2024-05-17 18:38:58,553 INFO [configure_runtime.py:176] {rank 0/64} __ __ ____ __ _______ / / / /_ __/ / /__ _________ _____ ______ / |/ / __ \ / /_/ / / / / / / _ \/ ___/ __ `/ __ `/ ___/ / /|_/ / / / / / __ / /_/ / / / __/ / / /_/ / /_/ (__ ) / / / / /_/ / /_/ /_/\__, /_/_/\___/_/ \__,_/\__,_/____/ /_/ /_/_____/ /____/ Version 2.1.0 PLEASE READ AND CITE THE REFERENCES BELOW: [1] Ledum, M.; Sen, S.; Li, X.; Carrer, M.; Feng Y.; Cascella, M.; Bore, S. L. HylleraasMD: A Domain Decomposition-Based Hybrid Particle-Field Software for Multi-Scale Simulations of Soft Matter. J. Chem. Theory Comput. 2023. [2] Ledum, M.; Carrer, M.; Sen, S.; Li, X.; Cascella, M.; Bore, S. L. HyMD: Massively parallel hybrid particle-field molecular dynamics in Python. J. Open Source Softw. 8(84), 4149, 2023. [3] Sen, S.; Ledum, M.; Bore, S. L.; Cascella, M. Soft Matter under Pressure: Pushing Particle–Field Molecular Dynamics to the Isobaric Ensemble. J Chem Inf Model 2023, 63(7), 1549-9596. [4] Bore, S. L.; Cascella, M. Hamiltonian and alias-free hybrid particle–field molecular dynamics. J. Chem. Phys. 2020, 153, 094106. [5] Pippig, M. PFFT: An extension of FFTW to massively parallel architectures. SIAM J. Sci. Comput. 2013, 35, C213–C236. 2024-05-17 18:38:58,554 INFO [configure_runtime.py:200] {rank 0/64} Attempting to parse config file out_tempseries_test/a=11.60/T=70/config.tomli as .toml 2024-05-17 18:38:58,555 INFO [configure_runtime.py:222] {rank 0/64} Successfully parsed out_tempseries_test/a=11.60/T=70/config.tomli as .toml file 2024-05-17 18:38:58,555 INFO [configure_runtime.py:226] {rank 0/64} Config: /cluster/work/jobs/901083/out_tempseries_test/a=11.60/T=70/config.tomli -------------------------------------------------- n_steps: 500000 time_step: 0.2 mesh_size: [376, 376, 376] sigma: 0 kappa: 1000000 dtype: None box_size: [15.08, 15.08, 15.08] n_print: 100 tau: 0.01 start_temperature: 70 target_temperature: 70 mass: 39.948 hamiltonian: DefaultWithChi domain_decomposition: None integrator: velocity-verlet respa_inner: 1 file_name: /cluster/work/jobs/901083/out_tempseries_test/a=11.60/T=70/config.tomli name: monoatomic fcc lattice tags: ['mono', 'crystal', 'lattice'] n_particles: 8788 max_molecule_size: 1 n_flush: 4 thermostat_work: 0.0 initial_energy: None cancel_com_momentum: False coulombtype: None convergence_type: None pol_mixing: None dielectric_const: None conv_crit: None dielectric_type: [] self_energy: None type_charges: [] rho0: None a: None pressure: False barostat: None barostat_type: None tau_p: None n_b: None m: [] filter: lj filter_param: [1.1508, 0.1028, -0.6886, 0.2152] command_line_full: /cluster/projects/nn4654k/cascella_group/new_mgcm/HyMD-dev/hymd/__main__.py out_tempseries_test/a=11.60/T=70/config.tomli out_tempseries_test/a=11.60/T=70/input.h5 --logfile=log.txt --verbose 2 --velocity-output --destdir out_tempseries_test/a=11.60/T=70 --disable-bonds target_pressure: P_L: None P_N: None bonds: angle_bonds: dihedrals: chi: H H: 1.0 2024-05-17 18:39:00,884 WARNING [input_parser.py:1152] {rank 0/64} config.n_b not specified.Defaulting to 1 2024-05-17 18:39:00,995 INFO [thermostat.py:36] {rank 0/64} Initialized 8788 velocities, target kinetic energy: 7672.086758154, actual kinetic energy generated: 7672.087383210182 2024-05-17 18:39:02,367 INFO [main.py:252]
{rank 0/64} pfft-python processor mesh: (8, 8) 2024-05-17 18:39:31,264 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 0 0 70 -26758 7672.1 -34430 -34430 9.5243e-05 0.00041907 -0.00038097 0 2024-05-17 18:39:31,264 INFO [main.py:766]
{rank 0/64} MD step = 1 2024-05-17 18:40:11,194 INFO [main.py:798]
{rank 0/64} MD step = 100 step time: 00:00:00.349250 Performance: 43.709 ns/day 0.549 hours/ns 2.529 steps/s 2024-05-17 18:40:31,613 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100 20 70.242 -27977 7698.6 -35676 -35676 0.0030478 -0.0010477 -0.00053336 131.8 2024-05-17 18:41:05,581 INFO [main.py:798]
{rank 0/64} MD step = 200 step time: 00:00:00.328900 Performance: 36.826 ns/day 0.652 hours/ns 2.131 steps/s 2024-05-17 18:41:21,902 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200 40 69.344 -27382 7600.2 -34982 -34982 0.006217 -0.001862 0.0013239 391.45 2024-05-17 18:41:57,252 INFO [main.py:798]
{rank 0/64} MD step = 300 step time: 00:00:00.380731 Performance: 35.628 ns/day 0.674 hours/ns 2.062 steps/s 2024-05-17 18:42:21,558 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300 60 70.255 -27283 7700 -34983 -34983 0.010877 -0.0030526 0.0010477 572.03 2024-05-17 18:43:01,912 INFO [main.py:798]
{rank 0/64} MD step = 400 step time: 00:00:00.354456 Performance: 32.895 ns/day 0.730 hours/ns 1.904 steps/s 2024-05-17 18:43:35,551 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400 80 70.358 -27662 7711.4 -35374 -35374 0.016515 -0.0055622 0.0028192 706.53 2024-05-17 18:44:09,968 INFO [main.py:798]
{rank 0/64} MD step = 500 step time: 00:00:00.341495 Performance: 31.063 ns/day 0.773 hours/ns 1.798 steps/s 2024-05-17 18:44:23,108 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 500 100 69.996 -27848 7671.7 -35519 -35519 0.019811 -0.0094101 0.003324 931.61 2024-05-17 18:44:57,090 INFO [main.py:798]
{rank 0/64} MD step = 600 step time: 00:00:00.341782 Performance: 31.874 ns/day 0.753 hours/ns 1.845 steps/s 2024-05-17 18:45:16,826 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 600 120 69.337 -28115 7599.4 -35715 -35715 0.023563 -0.013439 0.0031716 1091 2024-05-17 18:45:50,774 INFO [main.py:798]
{rank 0/64} MD step = 700 step time: 00:00:00.353993 Performance: 31.918 ns/day 0.752 hours/ns 1.847 steps/s 2024-05-17 18:46:03,164 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 700 140 70.356 -27907 7711.1 -35618 -35618 0.024535 -0.014115 0.0052765 1295 2024-05-17 18:46:38,228 INFO [main.py:798]
{rank 0/64} MD step = 800 step time: 00:00:00.349204 Performance: 32.418 ns/day 0.740 hours/ns 1.876 steps/s 2024-05-17 18:46:56,943 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 800 160 71.324 -27683 7817.2 -35500 -35500 0.027106 -0.016468 0.0050098 1486.2 2024-05-17 18:47:31,902 INFO [main.py:798]
{rank 0/64} MD step = 900 step time: 00:00:00.340868 Performance: 32.393 ns/day 0.741 hours/ns 1.875 steps/s 2024-05-17 18:48:01,379 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 900 180 69.792 -27815 7649.3 -35464 -35464 0.030411 -0.016382 0.0044193 1684.7 2024-05-17 18:48:39,271 INFO [main.py:798]
{rank 0/64} MD step = 1000 step time: 00:00:00.372223 Performance: 31.564 ns/day 0.760 hours/ns 1.827 steps/s 2024-05-17 18:48:55,923 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1000 200 70.51 -27855 7728 -35583 -35583 0.03303 -0.018763 0.0042479 1862.9 2024-05-17 18:49:31,675 INFO [main.py:798]
{rank 0/64} MD step = 1100 step time: 00:00:00.376036 Performance: 31.687 ns/day 0.757 hours/ns 1.834 steps/s 2024-05-17 18:49:40,234 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1100 220 70.512 -27966 7728.2 -35694 -35694 0.033916 -0.019734 0.0038859 2027.8 2024-05-17 18:50:14,745 INFO [main.py:798]
{rank 0/64} MD step = 1200 step time: 00:00:00.353167 Performance: 32.252 ns/day 0.744 hours/ns 1.866 steps/s 2024-05-17 18:50:25,176 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1200 240 69.15 -28154 7578.9 -35733 -35733 0.036421 -0.021144 0.0028192 2254.7 2024-05-17 18:51:03,841 INFO [main.py:798]
{rank 0/64} MD step = 1300 step time: 00:00:00.360746 Performance: 32.460 ns/day 0.739 hours/ns 1.878 steps/s 2024-05-17 18:51:49,400 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1300 260 69.655 -28166 7634.3 -35800 -35800 0.037088 -0.023278 0.0022192 2427.6 2024-05-17 18:52:23,937 INFO [main.py:798]
{rank 0/64} MD step = 1400 step time: 00:00:00.352092 Performance: 31.332 ns/day 0.766 hours/ns 1.813 steps/s 2024-05-17 18:52:51,074 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1400 280 70.709 -28074 7749.8 -35824 -35824 0.039993 -0.02383 0.0010096 2603.2 2024-05-17 18:53:25,181 INFO [main.py:798]
{rank 0/64} MD step = 1500 step time: 00:00:00.343430 Performance: 31.103 ns/day 0.772 hours/ns 1.800 steps/s 2024-05-17 18:53:40,388 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1500 300 70.342 -27997 7709.5 -35707 -35707 0.039145 -0.025544 0.0011143 2841.6 2024-05-17 18:54:14,845 INFO [main.py:798]
{rank 0/64} MD step = 1600 step time: 00:00:00.370998 Performance: 31.310 ns/day 0.767 hours/ns 1.812 steps/s 2024-05-17 18:54:36,067 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1600 320 69.247 -28183 7589.5 -35772 -35772 0.037793 -0.026116 0.0020382 3032.8 2024-05-17 18:55:11,002 INFO [main.py:798]
{rank 0/64} MD step = 1700 step time: 00:00:00.352357 Performance: 31.278 ns/day 0.767 hours/ns 1.810 steps/s 2024-05-17 18:55:59,563 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1700 340 71.58 -27968 7845.3 -35813 -35813 0.040193 -0.027916 0.002343 3204.1 2024-05-17 18:56:34,307 INFO [main.py:798]
{rank 0/64} MD step = 1800 step time: 00:00:00.330139 Performance: 30.420 ns/day 0.789 hours/ns 1.760 steps/s 2024-05-17 18:56:48,941 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1800 360 69.866 -28384 7657.3 -36041 -36041 0.04165 -0.029697 0.0025335 3391.9 2024-05-17 18:57:23,767 INFO [main.py:798]
{rank 0/64} MD step = 1900 step time: 00:00:00.328752 Performance: 30.629 ns/day 0.784 hours/ns 1.772 steps/s 2024-05-17 18:57:41,669 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1900 380 70.612 -28141 7739.2 -35880 -35880 0.042631 -0.030992 0.00041907 3592.6 2024-05-17 18:58:15,929 INFO [main.py:798]
{rank 0/64} MD step = 2000 step time: 00:00:00.329107 Performance: 30.745 ns/day 0.781 hours/ns 1.779 steps/s 2024-05-17 18:59:26,368 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2000 400 69.826 -28149 7653 -35802 -35802 0.045069 -0.032421 -0.000781 3798.6 2024-05-17 19:00:00,966 INFO [main.py:798]
{rank 0/64} MD step = 2100 step time: 00:00:00.354340 Performance: 29.524 ns/day 0.813 hours/ns 1.709 steps/s 2024-05-17 19:00:21,759 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2100 420 68.989 -28389 7561.3 -35950 -35950 0.047088 -0.034821 -0.0014667 3969.7 2024-05-17 19:00:56,308 INFO [main.py:798]
{rank 0/64} MD step = 2200 step time: 00:00:00.351673 Performance: 29.597 ns/day 0.811 hours/ns 1.713 steps/s 2024-05-17 19:01:01,820 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2200 440 70.727 -27858 7751.8 -35609 -35609 0.04966 -0.038593 -0.0030859 4218.1 2024-05-17 19:01:36,311 INFO [main.py:798]
{rank 0/64} MD step = 2300 step time: 00:00:00.345941 Performance: 30.007 ns/day 0.800 hours/ns 1.737 steps/s 2024-05-17 19:01:53,580 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2300 460 69.402 -28268 7606.6 -35874 -35874 0.052193 -0.038955 -0.0024001 4355.6 2024-05-17 19:02:28,114 INFO [main.py:798]
{rank 0/64} MD step = 2400 step time: 00:00:00.346062 Performance: 30.133 ns/day 0.796 hours/ns 1.744 steps/s 2024-05-17 19:02:57,358 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2400 480 70.18 -28239 7691.8 -35931 -35931 0.055965 -0.040717 -0.0032954 4533.1 2024-05-17 19:03:33,472 INFO [main.py:798]
{rank 0/64} MD step = 2500 step time: 00:00:00.354045 Performance: 29.966 ns/day 0.801 hours/ns 1.734 steps/s 2024-05-17 19:04:01,630 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2500 500 70.534 -28132 7730.6 -35863 -35863 0.059794 -0.043355 -0.0027287 4742 2024-05-17 19:04:36,816 INFO [main.py:798]
{rank 0/64} MD step = 2600 step time: 00:00:00.352547 Performance: 29.853 ns/day 0.804 hours/ns 1.728 steps/s 2024-05-17 19:05:14,409 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2600 520 70.145 -28368 7688 -36056 -36056 0.062727 -0.043602 -0.0012953 4911.6 2024-05-17 19:05:48,928 INFO [main.py:798]
{rank 0/64} MD step = 2700 step time: 00:00:00.356582 Performance: 29.584 ns/day 0.811 hours/ns 1.712 steps/s 2024-05-17 19:06:31,139 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2700 540 69.665 -28235 7635.4 -35870 -35870 0.064308 -0.045564 -0.0017525 5166.7 2024-05-17 19:07:07,155 INFO [main.py:798]
{rank 0/64} MD step = 2800 step time: 00:00:00.340458 Performance: 29.230 ns/day 0.821 hours/ns 1.692 steps/s 2024-05-17 19:07:19,450 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2800 560 69.679 -28256 7636.9 -35893 -35893 0.066794 -0.047317 -0.0017334 5323.4 2024-05-17 19:08:20,171 INFO [main.py:798]
{rank 0/64} MD step = 2900 step time: 00:00:00.338556 Performance: 28.995 ns/day 0.828 hours/ns 1.678 steps/s 2024-05-17 19:09:18,082 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2900 580 69.916 -28189 7662.9 -35852 -35852 0.068347 -0.049898 -0.0019239 5575 2024-05-17 19:09:52,464 INFO [main.py:798]
{rank 0/64} MD step = 3000 step time: 00:00:00.341220 Performance: 28.474 ns/day 0.843 hours/ns 1.648 steps/s 2024-05-17 19:10:50,972 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3000 600 70.306 -28280 7705.6 -35986 -35986 0.070747 -0.051889 -0.0043241 5676.2 2024-05-17 19:11:28,379 INFO [main.py:798]
{rank 0/64} MD step = 3100 step time: 00:00:00.349619 Performance: 27.951 ns/day 0.859 hours/ns 1.618 steps/s 2024-05-17 19:11:50,169 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3100 620 69.811 -28320 7651.3 -35971 -35971 0.071795 -0.053203 -0.0048003 5866.6 2024-05-17 19:12:26,349 INFO [main.py:798]
{rank 0/64} MD step = 3200 step time: 00:00:00.345857 Performance: 28.006 ns/day 0.857 hours/ns 1.621 steps/s 2024-05-17 19:12:36,327 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3200 640 69.759 -28276 7645.7 -35922 -35922 0.075642 -0.053794 -0.003505 6080.4 2024-05-17 19:13:10,621 INFO [main.py:798]
{rank 0/64} MD step = 3300 step time: 00:00:00.349606 Performance: 28.247 ns/day 0.850 hours/ns 1.635 steps/s 2024-05-17 19:13:35,515 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3300 660 70.124 -28246 7685.7 -35932 -35932 0.07829 -0.055308 -0.0046288 6255.4 2024-05-17 19:14:15,469 INFO [main.py:798]
{rank 0/64} MD step = 3400 step time: 00:00:00.342318 Performance: 28.197 ns/day 0.851 hours/ns 1.632 steps/s 2024-05-17 19:15:53,322 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3400 680 70.687 -28255 7747.3 -36003 -36003 0.081433 -0.058175 -0.0038478 6469.8 2024-05-17 19:16:27,661 INFO [main.py:798]
{rank 0/64} MD step = 3500 step time: 00:00:00.349606 Performance: 27.295 ns/day 0.879 hours/ns 1.580 steps/s 2024-05-17 19:16:39,633 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3500 700 69.768 -28370 7646.7 -36017 -36017 0.083795 -0.060118 -0.0036573 6645.7 2024-05-17 19:17:27,798 INFO [main.py:798]
{rank 0/64} MD step = 3600 step time: 00:00:00.350386 Performance: 27.333 ns/day 0.878 hours/ns 1.582 steps/s 2024-05-17 19:18:02,498 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3600 720 69.501 -28483 7617.4 -36100 -36100 0.086329 -0.061908 -0.0026763 6827.6 2024-05-17 19:18:37,407 INFO [main.py:798]
{rank 0/64} MD step = 3700 step time: 00:00:00.352580 Performance: 27.259 ns/day 0.880 hours/ns 1.577 steps/s 2024-05-17 19:19:15,380 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3700 740 70.578 -28198 7735.4 -35933 -35933 0.088443 -0.063413 -0.0010382 7053 2024-05-17 19:19:49,985 INFO [main.py:798]
{rank 0/64} MD step = 3800 step time: 00:00:00.344938 Performance: 27.155 ns/day 0.884 hours/ns 1.571 steps/s 2024-05-17 19:20:20,470 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3800 760 69.117 -28138 7575.3 -35714 -35714 0.089948 -0.066085 -0.00076195 7261.3 2024-05-17 19:20:54,998 INFO [main.py:798]
{rank 0/64} MD step = 3900 step time: 00:00:00.358002 Performance: 27.140 ns/day 0.884 hours/ns 1.571 steps/s 2024-05-17 19:21:11,313 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3900 780 70.018 -28023 7674.1 -35697 -35697 0.092177 -0.068423 3.8097e-05 7439.1 2024-05-17 19:22:03,379 INFO [main.py:798]
{rank 0/64} MD step = 4000 step time: 00:00:00.351360 Performance: 27.090 ns/day 0.886 hours/ns 1.568 steps/s 2024-05-17 19:22:13,121 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4000 800 68.988 -28359 7561.2 -35920 -35920 0.094958 -0.070194 -0.0014858 7584.2 2024-05-17 19:22:48,957 INFO [main.py:798]
{rank 0/64} MD step = 4100 step time: 00:00:00.374058 Performance: 27.280 ns/day 0.880 hours/ns 1.579 steps/s 2024-05-17 19:22:59,095 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4100 820 70.37 -28296 7712.6 -36009 -36009 0.098367 -0.07129 -0.0024954 7803 2024-05-17 19:23:34,458 INFO [main.py:798]
{rank 0/64} MD step = 4200 step time: 00:00:00.356563 Performance: 27.464 ns/day 0.874 hours/ns 1.589 steps/s 2024-05-17 19:23:54,786 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4200 840 69.435 -28286 7610.1 -35896 -35896 0.10202 -0.072214 -0.001562 8021.7 2024-05-17 19:24:28,762 INFO [main.py:798]
{rank 0/64} MD step = 4300 step time: 00:00:00.327920 Performance: 27.552 ns/day 0.871 hours/ns 1.594 steps/s 2024-05-17 19:24:35,408 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4300 860 70.427 -28302 7718.9 -36021 -36021 0.10541 -0.072659 -0.0030478 8182.7 2024-05-17 19:25:10,563 INFO [main.py:798]
{rank 0/64} MD step = 4400 step time: 00:00:00.359609 Performance: 27.762 ns/day 0.864 hours/ns 1.607 steps/s 2024-05-17 19:25:24,779 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4400 880 70.454 -28158 7721.9 -35880 -35880 0.10809 -0.072499 -0.0021716 8412.5 2024-05-17 19:25:59,103 INFO [main.py:798]
{rank 0/64} MD step = 4500 step time: 00:00:00.345370 Performance: 27.899 ns/day 0.860 hours/ns 1.615 steps/s 2024-05-17 19:26:20,671 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4500 900 69.645 -28254 7633.2 -35887 -35887 0.1117 -0.075985 -0.0023811 8586.7 2024-05-17 19:26:55,424 INFO [main.py:798]
{rank 0/64} MD step = 4600 step time: 00:00:00.353425 Performance: 27.954 ns/day 0.859 hours/ns 1.618 steps/s 2024-05-17 19:27:24,628 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4600 920 69.219 -28271 7586.5 -35857 -35857 0.11376 -0.077185 -0.0012572 8775.9 2024-05-17 19:27:59,508 INFO [main.py:798]
{rank 0/64} MD step = 4700 step time: 00:00:00.437899 Performance: 27.932 ns/day 0.859 hours/ns 1.616 steps/s 2024-05-17 19:28:03,998 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4700 940 70.218 -28306 7696 -36002 -36002 0.11651 -0.078652 -0.0032764 8922.3 2024-05-17 19:28:40,883 INFO [main.py:798]
{rank 0/64} MD step = 4800 step time: 00:00:00.378001 Performance: 28.126 ns/day 0.853 hours/ns 1.628 steps/s 2024-05-17 19:28:50,579 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4800 960 69.227 -28541 7587.4 -36128 -36128 0.11938 -0.08149 -0.0043431 9110.6 2024-05-17 19:29:25,184 INFO [main.py:798]
{rank 0/64} MD step = 4900 step time: 00:00:00.357763 Performance: 28.287 ns/day 0.848 hours/ns 1.637 steps/s 2024-05-17 19:29:40,071 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4900 980 70.239 -28507 7698.3 -36205 -36205 0.1237 -0.082862 -0.0018668 9271.8 2024-05-17 19:30:14,100 INFO [main.py:798]
{rank 0/64} MD step = 5000 step time: 00:00:00.343577 Performance: 28.400 ns/day 0.845 hours/ns 1.644 steps/s 2024-05-17 19:30:31,324 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5000 1000 69.404 -28481 7606.7 -36088 -36088 0.12831 -0.085262 -0.0034097 9502.9 2024-05-17 19:31:14,451 INFO [main.py:798]
{rank 0/64} MD step = 5100 step time: 00:00:00.353343 Performance: 28.405 ns/day 0.845 hours/ns 1.644 steps/s 2024-05-17 19:31:24,325 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5100 1020 69.358 -28550 7601.7 -36152 -36152 0.13281 -0.086367 -0.0044002 9687.4 2024-05-17 19:32:00,319 INFO [main.py:798]
{rank 0/64} MD step = 5200 step time: 00:00:00.377268 Performance: 28.540 ns/day 0.841 hours/ns 1.652 steps/s 2024-05-17 19:32:31,744 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5200 1040 70.309 -28414 7706 -36120 -36120 0.13757 -0.087224 -0.0055432 9888.2 2024-05-17 19:33:05,600 INFO [main.py:798]
{rank 0/64} MD step = 5300 step time: 00:00:00.346558 Performance: 28.498 ns/day 0.842 hours/ns 1.649 steps/s 2024-05-17 19:33:15,208 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5300 1060 70.646 -28533 7742.9 -36276 -36276 0.14056 -0.090424 -0.0052193 10040 2024-05-17 19:33:49,407 INFO [main.py:798]
{rank 0/64} MD step = 5400 step time: 00:00:00.343371 Performance: 28.645 ns/day 0.838 hours/ns 1.658 steps/s 2024-05-17 19:33:56,979 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5400 1080 69.903 -28515 7661.5 -36176 -36176 0.14295 -0.092843 -0.0041717 10213 2024-05-17 19:34:31,578 INFO [main.py:798]
{rank 0/64} MD step = 5500 step time: 00:00:00.354598 Performance: 28.803 ns/day 0.833 hours/ns 1.667 steps/s 2024-05-17 19:34:46,157 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5500 1100 69.87 -28499 7657.8 -36157 -36157 0.14685 -0.094586 -0.0035716 10385 2024-05-17 19:35:20,801 INFO [main.py:798]
{rank 0/64} MD step = 5600 step time: 00:00:00.368057 Performance: 28.895 ns/day 0.831 hours/ns 1.672 steps/s 2024-05-17 19:35:39,433 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5600 1120 69.87 -28402 7657.9 -36059 -36059 0.14943 -0.096463 -0.0023049 10611 2024-05-17 19:36:13,916 INFO [main.py:798]
{rank 0/64} MD step = 5700 step time: 00:00:00.327473 Performance: 28.952 ns/day 0.829 hours/ns 1.675 steps/s 2024-05-17 19:36:40,860 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5700 1140 70.574 -28351 7735 -36086 -36086 0.15226 -0.098482 -0.0024382 10825 2024-05-17 19:37:15,479 INFO [main.py:798]
{rank 0/64} MD step = 5800 step time: 00:00:00.354210 Performance: 28.936 ns/day 0.829 hours/ns 1.675 steps/s 2024-05-17 19:38:00,209 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5800 1160 71.614 -28294 7849 -36143 -36143 0.15456 -0.098401 -0.0018668 10999 2024-05-17 19:38:34,922 INFO [main.py:798]
{rank 0/64} MD step = 5900 step time: 00:00:00.358328 Performance: 28.775 ns/day 0.834 hours/ns 1.665 steps/s 2024-05-17 19:38:53,143 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5900 1180 70.356 -28374 7711.1 -36086 -36086 0.15744 -0.10004 -0.0014287 11193 2024-05-17 19:39:26,649 INFO [main.py:798]
{rank 0/64} MD step = 6000 step time: 00:00:00.349433 Performance: 28.842 ns/day 0.832 hours/ns 1.669 steps/s 2024-05-17 19:40:25,727 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6000 1200 69.853 -28599 7656 -36255 -36255 0.16126 -0.10286 -0.0021335 11351 2024-05-17 19:40:59,916 INFO [main.py:798]
{rank 0/64} MD step = 6100 step time: 00:00:00.351534 Performance: 28.581 ns/day 0.840 hours/ns 1.654 steps/s 2024-05-17 19:41:51,457 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6100 1220 69.28 -28696 7593.1 -36289 -36289 0.16286 -0.10482 -0.0036193 11540 2024-05-17 19:43:07,594 INFO [main.py:798]
{rank 0/64} MD step = 6200 step time: 00:00:00.344245 Performance: 28.078 ns/day 0.855 hours/ns 1.625 steps/s 2024-05-17 19:43:23,700 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6200 1240 71.043 -28496 7786.4 -36282 -36282 0.16565 -0.10603 -0.0045717 11777 2024-05-17 19:43:57,845 INFO [main.py:798]
{rank 0/64} MD step = 6300 step time: 00:00:00.353737 Performance: 28.160 ns/day 0.852 hours/ns 1.630 steps/s 2024-05-17 19:44:21,686 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6300 1260 70.46 -28486 7722.5 -36208 -36208 0.16923 -0.10801 -0.0042479 11966 2024-05-17 19:44:56,676 INFO [main.py:798]
{rank 0/64} MD step = 6400 step time: 00:00:00.326677 Performance: 28.178 ns/day 0.852 hours/ns 1.631 steps/s 2024-05-17 19:45:11,642 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6400 1280 70.338 -28471 7709.2 -36181 -36181 0.17304 -0.10951 -0.0044955 12145 2024-05-17 19:45:46,221 INFO [main.py:798]
{rank 0/64} MD step = 6500 step time: 00:00:00.350946 Performance: 28.261 ns/day 0.849 hours/ns 1.635 steps/s 2024-05-17 19:46:04,905 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6500 1300 69.312 -28775 7596.6 -36372 -36372 0.17757 -0.11154 -0.0047622 12289 2024-05-17 19:46:40,404 INFO [main.py:798]
{rank 0/64} MD step = 6600 step time: 00:00:00.354103 Performance: 28.310 ns/day 0.848 hours/ns 1.638 steps/s 2024-05-17 19:46:55,751 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6600 1320 70.37 -28399 7712.6 -36112 -36112 0.18161 -0.11272 -0.0050146 12557 2024-05-17 19:47:30,389 INFO [main.py:798]
{rank 0/64} MD step = 6700 step time: 00:00:00.349965 Performance: 28.387 ns/day 0.845 hours/ns 1.643 steps/s 2024-05-17 19:47:40,372 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6700 1340 69.609 -28652 7629.3 -36281 -36281 0.18447 -0.11401 -0.0033335 12696 2024-05-17 19:48:22,338 INFO [main.py:798]
{rank 0/64} MD step = 6800 step time: 00:00:00.353325 Performance: 28.448 ns/day 0.844 hours/ns 1.646 steps/s 2024-05-17 19:48:36,509 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6800 1360 69.859 -28600 7656.6 -36257 -36257 0.18833 -0.11507 -0.0049622 12914 2024-05-17 19:49:11,035 INFO [main.py:798]
{rank 0/64} MD step = 6900 step time: 00:00:00.352548 Performance: 28.530 ns/day 0.841 hours/ns 1.651 steps/s 2024-05-17 19:49:16,466 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6900 1380 70.363 -28450 7711.8 -36161 -36161 0.19321 -0.11513 -0.0039621 13123 2024-05-17 19:49:51,309 INFO [main.py:798]
{rank 0/64} MD step = 7000 step time: 00:00:00.358982 Performance: 28.667 ns/day 0.837 hours/ns 1.659 steps/s 2024-05-17 19:49:59,070 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7000 1400 70.812 -28535 7761.1 -36296 -36296 0.19507 -0.11761 -0.0043622 13281 2024-05-17 19:50:33,586 INFO [main.py:798]
{rank 0/64} MD step = 7100 step time: 00:00:00.353083 Performance: 28.788 ns/day 0.834 hours/ns 1.666 steps/s 2024-05-17 19:50:43,756 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7100 1420 70.784 -28321 7758 -36079 -36079 0.19629 -0.11975 -0.0067813 13498 2024-05-17 19:51:18,554 INFO [main.py:798]
{rank 0/64} MD step = 7200 step time: 00:00:00.338552 Performance: 28.889 ns/day 0.831 hours/ns 1.672 steps/s 2024-05-17 19:51:32,907 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7200 1440 70.327 -28353 7707.9 -36060 -36060 0.19955 -0.12227 -0.006348 13631 2024-05-17 19:52:07,675 INFO [main.py:798]
{rank 0/64} MD step = 7300 step time: 00:00:00.346715 Performance: 28.960 ns/day 0.829 hours/ns 1.676 steps/s 2024-05-17 19:52:45,760 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7300 1460 69.677 -28478 7636.7 -36115 -36115 0.20205 -0.1241 -0.0048193 13845 2024-05-17 19:53:21,028 INFO [main.py:798]
{rank 0/64} MD step = 7400 step time: 00:00:00.360008 Performance: 28.870 ns/day 0.831 hours/ns 1.671 steps/s 2024-05-17 19:53:35,689 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7400 1480 70.02 -28685 7674.3 -36359 -36359 0.20359 -0.12551 -0.0064956 14028 2024-05-17 19:54:10,661 INFO [main.py:798]
{rank 0/64} MD step = 7500 step time: 00:00:00.357126 Performance: 28.936 ns/day 0.829 hours/ns 1.675 steps/s 2024-05-17 19:54:35,724 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7500 1500 71.036 -28511 7785.6 -36296 -36296 0.20571 -0.12868 -0.0075433 14185 2024-05-17 19:55:10,186 INFO [main.py:798]
{rank 0/64} MD step = 7600 step time: 00:00:00.352457 Performance: 28.938 ns/day 0.829 hours/ns 1.675 steps/s 2024-05-17 19:55:45,318 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7600 1520 70.275 -28528 7702.2 -36230 -36230 0.20797 -0.13018 -0.0086195 14363 2024-05-17 19:56:20,230 INFO [main.py:798]
{rank 0/64} MD step = 7700 step time: 00:00:00.326629 Performance: 28.873 ns/day 0.831 hours/ns 1.671 steps/s 2024-05-17 19:56:40,466 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7700 1540 70.241 -28571 7698.5 -36269 -36269 0.21032 -0.13311 -0.010105 14564 2024-05-17 19:57:14,458 INFO [main.py:798]
{rank 0/64} MD step = 7800 step time: 00:00:00.338807 Performance: 28.908 ns/day 0.830 hours/ns 1.673 steps/s 2024-05-17 19:57:31,785 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7800 1560 70.523 -28460 7729.4 -36189 -36189 0.21144 -0.13495 -0.010115 14776 2024-05-17 19:58:07,561 INFO [main.py:798]
{rank 0/64} MD step = 7900 step time: 00:00:00.372662 Performance: 28.948 ns/day 0.829 hours/ns 1.675 steps/s 2024-05-17 19:58:14,964 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7900 1580 69.698 -28532 7639 -36171 -36171 0.21342 -0.13681 -0.00901 14947 2024-05-17 19:58:50,704 INFO [main.py:798]
{rank 0/64} MD step = 8000 step time: 00:00:00.351027 Performance: 29.049 ns/day 0.826 hours/ns 1.681 steps/s 2024-05-17 19:59:02,509 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8000 1600 68.397 -28769 7496.4 -36265 -36265 0.21534 -0.13639 -0.0097148 15151 2024-05-17 19:59:37,250 INFO [main.py:798]
{rank 0/64} MD step = 8100 step time: 00:00:00.352739 Performance: 29.127 ns/day 0.824 hours/ns 1.686 steps/s 2024-05-17 19:59:44,794 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8100 1620 71.064 -28414 7788.7 -36203 -36203 0.21738 -0.13827 -0.011186 15346 2024-05-17 20:00:19,357 INFO [main.py:798]
{rank 0/64} MD step = 8200 step time: 00:00:00.349661 Performance: 29.231 ns/day 0.821 hours/ns 1.692 steps/s 2024-05-17 20:00:37,945 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8200 1640 69.957 -28540 7667.3 -36207 -36207 0.21895 -0.14041 -0.012667 15527 2024-05-17 20:01:12,503 INFO [main.py:798]
{rank 0/64} MD step = 8300 step time: 00:00:00.326556 Performance: 29.266 ns/day 0.820 hours/ns 1.694 steps/s 2024-05-17 20:01:29,677 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8300 1660 70.28 -28443 7702.8 -36145 -36145 0.22236 -0.14317 -0.010782 15686 2024-05-17 20:02:04,594 INFO [main.py:798]
{rank 0/64} MD step = 8400 step time: 00:00:00.354675 Performance: 29.307 ns/day 0.819 hours/ns 1.696 steps/s 2024-05-17 20:02:20,306 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8400 1680 71.223 -28209 7806.1 -36015 -36015 0.22514 -0.14378 -0.011458 15908 2024-05-17 20:02:54,662 INFO [main.py:798]
{rank 0/64} MD step = 8500 step time: 00:00:00.351241 Performance: 29.360 ns/day 0.817 hours/ns 1.699 steps/s 2024-05-17 20:03:03,800 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8500 1700 71.396 -28297 7825.1 -36122 -36122 0.22893 -0.14537 -0.010639 16075 2024-05-17 20:03:37,945 INFO [main.py:798]
{rank 0/64} MD step = 8600 step time: 00:00:00.345310 Performance: 29.450 ns/day 0.815 hours/ns 1.704 steps/s 2024-05-17 20:05:10,045 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8600 1720 69.622 -28456 7630.7 -36087 -36087 0.23133 -0.14812 -0.0093529 16261 2024-05-17 20:05:46,851 INFO [main.py:798]
{rank 0/64} MD step = 8700 step time: 00:00:00.368033 Performance: 29.050 ns/day 0.826 hours/ns 1.681 steps/s 2024-05-17 20:06:14,176 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8700 1740 69.332 -28612 7598.8 -36211 -36211 0.23497 -0.15111 -0.0092577 16441 2024-05-17 20:06:49,014 INFO [main.py:798]
{rank 0/64} MD step = 8800 step time: 00:00:00.350882 Performance: 29.036 ns/day 0.827 hours/ns 1.680 steps/s 2024-05-17 20:07:16,757 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8800 1760 70.153 -28462 7688.9 -36151 -36151 0.23765 -0.15338 -0.010048 16611 2024-05-17 20:07:51,301 INFO [main.py:798]
{rank 0/64} MD step = 8900 step time: 00:00:00.339219 Performance: 29.020 ns/day 0.827 hours/ns 1.679 steps/s 2024-05-17 20:08:09,742 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8900 1780 70.344 -28424 7709.7 -36134 -36134 0.24026 -0.15488 -0.0094101 16807 2024-05-17 20:08:47,133 INFO [main.py:798]
{rank 0/64} MD step = 9000 step time: 00:00:00.365885 Performance: 29.041 ns/day 0.826 hours/ns 1.681 steps/s 2024-05-17 20:10:07,457 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 9000 1800 70.314 -28282 7706.5 -35988 -35988 0.24189 -0.15687 -0.0093339 16998 2024-05-17 20:10:42,479 INFO [main.py:798]
{rank 0/64} MD step = 9100 step time: 00:00:00.350720 Performance: 28.744 ns/day 0.835 hours/ns 1.663 steps/s 2024-05-17 20:11:16,073 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 9100 1820 70.218 -28349 7695.9 -36045 -36045 0.24405 -0.1587 -0.009772 17207 2024-05-17 20:11:57,278 INFO [main.py:798]
{rank 0/64} MD step = 9200 step time: 00:00:00.348398 Performance: 28.668 ns/day 0.837 hours/ns 1.659 steps/s 2024-05-17 20:12:45,112 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 9200 1840 70.372 -28504 7712.8 -36217 -36217 0.24834 -0.15989 -0.010782 17386 2024-05-17 20:13:20,527 INFO [main.py:798]
{rank 0/64} MD step = 9300 step time: 00:00:00.344957 Performance: 28.551 ns/day 0.841 hours/ns 1.652 steps/s 2024-05-17 20:13:42,850 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 9300 1860 70.683 -28518 7747 -36265 -36265 0.2504 -0.16195 -0.010448 17586 2024-05-17 20:14:26,312 INFO [main.py:798]
{rank 0/64} MD step = 9400 step time: 00:00:00.350192 Performance: 28.525 ns/day 0.841 hours/ns 1.651 steps/s 2024-05-17 20:15:15,029 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 9400 1880 70.055 -28552 7678.1 -36230 -36230 0.25466 -0.16372 -0.011382 17765 2024-05-17 20:15:48,720 INFO [main.py:798]
{rank 0/64} MD step = 9500 step time: 00:00:00.335860 Performance: 28.417 ns/day 0.845 hours/ns 1.644 steps/s 2024-05-17 20:16:22,785 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 9500 1900 70.815 -28303 7761.4 -36065 -36065 0.25543 -0.16622 -0.011744 17999 2024-05-17 20:16:57,721 INFO [main.py:798]
{rank 0/64} MD step = 9600 step time: 00:00:00.348496 Performance: 28.377 ns/day 0.846 hours/ns 1.642 steps/s 2024-05-17 20:17:23,997 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 9600 1920 71.045 -28361 7786.6 -36148 -36148 0.25845 -0.16845 -0.012639 18167 2024-05-17 20:17:58,722 INFO [main.py:798]
{rank 0/64} MD step = 9700 step time: 00:00:00.325605 Performance: 28.377 ns/day 0.846 hours/ns 1.642 steps/s 2024-05-17 20:18:38,611 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 9700 1940 70.749 -28277 7754.1 -36031 -36031 0.2611 -0.17075 -0.01521 18394 2024-05-17 20:19:18,430 INFO [main.py:798]
{rank 0/64} MD step = 9800 step time: 00:00:00.325702 Performance: 28.287 ns/day 0.848 hours/ns 1.637 steps/s 2024-05-17 20:20:07,015 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 9800 1960 70.33 -28562 7708.3 -36270 -36270 0.26129 -0.17262 -0.015225 18544 2024-05-17 20:20:41,334 INFO [main.py:798]
{rank 0/64} MD step = 9900 step time: 00:00:00.350356 Performance: 28.186 ns/day 0.851 hours/ns 1.631 steps/s 2024-05-17 20:21:37,979 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 9900 1980 70.627 -28434 7740.8 -36175 -36175 0.26493 -0.17416 -0.016772 18750 2024-05-17 20:22:15,942 INFO [main.py:798]
{rank 0/64} MD step = 10000 step time: 00:00:00.338634 Performance: 28.033 ns/day 0.856 hours/ns 1.622 steps/s 2024-05-17 20:23:34,835 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 10000 2000 69.614 -28497 7629.8 -36127 -36127 0.26965 -0.17637 -0.017411 18947 2024-05-17 20:24:09,040 INFO [main.py:798]
{rank 0/64} MD step = 10100 step time: 00:00:00.347625 Performance: 27.804 ns/day 0.863 hours/ns 1.609 steps/s 2024-05-17 20:24:23,658 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 10100 2020 69.49 -28639 7616.2 -36255 -36255 0.27541 -0.17834 -0.016496 19109 2024-05-17 20:24:58,294 INFO [main.py:798]
{rank 0/64} MD step = 10200 step time: 00:00:00.352782 Performance: 27.860 ns/day 0.861 hours/ns 1.612 steps/s 2024-05-17 20:25:21,800 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 10200 2040 69.697 -28439 7638.9 -36078 -36078 0.27971 -0.17973 -0.017287 19297 2024-05-17 20:25:56,589 INFO [main.py:798]
{rank 0/64} MD step = 10300 step time: 00:00:00.330701 Performance: 27.877 ns/day 0.861 hours/ns 1.613 steps/s 2024-05-17 20:26:19,227 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 10300 2060 69.243 -28511 7589.1 -36100 -36100 0.28356 -0.18241 -0.019468 19492 2024-05-17 20:26:54,583 INFO [main.py:798]
{rank 0/64} MD step = 10400 step time: 00:00:00.350722 Performance: 27.894 ns/day 0.860 hours/ns 1.614 steps/s 2024-05-17 20:27:17,509 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 10400 2080 69.451 -28599 7612 -36211 -36211 0.28663 -0.18485 -0.019544 19649 2024-05-17 20:27:51,969 INFO [main.py:798]
{rank 0/64} MD step = 10500 step time: 00:00:00.350106 Performance: 27.913 ns/day 0.860 hours/ns 1.615 steps/s 2024-05-17 20:28:06,306 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 10500 2100 69.807 -28410 7651 -36061 -36061 0.29084 -0.1874 -0.018772 19884 2024-05-17 20:28:40,878 INFO [main.py:798]
{rank 0/64} MD step = 10600 step time: 00:00:00.350918 Performance: 27.969 ns/day 0.858 hours/ns 1.619 steps/s 2024-05-17 20:28:51,024 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 10600 2120 68.28 -28495 7483.5 -35978 -35978 0.29316 -0.1902 -0.018477 20074 2024-05-17 20:29:25,373 INFO [main.py:798]
{rank 0/64} MD step = 10700 step time: 00:00:00.338647 Performance: 28.042 ns/day 0.856 hours/ns 1.623 steps/s 2024-05-17 20:29:36,326 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 10700 2140 70.219 -28557 7696 -36253 -36253 0.2975 -0.19105 -0.019573 20208 2024-05-17 20:30:10,582 INFO [main.py:798]
{rank 0/64} MD step = 10800 step time: 00:00:00.339521 Performance: 28.112 ns/day 0.854 hours/ns 1.627 steps/s 2024-05-17 20:30:24,363 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 10800 2160 71.576 -28293 7844.8 -36138 -36138 0.30186 -0.19302 -0.020096 20397 2024-05-17 20:30:58,964 INFO [main.py:798]
{rank 0/64} MD step = 10900 step time: 00:00:00.351428 Performance: 28.167 ns/day 0.852 hours/ns 1.630 steps/s 2024-05-17 20:31:13,874 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 10900 2180 70.177 -28336 7691.5 -36027 -36027 0.30527 -0.1956 -0.018801 20581 2024-05-17 20:31:48,180 INFO [main.py:798]
{rank 0/64} MD step = 11000 step time: 00:00:00.336992 Performance: 28.217 ns/day 0.851 hours/ns 1.633 steps/s 2024-05-17 20:31:54,274 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 11000 2200 69.344 -28536 7600.2 -36136 -36136 0.30884 -0.1986 -0.018134 20800 2024-05-17 20:32:30,847 INFO [main.py:798]
{rank 0/64} MD step = 11100 step time: 00:00:00.363105 Performance: 28.295 ns/day 0.848 hours/ns 1.637 steps/s 2024-05-17 20:32:38,637 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 11100 2220 68.716 -28506 7531.4 -36038 -36038 0.31258 -0.20018 -0.018325 20965 2024-05-17 20:33:14,068 INFO [main.py:798]
{rank 0/64} MD step = 11200 step time: 00:00:00.356019 Performance: 28.369 ns/day 0.846 hours/ns 1.642 steps/s 2024-05-17 20:33:28,725 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 11200 2240 70.934 -28479 7774.4 -36253 -36253 0.31691 -0.20197 -0.018325 21133 2024-05-17 20:34:02,777 INFO [main.py:798]
{rank 0/64} MD step = 11300 step time: 00:00:00.326130 Performance: 28.419 ns/day 0.845 hours/ns 1.645 steps/s 2024-05-17 20:34:36,102 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 11300 2260 70.388 -28345 7714.7 -36060 -36060 0.31971 -0.20439 -0.01792 21328 2024-05-17 20:35:10,124 INFO [main.py:798]
{rank 0/64} MD step = 11400 step time: 00:00:00.345457 Performance: 28.392 ns/day 0.845 hours/ns 1.643 steps/s 2024-05-17 20:35:45,054 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 11400 2280 70.108 -28307 7683.9 -35991 -35991 0.32461 -0.20684 -0.017839 21528 2024-05-17 20:36:20,078 INFO [main.py:798]
{rank 0/64} MD step = 11500 step time: 00:00:00.356190 Performance: 28.355 ns/day 0.846 hours/ns 1.641 steps/s 2024-05-17 20:36:31,313 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 11500 2300 70.552 -28565 7732.6 -36298 -36298 0.32829 -0.20855 -0.017106 21693 2024-05-17 20:37:07,585 INFO [main.py:798]
{rank 0/64} MD step = 11600 step time: 00:00:00.327341 Performance: 28.409 ns/day 0.845 hours/ns 1.644 steps/s 2024-05-17 20:37:21,176 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 11600 2320 70.125 -28588 7685.7 -36273 -36273 0.32947 -0.21118 -0.019287 21899 2024-05-17 20:37:55,520 INFO [main.py:798]
{rank 0/64} MD step = 11700 step time: 00:00:00.332180 Performance: 28.461 ns/day 0.843 hours/ns 1.647 steps/s 2024-05-17 20:38:22,059 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 11700 2340 70.536 -28437 7730.9 -36168 -36168 0.33253 -0.21247 -0.019173 22109 2024-05-17 20:38:58,375 INFO [main.py:798]
{rank 0/64} MD step = 11800 step time: 00:00:00.350552 Performance: 28.452 ns/day 0.844 hours/ns 1.647 steps/s 2024-05-17 20:39:34,559 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 11800 2360 69.596 -28577 7627.9 -36205 -36205 0.33539 -0.21536 -0.020192 22274 2024-05-17 20:40:09,073 INFO [main.py:798]
{rank 0/64} MD step = 11900 step time: 00:00:00.349221 Performance: 28.413 ns/day 0.845 hours/ns 1.644 steps/s 2024-05-17 20:40:20,676 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 11900 2380 70.451 -28463 7721.5 -36185 -36185 0.33967 -0.21765 -0.021868 22494 2024-05-17 20:40:55,294 INFO [main.py:798]
{rank 0/64} MD step = 12000 step time: 00:00:00.350707 Performance: 28.470 ns/day 0.843 hours/ns 1.648 steps/s 2024-05-17 20:42:02,480 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12000 2400 69.301 -28742 7595.4 -36337 -36337 0.34333 -0.21927 -0.021411 22667 2024-05-17 20:42:37,711 INFO [main.py:798]
{rank 0/64} MD step = 12100 step time: 00:00:00.348158 Performance: 28.309 ns/day 0.848 hours/ns 1.638 steps/s 2024-05-17 20:42:55,718 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12100 2420 69.886 -28516 7659.6 -36176 -36176 0.34602 -0.22228 -0.021163 22892 2024-05-17 20:43:30,249 INFO [main.py:798]
{rank 0/64} MD step = 12200 step time: 00:00:00.348196 Performance: 28.342 ns/day 0.847 hours/ns 1.640 steps/s 2024-05-17 20:43:43,784 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12200 2440 69.417 -28645 7608.2 -36253 -36253 0.34995 -0.22485 -0.021735 23069 2024-05-17 20:44:18,719 INFO [main.py:798]
{rank 0/64} MD step = 12300 step time: 00:00:00.325246 Performance: 28.389 ns/day 0.845 hours/ns 1.643 steps/s 2024-05-17 20:44:51,578 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12300 2460 69.239 -28543 7588.6 -36132 -36132 0.35392 -0.22664 -0.021087 23293 2024-05-17 20:45:25,786 INFO [main.py:798]
{rank 0/64} MD step = 12400 step time: 00:00:00.351188 Performance: 28.366 ns/day 0.846 hours/ns 1.642 steps/s 2024-05-17 20:46:08,101 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12400 2480 70.835 -28556 7763.6 -36319 -36319 0.35867 -0.22845 -0.022554 23466 2024-05-17 20:46:44,543 INFO [main.py:798]
{rank 0/64} MD step = 12500 step time: 00:00:00.349041 Performance: 28.299 ns/day 0.848 hours/ns 1.638 steps/s 2024-05-17 20:47:21,892 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12500 2500 70.247 -28447 7699.2 -36146 -36146 0.36217 -0.23216 -0.023354 23713 2024-05-17 20:47:56,179 INFO [main.py:798]
{rank 0/64} MD step = 12600 step time: 00:00:00.348853 Performance: 28.261 ns/day 0.849 hours/ns 1.635 steps/s 2024-05-17 20:48:43,412 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12600 2520 69.731 -28623 7642.6 -36265 -36265 0.36349 -0.23415 -0.025316 23868 2024-05-17 20:49:18,041 INFO [main.py:798]
{rank 0/64} MD step = 12700 step time: 00:00:00.350032 Performance: 28.185 ns/day 0.852 hours/ns 1.631 steps/s 2024-05-17 20:49:41,283 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12700 2540 70.022 -28754 7674.5 -36428 -36428 0.3668 -0.2343 -0.024149 24016 2024-05-17 20:50:14,866 INFO [main.py:798]
{rank 0/64} MD step = 12800 step time: 00:00:00.358861 Performance: 28.201 ns/day 0.851 hours/ns 1.632 steps/s 2024-05-17 20:50:36,438 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12800 2560 71.189 -28435 7802.4 -36238 -36238 0.37182 -0.23575 -0.023735 24260 2024-05-17 20:51:10,018 INFO [main.py:798]
{rank 0/64} MD step = 12900 step time: 00:00:00.350666 Performance: 28.223 ns/day 0.850 hours/ns 1.633 steps/s 2024-05-17 20:51:23,575 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12900 2580 69.278 -28741 7593 -36334 -36334 0.37783 -0.23796 -0.025921 24406 2024-05-17 20:51:58,280 INFO [main.py:798]
{rank 0/64} MD step = 13000 step time: 00:00:00.351150 Performance: 28.269 ns/day 0.849 hours/ns 1.636 steps/s 2024-05-17 20:52:10,776 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 13000 2600 70.107 -28545 7683.8 -36229 -36229 0.38328 -0.23968 -0.02683 24628 2024-05-17 20:52:49,850 INFO [main.py:798]
{rank 0/64} MD step = 13100 step time: 00:00:00.370318 Performance: 28.303 ns/day 0.848 hours/ns 1.638 steps/s 2024-05-17 20:52:59,825 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 13100 2620 70.479 -28338 7724.5 -36062 -36062 0.38562 -0.24087 -0.026954 24856 2024-05-17 20:53:34,186 INFO [main.py:798]
{rank 0/64} MD step = 13200 step time: 00:00:00.356246 Performance: 28.362 ns/day 0.846 hours/ns 1.641 steps/s 2024-05-17 20:53:43,596 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 13200 2640 68.398 -28585 7496.5 -36081 -36081 0.39164 -0.24175 -0.029354 25063 2024-05-17 20:54:17,411 INFO [main.py:798]
{rank 0/64} MD step = 13300 step time: 00:00:00.347072 Performance: 28.424 ns/day 0.844 hours/ns 1.645 steps/s 2024-05-17 20:54:32,380 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 13300 2660 70.96 -28493 7777.3 -36271 -36271 0.39371 -0.24123 -0.030706 25260 2024-05-17 20:55:06,631 INFO [main.py:798]
{rank 0/64} MD step = 13400 step time: 00:00:00.346481 Performance: 28.465 ns/day 0.843 hours/ns 1.647 steps/s 2024-05-17 20:55:18,766 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 13400 2680 69.736 -28706 7643.1 -36350 -36350 0.39777 -0.24215 -0.031545 25447 2024-05-17 20:55:53,078 INFO [main.py:798]
{rank 0/64} MD step = 13500 step time: 00:00:00.350129 Performance: 28.514 ns/day 0.842 hours/ns 1.650 steps/s 2024-05-17 20:56:29,772 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 13500 2700 69.669 -28733 7635.9 -36369 -36369 0.40006 -0.24287 -0.030402 25634 2024-05-17 20:57:04,567 INFO [main.py:798]
{rank 0/64} MD step = 13600 step time: 00:00:00.353755 Performance: 28.477 ns/day 0.843 hours/ns 1.648 steps/s 2024-05-17 20:57:14,925 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 13600 2720 69.235 -28713 7588.2 -36301 -36301 0.40187 -0.2458 -0.030497 25856 2024-05-17 20:57:50,140 INFO [main.py:798]
{rank 0/64} MD step = 13700 step time: 00:00:00.351126 Performance: 28.528 ns/day 0.841 hours/ns 1.651 steps/s 2024-05-17 20:58:37,932 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 13700 2740 70.992 -28509 7780.8 -36289 -36289 0.40426 -0.24794 -0.031354 26046 2024-05-17 20:59:14,697 INFO [main.py:798]
{rank 0/64} MD step = 13800 step time: 00:00:00.368260 Performance: 28.447 ns/day 0.844 hours/ns 1.646 steps/s 2024-05-17 20:59:33,531 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 13800 2760 69.989 -28525 7670.9 -36196 -36196 0.40698 -0.25166 -0.029868 26241 2024-05-17 21:00:07,961 INFO [main.py:798]
{rank 0/64} MD step = 13900 step time: 00:00:00.347998 Performance: 28.472 ns/day 0.843 hours/ns 1.648 steps/s 2024-05-17 21:00:42,512 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 13900 2780 70.244 -28612 7698.9 -36311 -36311 0.40815 -0.2541 -0.032364 26406 2024-05-17 21:01:36,415 INFO [main.py:798]
{rank 0/64} MD step = 14000 step time: 00:00:00.347847 Performance: 28.379 ns/day 0.846 hours/ns 1.642 steps/s 2024-05-17 21:01:50,069 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 14000 2800 70.731 -28524 7752.2 -36277 -36277 0.41067 -0.25525 -0.031268 26571 2024-05-17 21:02:24,084 INFO [main.py:798]
{rank 0/64} MD step = 14100 step time: 00:00:00.345352 Performance: 28.423 ns/day 0.844 hours/ns 1.645 steps/s 2024-05-17 21:02:39,131 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 14100 2820 70.449 -28417 7721.2 -36138 -36138 0.41132 -0.25703 -0.033754 26759 2024-05-17 21:03:13,995 INFO [main.py:798]
{rank 0/64} MD step = 14200 step time: 00:00:00.346971 Performance: 28.459 ns/day 0.843 hours/ns 1.647 steps/s 2024-05-17 21:03:40,795 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 14200 2840 70.822 -28502 7762.2 -36264 -36264 0.41336 -0.25788 -0.033792 26945 2024-05-17 21:04:15,100 INFO [main.py:798]
{rank 0/64} MD step = 14300 step time: 00:00:00.342728 Performance: 28.458 ns/day 0.843 hours/ns 1.647 steps/s 2024-05-17 21:04:28,610 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 14300 2860 70.59 -28526 7736.8 -36263 -36263 0.41707 -0.26005 -0.033564 27145 2024-05-17 21:05:03,406 INFO [main.py:798]
{rank 0/64} MD step = 14400 step time: 00:00:00.363024 Performance: 28.498 ns/day 0.842 hours/ns 1.649 steps/s 2024-05-17 21:05:10,643 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 14400 2880 69.066 -28490 7569.7 -36060 -36060 0.42191 -0.26282 -0.035235 27364 2024-05-17 21:05:45,226 INFO [main.py:798]
{rank 0/64} MD step = 14500 step time: 00:00:00.360591 Performance: 28.559 ns/day 0.840 hours/ns 1.653 steps/s 2024-05-17 21:06:04,863 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 14500 2900 69.639 -28460 7632.5 -36092 -36092 0.42513 -0.26375 -0.035969 27536 2024-05-17 21:06:39,503 INFO [main.py:798]
{rank 0/64} MD step = 14600 step time: 00:00:00.330036 Performance: 28.579 ns/day 0.840 hours/ns 1.654 steps/s 2024-05-17 21:06:54,875 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 14600 2920 70.571 -28366 7734.7 -36100 -36100 0.42838 -0.26617 -0.036259 27754 2024-05-17 21:07:28,571 INFO [main.py:798]
{rank 0/64} MD step = 14700 step time: 00:00:00.352770 Performance: 28.616 ns/day 0.839 hours/ns 1.656 steps/s 2024-05-17 21:07:38,201 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 14700 2940 70.828 -28347 7762.8 -36110 -36110 0.43305 -0.26823 -0.035545 27925 2024-05-17 21:08:12,173 INFO [main.py:798]
{rank 0/64} MD step = 14800 step time: 00:00:00.350072 Performance: 28.670 ns/day 0.837 hours/ns 1.659 steps/s 2024-05-17 21:08:20,561 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 14800 2960 69.955 -28481 7667.2 -36148 -36148 0.43808 -0.26955 -0.034859 28112 2024-05-17 21:08:54,796 INFO [main.py:798]
{rank 0/64} MD step = 14900 step time: 00:00:00.362268 Performance: 28.726 ns/day 0.835 hours/ns 1.662 steps/s 2024-05-17 21:09:02,235 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 14900 2980 70.954 -28275 7776.6 -36052 -36052 0.44048 -0.27169 -0.035783 28340 2024-05-17 21:09:35,789 INFO [main.py:798]
{rank 0/64} MD step = 15000 step time: 00:00:00.330321 Performance: 28.787 ns/day 0.834 hours/ns 1.666 steps/s 2024-05-17 21:09:45,388 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 15000 3000 69.744 -28329 7644.1 -35973 -35973 0.44391 -0.27445 -0.03635 28529 2024-05-17 21:10:20,918 INFO [main.py:798]
{rank 0/64} MD step = 15100 step time: 00:00:00.327178 Performance: 28.835 ns/day 0.832 hours/ns 1.669 steps/s 2024-05-17 21:10:30,509 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 15100 3020 70.719 -28333 7750.9 -36084 -36084 0.44778 -0.27674 -0.036554 28681 2024-05-17 21:11:05,762 INFO [main.py:798]
{rank 0/64} MD step = 15200 step time: 00:00:00.327628 Performance: 28.883 ns/day 0.831 hours/ns 1.671 steps/s 2024-05-17 21:11:33,154 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 15200 3040 70.093 -28491 7682.3 -36173 -36173 0.45145 -0.27923 -0.03624 28909 2024-05-17 21:12:07,540 INFO [main.py:798]
{rank 0/64} MD step = 15300 step time: 00:00:00.345642 Performance: 28.877 ns/day 0.831 hours/ns 1.671 steps/s 2024-05-17 21:13:34,092 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 15300 3060 71.325 -28176 7817.3 -35994 -35994 0.45465 -0.27983 -0.034592 29091 2024-05-17 21:14:10,661 INFO [main.py:798]
{rank 0/64} MD step = 15400 step time: 00:00:00.352199 Performance: 28.680 ns/day 0.837 hours/ns 1.660 steps/s 2024-05-17 21:15:04,503 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 15400 3080 70.074 -28613 7680.3 -36293 -36293 0.45989 -0.28221 -0.034754 29266 2024-05-17 21:15:38,845 INFO [main.py:798]
{rank 0/64} MD step = 15500 step time: 00:00:00.329081 Performance: 28.594 ns/day 0.839 hours/ns 1.655 steps/s 2024-05-17 21:16:20,968 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 15500 3100 70.315 -28273 7706.6 -35979 -35979 0.46445 -0.28273 -0.033911 29491 2024-05-17 21:16:55,536 INFO [main.py:798]
{rank 0/64} MD step = 15600 step time: 00:00:00.348620 Performance: 28.545 ns/day 0.841 hours/ns 1.652 steps/s 2024-05-17 21:17:29,459 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 15600 3120 70.563 -28457 7733.8 -36191 -36191 0.4662 -0.28535 -0.033526 29629 2024-05-17 21:18:05,450 INFO [main.py:798]
{rank 0/64} MD step = 15700 step time: 00:00:00.351467 Performance: 28.517 ns/day 0.842 hours/ns 1.650 steps/s 2024-05-17 21:18:27,239 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 15700 3140 70.199 -28290 7693.9 -35983 -35983 0.46905 -0.28727 -0.032669 29850 2024-05-17 21:19:02,049 INFO [main.py:798]
{rank 0/64} MD step = 15800 step time: 00:00:00.351549 Performance: 28.529 ns/day 0.841 hours/ns 1.651 steps/s 2024-05-17 21:19:13,306 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 15800 3160 69.996 -28286 7671.7 -35958 -35958 0.47252 -0.29007 -0.033621 30041 2024-05-17 21:19:47,980 INFO [main.py:798]
{rank 0/64} MD step = 15900 step time: 00:00:00.366634 Performance: 28.572 ns/day 0.840 hours/ns 1.653 steps/s 2024-05-17 21:20:07,384 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 15900 3180 69.379 -28426 7604 -36030 -36030 0.47405 -0.29179 -0.032821 30222 2024-05-17 21:20:42,748 INFO [main.py:798]
{rank 0/64} MD step = 16000 step time: 00:00:00.349948 Performance: 28.589 ns/day 0.839 hours/ns 1.654 steps/s 2024-05-17 21:21:12,508 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16000 3200 70.626 -27990 7740.6 -35731 -35731 0.47725 -0.29407 -0.032878 30446 2024-05-17 21:21:47,350 INFO [main.py:798]
{rank 0/64} MD step = 16100 step time: 00:00:00.371547 Performance: 28.577 ns/day 0.840 hours/ns 1.654 steps/s 2024-05-17 21:22:14,149 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16100 3220 70.184 -28412 7692.2 -36104 -36104 0.47835 -0.29585 -0.033659 30580 2024-05-17 21:22:47,915 INFO [main.py:798]
{rank 0/64} MD step = 16200 step time: 00:00:00.338746 Performance: 28.576 ns/day 0.840 hours/ns 1.654 steps/s 2024-05-17 21:23:10,180 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16200 3240 70.347 -28420 7710.2 -36130 -36130 0.48146 -0.29677 -0.035011 30764 2024-05-17 21:23:44,468 INFO [main.py:798]
{rank 0/64} MD step = 16300 step time: 00:00:00.344250 Performance: 28.588 ns/day 0.840 hours/ns 1.654 steps/s 2024-05-17 21:23:59,287 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16300 3260 70.805 -28264 7760.4 -36024 -36024 0.48429 -0.30072 -0.035564 30976 2024-05-17 21:24:37,605 INFO [main.py:798]
{rank 0/64} MD step = 16400 step time: 00:00:00.337469 Performance: 28.609 ns/day 0.839 hours/ns 1.656 steps/s 2024-05-17 21:25:03,320 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16400 3280 70.25 -28307 7699.5 -36006 -36006 0.48946 -0.30339 -0.035373 31184 2024-05-17 21:25:37,983 INFO [main.py:798]
{rank 0/64} MD step = 16500 step time: 00:00:00.326803 Performance: 28.609 ns/day 0.839 hours/ns 1.656 steps/s 2024-05-17 21:26:16,891 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16500 3300 70.163 -28231 7690 -35921 -35921 0.49112 -0.30569 -0.035126 31366 2024-05-17 21:26:51,480 INFO [main.py:798]
{rank 0/64} MD step = 16600 step time: 00:00:00.343901 Performance: 28.572 ns/day 0.840 hours/ns 1.653 steps/s 2024-05-17 21:27:11,124 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16600 3320 69.523 -28458 7619.8 -36078 -36078 0.49538 -0.30741 -0.035488 31542 2024-05-17 21:27:46,291 INFO [main.py:798]
{rank 0/64} MD step = 16700 step time: 00:00:00.369807 Performance: 28.588 ns/day 0.840 hours/ns 1.654 steps/s 2024-05-17 21:28:05,232 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16700 3340 69.941 -28556 7665.6 -36222 -36222 0.49868 -0.3096 -0.036412 31702 2024-05-17 21:28:39,588 INFO [main.py:798]
{rank 0/64} MD step = 16800 step time: 00:00:00.353514 Performance: 28.608 ns/day 0.839 hours/ns 1.656 steps/s 2024-05-17 21:28:59,744 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16800 3360 70.744 -28256 7753.6 -36010 -36010 0.50249 -0.31148 -0.037007 31932 2024-05-17 21:29:33,850 INFO [main.py:798]
{rank 0/64} MD step = 16900 step time: 00:00:00.347112 Performance: 28.625 ns/day 0.838 hours/ns 1.657 steps/s 2024-05-17 21:30:19,340 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16900 3380 69.807 -28467 7651 -36118 -36118 0.50643 -0.31451 -0.037678 32123 2024-05-17 21:30:53,842 INFO [main.py:798]
{rank 0/64} MD step = 17000 step time: 00:00:00.348423 Performance: 28.570 ns/day 0.840 hours/ns 1.653 steps/s 2024-05-17 21:31:06,658 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17000 3400 69.567 -28441 7624.6 -36065 -36065 0.5113 -0.31642 -0.037869 32326 2024-05-17 21:31:41,742 INFO [main.py:798]
{rank 0/64} MD step = 17100 step time: 00:00:00.369741 Performance: 28.605 ns/day 0.839 hours/ns 1.655 steps/s 2024-05-17 21:31:49,759 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17100 3420 70.71 -28177 7749.9 -35927 -35927 0.51551 -0.31852 -0.038678 32500 2024-05-17 21:32:24,096 INFO [main.py:798]
{rank 0/64} MD step = 17200 step time: 00:00:00.345817 Performance: 28.655 ns/day 0.838 hours/ns 1.658 steps/s 2024-05-17 21:32:41,107 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17200 3440 70.331 -28348 7708.4 -36056 -36056 0.51716 -0.32093 -0.038669 32683 2024-05-17 21:33:14,746 INFO [main.py:798]
{rank 0/64} MD step = 17300 step time: 00:00:00.357736 Performance: 28.682 ns/day 0.837 hours/ns 1.660 steps/s 2024-05-17 21:33:40,828 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17300 3460 70.624 -28351 7740.5 -36091 -36091 0.52104 -0.32465 -0.039317 32875 2024-05-17 21:34:15,202 INFO [main.py:798]
{rank 0/64} MD step = 17400 step time: 00:00:00.344859 Performance: 28.681 ns/day 0.837 hours/ns 1.660 steps/s 2024-05-17 21:34:28,266 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17400 3480 69.303 -28361 7595.7 -35956 -35956 0.5254 -0.32676 -0.040645 33053 2024-05-17 21:35:02,622 INFO [main.py:798]
{rank 0/64} MD step = 17500 step time: 00:00:00.345504 Performance: 28.716 ns/day 0.836 hours/ns 1.662 steps/s 2024-05-17 21:35:28,706 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17500 3500 69.911 -28386 7662.3 -36048 -36048 0.52769 -0.32817 -0.042555 33267 2024-05-17 21:36:05,630 INFO [main.py:798]
{rank 0/64} MD step = 17600 step time: 00:00:00.331681 Performance: 28.708 ns/day 0.836 hours/ns 1.661 steps/s 2024-05-17 21:36:26,761 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17600 3520 70.78 -28144 7757.6 -35901 -35901 0.53283 -0.32782 -0.043212 33460 2024-05-17 21:37:01,173 INFO [main.py:798]
{rank 0/64} MD step = 17700 step time: 00:00:00.339701 Performance: 28.721 ns/day 0.836 hours/ns 1.662 steps/s 2024-05-17 21:37:45,781 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17700 3540 70.292 -28245 7704.1 -35949 -35949 0.53649 -0.33055 -0.042193 33622 2024-05-17 21:38:20,275 INFO [main.py:798]
{rank 0/64} MD step = 17800 step time: 00:00:00.347994 Performance: 28.670 ns/day 0.837 hours/ns 1.659 steps/s 2024-05-17 21:38:32,505 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17800 3560 71.823 -28099 7871.9 -35971 -35971 0.53562 -0.33362 -0.040764 33841 2024-05-17 21:39:06,422 INFO [main.py:798]
{rank 0/64} MD step = 17900 step time: 00:00:00.325079 Performance: 28.708 ns/day 0.836 hours/ns 1.661 steps/s 2024-05-17 21:39:12,574 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17900 3580 69.961 -28237 7667.9 -35905 -35905 0.53782 -0.33541 -0.040745 34033 2024-05-17 21:39:55,521 INFO [main.py:798]
{rank 0/64} MD step = 18000 step time: 00:00:00.479388 Performance: 28.737 ns/day 0.835 hours/ns 1.663 steps/s 2024-05-17 21:40:15,207 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 18000 3600 69.828 -28464 7653.2 -36118 -36118 0.5387 -0.33612 -0.040669 34160 2024-05-17 21:40:50,745 INFO [main.py:798]
{rank 0/64} MD step = 18100 step time: 00:00:00.384392 Performance: 28.750 ns/day 0.835 hours/ns 1.664 steps/s 2024-05-17 21:41:23,819 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 18100 3620 69.388 -28471 7605.1 -36076 -36076 0.54359 -0.33767 -0.04145 34340 2024-05-17 21:41:58,219 INFO [main.py:798]
{rank 0/64} MD step = 18200 step time: 00:00:00.353005 Performance: 28.731 ns/day 0.835 hours/ns 1.663 steps/s 2024-05-17 21:42:46,554 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 18200 3640 69.702 -28514 7639.5 -36154 -36154 0.54712 -0.33898 -0.041964 34511 2024-05-17 21:43:21,002 INFO [main.py:798]
{rank 0/64} MD step = 18300 step time: 00:00:00.340982 Performance: 28.672 ns/day 0.837 hours/ns 1.659 steps/s 2024-05-17 21:43:47,453 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 18300 3660 70.392 -28479 7715 -36194 -36194 0.54952 -0.34261 -0.042926 34684 2024-05-17 21:44:22,655 INFO [main.py:798]
{rank 0/64} MD step = 18400 step time: 00:00:00.353771 Performance: 28.668 ns/day 0.837 hours/ns 1.659 steps/s 2024-05-17 21:44:32,375 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 18400 3680 70.149 -28355 7688.4 -36043 -36043 0.5527 -0.34545 -0.045288 34898 2024-05-17 21:45:07,333 INFO [main.py:798]
{rank 0/64} MD step = 18500 step time: 00:00:00.329396 Performance: 28.708 ns/day 0.836 hours/ns 1.661 steps/s 2024-05-17 21:45:23,932 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 18500 3700 69.459 -28353 7612.8 -35966 -35966 0.55818 -0.34764 -0.045717 35100 2024-05-17 21:45:58,743 INFO [main.py:798]
{rank 0/64} MD step = 18600 step time: 00:00:00.332853 Performance: 28.731 ns/day 0.835 hours/ns 1.663 steps/s 2024-05-17 21:46:22,895 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 18600 3720 69.883 -28281 7659.2 -35940 -35940 0.56216 -0.35061 -0.045336 35296 2024-05-17 21:46:56,520 INFO [main.py:798]
{rank 0/64} MD step = 18700 step time: 00:00:00.338956 Performance: 28.737 ns/day 0.835 hours/ns 1.663 steps/s 2024-05-17 21:47:33,988 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 18700 3740 70.069 -28343 7679.7 -36023 -36023 0.56768 -0.35391 -0.045336 35462 2024-05-17 21:48:07,157 INFO [main.py:798]
{rank 0/64} MD step = 18800 step time: 00:00:00.330336 Performance: 28.710 ns/day 0.836 hours/ns 1.661 steps/s 2024-05-17 21:48:28,257 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 18800 3760 69.89 -28329 7660 -35989 -35989 0.57148 -0.35619 -0.046126 35661 2024-05-17 21:49:02,502 INFO [main.py:798]
{rank 0/64} MD step = 18900 step time: 00:00:00.348968 Performance: 28.722 ns/day 0.836 hours/ns 1.662 steps/s 2024-05-17 21:49:23,773 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 18900 3780 70.379 -28318 7713.6 -36031 -36031 0.57291 -0.3576 -0.046745 35853 2024-05-17 21:49:58,026 INFO [main.py:798]
{rank 0/64} MD step = 19000 step time: 00:00:00.351006 Performance: 28.734 ns/day 0.835 hours/ns 1.663 steps/s 2024-05-17 21:50:21,626 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19000 3800 69.885 -28472 7659.5 -36131 -36131 0.57576 -0.3603 -0.045955 36036 2024-05-17 21:50:59,580 INFO [main.py:798]
{rank 0/64} MD step = 19100 step time: 00:00:00.341523 Performance: 28.731 ns/day 0.835 hours/ns 1.663 steps/s 2024-05-17 21:51:21,766 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19100 3820 70.861 -28359 7766.4 -36126 -36126 0.5806 -0.36278 -0.047469 36182 2024-05-17 21:51:56,472 INFO [main.py:798]
{rank 0/64} MD step = 19200 step time: 00:00:00.333581 Performance: 28.739 ns/day 0.835 hours/ns 1.663 steps/s 2024-05-17 21:52:54,104 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19200 3840 69.691 -28505 7638.3 -36144 -36144 0.58208 -0.3648 -0.048803 36384 2024-05-17 21:53:27,964 INFO [main.py:798]
{rank 0/64} MD step = 19300 step time: 00:00:00.338318 Performance: 28.661 ns/day 0.837 hours/ns 1.659 steps/s 2024-05-17 21:54:25,231 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19300 3860 70.785 -28464 7758.1 -36222 -36222 0.58651 -0.36533 -0.050384 36545 2024-05-17 21:55:10,691 INFO [main.py:798]
{rank 0/64} MD step = 19400 step time: 00:00:00.341809 Performance: 28.558 ns/day 0.840 hours/ns 1.653 steps/s 2024-05-17 21:55:20,133 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19400 3880 69.248 -28341 7589.7 -35930 -35930 0.59005 -0.36722 -0.04945 36773 2024-05-17 21:55:54,818 INFO [main.py:798]
{rank 0/64} MD step = 19500 step time: 00:00:00.363008 Performance: 28.597 ns/day 0.839 hours/ns 1.655 steps/s 2024-05-17 21:56:05,378 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19500 3900 69.354 -28455 7601.2 -36056 -36056 0.59417 -0.36768 -0.049022 36998 2024-05-17 21:56:41,297 INFO [main.py:798]
{rank 0/64} MD step = 19600 step time: 00:00:00.340222 Performance: 28.631 ns/day 0.838 hours/ns 1.657 steps/s 2024-05-17 21:57:00,386 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19600 3920 70.742 -28241 7753.4 -35994 -35994 0.59714 -0.37107 -0.050746 37168 2024-05-17 21:57:35,225 INFO [main.py:798]
{rank 0/64} MD step = 19700 step time: 00:00:00.349279 Performance: 28.646 ns/day 0.838 hours/ns 1.658 steps/s 2024-05-17 21:58:10,537 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19700 3940 69.959 -28180 7667.5 -35847 -35847 0.59821 -0.3725 -0.050079 37351 2024-05-17 21:58:47,663 INFO [main.py:798]
{rank 0/64} MD step = 19800 step time: 00:00:00.350404 Performance: 28.617 ns/day 0.839 hours/ns 1.656 steps/s 2024-05-17 21:59:15,561 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19800 3960 70.27 -28276 7701.6 -35978 -35978 0.60071 -0.37581 -0.051346 37545 2024-05-17 21:59:49,928 INFO [main.py:798]
{rank 0/64} MD step = 19900 step time: 00:00:00.333593 Performance: 28.613 ns/day 0.839 hours/ns 1.656 steps/s 2024-05-17 22:00:04,975 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19900 3980 70.013 -28550 7673.5 -36223 -36223 0.60379 -0.37765 -0.052193 37675 2024-05-17 22:00:41,083 INFO [main.py:798]
{rank 0/64} MD step = 20000 step time: 00:00:00.370313 Performance: 28.635 ns/day 0.838 hours/ns 1.657 steps/s 2024-05-17 22:01:01,444 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 20000 4000 70.042 -28370 7676.7 -36047 -36047 0.60881 -0.37921 -0.051946 37899 2024-05-17 22:01:35,949 INFO [main.py:798]
{rank 0/64} MD step = 20100 step time: 00:00:00.350389 Performance: 28.648 ns/day 0.838 hours/ns 1.658 steps/s 2024-05-17 22:01:55,953 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 20100 4020 70.068 -28243 7679.6 -35923 -35923 0.61188 -0.38147 -0.054517 38070 2024-05-17 22:02:31,170 INFO [main.py:798]
{rank 0/64} MD step = 20200 step time: 00:00:00.345095 Performance: 28.660 ns/day 0.837 hours/ns 1.659 steps/s 2024-05-17 22:02:47,072 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 20200 4040 69.779 -28343 7647.9 -35990 -35990 0.61561 -0.38319 -0.055251 38211 2024-05-17 22:03:20,263 INFO [main.py:798]
{rank 0/64} MD step = 20300 step time: 00:00:00.327705 Performance: 28.686 ns/day 0.837 hours/ns 1.660 steps/s 2024-05-17 22:03:54,259 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 20300 4060 70.027 -28456 7675 -36131 -36131 0.61754 -0.38585 -0.056422 38383 2024-05-17 22:04:34,249 INFO [main.py:798]
{rank 0/64} MD step = 20400 step time: 00:00:00.352612 Performance: 28.654 ns/day 0.838 hours/ns 1.658 steps/s 2024-05-17 22:06:07,030 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 20400 4080 69.4 -28733 7606.4 -36339 -36339 0.62177 -0.38871 -0.057965 38525 2024-05-17 22:06:41,548 INFO [main.py:798]
{rank 0/64} MD step = 20500 step time: 00:00:00.346060 Performance: 28.500 ns/day 0.842 hours/ns 1.649 steps/s 2024-05-17 22:06:54,616 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 20500 4100 70.441 -28378 7720.4 -36099 -36099 0.62584 -0.39029 -0.059889 38758 2024-05-17 22:07:28,566 INFO [main.py:798]
{rank 0/64} MD step = 20600 step time: 00:00:00.334478 Performance: 28.531 ns/day 0.841 hours/ns 1.651 steps/s 2024-05-17 22:07:56,956 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 20600 4120 69.359 -28553 7601.8 -36154 -36154 0.62942 -0.39331 -0.061013 38952 2024-05-17 22:08:30,953 INFO [main.py:798]
{rank 0/64} MD step = 20700 step time: 00:00:00.349459 Performance: 28.526 ns/day 0.841 hours/ns 1.651 steps/s 2024-05-17 22:08:38,812 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 20700 4140 69.814 -28502 7651.7 -36153 -36153 0.63303 -0.39657 -0.061356 39136 2024-05-17 22:09:12,484 INFO [main.py:798]
{rank 0/64} MD step = 20800 step time: 00:00:00.339498 Performance: 28.570 ns/day 0.840 hours/ns 1.653 steps/s 2024-05-17 22:10:10,576 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 20800 4160 69.152 -28499 7579.2 -36079 -36079 0.63705 -0.39804 -0.061565 39353 2024-05-17 22:10:46,063 INFO [main.py:798]
{rank 0/64} MD step = 20900 step time: 00:00:00.368976 Performance: 28.495 ns/day 0.842 hours/ns 1.649 steps/s 2024-05-17 22:11:04,046 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 20900 4180 70.073 -28618 7680.1 -36298 -36298 0.64011 -0.40082 -0.061937 39494 2024-05-17 22:11:40,672 INFO [main.py:798]
{rank 0/64} MD step = 21000 step time: 00:00:00.326711 Performance: 28.509 ns/day 0.842 hours/ns 1.650 steps/s 2024-05-17 22:11:56,519 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21000 4200 69.29 -28676 7594.3 -36270 -36270 0.64406 -0.40205 -0.063194 39685 2024-05-17 22:12:33,804 INFO [main.py:798]
{rank 0/64} MD step = 21100 step time: 00:00:00.339904 Performance: 28.525 ns/day 0.841 hours/ns 1.651 steps/s 2024-05-17 22:13:06,232 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21100 4220 71.034 -28344 7785.4 -36130 -36130 0.64693 -0.40469 -0.062556 39886 2024-05-17 22:13:39,952 INFO [main.py:798]
{rank 0/64} MD step = 21200 step time: 00:00:00.326339 Performance: 28.513 ns/day 0.842 hours/ns 1.650 steps/s 2024-05-17 22:14:30,639 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21200 4240 68.977 -28437 7560 -35997 -35997 0.65135 -0.40683 -0.062794 40084 2024-05-17 22:15:17,060 INFO [main.py:798]
{rank 0/64} MD step = 21300 step time: 00:00:00.348605 Performance: 28.432 ns/day 0.844 hours/ns 1.645 steps/s 2024-05-17 22:15:42,333 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21300 4260 69.089 -28376 7572.3 -35949 -35949 0.6568 -0.41092 -0.062308 40283 2024-05-17 22:16:19,100 INFO [main.py:798]
{rank 0/64} MD step = 21400 step time: 00:00:00.372745 Performance: 28.430 ns/day 0.844 hours/ns 1.645 steps/s 2024-05-17 22:16:29,963 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21400 4280 69.719 -28444 7641.3 -36085 -36085 0.66212 -0.41344 -0.062408 40467 2024-05-17 22:17:04,274 INFO [main.py:798]
{rank 0/64} MD step = 21500 step time: 00:00:00.326009 Performance: 28.464 ns/day 0.843 hours/ns 1.647 steps/s 2024-05-17 22:17:19,879 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21500 4300 70.638 -28324 7742 -36066 -36066 0.66661 -0.41675 -0.064004 40668 2024-05-17 22:17:54,035 INFO [main.py:798]
{rank 0/64} MD step = 21600 step time: 00:00:00.348956 Performance: 28.488 ns/day 0.842 hours/ns 1.649 steps/s 2024-05-17 22:18:16,767 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21600 4320 69.942 -28550 7665.7 -36216 -36216 0.66918 -0.41907 -0.065432 40843 2024-05-17 22:18:54,295 INFO [main.py:798]
{rank 0/64} MD step = 21700 step time: 00:00:00.350752 Performance: 28.488 ns/day 0.842 hours/ns 1.649 steps/s 2024-05-17 22:19:12,220 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21700 4340 68.433 -28671 7500.3 -36171 -36171 0.67103 -0.41985 -0.067356 41056 2024-05-17 22:19:45,952 INFO [main.py:798]
{rank 0/64} MD step = 21800 step time: 00:00:00.325445 Performance: 28.508 ns/day 0.842 hours/ns 1.650 steps/s 2024-05-17 22:19:57,338 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21800 4360 69.936 -28479 7665 -36144 -36144 0.67251 -0.42301 -0.068923 41249 2024-05-17 22:20:33,525 INFO [main.py:798]
{rank 0/64} MD step = 21900 step time: 00:00:00.350453 Performance: 28.536 ns/day 0.841 hours/ns 1.651 steps/s 2024-05-17 22:21:12,166 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21900 4380 69.573 -28674 7625.3 -36299 -36299 0.6751 -0.4252 -0.070156 41434 2024-05-17 22:21:46,814 INFO [main.py:798]
{rank 0/64} MD step = 22000 step time: 00:00:00.326933 Performance: 28.509 ns/day 0.842 hours/ns 1.650 steps/s 2024-05-17 22:22:20,711 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 22000 4400 70.425 -28432 7718.6 -36151 -36151 0.67857 -0.42916 -0.071033 41658 2024-05-17 22:22:55,127 INFO [main.py:798]
{rank 0/64} MD step = 22100 step time: 00:00:00.356580 Performance: 28.492 ns/day 0.842 hours/ns 1.649 steps/s 2024-05-17 22:23:14,019 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 22100 4420 69.705 -28384 7639.7 -36024 -36024 0.68168 -0.43182 -0.070652 41851 2024-05-17 22:23:48,034 INFO [main.py:798]
{rank 0/64} MD step = 22200 step time: 00:00:00.351685 Performance: 28.509 ns/day 0.842 hours/ns 1.650 steps/s 2024-05-17 22:24:05,300 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 22200 4440 70.013 -28487 7673.6 -36160 -36160 0.68551 -0.43309 -0.071033 42040 2024-05-17 22:24:39,658 INFO [main.py:798]
{rank 0/64} MD step = 22300 step time: 00:00:00.356741 Performance: 28.528 ns/day 0.841 hours/ns 1.651 steps/s 2024-05-17 22:24:48,868 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 22300 4460 69.833 -28377 7653.8 -36031 -36031 0.69023 -0.43463 -0.073109 42224 2024-05-17 22:25:23,415 INFO [main.py:798]
{rank 0/64} MD step = 22400 step time: 00:00:00.350192 Performance: 28.563 ns/day 0.840 hours/ns 1.653 steps/s 2024-05-17 22:25:43,945 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 22400 4480 71.457 -28275 7831.8 -36107 -36107 0.69613 -0.43743 -0.073947 42414 2024-05-17 22:26:19,845 INFO [main.py:798]
{rank 0/64} MD step = 22500 step time: 00:00:00.351118 Performance: 28.571 ns/day 0.840 hours/ns 1.653 steps/s 2024-05-17 22:26:43,284 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 22500 4500 69.697 -28495 7638.9 -36134 -36134 0.70141 -0.44036 -0.073795 42628 2024-05-17 22:27:17,926 INFO [main.py:798]
{rank 0/64} MD step = 22600 step time: 00:00:00.352471 Performance: 28.576 ns/day 0.840 hours/ns 1.654 steps/s 2024-05-17 22:27:33,770 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 22600 4520 70.015 -28414 7673.8 -36088 -36088 0.70556 -0.44347 -0.075319 42777 2024-05-17 22:28:08,837 INFO [main.py:798]
{rank 0/64} MD step = 22700 step time: 00:00:00.348755 Performance: 28.596 ns/day 0.839 hours/ns 1.655 steps/s 2024-05-17 22:28:32,558 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 22700 4540 70.051 -28433 7677.7 -36110 -36110 0.70998 -0.44634 -0.0761 42973 2024-05-17 22:29:07,178 INFO [main.py:798]
{rank 0/64} MD step = 22800 step time: 00:00:00.331651 Performance: 28.601 ns/day 0.839 hours/ns 1.655 steps/s 2024-05-17 22:29:13,948 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 22800 4560 71.08 -28259 7790.4 -36049 -36049 0.71381 -0.44955 -0.077433 43182 2024-05-17 22:29:49,248 INFO [main.py:798]
{rank 0/64} MD step = 22900 step time: 00:00:00.326832 Performance: 28.639 ns/day 0.838 hours/ns 1.657 steps/s 2024-05-17 22:30:29,798 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 22900 4580 70.442 -28323 7720.5 -36044 -36044 0.71793 -0.4514 -0.076614 43399 2024-05-17 22:31:05,369 INFO [main.py:798]
{rank 0/64} MD step = 23000 step time: 00:00:00.330231 Performance: 28.606 ns/day 0.839 hours/ns 1.655 steps/s 2024-05-17 22:31:24,857 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 23000 4600 69.628 -28494 7631.3 -36125 -36125 0.72215 -0.45433 -0.075723 43563 2024-05-17 22:31:59,029 INFO [main.py:798]
{rank 0/64} MD step = 23100 step time: 00:00:00.337161 Performance: 28.620 ns/day 0.839 hours/ns 1.656 steps/s 2024-05-17 22:32:16,228 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 23100 4620 70.376 -28361 7713.3 -36074 -36074 0.72408 -0.45664 -0.0773 43761 2024-05-17 22:32:54,190 INFO [main.py:798]
{rank 0/64} MD step = 23200 step time: 00:00:00.348854 Performance: 28.631 ns/day 0.838 hours/ns 1.657 steps/s 2024-05-17 22:33:14,314 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 23200 4640 70.519 -28275 7729 -36004 -36004 0.72744 -0.46003 -0.078719 43947 2024-05-17 22:33:48,601 INFO [main.py:798]
{rank 0/64} MD step = 23300 step time: 00:00:00.345604 Performance: 28.643 ns/day 0.838 hours/ns 1.658 steps/s 2024-05-17 22:34:03,987 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 23300 4660 69.299 -28380 7595.3 -35975 -35975 0.73267 -0.46278 -0.079566 44165 2024-05-17 22:34:39,049 INFO [main.py:798]
{rank 0/64} MD step = 23400 step time: 00:00:00.352923 Performance: 28.663 ns/day 0.837 hours/ns 1.659 steps/s 2024-05-17 22:34:54,615 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 23400 4680 69.982 -28334 7670.2 -36005 -36005 0.73551 -0.4638 -0.080662 44359 2024-05-17 22:35:28,980 INFO [main.py:798]
{rank 0/64} MD step = 23500 step time: 00:00:00.354576 Performance: 28.684 ns/day 0.837 hours/ns 1.660 steps/s 2024-05-17 22:35:47,130 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 23500 4700 70.357 -28387 7711.2 -36099 -36099 0.73886 -0.46688 -0.080995 44519 2024-05-17 22:36:21,873 INFO [main.py:798]
{rank 0/64} MD step = 23600 step time: 00:00:00.348157 Performance: 28.699 ns/day 0.836 hours/ns 1.661 steps/s 2024-05-17 22:36:57,259 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 23600 4720 69.246 -28510 7589.4 -36100 -36100 0.74163 -0.46899 -0.082138 44689 2024-05-17 22:37:35,715 INFO [main.py:798]
{rank 0/64} MD step = 23700 step time: 00:00:00.371544 Performance: 28.671 ns/day 0.837 hours/ns 1.659 steps/s 2024-05-17 22:38:10,339 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 23700 4740 69.121 -28609 7575.7 -36185 -36185 0.74502 -0.47026 -0.082424 44856 2024-05-17 22:38:44,879 INFO [main.py:798]
{rank 0/64} MD step = 23800 step time: 00:00:00.350880 Performance: 28.653 ns/day 0.838 hours/ns 1.658 steps/s 2024-05-17 22:39:10,678 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 23800 4760 71.028 -28176 7784.8 -35961 -35961 0.74798 -0.47102 -0.082671 45092 2024-05-17 22:39:46,809 INFO [main.py:798]
{rank 0/64} MD step = 23900 step time: 00:00:00.327322 Performance: 28.650 ns/day 0.838 hours/ns 1.658 steps/s 2024-05-17 22:40:31,176 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 23900 4780 69.975 -28360 7669.3 -36029 -36029 0.75336 -0.47346 -0.081262 45272 2024-05-17 22:41:07,354 INFO [main.py:798]
{rank 0/64} MD step = 24000 step time: 00:00:00.351579 Performance: 28.610 ns/day 0.839 hours/ns 1.656 steps/s 2024-05-17 22:41:25,893 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 24000 4800 69.309 -28677 7596.4 -36274 -36274 0.75677 -0.47589 -0.081157 45441 2024-05-17 22:42:00,145 INFO [main.py:798]
{rank 0/64} MD step = 24100 step time: 00:00:00.355009 Performance: 28.625 ns/day 0.838 hours/ns 1.657 steps/s 2024-05-17 22:42:20,188 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 24100 4820 70.292 -28424 7704.1 -36128 -36128 0.76154 -0.47789 -0.081928 45681 2024-05-17 22:42:56,017 INFO [main.py:798]
{rank 0/64} MD step = 24200 step time: 00:00:00.373639 Performance: 28.634 ns/day 0.838 hours/ns 1.657 steps/s 2024-05-17 22:43:03,057 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 24200 4840 69.825 -28482 7653 -36135 -36135 0.76427 -0.47989 -0.083681 45882 2024-05-17 22:43:37,568 INFO [main.py:798]
{rank 0/64} MD step = 24300 step time: 00:00:00.344935 Performance: 28.671 ns/day 0.837 hours/ns 1.659 steps/s 2024-05-17 22:44:07,113 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 24300 4860 68.668 -28640 7526.1 -36166 -36166 0.76732 -0.48291 -0.085338 46109 2024-05-17 22:44:41,605 INFO [main.py:798]
{rank 0/64} MD step = 24400 step time: 00:00:00.346322 Performance: 28.663 ns/day 0.837 hours/ns 1.659 steps/s 2024-05-17 22:45:28,897 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 24400 4880 70.785 -28412 7758.1 -36170 -36170 0.77104 -0.48509 -0.085491 46263 2024-05-17 22:46:04,069 INFO [main.py:798]
{rank 0/64} MD step = 24500 step time: 00:00:00.351482 Performance: 28.620 ns/day 0.839 hours/ns 1.656 steps/s 2024-05-17 22:46:29,116 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 24500 4900 69.198 -28437 7584.1 -36021 -36021 0.775 -0.4882 -0.085462 46451 2024-05-17 22:47:03,773 INFO [main.py:798]
{rank 0/64} MD step = 24600 step time: 00:00:00.365534 Performance: 28.622 ns/day 0.839 hours/ns 1.656 steps/s 2024-05-17 22:47:55,104 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 24600 4920 70.002 -28440 7672.4 -36113 -36113 0.77982 -0.49081 -0.085033 46654 2024-05-17 22:48:29,272 INFO [main.py:798]
{rank 0/64} MD step = 24700 step time: 00:00:00.353630 Performance: 28.574 ns/day 0.840 hours/ns 1.654 steps/s 2024-05-17 22:48:56,585 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 24700 4940 70.971 -28410 7778.5 -36189 -36189 0.78393 -0.49226 -0.085633 46820 2024-05-17 22:49:31,820 INFO [main.py:798]
{rank 0/64} MD step = 24800 step time: 00:00:00.332507 Performance: 28.570 ns/day 0.840 hours/ns 1.653 steps/s 2024-05-17 22:49:51,975 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 24800 4960 70.831 -28249 7763.1 -36012 -36012 0.78641 -0.49468 -0.086405 47021 2024-05-17 22:50:26,251 INFO [main.py:798]
{rank 0/64} MD step = 24900 step time: 00:00:00.353410 Performance: 28.581 ns/day 0.840 hours/ns 1.654 steps/s 2024-05-17 22:50:46,233 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 24900 4980 70.298 -28372 7704.8 -36077 -36077 0.79166 -0.49826 -0.086357 47196 2024-05-17 22:51:20,381 INFO [main.py:798]
{rank 0/64} MD step = 25000 step time: 00:00:00.338758 Performance: 28.593 ns/day 0.839 hours/ns 1.655 steps/s 2024-05-17 22:51:32,844 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25000 5000 70.276 -28209 7702.4 -35911 -35911 0.79631 -0.50193 -0.0865 47404 2024-05-17 22:52:08,762 INFO [main.py:798]
{rank 0/64} MD step = 25100 step time: 00:00:00.371662 Performance: 28.616 ns/day 0.839 hours/ns 1.656 steps/s 2024-05-17 22:52:13,663 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25100 5020 69.847 -28542 7655.3 -36197 -36197 0.79928 -0.50504 -0.087433 47582 2024-05-17 22:52:54,339 INFO [main.py:798]
{rank 0/64} MD step = 25200 step time: 00:00:00.328959 Performance: 28.644 ns/day 0.838 hours/ns 1.658 steps/s 2024-05-17 22:53:24,897 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25200 5040 70.23 -28446 7697.3 -36143 -36143 0.80161 -0.50746 -0.088034 47764 2024-05-17 22:54:00,109 INFO [main.py:798]
{rank 0/64} MD step = 25300 step time: 00:00:00.346344 Performance: 28.634 ns/day 0.838 hours/ns 1.657 steps/s 2024-05-17 22:54:39,865 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25300 5060 69.645 -28398 7633.2 -36031 -36031 0.80496 -0.51032 -0.088005 48012 2024-05-17 22:55:14,055 INFO [main.py:798]
{rank 0/64} MD step = 25400 step time: 00:00:00.346771 Performance: 28.608 ns/day 0.839 hours/ns 1.656 steps/s 2024-05-17 22:55:39,082 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25400 5080 68.941 -28572 7556 -36128 -36128 0.80801 -0.51281 -0.089129 48184 2024-05-17 22:56:13,464 INFO [main.py:798]
{rank 0/64} MD step = 25500 step time: 00:00:00.344929 Performance: 28.610 ns/day 0.839 hours/ns 1.656 steps/s 2024-05-17 22:56:45,603 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25500 5100 69.114 -28589 7574.9 -36164 -36164 0.81243 -0.51447 -0.089205 48377 2024-05-17 22:57:19,870 INFO [main.py:798]
{rank 0/64} MD step = 25600 step time: 00:00:00.343848 Performance: 28.599 ns/day 0.839 hours/ns 1.655 steps/s 2024-05-17 22:57:41,429 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25600 5120 69.797 -28418 7649.9 -36067 -36067 0.81736 -0.51776 -0.0903 48597 2024-05-17 22:58:15,196 INFO [main.py:798]
{rank 0/64} MD step = 25700 step time: 00:00:00.325678 Performance: 28.608 ns/day 0.839 hours/ns 1.656 steps/s 2024-05-17 22:59:21,550 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25700 5140 70.153 -28331 7688.9 -36020 -36020 0.82447 -0.52148 -0.089567 48806 2024-05-17 22:59:54,868 INFO [main.py:798]
{rank 0/64} MD step = 25800 step time: 00:00:00.370566 Performance: 28.536 ns/day 0.841 hours/ns 1.651 steps/s 2024-05-17 23:01:14,988 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25800 5160 70.189 -28272 7692.8 -35965 -35965 0.82866 -0.52271 -0.089834 49014 2024-05-17 23:01:52,318 INFO [main.py:798]
{rank 0/64} MD step = 25900 step time: 00:00:00.367895 Performance: 28.433 ns/day 0.844 hours/ns 1.645 steps/s 2024-05-17 23:02:12,593 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25900 5180 69.535 -28516 7621.1 -36137 -36137 0.83145 -0.52616 -0.091224 49159 2024-05-17 23:03:05,826 INFO [main.py:798]
{rank 0/64} MD step = 26000 step time: 00:00:00.326776 Performance: 28.410 ns/day 0.845 hours/ns 1.644 steps/s 2024-05-17 23:03:17,663 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 26000 5200 70.006 -28265 7672.7 -35938 -35938 0.83662 -0.52953 -0.091967 49374 2024-05-17 23:03:51,779 INFO [main.py:798]
{rank 0/64} MD step = 26100 step time: 00:00:00.347230 Performance: 28.437 ns/day 0.844 hours/ns 1.646 steps/s 2024-05-17 23:04:09,442 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 26100 5220 70.805 -28271 7760.3 -36032 -36032 0.84016 -0.53343 -0.094539 49537 2024-05-17 23:04:43,973 INFO [main.py:798]
{rank 0/64} MD step = 26200 step time: 00:00:00.349169 Performance: 28.452 ns/day 0.844 hours/ns 1.647 steps/s 2024-05-17 23:04:57,194 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 26200 5240 67.948 -28654 7447.1 -36101 -36101 0.84275 -0.53668 -0.09572 49721 2024-05-17 23:05:31,409 INFO [main.py:798]
{rank 0/64} MD step = 26300 step time: 00:00:00.348246 Performance: 28.476 ns/day 0.843 hours/ns 1.648 steps/s 2024-05-17 23:05:46,621 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 26300 5260 70.307 -28421 7705.7 -36126 -36126 0.8465 -0.53939 -0.097015 49881 2024-05-17 23:06:24,917 INFO [main.py:798]
{rank 0/64} MD step = 26400 step time: 00:00:00.344050 Performance: 28.489 ns/day 0.842 hours/ns 1.649 steps/s 2024-05-17 23:07:06,890 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 26400 5280 70.442 -28463 7720.5 -36183 -36183 0.85114 -0.5427 -0.098158 50071 2024-05-17 23:07:41,294 INFO [main.py:798]
{rank 0/64} MD step = 26500 step time: 00:00:00.326314 Performance: 28.461 ns/day 0.843 hours/ns 1.647 steps/s 2024-05-17 23:07:59,643 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 26500 5300 69.936 -28439 7665.1 -36104 -36104 0.85483 -0.54609 -0.098441 50272 2024-05-17 23:08:33,201 INFO [main.py:798]
{rank 0/64} MD step = 26600 step time: 00:00:00.348383 Performance: 28.476 ns/day 0.843 hours/ns 1.648 steps/s 2024-05-17 23:09:28,778 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 26600 5320 71.004 -28417 7782.1 -36199 -36199 0.85849 -0.54921 -0.099253 50500 2024-05-17 23:10:02,807 INFO [main.py:798]
{rank 0/64} MD step = 26700 step time: 00:00:00.355745 Performance: 28.426 ns/day 0.844 hours/ns 1.645 steps/s 2024-05-17 23:10:38,693 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 26700 5340 70.633 -28507 7741.5 -36248 -36248 0.86414 -0.5535 -0.09952 50682 2024-05-17 23:11:15,699 INFO [main.py:798]
{rank 0/64} MD step = 26800 step time: 00:00:00.354874 Performance: 28.405 ns/day 0.845 hours/ns 1.644 steps/s 2024-05-17 23:11:50,236 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 26800 5360 69.827 -28563 7653.1 -36216 -36216 0.86823 -0.55748 -0.10168 50887 2024-05-17 23:12:25,046 INFO [main.py:798]
{rank 0/64} MD step = 26900 step time: 00:00:00.366237 Performance: 28.390 ns/day 0.845 hours/ns 1.643 steps/s 2024-05-17 23:12:38,405 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 26900 5380 70.391 -28451 7714.9 -36166 -36166 0.87144 -0.56041 -0.10239 51058 2024-05-17 23:13:13,125 INFO [main.py:798]
{rank 0/64} MD step = 27000 step time: 00:00:00.347222 Performance: 28.412 ns/day 0.845 hours/ns 1.644 steps/s 2024-05-17 23:13:27,086 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27000 5400 70.091 -28443 7682.1 -36125 -36125 0.87674 -0.56441 -0.10347 51262 2024-05-17 23:14:02,964 INFO [main.py:798]
{rank 0/64} MD step = 27100 step time: 00:00:00.349508 Performance: 28.431 ns/day 0.844 hours/ns 1.645 steps/s 2024-05-17 23:14:22,513 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27100 5420 68.81 -28508 7541.7 -36050 -36050 0.87944 -0.56666 -0.104 51457 2024-05-17 23:14:58,285 INFO [main.py:798]
{rank 0/64} MD step = 27200 step time: 00:00:00.345373 Performance: 28.440 ns/day 0.844 hours/ns 1.646 steps/s 2024-05-17 23:16:27,713 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27200 5440 69.599 -28489 7628.2 -36117 -36117 0.88275 -0.57133 -0.10445 51645 2024-05-17 23:17:01,792 INFO [main.py:798]
{rank 0/64} MD step = 27300 step time: 00:00:00.348525 Performance: 28.333 ns/day 0.847 hours/ns 1.640 steps/s 2024-05-17 23:17:50,936 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27300 5460 70.659 -28309 7744.3 -36053 -36053 0.88354 -0.5763 -0.10579 51856 2024-05-17 23:18:24,792 INFO [main.py:798]
{rank 0/64} MD step = 27400 step time: 00:00:00.340131 Performance: 28.296 ns/day 0.848 hours/ns 1.637 steps/s 2024-05-17 23:19:01,884 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27400 5480 71.16 -28243 7799.3 -36042 -36042 0.88787 -0.57797 -0.10578 52065 2024-05-17 23:19:36,041 INFO [main.py:798]
{rank 0/64} MD step = 27500 step time: 00:00:00.358173 Performance: 28.279 ns/day 0.849 hours/ns 1.636 steps/s 2024-05-17 23:19:52,321 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27500 5500 71.415 -28274 7827.1 -36101 -36101 0.8907 -0.5809 -0.10558 52252 2024-05-17 23:20:28,645 INFO [main.py:798]
{rank 0/64} MD step = 27600 step time: 00:00:00.345188 Performance: 28.293 ns/day 0.848 hours/ns 1.637 steps/s 2024-05-17 23:22:13,662 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27600 5520 70.474 -28273 7724.1 -35997 -35997 0.89419 -0.58267 -0.10652 52413 2024-05-17 23:23:00,960 INFO [main.py:798]
{rank 0/64} MD step = 27700 step time: 00:00:00.350016 Performance: 28.141 ns/day 0.853 hours/ns 1.629 steps/s 2024-05-17 23:23:24,366 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27700 5540 69.07 -28410 7570.2 -35981 -35981 0.89877 -0.58634 -0.10618 52628 2024-05-17 23:23:59,279 INFO [main.py:798]
{rank 0/64} MD step = 27800 step time: 00:00:00.331083 Performance: 28.146 ns/day 0.853 hours/ns 1.629 steps/s 2024-05-17 23:24:21,818 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27800 5560 70.726 -28270 7751.6 -36022 -36022 0.90285 -0.59001 -0.10787 52804 2024-05-17 23:24:55,230 INFO [main.py:798]
{rank 0/64} MD step = 27900 step time: 00:00:00.337978 Performance: 28.155 ns/day 0.852 hours/ns 1.629 steps/s 2024-05-17 23:25:16,571 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27900 5580 70.227 -28467 7697 -36164 -36164 0.90738 -0.592 -0.10707 52958 2024-05-17 23:25:51,656 INFO [main.py:798]
{rank 0/64} MD step = 28000 step time: 00:00:00.350682 Performance: 28.163 ns/day 0.852 hours/ns 1.630 steps/s 2024-05-17 23:26:00,434 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 28000 5600 69.645 -28481 7633.2 -36114 -36114 0.90962 -0.59523 -0.10769 53153 2024-05-17 23:26:34,934 INFO [main.py:798]
{rank 0/64} MD step = 28100 step time: 00:00:00.358078 Performance: 28.193 ns/day 0.851 hours/ns 1.632 steps/s 2024-05-17 23:27:05,397 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 28100 5620 70.76 -28353 7755.3 -36108 -36108 0.91201 -0.59918 -0.10858 53285 2024-05-17 23:27:39,451 INFO [main.py:798]
{rank 0/64} MD step = 28200 step time: 00:00:00.352041 Performance: 28.188 ns/day 0.851 hours/ns 1.631 steps/s 2024-05-17 23:27:59,506 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 28200 5640 70.023 -28225 7674.6 -35900 -35900 0.91537 -0.60325 -0.10875 53517 2024-05-17 23:28:33,571 INFO [main.py:798]
{rank 0/64} MD step = 28300 step time: 00:00:00.343006 Performance: 28.199 ns/day 0.851 hours/ns 1.632 steps/s 2024-05-17 23:28:42,541 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 28300 5660 68.964 -28353 7558.6 -35912 -35912 0.91782 -0.60532 -0.1098 53741 2024-05-17 23:29:18,780 INFO [main.py:798]
{rank 0/64} MD step = 28400 step time: 00:00:00.339269 Performance: 28.225 ns/day 0.850 hours/ns 1.633 steps/s 2024-05-17 23:29:38,321 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 28400 5680 69.863 -28444 7657 -36101 -36101 0.91918 -0.61083 -0.11022 53911 2024-05-17 23:30:12,059 INFO [main.py:798]
{rank 0/64} MD step = 28500 step time: 00:00:00.327560 Performance: 28.238 ns/day 0.850 hours/ns 1.634 steps/s 2024-05-17 23:30:49,626 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 28500 5700 69.492 -28362 7616.4 -35979 -35979 0.92308 -0.61456 -0.11136 54094 2024-05-17 23:31:27,540 INFO [main.py:798]
{rank 0/64} MD step = 28600 step time: 00:00:00.349278 Performance: 28.215 ns/day 0.851 hours/ns 1.633 steps/s 2024-05-17 23:31:50,400 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 28600 5720 70.372 -28314 7712.9 -36027 -36027 0.92898 -0.61783 -0.11029 54302 2024-05-17 23:32:24,173 INFO [main.py:798]
{rank 0/64} MD step = 28700 step time: 00:00:00.361517 Performance: 28.223 ns/day 0.850 hours/ns 1.633 steps/s 2024-05-17 23:33:57,201 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 28700 5740 70.518 -28334 7728.8 -36063 -36063 0.93179 -0.62051 -0.11256 54499 2024-05-17 23:34:34,249 INFO [main.py:798]
{rank 0/64} MD step = 28800 step time: 00:00:00.335232 Performance: 28.113 ns/day 0.854 hours/ns 1.627 steps/s 2024-05-17 23:35:37,358 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 28800 5760 69.336 -28373 7599.3 -35972 -35972 0.93708 -0.62515 -0.11342 54694 2024-05-17 23:36:18,270 INFO [main.py:798]
{rank 0/64} MD step = 28900 step time: 00:00:00.344670 Performance: 28.046 ns/day 0.856 hours/ns 1.623 steps/s 2024-05-17 23:37:36,067 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 28900 5780 69.588 -28578 7626.9 -36205 -36205 0.94087 -0.62733 -0.11467 54857 2024-05-17 23:38:20,252 INFO [main.py:798]
{rank 0/64} MD step = 29000 step time: 00:00:00.368511 Performance: 27.951 ns/day 0.859 hours/ns 1.618 steps/s 2024-05-17 23:38:48,606 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 29000 5800 70.193 -28355 7693.3 -36048 -36048 0.94726 -0.63093 -0.11575 55089 2024-05-17 23:39:23,048 INFO [main.py:798]
{rank 0/64} MD step = 29100 step time: 00:00:00.332045 Performance: 27.950 ns/day 0.859 hours/ns 1.617 steps/s 2024-05-17 23:39:40,652 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 29100 5820 69.284 -28586 7593.6 -36180 -36180 0.95368 -0.63503 -0.11771 55268 2024-05-17 23:40:14,317 INFO [main.py:798]
{rank 0/64} MD step = 29200 step time: 00:00:00.325779 Performance: 27.966 ns/day 0.858 hours/ns 1.618 steps/s 2024-05-17 23:40:24,380 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 29200 5840 71.179 -28149 7801.3 -35950 -35950 0.95952 -0.63777 -0.11776 55486 2024-05-17 23:41:02,548 INFO [main.py:798]
{rank 0/64} MD step = 29300 step time: 00:00:00.344200 Performance: 27.987 ns/day 0.858 hours/ns 1.620 steps/s 2024-05-17 23:41:12,719 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 29300 5860 69.427 -28491 7609.3 -36101 -36101 0.9616 -0.64115 -0.11877 55638 2024-05-17 23:41:47,284 INFO [main.py:798]
{rank 0/64} MD step = 29400 step time: 00:00:00.330971 Performance: 28.013 ns/day 0.857 hours/ns 1.621 steps/s 2024-05-17 23:42:02,962 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 29400 5880 70.03 -28334 7675.4 -36009 -36009 0.96421 -0.64519 -0.12062 55862 2024-05-17 23:42:38,316 INFO [main.py:798]
{rank 0/64} MD step = 29500 step time: 00:00:00.348564 Performance: 28.030 ns/day 0.856 hours/ns 1.622 steps/s 2024-05-17 23:42:57,253 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 29500 5900 68.848 -28608 7545.8 -36154 -36154 0.96635 -0.64645 -0.12168 56036 2024-05-17 23:43:33,420 INFO [main.py:798]
{rank 0/64} MD step = 29600 step time: 00:00:00.367889 Performance: 28.040 ns/day 0.856 hours/ns 1.623 steps/s 2024-05-17 23:44:00,319 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 29600 5920 69.991 -28221 7671.1 -35892 -35892 0.97004 -0.6483 -0.12271 56265 2024-05-17 23:44:34,523 INFO [main.py:798]
{rank 0/64} MD step = 29700 step time: 00:00:00.351910 Performance: 28.041 ns/day 0.856 hours/ns 1.623 steps/s 2024-05-17 23:45:40,167 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 29700 5940 70.159 -28384 7689.5 -36074 -36074 0.97303 -0.64948 -0.12313 56445 2024-05-17 23:46:16,696 INFO [main.py:798]
{rank 0/64} MD step = 29800 step time: 00:00:00.351499 Performance: 27.979 ns/day 0.858 hours/ns 1.619 steps/s 2024-05-17 23:47:15,331 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 29800 5960 69.496 -28168 7616.9 -35785 -35785 0.97499 -0.65352 -0.12534 56659 2024-05-17 23:47:49,947 INFO [main.py:798]
{rank 0/64} MD step = 29900 step time: 00:00:00.340067 Performance: 27.931 ns/day 0.859 hours/ns 1.616 steps/s 2024-05-17 23:48:34,361 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 29900 5980 70.831 -28239 7763.2 -36002 -36002 0.97802 -0.65531 -0.12713 56799 2024-05-17 23:49:35,878 INFO [main.py:798]
{rank 0/64} MD step = 30000 step time: 00:00:00.349571 Performance: 27.865 ns/day 0.861 hours/ns 1.613 steps/s 2024-05-17 23:50:13,683 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30000 6000 69.933 -28322 7664.8 -35986 -35986 0.98272 -0.65623 -0.1275 57004 2024-05-17 23:50:49,924 INFO [main.py:798]
{rank 0/64} MD step = 30100 step time: 00:00:00.351869 Performance: 27.847 ns/day 0.862 hours/ns 1.612 steps/s 2024-05-17 23:51:17,372 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30100 6020 69.285 -28486 7593.7 -36080 -36080 0.98844 -0.6595 -0.129 57181 2024-05-17 23:51:56,994 INFO [main.py:798]
{rank 0/64} MD step = 30200 step time: 00:00:00.349852 Performance: 27.840 ns/day 0.862 hours/ns 1.611 steps/s 2024-05-17 23:52:22,662 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30200 6040 68.916 -28602 7553.2 -36155 -36155 0.99191 -0.66354 -0.13045 57339 2024-05-17 23:52:57,977 INFO [main.py:798]
{rank 0/64} MD step = 30300 step time: 00:00:00.352342 Performance: 27.841 ns/day 0.862 hours/ns 1.611 steps/s 2024-05-17 23:53:48,116 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30300 6060 70.195 -28350 7693.4 -36044 -36044 0.99773 -0.66546 -0.13025 57564 2024-05-17 23:54:23,463 INFO [main.py:798]
{rank 0/64} MD step = 30400 step time: 00:00:00.351155 Performance: 27.807 ns/day 0.863 hours/ns 1.609 steps/s 2024-05-17 23:54:38,802 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30400 6080 70.052 -28463 7677.8 -36141 -36141 1.0005 -0.66867 -0.13074 57704 2024-05-17 23:55:24,847 INFO [main.py:798]
{rank 0/64} MD step = 30500 step time: 00:00:00.359413 Performance: 27.808 ns/day 0.863 hours/ns 1.609 steps/s 2024-05-17 23:56:04,094 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30500 6100 70.446 -28332 7721 -36053 -36053 1.0032 -0.67231 -0.13155 57924 2024-05-17 23:56:39,466 INFO [main.py:798]
{rank 0/64} MD step = 30600 step time: 00:00:00.341392 Performance: 27.790 ns/day 0.864 hours/ns 1.608 steps/s 2024-05-17 23:57:32,068 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30600 6120 70.722 -28549 7751.2 -36300 -36300 1.0071 -0.67497 -0.13197 58072 2024-05-17 23:58:05,202 INFO [main.py:798]
{rank 0/64} MD step = 30700 step time: 00:00:00.347248 Performance: 27.755 ns/day 0.865 hours/ns 1.606 steps/s 2024-05-17 23:58:52,848 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30700 6140 69.457 -28538 7612.6 -36151 -36151 1.0114 -0.67911 -0.13281 58330 2024-05-17 23:59:40,529 INFO [main.py:798]
{rank 0/64} MD step = 30800 step time: 00:00:00.352621 Performance: 27.708 ns/day 0.866 hours/ns 1.603 steps/s 2024-05-18 00:00:51,160 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30800 6160 69.569 -28588 7624.8 -36213 -36213 1.0141 -0.68142 -0.13448 58507 2024-05-18 00:01:33,641 INFO [main.py:798]
{rank 0/64} MD step = 30900 step time: 00:00:00.352413 Performance: 27.635 ns/day 0.868 hours/ns 1.599 steps/s 2024-05-18 00:02:04,196 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30900 6180 70.195 -28496 7693.5 -36189 -36189 1.0177 -0.68516 -0.13607 58725 2024-05-18 00:02:41,302 INFO [main.py:798]
{rank 0/64} MD step = 31000 step time: 00:00:00.336149 Performance: 27.627 ns/day 0.869 hours/ns 1.599 steps/s 2024-05-18 00:03:06,648 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31000 6200 69.84 -28499 7654.5 -36153 -36153 1.0193 -0.68739 -0.13612 58921 2024-05-18 00:03:45,187 INFO [main.py:798]
{rank 0/64} MD step = 31100 step time: 00:00:00.339994 Performance: 27.626 ns/day 0.869 hours/ns 1.599 steps/s 2024-05-18 00:04:29,571 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31100 6220 70.154 -28701 7689 -36390 -36390 1.0227 -0.69151 -0.13689 59044 2024-05-18 00:05:03,859 INFO [main.py:798]
{rank 0/64} MD step = 31200 step time: 00:00:00.335798 Performance: 27.603 ns/day 0.869 hours/ns 1.597 steps/s 2024-05-18 00:05:21,113 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31200 6240 68.971 -28595 7559.3 -36154 -36154 1.0241 -0.69356 -0.13803 59255 2024-05-18 00:05:58,353 INFO [main.py:798]
{rank 0/64} MD step = 31300 step time: 00:00:00.370924 Performance: 27.614 ns/day 0.869 hours/ns 1.598 steps/s 2024-05-18 00:06:52,212 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31300 6260 69.78 -28562 7648 -36210 -36210 1.0282 -0.69446 -0.13883 59448 2024-05-18 00:07:27,108 INFO [main.py:798]
{rank 0/64} MD step = 31400 step time: 00:00:00.326723 Performance: 27.577 ns/day 0.870 hours/ns 1.596 steps/s 2024-05-18 00:07:54,317 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31400 6280 69.481 -28411 7615.2 -36026 -36026 1.0314 -0.6965 -0.13946 59637 2024-05-18 00:08:28,407 INFO [main.py:798]
{rank 0/64} MD step = 31500 step time: 00:00:00.359064 Performance: 27.579 ns/day 0.870 hours/ns 1.596 steps/s 2024-05-18 00:09:18,619 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31500 6300 70.066 -28337 7679.4 -36016 -36016 1.035 -0.69905 -0.13958 59842 2024-05-18 00:09:56,741 INFO [main.py:798]
{rank 0/64} MD step = 31600 step time: 00:00:00.345350 Performance: 27.544 ns/day 0.871 hours/ns 1.594 steps/s 2024-05-18 00:10:25,733 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31600 6320 69.966 -28363 7668.3 -36032 -36032 1.0387 -0.70293 -0.14092 60032 2024-05-18 00:11:01,218 INFO [main.py:798]
{rank 0/64} MD step = 31700 step time: 00:00:00.367653 Performance: 27.541 ns/day 0.871 hours/ns 1.594 steps/s 2024-05-18 00:11:12,289 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31700 6340 70.636 -28349 7741.7 -36091 -36091 1.0418 -0.70543 -0.14214 60197 2024-05-18 00:11:47,497 INFO [main.py:798]
{rank 0/64} MD step = 31800 step time: 00:00:00.327946 Performance: 27.564 ns/day 0.871 hours/ns 1.595 steps/s 2024-05-18 00:12:09,766 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31800 6360 70.448 -28596 7721.2 -36317 -36317 1.0451 -0.70834 -0.14195 60353 2024-05-18 00:12:43,856 INFO [main.py:798]
{rank 0/64} MD step = 31900 step time: 00:00:00.337097 Performance: 27.573 ns/day 0.870 hours/ns 1.596 steps/s 2024-05-18 00:13:06,712 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31900 6380 69.711 -28552 7640.5 -36192 -36192 1.0487 -0.71193 -0.14201 60572 2024-05-18 00:13:46,990 INFO [main.py:798]
{rank 0/64} MD step = 32000 step time: 00:00:00.326547 Performance: 27.572 ns/day 0.870 hours/ns 1.596 steps/s 2024-05-18 00:14:11,691 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32000 6400 69.542 -28599 7621.8 -36221 -36221 1.051 -0.71608 -0.14347 60802 2024-05-18 00:14:46,294 INFO [main.py:798]
{rank 0/64} MD step = 32100 step time: 00:00:00.349173 Performance: 27.577 ns/day 0.870 hours/ns 1.596 steps/s 2024-05-18 00:15:24,586 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32100 6420 69.747 -28464 7644.3 -36108 -36108 1.0556 -0.71844 -0.14384 60997 2024-05-18 00:16:00,327 INFO [main.py:798]
{rank 0/64} MD step = 32200 step time: 00:00:00.371216 Performance: 27.561 ns/day 0.871 hours/ns 1.595 steps/s 2024-05-18 00:16:34,204 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32200 6440 69.405 -28578 7606.9 -36184 -36184 1.0567 -0.72233 -0.14528 61213 2024-05-18 00:17:08,874 INFO [main.py:798]
{rank 0/64} MD step = 32300 step time: 00:00:00.326716 Performance: 27.553 ns/day 0.871 hours/ns 1.595 steps/s 2024-05-18 00:17:29,799 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32300 6460 70.01 -28469 7673.2 -36142 -36142 1.0607 -0.72556 -0.14606 61420 2024-05-18 00:18:12,566 INFO [main.py:798]
{rank 0/64} MD step = 32400 step time: 00:00:00.348460 Performance: 27.552 ns/day 0.871 hours/ns 1.594 steps/s 2024-05-18 00:18:55,647 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32400 6480 70.389 -28537 7714.7 -36251 -36251 1.064 -0.72945 -0.14671 61565 2024-05-18 00:19:30,436 INFO [main.py:798]
{rank 0/64} MD step = 32500 step time: 00:00:00.345594 Performance: 27.531 ns/day 0.872 hours/ns 1.593 steps/s 2024-05-18 00:19:53,402 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32500 6500 69.829 -28413 7653.4 -36066 -36066 1.0666 -0.73147 -0.14747 61782 2024-05-18 00:20:28,999 INFO [main.py:798]
{rank 0/64} MD step = 32600 step time: 00:00:00.350158 Performance: 27.537 ns/day 0.872 hours/ns 1.594 steps/s 2024-05-18 00:20:53,110 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32600 6520 69.1 -28435 7573.5 -36009 -36009 1.0693 -0.73566 -0.14887 62013 2024-05-18 00:21:32,096 INFO [main.py:798]
{rank 0/64} MD step = 32700 step time: 00:00:00.351790 Performance: 27.537 ns/day 0.872 hours/ns 1.594 steps/s 2024-05-18 00:22:18,793 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32700 6540 69.433 -28500 7610 -36110 -36110 1.0718 -0.73918 -0.15071 62176 2024-05-18 00:22:58,281 INFO [main.py:798]
{rank 0/64} MD step = 32800 step time: 00:00:00.370145 Performance: 27.505 ns/day 0.873 hours/ns 1.592 steps/s 2024-05-18 00:23:26,588 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32800 6560 69.665 -28358 7635.4 -35994 -35994 1.0731 -0.74137 -0.15123 62354 2024-05-18 00:24:16,032 INFO [main.py:798]
{rank 0/64} MD step = 32900 step time: 00:00:00.348706 Performance: 27.485 ns/day 0.873 hours/ns 1.591 steps/s 2024-05-18 00:24:54,730 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32900 6580 71.228 -28260 7806.7 -36067 -36067 1.0758 -0.74454 -0.15121 62548 2024-05-18 00:25:30,297 INFO [main.py:798]
{rank 0/64} MD step = 33000 step time: 00:00:00.348943 Performance: 27.470 ns/day 0.874 hours/ns 1.590 steps/s 2024-05-18 00:26:02,481 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33000 6600 70.471 -28364 7723.7 -36087 -36087 1.0781 -0.74873 -0.15319 62730 2024-05-18 00:26:38,970 INFO [main.py:798]
{rank 0/64} MD step = 33100 step time: 00:00:00.352782 Performance: 27.463 ns/day 0.874 hours/ns 1.589 steps/s 2024-05-18 00:27:10,778 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33100 6620 69.309 -28625 7596.4 -36222 -36222 1.0818 -0.75378 -0.15187 62862 2024-05-18 00:27:47,207 INFO [main.py:798]
{rank 0/64} MD step = 33200 step time: 00:00:00.327888 Performance: 27.456 ns/day 0.874 hours/ns 1.589 steps/s 2024-05-18 00:28:05,402 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33200 6640 69.728 -28414 7642.3 -36056 -36056 1.0835 -0.75658 -0.15268 63046 2024-05-18 00:28:39,687 INFO [main.py:798]
{rank 0/64} MD step = 33300 step time: 00:00:00.338454 Performance: 27.469 ns/day 0.874 hours/ns 1.590 steps/s 2024-05-18 00:29:10,068 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33300 6660 69.566 -28566 7624.5 -36190 -36190 1.0848 -0.75949 -0.15458 63223 2024-05-18 00:29:45,505 INFO [main.py:798]
{rank 0/64} MD step = 33400 step time: 00:00:00.350233 Performance: 27.466 ns/day 0.874 hours/ns 1.589 steps/s 2024-05-18 00:30:13,716 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33400 6680 70.4 -28518 7715.9 -36234 -36234 1.0868 -0.76317 -0.15492 63411 2024-05-18 00:30:56,428 INFO [main.py:798]
{rank 0/64} MD step = 33500 step time: 00:00:00.350117 Performance: 27.455 ns/day 0.874 hours/ns 1.589 steps/s 2024-05-18 00:31:29,385 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33500 6700 71.147 -28301 7797.8 -36099 -36099 1.0903 -0.76709 -0.1541 63619 2024-05-18 00:32:04,454 INFO [main.py:798]
{rank 0/64} MD step = 33600 step time: 00:00:00.353860 Performance: 27.449 ns/day 0.874 hours/ns 1.588 steps/s 2024-05-18 00:32:46,236 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33600 6720 70.77 -28614 7756.4 -36371 -36371 1.0927 -0.76941 -0.1549 63785 2024-05-18 00:33:28,733 INFO [main.py:798]
{rank 0/64} MD step = 33700 step time: 00:00:00.339629 Performance: 27.421 ns/day 0.875 hours/ns 1.587 steps/s 2024-05-18 00:34:17,929 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33700 6740 69.103 -28667 7573.7 -36241 -36241 1.0943 -0.77364 -0.15483 63974 2024-05-18 00:34:54,825 INFO [main.py:798]
{rank 0/64} MD step = 33800 step time: 00:00:00.343855 Performance: 27.391 ns/day 0.876 hours/ns 1.585 steps/s 2024-05-18 00:35:33,980 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33800 6760 70.408 -28641 7716.8 -36357 -36357 1.0969 -0.77611 -0.15555 64152 2024-05-18 00:36:10,858 INFO [main.py:798]
{rank 0/64} MD step = 33900 step time: 00:00:00.336000 Performance: 27.375 ns/day 0.877 hours/ns 1.584 steps/s 2024-05-18 00:36:56,822 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33900 6780 69.092 -28620 7572.5 -36192 -36192 1.0999 -0.77958 -0.15894 64386 2024-05-18 00:37:31,108 INFO [main.py:798]
{rank 0/64} MD step = 34000 step time: 00:00:00.327332 Performance: 27.353 ns/day 0.877 hours/ns 1.583 steps/s 2024-05-18 00:37:57,592 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34000 6800 69.716 -28471 7640.9 -36112 -36112 1.1046 -0.78165 -0.1605 64558 2024-05-18 00:38:35,909 INFO [main.py:798]
{rank 0/64} MD step = 34100 step time: 00:00:00.350061 Performance: 27.351 ns/day 0.877 hours/ns 1.583 steps/s 2024-05-18 00:39:42,044 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34100 6820 69.088 -28669 7572.1 -36241 -36241 1.1079 -0.78454 -0.16178 64730 2024-05-18 00:40:20,574 INFO [main.py:798]
{rank 0/64} MD step = 34200 step time: 00:00:00.335092 Performance: 27.298 ns/day 0.879 hours/ns 1.580 steps/s 2024-05-18 00:40:36,631 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34200 6840 70.135 -28514 7686.9 -36201 -36201 1.1104 -0.78822 -0.16309 64883 2024-05-18 00:41:28,896 INFO [main.py:798]
{rank 0/64} MD step = 34300 step time: 00:00:00.351738 Performance: 27.292 ns/day 0.879 hours/ns 1.579 steps/s 2024-05-18 00:41:55,998 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34300 6860 69.457 -28549 7612.5 -36162 -36162 1.1125 -0.79142 -0.16367 65085 2024-05-18 00:42:30,573 INFO [main.py:798]
{rank 0/64} MD step = 34400 step time: 00:00:00.352331 Performance: 27.294 ns/day 0.879 hours/ns 1.580 steps/s 2024-05-18 00:42:43,537 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34400 6880 70.308 -28555 7705.8 -36261 -36261 1.1144 -0.79618 -0.16542 65246 2024-05-18 00:43:23,006 INFO [main.py:798]
{rank 0/64} MD step = 34500 step time: 00:00:00.345102 Performance: 27.308 ns/day 0.879 hours/ns 1.580 steps/s 2024-05-18 00:44:06,471 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34500 6900 70.415 -28552 7717.5 -36269 -36269 1.1188 -0.79875 -0.16645 65431 2024-05-18 00:44:40,927 INFO [main.py:798]
{rank 0/64} MD step = 34600 step time: 00:00:00.349349 Performance: 27.290 ns/day 0.879 hours/ns 1.579 steps/s 2024-05-18 00:45:31,345 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34600 6920 69.842 -28421 7654.8 -36076 -36076 1.1228 -0.80143 -0.16766 65660 2024-05-18 00:46:06,326 INFO [main.py:798]
{rank 0/64} MD step = 34700 step time: 00:00:00.350596 Performance: 27.262 ns/day 0.880 hours/ns 1.578 steps/s 2024-05-18 00:46:33,739 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34700 6940 69.84 -28290 7654.6 -35945 -35945 1.1242 -0.80456 -0.16989 65837 2024-05-18 00:47:10,038 INFO [main.py:798]
{rank 0/64} MD step = 34800 step time: 00:00:00.338449 Performance: 27.262 ns/day 0.880 hours/ns 1.578 steps/s 2024-05-18 00:47:36,235 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34800 6960 69.358 -28524 7601.7 -36126 -36126 1.1265 -0.80812 -0.16915 65986 2024-05-18 00:48:12,994 INFO [main.py:798]
{rank 0/64} MD step = 34900 step time: 00:00:00.327732 Performance: 27.262 ns/day 0.880 hours/ns 1.578 steps/s 2024-05-18 00:48:42,458 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34900 6980 68.826 -28655 7543.4 -36198 -36198 1.1292 -0.81035 -0.1681 66212 2024-05-18 00:49:23,843 INFO [main.py:798]
{rank 0/64} MD step = 35000 step time: 00:00:00.365863 Performance: 27.253 ns/day 0.881 hours/ns 1.577 steps/s 2024-05-18 00:50:08,181 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35000 7000 70.596 -28378 7737.5 -36115 -36115 1.1335 -0.81418 -0.16942 66398 2024-05-18 00:50:45,216 INFO [main.py:798]
{rank 0/64} MD step = 35100 step time: 00:00:00.347943 Performance: 27.231 ns/day 0.881 hours/ns 1.576 steps/s 2024-05-18 00:51:31,267 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35100 7020 69.729 -28439 7642.4 -36081 -36081 1.1386 -0.81704 -0.17152 66569 2024-05-18 00:52:06,905 INFO [main.py:798]
{rank 0/64} MD step = 35200 step time: 00:00:00.349757 Performance: 27.209 ns/day 0.882 hours/ns 1.575 steps/s 2024-05-18 00:52:53,750 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35200 7040 70.284 -28398 7703.2 -36101 -36101 1.1383 -0.81986 -0.17271 66826 2024-05-18 00:53:33,557 INFO [main.py:798]
{rank 0/64} MD step = 35300 step time: 00:00:00.368115 Performance: 27.181 ns/day 0.883 hours/ns 1.573 steps/s 2024-05-18 00:53:53,336 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35300 7060 69.844 -28509 7655 -36164 -36164 1.1414 -0.82155 -0.1735 66996 2024-05-18 00:54:28,117 INFO [main.py:798]
{rank 0/64} MD step = 35400 step time: 00:00:00.340780 Performance: 27.192 ns/day 0.883 hours/ns 1.574 steps/s 2024-05-18 00:54:59,966 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35400 7080 69.473 -28660 7614.3 -36275 -36275 1.1448 -0.82505 -0.17618 67148 2024-05-18 00:55:38,932 INFO [main.py:798]
{rank 0/64} MD step = 35500 step time: 00:00:00.327703 Performance: 27.183 ns/day 0.883 hours/ns 1.573 steps/s 2024-05-18 00:56:03,885 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35500 7100 70.265 -28395 7701.2 -36096 -36096 1.1482 -0.82862 -0.1751 67348 2024-05-18 00:56:56,938 INFO [main.py:798]
{rank 0/64} MD step = 35600 step time: 00:00:00.339296 Performance: 27.166 ns/day 0.883 hours/ns 1.572 steps/s 2024-05-18 00:57:33,006 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35600 7120 70.545 -28413 7731.9 -36145 -36145 1.151 -0.83138 -0.17603 67526 2024-05-18 00:58:11,189 INFO [main.py:798]
{rank 0/64} MD step = 35700 step time: 00:00:00.343566 Performance: 27.153 ns/day 0.884 hours/ns 1.571 steps/s 2024-05-18 00:58:33,824 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35700 7140 69.795 -28565 7649.6 -36215 -36215 1.1536 -0.83525 -0.17647 67709 2024-05-18 00:59:10,144 INFO [main.py:798]
{rank 0/64} MD step = 35800 step time: 00:00:00.347919 Performance: 27.159 ns/day 0.884 hours/ns 1.572 steps/s 2024-05-18 00:59:51,512 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35800 7160 70.316 -28396 7706.8 -36103 -36103 1.1558 -0.83746 -0.17597 67929 2024-05-18 01:00:34,941 INFO [main.py:798]
{rank 0/64} MD step = 35900 step time: 00:00:00.358218 Performance: 27.133 ns/day 0.885 hours/ns 1.570 steps/s 2024-05-18 01:00:54,540 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35900 7180 68.972 -28766 7559.4 -36325 -36325 1.1586 -0.84121 -0.17582 68109 2024-05-18 01:01:29,685 INFO [main.py:798]
{rank 0/64} MD step = 36000 step time: 00:00:00.344246 Performance: 27.144 ns/day 0.884 hours/ns 1.571 steps/s 2024-05-18 01:01:58,864 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36000 7200 69.857 -28560 7656.5 -36217 -36217 1.1616 -0.84357 -0.1767 68331 2024-05-18 01:02:36,850 INFO [main.py:798]
{rank 0/64} MD step = 36100 step time: 00:00:00.332454 Performance: 27.140 ns/day 0.884 hours/ns 1.571 steps/s 2024-05-18 01:02:59,021 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36100 7220 69.77 -28636 7646.9 -36283 -36283 1.1648 -0.84569 -0.17768 68498 2024-05-18 01:03:34,740 INFO [main.py:798]
{rank 0/64} MD step = 36200 step time: 00:00:00.379704 Performance: 27.147 ns/day 0.884 hours/ns 1.571 steps/s 2024-05-18 01:04:11,084 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36200 7240 70.106 -28433 7683.7 -36117 -36117 1.169 -0.84713 -0.17839 68715 2024-05-18 01:04:55,637 INFO [main.py:798]
{rank 0/64} MD step = 36300 step time: 00:00:00.373529 Performance: 27.126 ns/day 0.885 hours/ns 1.570 steps/s 2024-05-18 01:05:25,681 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36300 7260 70.145 -28541 7688 -36229 -36229 1.1713 -0.85115 -0.17971 68874 2024-05-18 01:06:00,632 INFO [main.py:798]
{rank 0/64} MD step = 36400 step time: 00:00:00.350794 Performance: 27.125 ns/day 0.885 hours/ns 1.570 steps/s 2024-05-18 01:06:22,491 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36400 7280 69.618 -28756 7630.2 -36386 -36386 1.1742 -0.85492 -0.17856 69056 2024-05-18 01:06:57,133 INFO [main.py:798]
{rank 0/64} MD step = 36500 step time: 00:00:00.350548 Performance: 27.133 ns/day 0.885 hours/ns 1.570 steps/s 2024-05-18 01:07:21,091 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36500 7300 70.414 -28428 7717.5 -36145 -36145 1.1788 -0.85719 -0.17791 69257 2024-05-18 01:07:57,198 INFO [main.py:798]
{rank 0/64} MD step = 36600 step time: 00:00:00.332721 Performance: 27.138 ns/day 0.884 hours/ns 1.570 steps/s 2024-05-18 01:08:21,368 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36600 7320 69.874 -28510 7658.3 -36168 -36168 1.1826 -0.85955 -0.1794 69420 2024-05-18 01:08:55,912 INFO [main.py:798]
{rank 0/64} MD step = 36700 step time: 00:00:00.349328 Performance: 27.143 ns/day 0.884 hours/ns 1.571 steps/s 2024-05-18 01:09:14,032 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36700 7340 70.433 -28485 7719.6 -36204 -36204 1.1872 -0.86358 -0.18035 69628 2024-05-18 01:09:59,940 INFO [main.py:798]
{rank 0/64} MD step = 36800 step time: 00:00:00.356331 Performance: 27.143 ns/day 0.884 hours/ns 1.571 steps/s 2024-05-18 01:10:14,369 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36800 7360 69.817 -28567 7652 -36219 -36219 1.1889 -0.86639 -0.18304 69831 2024-05-18 01:10:48,849 INFO [main.py:798]
{rank 0/64} MD step = 36900 step time: 00:00:00.350261 Performance: 27.160 ns/day 0.884 hours/ns 1.572 steps/s 2024-05-18 01:11:17,724 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36900 7380 69.731 -28557 7642.6 -36199 -36199 1.1926 -0.86828 -0.18428 70004 2024-05-18 01:12:01,268 INFO [main.py:798]
{rank 0/64} MD step = 37000 step time: 00:00:00.366110 Performance: 27.150 ns/day 0.884 hours/ns 1.571 steps/s 2024-05-18 01:12:24,211 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 37000 7400 70.392 -28564 7715 -36279 -36279 1.1953 -0.87128 -0.18561 70178 2024-05-18 01:12:58,603 INFO [main.py:798]
{rank 0/64} MD step = 37100 step time: 00:00:00.350623 Performance: 27.157 ns/day 0.884 hours/ns 1.572 steps/s 2024-05-18 01:13:27,148 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 37100 7420 69.687 -28622 7637.7 -36260 -36260 1.1997 -0.87521 -0.18558 70392 2024-05-18 01:14:01,178 INFO [main.py:798]
{rank 0/64} MD step = 37200 step time: 00:00:00.346298 Performance: 27.158 ns/day 0.884 hours/ns 1.572 steps/s 2024-05-18 01:14:17,831 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 37200 7440 69.905 -28554 7661.7 -36215 -36215 1.2023 -0.87746 -0.18435 70577 2024-05-18 01:14:57,071 INFO [main.py:798]
{rank 0/64} MD step = 37300 step time: 00:00:00.364936 Performance: 27.167 ns/day 0.883 hours/ns 1.572 steps/s 2024-05-18 01:15:17,624 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 37300 7460 69.823 -28442 7652.6 -36094 -36094 1.2044 -0.88062 -0.18512 70778 2024-05-18 01:15:52,379 INFO [main.py:798]
{rank 0/64} MD step = 37400 step time: 00:00:00.327062 Performance: 27.177 ns/day 0.883 hours/ns 1.573 steps/s 2024-05-18 01:16:09,805 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 37400 7480 69.498 -28563 7617.1 -36180 -36180 1.2074 -0.88318 -0.18441 70980 2024-05-18 01:16:44,027 INFO [main.py:798]
{rank 0/64} MD step = 37500 step time: 00:00:00.326638 Performance: 27.190 ns/day 0.883 hours/ns 1.574 steps/s 2024-05-18 01:17:04,736 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 37500 7500 70.276 -28496 7702.3 -36199 -36199 1.2105 -0.8875 -0.18477 71126 2024-05-18 01:17:42,034 INFO [main.py:798]
{rank 0/64} MD step = 37600 step time: 00:00:00.350116 Performance: 27.196 ns/day 0.882 hours/ns 1.574 steps/s 2024-05-18 01:18:04,440 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 37600 7520 70.767 -28438 7756.1 -36194 -36194 1.2114 -0.89123 -0.18569 71315 2024-05-18 01:18:40,271 INFO [main.py:798]
{rank 0/64} MD step = 37700 step time: 00:00:00.340689 Performance: 27.203 ns/day 0.882 hours/ns 1.574 steps/s 2024-05-18 01:19:05,010 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 37700 7540 69.72 -28362 7641.4 -36003 -36003 1.2153 -0.89412 -0.18581 71504 2024-05-18 01:19:39,667 INFO [main.py:798]
{rank 0/64} MD step = 37800 step time: 00:00:00.351163 Performance: 27.207 ns/day 0.882 hours/ns 1.574 steps/s 2024-05-18 01:20:00,657 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 37800 7560 69.473 -28417 7614.3 -36031 -36031 1.2183 -0.89787 -0.18711 71682 2024-05-18 01:20:36,273 INFO [main.py:798]
{rank 0/64} MD step = 37900 step time: 00:00:00.352212 Performance: 27.215 ns/day 0.882 hours/ns 1.575 steps/s 2024-05-18 01:20:50,588 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 37900 7580 70.313 -28537 7706.4 -36244 -36244 1.2208 -0.89916 -0.18629 71856 2024-05-18 01:21:24,979 INFO [main.py:798]
{rank 0/64} MD step = 38000 step time: 00:00:00.360007 Performance: 27.232 ns/day 0.881 hours/ns 1.576 steps/s 2024-05-18 01:21:45,737 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38000 7600 70.189 -28390 7692.9 -36083 -36083 1.2246 -0.89999 -0.18765 72069 2024-05-18 01:22:28,462 INFO [main.py:798]
{rank 0/64} MD step = 38100 step time: 00:00:00.340604 Performance: 27.232 ns/day 0.881 hours/ns 1.576 steps/s 2024-05-18 01:23:00,523 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38100 7620 69.187 -28606 7583 -36189 -36189 1.2287 -0.90226 -0.18873 72241 2024-05-18 01:23:42,335 INFO [main.py:798]
{rank 0/64} MD step = 38200 step time: 00:00:00.365868 Performance: 27.220 ns/day 0.882 hours/ns 1.575 steps/s 2024-05-18 01:24:03,147 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38200 7640 69.349 -28668 7600.7 -36269 -36269 1.2298 -0.90553 -0.1887 72399 2024-05-18 01:24:41,647 INFO [main.py:798]
{rank 0/64} MD step = 38300 step time: 00:00:00.348833 Performance: 27.225 ns/day 0.882 hours/ns 1.575 steps/s 2024-05-18 01:26:00,258 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38300 7660 70.377 -28443 7713.4 -36157 -36157 1.2338 -0.90803 -0.18856 72571 2024-05-18 01:26:37,927 INFO [main.py:798]
{rank 0/64} MD step = 38400 step time: 00:00:00.350065 Performance: 27.166 ns/day 0.883 hours/ns 1.572 steps/s 2024-05-18 01:27:35,264 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38400 7680 69.666 -28551 7635.5 -36186 -36186 1.2372 -0.9111 -0.19062 72810 2024-05-18 01:28:30,033 INFO [main.py:798]
{rank 0/64} MD step = 38500 step time: 00:00:00.371090 Performance: 27.112 ns/day 0.885 hours/ns 1.569 steps/s 2024-05-18 01:29:00,151 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38500 7700 69.459 -28591 7612.8 -36204 -36204 1.2397 -0.91229 -0.191 72955 2024-05-18 01:29:34,285 INFO [main.py:798]
{rank 0/64} MD step = 38600 step time: 00:00:00.352493 Performance: 27.112 ns/day 0.885 hours/ns 1.569 steps/s 2024-05-18 01:29:55,668 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38600 7720 69.739 -28486 7643.5 -36130 -36130 1.2442 -0.91449 -0.19308 73128 2024-05-18 01:30:46,190 INFO [main.py:798]
{rank 0/64} MD step = 38700 step time: 00:00:00.375178 Performance: 27.103 ns/day 0.886 hours/ns 1.568 steps/s 2024-05-18 01:31:29,992 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38700 7740 70.902 -28365 7770.9 -36136 -36136 1.2476 -0.91636 -0.19437 73312 2024-05-18 01:32:04,881 INFO [main.py:798]
{rank 0/64} MD step = 38800 step time: 00:00:00.347918 Performance: 27.086 ns/day 0.886 hours/ns 1.567 steps/s 2024-05-18 01:32:37,753 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38800 7760 70.395 -28392 7715.4 -36107 -36107 1.2477 -0.92146 -0.19506 73493 2024-05-18 01:33:16,977 INFO [main.py:798]
{rank 0/64} MD step = 38900 step time: 00:00:00.354359 Performance: 27.077 ns/day 0.886 hours/ns 1.567 steps/s 2024-05-18 01:33:28,752 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38900 7780 70.732 -28331 7752.3 -36083 -36083 1.2511 -0.92666 -0.19563 73650 2024-05-18 01:34:04,196 INFO [main.py:798]
{rank 0/64} MD step = 39000 step time: 00:00:00.326989 Performance: 27.095 ns/day 0.886 hours/ns 1.568 steps/s 2024-05-18 01:34:49,785 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 39000 7800 69.555 -28534 7623.3 -36157 -36157 1.255 -0.92981 -0.19537 73812 2024-05-18 01:35:24,201 INFO [main.py:798]
{rank 0/64} MD step = 39100 step time: 00:00:00.343965 Performance: 27.078 ns/day 0.886 hours/ns 1.567 steps/s 2024-05-18 01:35:52,668 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 39100 7820 70.352 -28393 7710.7 -36103 -36103 1.2572 -0.93175 -0.19673 73975 2024-05-18 01:36:27,973 INFO [main.py:798]
{rank 0/64} MD step = 39200 step time: 00:00:00.370568 Performance: 27.078 ns/day 0.886 hours/ns 1.567 steps/s 2024-05-18 01:37:14,862 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 39200 7840 69.106 -28411 7574.1 -35986 -35986 1.2618 -0.93718 -0.19729 74190 2024-05-18 01:37:50,754 INFO [main.py:798]
{rank 0/64} MD step = 39300 step time: 00:00:00.348676 Performance: 27.057 ns/day 0.887 hours/ns 1.566 steps/s 2024-05-18 01:38:36,968 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 39300 7860 70.122 -28348 7685.5 -36033 -36033 1.2656 -0.94001 -0.20005 74390 2024-05-18 01:39:11,420 INFO [main.py:798]
{rank 0/64} MD step = 39400 step time: 00:00:00.353156 Performance: 27.039 ns/day 0.888 hours/ns 1.565 steps/s 2024-05-18 01:39:48,115 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 39400 7880 69.184 -28627 7582.6 -36210 -36210 1.2691 -0.9428 -0.19886 74567 2024-05-18 01:42:06,110 INFO [main.py:798]
{rank 0/64} MD step = 39500 step time: 00:00:00.371366 Performance: 26.921 ns/day 0.891 hours/ns 1.558 steps/s 2024-05-18 01:42:42,265 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 39500 7900 69.876 -28413 7658.5 -36072 -36072 1.2705 -0.94638 -0.2002 74743 2024-05-18 01:43:17,141 INFO [main.py:798]
{rank 0/64} MD step = 39600 step time: 00:00:00.344133 Performance: 26.914 ns/day 0.892 hours/ns 1.558 steps/s 2024-05-18 01:43:52,284 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 39600 7920 70.312 -28363 7706.3 -36070 -36070 1.2718 -0.94983 -0.19997 74921 2024-05-18 01:44:27,394 INFO [main.py:798]
{rank 0/64} MD step = 39700 step time: 00:00:00.369370 Performance: 26.907 ns/day 0.892 hours/ns 1.557 steps/s 2024-05-18 01:44:40,150 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 39700 7940 70.006 -28394 7672.7 -36066 -36066 1.2753 -0.95369 -0.20115 75112 2024-05-18 01:45:20,136 INFO [main.py:798]
{rank 0/64} MD step = 39800 step time: 00:00:00.358061 Performance: 26.919 ns/day 0.892 hours/ns 1.558 steps/s 2024-05-18 01:45:37,944 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 39800 7960 71.02 -28378 7783.8 -36162 -36162 1.2769 -0.95837 -0.20352 75322 2024-05-18 01:46:15,175 INFO [main.py:798]
{rank 0/64} MD step = 39900 step time: 00:00:00.326102 Performance: 26.929 ns/day 0.891 hours/ns 1.558 steps/s 2024-05-18 01:46:44,987 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 39900 7980 70.161 -28330 7689.7 -36019 -36019 1.2792 -0.96267 -0.20449 75498 2024-05-18 01:47:20,917 INFO [main.py:798]
{rank 0/64} MD step = 40000 step time: 00:00:00.343444 Performance: 26.927 ns/day 0.891 hours/ns 1.558 steps/s 2024-05-18 01:47:48,497 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 40000 8000 69.497 -28396 7616.9 -36013 -36013 1.2824 -0.96583 -0.20506 75722 2024-05-18 01:48:22,458 INFO [main.py:798]
{rank 0/64} MD step = 40100 step time: 00:00:00.338518 Performance: 26.930 ns/day 0.891 hours/ns 1.558 steps/s 2024-05-18 01:48:59,579 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 40100 8020 70.112 -28199 7684.4 -35883 -35883 1.2875 -0.96939 -0.20614 75895 2024-05-18 01:49:34,349 INFO [main.py:798]
{rank 0/64} MD step = 40200 step time: 00:00:00.340325 Performance: 26.922 ns/day 0.891 hours/ns 1.558 steps/s 2024-05-18 01:50:01,311 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 40200 8040 70.563 -28282 7733.8 -36016 -36016 1.2914 -0.97292 -0.20512 76067 2024-05-18 01:50:36,854 INFO [main.py:798]
{rank 0/64} MD step = 40300 step time: 00:00:00.373947 Performance: 26.924 ns/day 0.891 hours/ns 1.558 steps/s 2024-05-18 01:51:06,586 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 40300 8060 70.001 -28377 7672.2 -36049 -36049 1.2928 -0.97716 -0.20647 76288 2024-05-18 01:51:40,615 INFO [main.py:798]
{rank 0/64} MD step = 40400 step time: 00:00:00.350589 Performance: 26.924 ns/day 0.891 hours/ns 1.558 steps/s 2024-05-18 01:52:01,019 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 40400 8080 69.518 -28542 7619.2 -36162 -36162 1.294 -0.98371 -0.2067 76427 2024-05-18 01:52:35,441 INFO [main.py:798]
{rank 0/64} MD step = 40500 step time: 00:00:00.353081 Performance: 26.934 ns/day 0.891 hours/ns 1.559 steps/s 2024-05-18 01:52:58,602 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 40500 8100 69.599 -28326 7628.2 -35954 -35954 1.2994 -0.9892 -0.20803 76643 2024-05-18 01:53:33,829 INFO [main.py:798]
{rank 0/64} MD step = 40600 step time: 00:00:00.352716 Performance: 26.940 ns/day 0.891 hours/ns 1.559 steps/s 2024-05-18 01:53:55,572 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 40600 8120 69.528 -28298 7620.3 -35918 -35918 1.3015 -0.99196 -0.20855 76825 2024-05-18 01:54:39,939 INFO [main.py:798]
{rank 0/64} MD step = 40700 step time: 00:00:00.350720 Performance: 26.938 ns/day 0.891 hours/ns 1.559 steps/s 2024-05-18 01:54:57,860 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 40700 8140 69.982 -28435 7670.1 -36105 -36105 1.3033 -0.9957 -0.20826 76980 2024-05-18 01:55:32,226 INFO [main.py:798]
{rank 0/64} MD step = 40800 step time: 00:00:00.326787 Performance: 26.950 ns/day 0.891 hours/ns 1.560 steps/s 2024-05-18 01:55:57,939 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 40800 8160 70.639 -28196 7742.1 -35938 -35938 1.3061 -0.99916 -0.20883 77215 2024-05-18 01:56:36,606 INFO [main.py:798]
{rank 0/64} MD step = 40900 step time: 00:00:00.359005 Performance: 26.950 ns/day 0.891 hours/ns 1.560 steps/s 2024-05-18 01:56:57,353 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 40900 8180 70.244 -28436 7698.8 -36135 -36135 1.309 -1.0038 -0.20851 77386 2024-05-18 01:57:32,227 INFO [main.py:798]
{rank 0/64} MD step = 41000 step time: 00:00:00.348139 Performance: 26.959 ns/day 0.890 hours/ns 1.560 steps/s 2024-05-18 01:57:47,336 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 41000 8200 70.33 -28314 7708.2 -36022 -36022 1.3133 -1.0086 -0.20847 77553 2024-05-18 01:58:21,255 INFO [main.py:798]
{rank 0/64} MD step = 41100 step time: 00:00:00.331526 Performance: 26.974 ns/day 0.890 hours/ns 1.561 steps/s 2024-05-18 01:58:35,842 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 41100 8220 69.374 -28484 7603.5 -36088 -36088 1.3135 -1.0111 -0.2094 77790 2024-05-18 01:59:10,040 INFO [main.py:798]
{rank 0/64} MD step = 41200 step time: 00:00:00.363516 Performance: 26.990 ns/day 0.889 hours/ns 1.562 steps/s 2024-05-18 02:00:19,265 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 41200 8240 70.004 -28519 7672.5 -36192 -36192 1.3147 -1.0146 -0.20883 77972 2024-05-18 02:00:58,912 INFO [main.py:798]
{rank 0/64} MD step = 41300 step time: 00:00:00.360123 Performance: 26.944 ns/day 0.891 hours/ns 1.559 steps/s 2024-05-18 02:01:42,476 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 41300 8260 69.89 -28509 7660.1 -36169 -36169 1.3184 -1.0189 -0.20931 78139 2024-05-18 02:02:19,721 INFO [main.py:798]
{rank 0/64} MD step = 41400 step time: 00:00:00.346090 Performance: 26.927 ns/day 0.891 hours/ns 1.558 steps/s 2024-05-18 02:02:47,423 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 41400 8280 69.747 -28245 7644.4 -35890 -35890 1.321 -1.0225 -0.2111 78398 2024-05-18 02:03:23,596 INFO [main.py:798]
{rank 0/64} MD step = 41500 step time: 00:00:00.326126 Performance: 26.927 ns/day 0.891 hours/ns 1.558 steps/s 2024-05-18 02:04:09,752 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 41500 8300 70.745 -28438 7753.7 -36192 -36192 1.325 -1.0264 -0.21176 78550 2024-05-18 02:05:44,481 INFO [main.py:798]
{rank 0/64} MD step = 41600 step time: 00:00:00.367692 Performance: 26.850 ns/day 0.894 hours/ns 1.554 steps/s 2024-05-18 02:06:23,797 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 41600 8320 70.383 -28494 7714.1 -36208 -36208 1.3256 -1.0303 -0.21109 78733 2024-05-18 02:06:58,128 INFO [main.py:798]
{rank 0/64} MD step = 41700 step time: 00:00:00.349207 Performance: 26.841 ns/day 0.894 hours/ns 1.553 steps/s 2024-05-18 02:07:37,597 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 41700 8340 70.34 -28439 7709.3 -36148 -36148 1.3251 -1.0333 -0.21175 78902 2024-05-18 02:08:14,407 INFO [main.py:798]
{rank 0/64} MD step = 41800 step time: 00:00:00.351261 Performance: 26.829 ns/day 0.895 hours/ns 1.553 steps/s 2024-05-18 02:09:16,449 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 41800 8360 71.701 -28373 7858.5 -36232 -36232 1.3298 -1.0362 -0.21295 79086 2024-05-18 02:09:51,903 INFO [main.py:798]
{rank 0/64} MD step = 41900 step time: 00:00:00.351930 Performance: 26.796 ns/day 0.896 hours/ns 1.551 steps/s 2024-05-18 02:10:32,004 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 41900 8380 70.768 -28335 7756.3 -36092 -36092 1.3322 -1.041 -0.21357 79278 2024-05-18 02:11:11,161 INFO [main.py:798]
{rank 0/64} MD step = 42000 step time: 00:00:00.351327 Performance: 26.782 ns/day 0.896 hours/ns 1.550 steps/s 2024-05-18 02:11:49,667 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 42000 8400 69.324 -28718 7598 -36316 -36316 1.3353 -1.0447 -0.2147 79433 2024-05-18 02:12:31,845 INFO [main.py:798]
{rank 0/64} MD step = 42100 step time: 00:00:00.348287 Performance: 26.766 ns/day 0.897 hours/ns 1.549 steps/s 2024-05-18 02:12:54,329 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 42100 8420 69.289 -28540 7594.1 -36134 -36134 1.3389 -1.0507 -0.21407 79617 2024-05-18 02:13:30,454 INFO [main.py:798]
{rank 0/64} MD step = 42200 step time: 00:00:00.347063 Performance: 26.771 ns/day 0.896 hours/ns 1.549 steps/s 2024-05-18 02:13:47,763 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 42200 8440 70.135 -28411 7686.9 -36098 -36098 1.3435 -1.0554 -0.21597 79809 2024-05-18 02:14:22,782 INFO [main.py:798]
{rank 0/64} MD step = 42300 step time: 00:00:00.348092 Performance: 26.783 ns/day 0.896 hours/ns 1.550 steps/s 2024-05-18 02:15:02,180 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 42300 8460 69.907 -28551 7661.9 -36213 -36213 1.3468 -1.0597 -0.21784 79979 2024-05-18 02:15:38,274 INFO [main.py:798]
{rank 0/64} MD step = 42400 step time: 00:00:00.368353 Performance: 26.773 ns/day 0.896 hours/ns 1.549 steps/s 2024-05-18 02:16:12,673 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 42400 8480 71.071 -28325 7789.4 -36114 -36114 1.3496 -1.0631 -0.21834 80169 2024-05-18 02:16:49,609 INFO [main.py:798]
{rank 0/64} MD step = 42500 step time: 00:00:00.349947 Performance: 26.766 ns/day 0.897 hours/ns 1.549 steps/s 2024-05-18 02:17:22,774 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 42500 8500 70.593 -28213 7737.1 -35950 -35950 1.3504 -1.0669 -0.21879 80382 2024-05-18 02:17:58,089 INFO [main.py:798]
{rank 0/64} MD step = 42600 step time: 00:00:00.367675 Performance: 26.762 ns/day 0.897 hours/ns 1.549 steps/s 2024-05-18 02:18:18,987 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 42600 8520 68.247 -28679 7479.9 -36159 -36159 1.3533 -1.069 -0.21961 80545 2024-05-18 02:18:58,798 INFO [main.py:798]
{rank 0/64} MD step = 42700 step time: 00:00:00.350768 Performance: 26.766 ns/day 0.897 hours/ns 1.549 steps/s 2024-05-18 02:19:34,828 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 42700 8540 71.511 -28333 7837.6 -36170 -36170 1.3554 -1.0731 -0.22021 80731 2024-05-18 02:20:12,121 INFO [main.py:798]
{rank 0/64} MD step = 42800 step time: 00:00:00.348408 Performance: 26.758 ns/day 0.897 hours/ns 1.548 steps/s 2024-05-18 02:20:53,720 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 42800 8560 69.538 -28591 7621.4 -36213 -36213 1.357 -1.0795 -0.22191 80891 2024-05-18 02:21:29,264 INFO [main.py:798]
{rank 0/64} MD step = 42900 step time: 00:00:00.350582 Performance: 26.745 ns/day 0.897 hours/ns 1.548 steps/s 2024-05-18 02:21:57,810 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 42900 8580 69.754 -28718 7645.2 -36364 -36364 1.3579 -1.0829 -0.22352 81088 2024-05-18 02:22:32,142 INFO [main.py:798]
{rank 0/64} MD step = 43000 step time: 00:00:00.325899 Performance: 26.747 ns/day 0.897 hours/ns 1.548 steps/s 2024-05-18 02:23:10,780 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 43000 8600 69.572 -28559 7625.2 -36184 -36184 1.3609 -1.0877 -0.22429 81294 2024-05-18 02:23:45,452 INFO [main.py:798]
{rank 0/64} MD step = 43100 step time: 00:00:00.350737 Performance: 26.739 ns/day 0.898 hours/ns 1.547 steps/s 2024-05-18 02:23:55,501 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 43100 8620 70.394 -28403 7715.2 -36118 -36118 1.3639 -1.0907 -0.22428 81494 2024-05-18 02:24:40,701 INFO [main.py:798]
{rank 0/64} MD step = 43200 step time: 00:00:00.345757 Performance: 26.748 ns/day 0.897 hours/ns 1.548 steps/s 2024-05-18 02:24:57,973 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 43200 8640 70.17 -28478 7690.7 -36169 -36169 1.3674 -1.0957 -0.22357 81691 2024-05-18 02:25:33,962 INFO [main.py:798]
{rank 0/64} MD step = 43300 step time: 00:00:00.372559 Performance: 26.759 ns/day 0.897 hours/ns 1.549 steps/s 2024-05-18 02:26:20,880 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 43300 8660 69.601 -28549 7628.3 -36178 -36178 1.3707 -1.0983 -0.22357 81902 2024-05-18 02:26:57,702 INFO [main.py:798]
{rank 0/64} MD step = 43400 step time: 00:00:00.330503 Performance: 26.740 ns/day 0.898 hours/ns 1.547 steps/s 2024-05-18 02:27:21,291 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 43400 8680 69.446 -28493 7611.3 -36104 -36104 1.3738 -1.1021 -0.22413 82096 2024-05-18 02:28:01,221 INFO [main.py:798]
{rank 0/64} MD step = 43500 step time: 00:00:00.342488 Performance: 26.741 ns/day 0.897 hours/ns 1.548 steps/s 2024-05-18 02:28:31,662 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 43500 8700 69.318 -28553 7597.4 -36151 -36151 1.3763 -1.1058 -0.22575 82250 2024-05-18 02:29:06,021 INFO [main.py:798]
{rank 0/64} MD step = 43600 step time: 00:00:00.344507 Performance: 26.741 ns/day 0.897 hours/ns 1.548 steps/s 2024-05-18 02:29:43,296 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 43600 8720 70.526 -28491 7729.7 -36221 -36221 1.3781 -1.1095 -0.22639 82423 2024-05-18 02:30:18,120 INFO [main.py:798]
{rank 0/64} MD step = 43700 step time: 00:00:00.468082 Performance: 26.734 ns/day 0.898 hours/ns 1.547 steps/s 2024-05-18 02:30:42,613 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 43700 8740 70.663 -28334 7744.7 -36079 -36079 1.3833 -1.1136 -0.22802 82611 2024-05-18 02:31:17,890 INFO [main.py:798]
{rank 0/64} MD step = 43800 step time: 00:00:00.349263 Performance: 26.739 ns/day 0.898 hours/ns 1.547 steps/s 2024-05-18 02:31:49,432 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 43800 8760 69.827 -28397 7653.1 -36050 -36050 1.387 -1.1177 -0.22923 82844 2024-05-18 02:32:24,913 INFO [main.py:798]
{rank 0/64} MD step = 43900 step time: 00:00:00.337184 Performance: 26.736 ns/day 0.898 hours/ns 1.547 steps/s 2024-05-18 02:33:00,904 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 43900 8780 70.344 -28410 7709.8 -36119 -36119 1.3914 -1.1232 -0.23083 82987 2024-05-18 02:33:35,347 INFO [main.py:798]
{rank 0/64} MD step = 44000 step time: 00:00:00.340353 Performance: 26.731 ns/day 0.898 hours/ns 1.547 steps/s 2024-05-18 02:33:55,433 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44000 8800 71.219 -28158 7805.7 -35963 -35963 1.3958 -1.1281 -0.23147 83192 2024-05-18 02:34:29,935 INFO [main.py:798]
{rank 0/64} MD step = 44100 step time: 00:00:00.326962 Performance: 26.740 ns/day 0.898 hours/ns 1.547 steps/s 2024-05-18 02:34:41,043 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44100 8820 70.705 -28317 7749.4 -36066 -36066 1.3995 -1.132 -0.23434 83359 2024-05-18 02:35:16,716 INFO [main.py:798]
{rank 0/64} MD step = 44200 step time: 00:00:00.325658 Performance: 26.757 ns/day 0.897 hours/ns 1.548 steps/s 2024-05-18 02:35:27,347 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44200 8840 69.876 -28280 7658.5 -35939 -35939 1.4037 -1.1345 -0.23466 83581 2024-05-18 02:36:01,696 INFO [main.py:798]
{rank 0/64} MD step = 44300 step time: 00:00:00.325435 Performance: 26.775 ns/day 0.896 hours/ns 1.550 steps/s 2024-05-18 02:36:19,099 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44300 8860 69.649 -28557 7633.6 -36191 -36191 1.4064 -1.1402 -0.2351 83734 2024-05-18 02:36:53,525 INFO [main.py:798]
{rank 0/64} MD step = 44400 step time: 00:00:00.374918 Performance: 26.787 ns/day 0.896 hours/ns 1.550 steps/s 2024-05-18 02:37:07,390 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44400 8880 70.653 -28211 7743.7 -35954 -35954 1.4091 -1.1446 -0.23481 83962 2024-05-18 02:37:42,547 INFO [main.py:798]
{rank 0/64} MD step = 44500 step time: 00:00:00.336560 Performance: 26.802 ns/day 0.895 hours/ns 1.551 steps/s 2024-05-18 02:37:54,848 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44500 8900 69.417 -28487 7608.2 -36095 -36095 1.4135 -1.1502 -0.23843 84120 2024-05-18 02:38:29,053 INFO [main.py:798]
{rank 0/64} MD step = 44600 step time: 00:00:00.350961 Performance: 26.819 ns/day 0.895 hours/ns 1.552 steps/s 2024-05-18 02:38:40,948 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44600 8920 68.885 -28626 7549.9 -36176 -36176 1.4181 -1.1536 -0.23868 84304 2024-05-18 02:39:15,041 INFO [main.py:798]
{rank 0/64} MD step = 44700 step time: 00:00:00.354769 Performance: 26.836 ns/day 0.894 hours/ns 1.553 steps/s 2024-05-18 02:39:28,556 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44700 8940 69.525 -28595 7620 -36215 -36215 1.423 -1.1569 -0.2385 84502 2024-05-18 02:40:02,556 INFO [main.py:798]
{rank 0/64} MD step = 44800 step time: 00:00:00.349384 Performance: 26.851 ns/day 0.894 hours/ns 1.554 steps/s 2024-05-18 02:40:17,276 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44800 8960 70.282 -28349 7703 -36052 -36052 1.4277 -1.162 -0.23885 84716 2024-05-18 02:40:51,779 INFO [main.py:798]
{rank 0/64} MD step = 44900 step time: 00:00:00.342161 Performance: 26.865 ns/day 0.893 hours/ns 1.555 steps/s 2024-05-18 02:41:10,551 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44900 8980 69.787 -28562 7648.8 -36210 -36210 1.4331 -1.1665 -0.23828 84884 2024-05-18 02:41:45,992 INFO [main.py:798]
{rank 0/64} MD step = 45000 step time: 00:00:00.342191 Performance: 26.875 ns/day 0.893 hours/ns 1.555 steps/s 2024-05-18 02:42:08,718 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45000 9000 70.015 -28532 7673.7 -36205 -36205 1.4372 -1.1714 -0.23856 85048 2024-05-18 02:42:42,357 INFO [main.py:798]
{rank 0/64} MD step = 45100 step time: 00:00:00.351222 Performance: 26.882 ns/day 0.893 hours/ns 1.556 steps/s 2024-05-18 02:43:10,583 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45100 9020 69.229 -28735 7587.6 -36322 -36322 1.441 -1.1748 -0.23918 85229 2024-05-18 02:43:44,991 INFO [main.py:798]
{rank 0/64} MD step = 45200 step time: 00:00:00.355782 Performance: 26.884 ns/day 0.893 hours/ns 1.556 steps/s 2024-05-18 02:44:00,232 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45200 9040 69.913 -28399 7662.5 -36062 -36062 1.443 -1.18 -0.23961 85456 2024-05-18 02:44:35,155 INFO [main.py:798]
{rank 0/64} MD step = 45300 step time: 00:00:00.328128 Performance: 26.897 ns/day 0.892 hours/ns 1.557 steps/s 2024-05-18 02:44:55,462 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45300 9060 69.404 -28573 7606.7 -36180 -36180 1.4438 -1.1858 -0.24175 85615 2024-05-18 02:45:30,876 INFO [main.py:798]
{rank 0/64} MD step = 45400 step time: 00:00:00.326640 Performance: 26.905 ns/day 0.892 hours/ns 1.557 steps/s 2024-05-18 02:45:50,716 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45400 9080 69.952 -28529 7666.9 -36196 -36196 1.4467 -1.1913 -0.24272 85800 2024-05-18 02:46:25,539 INFO [main.py:798]
{rank 0/64} MD step = 45500 step time: 00:00:00.347295 Performance: 26.913 ns/day 0.892 hours/ns 1.557 steps/s 2024-05-18 02:46:44,012 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45500 9100 69.773 -28492 7647.2 -36139 -36139 1.4508 -1.1954 -0.24198 86008 2024-05-18 02:47:21,127 INFO [main.py:798]
{rank 0/64} MD step = 45600 step time: 00:00:00.349806 Performance: 26.921 ns/day 0.891 hours/ns 1.558 steps/s 2024-05-18 02:47:43,314 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45600 9120 70.428 -28470 7719 -36189 -36189 1.4543 -1.1968 -0.24426 86195 2024-05-18 02:48:19,965 INFO [main.py:798]
{rank 0/64} MD step = 45700 step time: 00:00:00.369777 Performance: 26.926 ns/day 0.891 hours/ns 1.558 steps/s 2024-05-18 02:48:30,778 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45700 9140 68.993 -28910 7561.7 -36471 -36471 1.4559 -1.2019 -0.24531 86362 2024-05-18 02:49:06,822 INFO [main.py:798]
{rank 0/64} MD step = 45800 step time: 00:00:00.327096 Performance: 26.942 ns/day 0.891 hours/ns 1.559 steps/s 2024-05-18 02:49:18,315 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45800 9160 69.288 -28679 7594 -36273 -36273 1.4603 -1.2062 -0.24512 86581 2024-05-18 02:49:52,736 INFO [main.py:798]
{rank 0/64} MD step = 45900 step time: 00:00:00.345871 Performance: 26.959 ns/day 0.890 hours/ns 1.560 steps/s 2024-05-18 02:50:10,508 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45900 9180 69.206 -28779 7585.1 -36364 -36364 1.4627 -1.2108 -0.24563 86764 2024-05-18 02:50:44,749 INFO [main.py:798]
{rank 0/64} MD step = 46000 step time: 00:00:00.362182 Performance: 26.970 ns/day 0.890 hours/ns 1.561 steps/s 2024-05-18 02:51:00,777 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46000 9200 71.025 -28566 7784.5 -36350 -36350 1.4666 -1.2152 -0.24589 86958 2024-05-18 02:51:35,413 INFO [main.py:798]
{rank 0/64} MD step = 46100 step time: 00:00:00.347559 Performance: 26.982 ns/day 0.889 hours/ns 1.561 steps/s 2024-05-18 02:51:48,528 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46100 9220 69.955 -28677 7667.1 -36344 -36344 1.47 -1.2202 -0.24778 87179 2024-05-18 02:52:22,818 INFO [main.py:798]
{rank 0/64} MD step = 46200 step time: 00:00:00.349927 Performance: 26.997 ns/day 0.889 hours/ns 1.562 steps/s 2024-05-18 02:52:46,792 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46200 9240 70.471 -28558 7723.7 -36282 -36282 1.4748 -1.2248 -0.24946 87357 2024-05-18 02:53:37,810 INFO [main.py:798]
{rank 0/64} MD step = 46300 step time: 00:00:00.358759 Performance: 26.987 ns/day 0.889 hours/ns 1.562 steps/s 2024-05-18 02:53:55,535 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46300 9260 70.028 -28625 7675.2 -36300 -36300 1.478 -1.2295 -0.25028 87556 2024-05-18 02:54:29,408 INFO [main.py:798]
{rank 0/64} MD step = 46400 step time: 00:00:00.349322 Performance: 26.999 ns/day 0.889 hours/ns 1.562 steps/s 2024-05-18 02:54:53,364 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46400 9280 70.021 -28736 7674.4 -36411 -36411 1.482 -1.232 -0.24956 87776 2024-05-18 02:55:29,293 INFO [main.py:798]
{rank 0/64} MD step = 46500 step time: 00:00:00.373104 Performance: 27.002 ns/day 0.889 hours/ns 1.563 steps/s 2024-05-18 02:55:36,349 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46500 9300 69.99 -28753 7671 -36424 -36424 1.4853 -1.2368 -0.25064 87960 2024-05-18 02:56:13,296 INFO [main.py:798]
{rank 0/64} MD step = 46600 step time: 00:00:00.349517 Performance: 27.020 ns/day 0.888 hours/ns 1.564 steps/s 2024-05-18 02:57:10,160 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46600 9320 70.419 -28736 7718 -36454 -36454 1.4877 -1.2409 -0.25175 88166 2024-05-18 02:57:44,487 INFO [main.py:798]
{rank 0/64} MD step = 46700 step time: 00:00:00.326249 Performance: 26.996 ns/day 0.889 hours/ns 1.562 steps/s 2024-05-18 02:57:53,986 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46700 9340 70.218 -28634 7696 -36330 -36330 1.4898 -1.2448 -0.25386 88373 2024-05-18 02:58:28,004 INFO [main.py:798]
{rank 0/64} MD step = 46800 step time: 00:00:00.327167 Performance: 27.014 ns/day 0.888 hours/ns 1.563 steps/s 2024-05-18 02:58:38,292 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46800 9360 70.288 -28462 7703.6 -36166 -36166 1.4924 -1.2498 -0.25492 88587 2024-05-18 02:59:13,070 INFO [main.py:798]
{rank 0/64} MD step = 46900 step time: 00:00:00.327635 Performance: 27.031 ns/day 0.888 hours/ns 1.564 steps/s 2024-05-18 02:59:23,773 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46900 9380 69.749 -28564 7644.6 -36208 -36208 1.4954 -1.2529 -0.25552 88754 2024-05-18 02:59:57,695 INFO [main.py:798]
{rank 0/64} MD step = 47000 step time: 00:00:00.356907 Performance: 27.049 ns/day 0.887 hours/ns 1.565 steps/s 2024-05-18 03:00:18,890 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47000 9400 70.445 -28555 7720.8 -36276 -36276 1.4969 -1.2568 -0.2562 88941 2024-05-18 03:00:52,636 INFO [main.py:798]
{rank 0/64} MD step = 47100 step time: 00:00:00.351667 Performance: 27.057 ns/day 0.887 hours/ns 1.566 steps/s 2024-05-18 03:01:10,617 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47100 9420 70.398 -28433 7715.7 -36149 -36149 1.5 -1.2611 -0.2562 89134 2024-05-18 03:01:44,455 INFO [main.py:798]
{rank 0/64} MD step = 47200 step time: 00:00:00.348411 Performance: 27.068 ns/day 0.887 hours/ns 1.566 steps/s 2024-05-18 03:01:56,567 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47200 9440 70.119 -28583 7685.1 -36268 -36268 1.5044 -1.2653 -0.25597 89304 2024-05-18 03:02:30,733 INFO [main.py:798]
{rank 0/64} MD step = 47300 step time: 00:00:00.352422 Performance: 27.083 ns/day 0.886 hours/ns 1.567 steps/s 2024-05-18 03:02:38,374 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47300 9460 70.183 -28530 7692.2 -36222 -36222 1.5072 -1.2693 -0.25684 89521 2024-05-18 03:03:12,815 INFO [main.py:798]
{rank 0/64} MD step = 47400 step time: 00:00:00.339056 Performance: 27.103 ns/day 0.886 hours/ns 1.568 steps/s 2024-05-18 03:03:20,926 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47400 9480 70.624 -28353 7740.5 -36093 -36093 1.5095 -1.2739 -0.2571 89715 2024-05-18 03:03:55,643 INFO [main.py:798]
{rank 0/64} MD step = 47500 step time: 00:00:00.350940 Performance: 27.122 ns/day 0.885 hours/ns 1.570 steps/s 2024-05-18 03:04:09,992 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47500 9500 71.029 -28347 7784.8 -36132 -36132 1.5125 -1.2789 -0.25723 89919 2024-05-18 03:04:44,510 INFO [main.py:798]
{rank 0/64} MD step = 47600 step time: 00:00:00.359224 Performance: 27.135 ns/day 0.884 hours/ns 1.570 steps/s 2024-05-18 03:04:55,219 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47600 9520 70.103 -28533 7683.4 -36216 -36216 1.5165 -1.2835 -0.2587 90073 2024-05-18 03:05:29,520 INFO [main.py:798]
{rank 0/64} MD step = 47700 step time: 00:00:00.340113 Performance: 27.152 ns/day 0.884 hours/ns 1.571 steps/s 2024-05-18 03:05:34,923 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47700 9540 70.416 -28379 7717.7 -36097 -36097 1.5207 -1.2879 -0.26043 90306 2024-05-18 03:06:09,489 INFO [main.py:798]
{rank 0/64} MD step = 47800 step time: 00:00:00.352006 Performance: 27.173 ns/day 0.883 hours/ns 1.572 steps/s 2024-05-18 03:06:15,022 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47800 9560 70.466 -28383 7723.1 -36106 -36106 1.5237 -1.2927 -0.2622 90471 2024-05-18 03:06:49,024 INFO [main.py:798]
{rank 0/64} MD step = 47900 step time: 00:00:00.338303 Performance: 27.194 ns/day 0.883 hours/ns 1.574 steps/s 2024-05-18 03:06:53,284 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47900 9580 70.748 -28423 7754.1 -36177 -36177 1.527 -1.2963 -0.26089 90644 2024-05-18 03:07:29,036 INFO [main.py:798]
{rank 0/64} MD step = 48000 step time: 00:00:00.344544 Performance: 27.215 ns/day 0.882 hours/ns 1.575 steps/s 2024-05-18 03:07:34,347 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48000 9600 69.42 -28510 7608.5 -36118 -36118 1.5289 -1.3007 -0.26186 90860 2024-05-18 03:08:09,015 INFO [main.py:798]
{rank 0/64} MD step = 48100 step time: 00:00:00.354986 Performance: 27.236 ns/day 0.881 hours/ns 1.576 steps/s 2024-05-18 03:08:16,441 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48100 9620 69.723 -28498 7641.7 -36140 -36140 1.5323 -1.305 -0.26341 91038 2024-05-18 03:08:50,777 INFO [main.py:798]
{rank 0/64} MD step = 48200 step time: 00:00:00.350822 Performance: 27.255 ns/day 0.881 hours/ns 1.577 steps/s 2024-05-18 03:08:56,231 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48200 9640 70.972 -28253 7778.6 -36031 -36031 1.5368 -1.3107 -0.26466 91250 2024-05-18 03:09:29,991 INFO [main.py:798]
{rank 0/64} MD step = 48300 step time: 00:00:00.340311 Performance: 27.277 ns/day 0.880 hours/ns 1.579 steps/s 2024-05-18 03:09:34,737 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48300 9660 70.186 -28333 7692.4 -36026 -36026 1.5381 -1.3158 -0.26622 91457 2024-05-18 03:10:10,659 INFO [main.py:798]
{rank 0/64} MD step = 48400 step time: 00:00:00.357637 Performance: 27.297 ns/day 0.879 hours/ns 1.580 steps/s 2024-05-18 03:10:17,075 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48400 9680 69.263 -28378 7591.3 -35970 -35970 1.54 -1.32 -0.2679 91611 2024-05-18 03:10:50,634 INFO [main.py:798]
{rank 0/64} MD step = 48500 step time: 00:00:00.326215 Performance: 27.318 ns/day 0.879 hours/ns 1.581 steps/s 2024-05-18 03:11:07,821 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48500 9700 69.551 -28368 7622.9 -35991 -35991 1.5429 -1.3259 -0.26751 91797 2024-05-18 03:11:42,502 INFO [main.py:798]
{rank 0/64} MD step = 48600 step time: 00:00:00.347962 Performance: 27.328 ns/day 0.878 hours/ns 1.581 steps/s 2024-05-18 03:11:54,976 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48600 9720 69.987 -28412 7670.6 -36083 -36083 1.5446 -1.3318 -0.26663 91985 2024-05-18 03:12:28,675 INFO [main.py:798]
{rank 0/64} MD step = 48700 step time: 00:00:00.344981 Performance: 27.343 ns/day 0.878 hours/ns 1.582 steps/s 2024-05-18 03:12:43,289 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48700 9740 69.568 -28397 7624.7 -36022 -36022 1.5468 -1.3352 -0.26771 92172 2024-05-18 03:13:16,812 INFO [main.py:798]
{rank 0/64} MD step = 48800 step time: 00:00:00.327096 Performance: 27.357 ns/day 0.877 hours/ns 1.583 steps/s 2024-05-18 03:13:31,907 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48800 9760 70.022 -28255 7674.4 -35930 -35930 1.549 -1.3389 -0.26895 92367 2024-05-18 03:14:06,493 INFO [main.py:798]
{rank 0/64} MD step = 48900 step time: 00:00:00.325889 Performance: 27.369 ns/day 0.877 hours/ns 1.584 steps/s 2024-05-18 03:14:13,183 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48900 9780 70.334 -28364 7708.7 -36072 -36072 1.5504 -1.3422 -0.26973 92574 2024-05-18 03:14:48,671 INFO [main.py:798]
{rank 0/64} MD step = 49000 step time: 00:00:00.330896 Performance: 27.387 ns/day 0.876 hours/ns 1.585 steps/s 2024-05-18 03:14:55,370 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49000 9800 70.22 -28275 7696.2 -35972 -35972 1.5544 -1.3464 -0.27044 92815 2024-05-18 03:15:33,131 INFO [main.py:798]
{rank 0/64} MD step = 49100 step time: 00:00:00.327673 Performance: 27.404 ns/day 0.876 hours/ns 1.586 steps/s 2024-05-18 03:15:40,975 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49100 9820 69.552 -28260 7623 -35883 -35883 1.5576 -1.3513 -0.27051 92980 2024-05-18 03:16:15,793 INFO [main.py:798]
{rank 0/64} MD step = 49200 step time: 00:00:00.344626 Performance: 27.422 ns/day 0.875 hours/ns 1.587 steps/s 2024-05-18 03:16:23,540 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49200 9840 68.811 -28511 7541.8 -36053 -36053 1.5612 -1.3561 -0.27125 93165 2024-05-18 03:16:57,308 INFO [main.py:798]
{rank 0/64} MD step = 49300 step time: 00:00:00.354121 Performance: 27.441 ns/day 0.875 hours/ns 1.588 steps/s 2024-05-18 03:17:04,075 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49300 9860 69.265 -28395 7591.6 -35986 -35986 1.5624 -1.3626 -0.2723 93354 2024-05-18 03:17:39,343 INFO [main.py:798]
{rank 0/64} MD step = 49400 step time: 00:00:00.347844 Performance: 27.459 ns/day 0.874 hours/ns 1.589 steps/s 2024-05-18 03:17:47,222 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49400 9880 69.42 -28346 7608.5 -35954 -35954 1.5653 -1.3675 -0.27312 93542 2024-05-18 03:18:21,818 INFO [main.py:798]
{rank 0/64} MD step = 49500 step time: 00:00:00.358162 Performance: 27.477 ns/day 0.873 hours/ns 1.590 steps/s 2024-05-18 03:18:28,601 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49500 9900 70.326 -28300 7707.8 -36008 -36008 1.5688 -1.371 -0.27468 93718 2024-05-18 03:19:03,400 INFO [main.py:798]
{rank 0/64} MD step = 49600 step time: 00:00:00.355234 Performance: 27.496 ns/day 0.873 hours/ns 1.591 steps/s 2024-05-18 03:19:10,869 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49600 9920 70.51 -28164 7728 -35892 -35892 1.5719 -1.3744 -0.27618 93921 2024-05-18 03:19:45,747 INFO [main.py:798]
{rank 0/64} MD step = 49700 step time: 00:00:00.356428 Performance: 27.514 ns/day 0.872 hours/ns 1.592 steps/s 2024-05-18 03:20:06,125 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49700 9940 69.307 -28336 7596.1 -35932 -35932 1.5741 -1.3798 -0.27576 94100 2024-05-18 03:20:43,141 INFO [main.py:798]
{rank 0/64} MD step = 49800 step time: 00:00:00.330360 Performance: 27.519 ns/day 0.872 hours/ns 1.593 steps/s 2024-05-18 03:20:49,529 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49800 9960 69.739 -28331 7643.5 -35975 -35975 1.577 -1.3844 -0.27552 94292 2024-05-18 03:21:25,266 INFO [main.py:798]
{rank 0/64} MD step = 49900 step time: 00:00:00.331488 Performance: 27.537 ns/day 0.872 hours/ns 1.594 steps/s 2024-05-18 03:21:41,029 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49900 9980 69.643 -28466 7632.9 -36099 -36099 1.5799 -1.3889 -0.27651 94488 2024-05-18 03:22:16,003 INFO [main.py:798]
{rank 0/64} MD step = 50000 step time: 00:00:00.337399 Performance: 27.547 ns/day 0.871 hours/ns 1.594 steps/s 2024-05-18 03:22:29,720 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 50000 10000 69.8 -28184 7650.2 -35834 -35834 1.5843 -1.3946 -0.27673 94731 2024-05-18 03:23:02,938 INFO [main.py:798]
{rank 0/64} MD step = 50100 step time: 00:00:00.343149 Performance: 27.561 ns/day 0.871 hours/ns 1.595 steps/s 2024-05-18 03:23:18,214 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 50100 10020 70.57 -28211 7734.6 -35946 -35946 1.5879 -1.4018 -0.27539 94890 2024-05-18 03:23:56,331 INFO [main.py:798]
{rank 0/64} MD step = 50200 step time: 00:00:00.357578 Performance: 27.569 ns/day 0.871 hours/ns 1.595 steps/s 2024-05-18 03:24:18,708 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 50200 10040 70.133 -28249 7686.6 -35935 -35935 1.5923 -1.406 -0.27529 95110 2024-05-18 03:24:51,625 INFO [main.py:798]
{rank 0/64} MD step = 50300 step time: 00:00:00.352359 Performance: 27.576 ns/day 0.870 hours/ns 1.596 steps/s 2024-05-18 03:25:00,271 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 50300 10060 69.711 -28269 7640.4 -35910 -35910 1.5971 -1.41 -0.27529 95261 2024-05-18 03:25:38,962 INFO [main.py:798]
{rank 0/64} MD step = 50400 step time: 00:00:00.372623 Performance: 27.589 ns/day 0.870 hours/ns 1.597 steps/s 2024-05-18 03:25:53,872 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 50400 10080 68.148 -28523 7469.2 -35992 -35992 1.6015 -1.4129 -0.27544 95466 2024-05-18 03:26:28,565 INFO [main.py:798]
{rank 0/64} MD step = 50500 step time: 00:00:00.326640 Performance: 27.601 ns/day 0.870 hours/ns 1.597 steps/s 2024-05-18 03:26:55,338 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 50500 10100 69.095 -28424 7572.9 -35996 -35996 1.6047 -1.4164 -0.27449 95640 2024-05-18 03:27:31,239 INFO [main.py:798]
{rank 0/64} MD step = 50600 step time: 00:00:00.328659 Performance: 27.601 ns/day 0.870 hours/ns 1.597 steps/s 2024-05-18 03:27:46,330 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 50600 10120 69.07 -28465 7570.2 -36035 -36035 1.6084 -1.4214 -0.27548 95821 2024-05-18 03:28:20,422 INFO [main.py:798]
{rank 0/64} MD step = 50700 step time: 00:00:00.347532 Performance: 27.612 ns/day 0.869 hours/ns 1.598 steps/s 2024-05-18 03:28:35,495 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 50700 10140 70.776 -28222 7757.2 -35979 -35979 1.613 -1.425 -0.27565 96047 2024-05-18 03:29:08,897 INFO [main.py:798]
{rank 0/64} MD step = 50800 step time: 00:00:00.325626 Performance: 27.625 ns/day 0.869 hours/ns 1.599 steps/s 2024-05-18 03:29:25,087 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 50800 10160 70.308 -28310 7705.8 -36016 -36016 1.6161 -1.4294 -0.27356 96226 2024-05-18 03:29:59,777 INFO [main.py:798]
{rank 0/64} MD step = 50900 step time: 00:00:00.326630 Performance: 27.635 ns/day 0.868 hours/ns 1.599 steps/s 2024-05-18 03:30:10,141 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 50900 10180 70.235 -28270 7697.9 -35968 -35968 1.6171 -1.4351 -0.27277 96433 2024-05-18 03:30:47,212 INFO [main.py:798]
{rank 0/64} MD step = 51000 step time: 00:00:00.343347 Performance: 27.648 ns/day 0.868 hours/ns 1.600 steps/s 2024-05-18 03:30:53,943 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51000 10200 70.399 -28362 7715.8 -36078 -36078 1.6202 -1.4379 -0.27406 96577 2024-05-18 03:31:28,333 INFO [main.py:798]
{rank 0/64} MD step = 51100 step time: 00:00:00.345773 Performance: 27.666 ns/day 0.867 hours/ns 1.601 steps/s 2024-05-18 03:31:34,459 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51100 10220 71.14 -28194 7797.1 -35991 -35991 1.6241 -1.4416 -0.27407 96789 2024-05-18 03:32:08,803 INFO [main.py:798]
{rank 0/64} MD step = 51200 step time: 00:00:00.326404 Performance: 27.685 ns/day 0.867 hours/ns 1.602 steps/s 2024-05-18 03:32:14,885 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51200 10240 69.701 -28409 7639.3 -36049 -36049 1.6279 -1.4457 -0.27552 96981 2024-05-18 03:32:49,949 INFO [main.py:798]
{rank 0/64} MD step = 51300 step time: 00:00:00.330347 Performance: 27.704 ns/day 0.866 hours/ns 1.603 steps/s 2024-05-18 03:32:57,644 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51300 10260 70.286 -28265 7703.4 -35968 -35968 1.6311 -1.4493 -0.27693 97182 2024-05-18 03:33:31,945 INFO [main.py:798]
{rank 0/64} MD step = 51400 step time: 00:00:00.343734 Performance: 27.721 ns/day 0.866 hours/ns 1.604 steps/s 2024-05-18 03:33:40,807 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51400 10280 70.141 -28447 7687.6 -36135 -36135 1.6359 -1.4547 -0.27761 97362 2024-05-18 03:34:16,481 INFO [main.py:798]
{rank 0/64} MD step = 51500 step time: 00:00:00.333107 Performance: 27.737 ns/day 0.865 hours/ns 1.605 steps/s 2024-05-18 03:34:23,539 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51500 10300 69.938 -28314 7665.3 -35980 -35980 1.6373 -1.4576 -0.27744 97573 2024-05-18 03:34:57,458 INFO [main.py:798]
{rank 0/64} MD step = 51600 step time: 00:00:00.325934 Performance: 27.755 ns/day 0.865 hours/ns 1.606 steps/s 2024-05-18 03:35:05,470 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51600 10320 70.655 -28223 7743.9 -35967 -35967 1.6403 -1.4623 -0.27779 97771 2024-05-18 03:35:39,915 INFO [main.py:798]
{rank 0/64} MD step = 51700 step time: 00:00:00.327353 Performance: 27.772 ns/day 0.864 hours/ns 1.607 steps/s 2024-05-18 03:35:47,543 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51700 10340 70.657 -28258 7744.1 -36002 -36002 1.6433 -1.4664 -0.27914 97958 2024-05-18 03:36:22,161 INFO [main.py:798]
{rank 0/64} MD step = 51800 step time: 00:00:00.331770 Performance: 27.789 ns/day 0.864 hours/ns 1.608 steps/s 2024-05-18 03:36:36,348 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51800 10360 69.519 -28499 7619.3 -36119 -36119 1.6458 -1.4711 -0.28063 98132 2024-05-18 03:37:11,020 INFO [main.py:798]
{rank 0/64} MD step = 51900 step time: 00:00:00.346126 Performance: 27.801 ns/day 0.863 hours/ns 1.609 steps/s 2024-05-18 03:37:27,603 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51900 10380 70.633 -28351 7741.5 -36092 -36092 1.649 -1.475 -0.28075 98338 2024-05-18 03:38:01,938 INFO [main.py:798]
{rank 0/64} MD step = 52000 step time: 00:00:00.359114 Performance: 27.811 ns/day 0.863 hours/ns 1.609 steps/s 2024-05-18 03:38:10,423 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52000 10400 70.206 -28494 7694.7 -36189 -36189 1.6523 -1.4789 -0.28197 98508 2024-05-18 03:38:44,884 INFO [main.py:798]
{rank 0/64} MD step = 52100 step time: 00:00:00.346202 Performance: 27.827 ns/day 0.862 hours/ns 1.610 steps/s 2024-05-18 03:38:50,832 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52100 10420 70.827 -28393 7762.7 -36156 -36156 1.6586 -1.4823 -0.28224 98719 2024-05-18 03:39:26,882 INFO [main.py:798]
{rank 0/64} MD step = 52200 step time: 00:00:00.348575 Performance: 27.844 ns/day 0.862 hours/ns 1.611 steps/s 2024-05-18 03:39:33,756 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52200 10440 70.144 -28413 7687.9 -36100 -36100 1.6616 -1.486 -0.2831 98896 2024-05-18 03:40:07,776 INFO [main.py:798]
{rank 0/64} MD step = 52300 step time: 00:00:00.375147 Performance: 27.862 ns/day 0.861 hours/ns 1.612 steps/s 2024-05-18 03:40:16,074 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52300 10460 69.089 -28593 7572.2 -36166 -36166 1.6656 -1.4901 -0.28442 99078 2024-05-18 03:40:50,413 INFO [main.py:798]
{rank 0/64} MD step = 52400 step time: 00:00:00.355038 Performance: 27.879 ns/day 0.861 hours/ns 1.613 steps/s 2024-05-18 03:41:02,682 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52400 10480 69.917 -28438 7663 -36101 -36101 1.6684 -1.4938 -0.28439 99269 2024-05-18 03:41:36,855 INFO [main.py:798]
{rank 0/64} MD step = 52500 step time: 00:00:00.350962 Performance: 27.892 ns/day 0.860 hours/ns 1.614 steps/s 2024-05-18 03:41:43,587 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52500 10500 70.374 -28513 7713 -36226 -36226 1.6702 -1.4978 -0.28242 99432 2024-05-18 03:42:18,398 INFO [main.py:798]
{rank 0/64} MD step = 52600 step time: 00:00:00.351448 Performance: 27.910 ns/day 0.860 hours/ns 1.615 steps/s 2024-05-18 03:42:33,859 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52600 10520 70.2 -28300 7694 -35994 -35994 1.6739 -1.5007 -0.28162 99658 2024-05-18 03:43:09,076 INFO [main.py:798]
{rank 0/64} MD step = 52700 step time: 00:00:00.359311 Performance: 27.920 ns/day 0.860 hours/ns 1.616 steps/s 2024-05-18 03:43:15,917 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52700 10540 70.441 -28285 7720.4 -36005 -36005 1.6763 -1.5045 -0.27961 99849 2024-05-18 03:43:51,017 INFO [main.py:798]
{rank 0/64} MD step = 52800 step time: 00:00:00.347747 Performance: 27.937 ns/day 0.859 hours/ns 1.617 steps/s 2024-05-18 03:43:59,323 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52800 10560 69.247 -28621 7589.6 -36211 -36211 1.6808 -1.5081 -0.28038 1.0001e+05 2024-05-18 03:44:35,089 INFO [main.py:798]
{rank 0/64} MD step = 52900 step time: 00:00:00.334290 Performance: 27.952 ns/day 0.859 hours/ns 1.618 steps/s 2024-05-18 03:44:39,656 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52900 10580 69.794 -28391 7649.5 -36040 -36040 1.6852 -1.5115 -0.28045 1.0021e+05 2024-05-18 03:45:15,898 INFO [main.py:798]
{rank 0/64} MD step = 53000 step time: 00:00:00.349667 Performance: 27.970 ns/day 0.858 hours/ns 1.619 steps/s 2024-05-18 03:45:35,615 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53000 10600 70.202 -28349 7694.2 -36043 -36043 1.6914 -1.5164 -0.28177 1.0043e+05 2024-05-18 03:46:09,782 INFO [main.py:798]
{rank 0/64} MD step = 53100 step time: 00:00:00.338720 Performance: 27.976 ns/day 0.858 hours/ns 1.619 steps/s 2024-05-18 03:46:16,932 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53100 10620 70.372 -28371 7712.9 -36084 -36084 1.6975 -1.5218 -0.28404 1.0056e+05 2024-05-18 03:46:50,692 INFO [main.py:798]
{rank 0/64} MD step = 53200 step time: 00:00:00.332873 Performance: 27.994 ns/day 0.857 hours/ns 1.620 steps/s 2024-05-18 03:46:56,294 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53200 10640 70.851 -28491 7765.4 -36257 -36257 1.7012 -1.5249 -0.28493 1.0075e+05 2024-05-18 03:47:31,050 INFO [main.py:798]
{rank 0/64} MD step = 53300 step time: 00:00:00.343753 Performance: 28.012 ns/day 0.857 hours/ns 1.621 steps/s 2024-05-18 03:47:37,164 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53300 10660 70.784 -28536 7758 -36294 -36294 1.7047 -1.5307 -0.2853 1.0091e+05 2024-05-18 03:48:11,439 INFO [main.py:798]
{rank 0/64} MD step = 53400 step time: 00:00:00.353347 Performance: 28.031 ns/day 0.856 hours/ns 1.622 steps/s 2024-05-18 03:48:17,442 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53400 10680 70.701 -28464 7748.9 -36213 -36213 1.7098 -1.5341 -0.28495 1.0113e+05 2024-05-18 03:48:51,835 INFO [main.py:798]
{rank 0/64} MD step = 53500 step time: 00:00:00.354374 Performance: 28.049 ns/day 0.856 hours/ns 1.623 steps/s 2024-05-18 03:48:59,771 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53500 10700 70.393 -28494 7715.2 -36209 -36209 1.7124 -1.5379 -0.28699 1.0131e+05 2024-05-18 03:49:34,954 INFO [main.py:798]
{rank 0/64} MD step = 53600 step time: 00:00:00.349837 Performance: 28.064 ns/day 0.855 hours/ns 1.624 steps/s 2024-05-18 03:49:46,057 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53600 10720 70.759 -28519 7755.3 -36275 -36275 1.7153 -1.5407 -0.28676 1.0148e+05 2024-05-18 03:50:19,984 INFO [main.py:798]
{rank 0/64} MD step = 53700 step time: 00:00:00.338265 Performance: 28.078 ns/day 0.855 hours/ns 1.625 steps/s 2024-05-18 03:50:30,605 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53700 10740 68.371 -28676 7493.5 -36169 -36169 1.7202 -1.5449 -0.28639 1.0169e+05 2024-05-18 03:51:05,101 INFO [main.py:798]
{rank 0/64} MD step = 53800 step time: 00:00:00.360794 Performance: 28.092 ns/day 0.854 hours/ns 1.626 steps/s 2024-05-18 03:51:13,420 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53800 10760 71.209 -28339 7804.6 -36144 -36144 1.7239 -1.5506 -0.28504 1.019e+05 2024-05-18 03:51:50,219 INFO [main.py:798]
{rank 0/64} MD step = 53900 step time: 00:00:00.375642 Performance: 28.106 ns/day 0.854 hours/ns 1.627 steps/s 2024-05-18 03:52:02,405 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53900 10780 70.533 -28392 7730.5 -36123 -36123 1.7264 -1.5544 -0.28506 1.0211e+05 2024-05-18 03:52:37,145 INFO [main.py:798]
{rank 0/64} MD step = 54000 step time: 00:00:00.351239 Performance: 28.119 ns/day 0.854 hours/ns 1.627 steps/s 2024-05-18 03:52:52,165 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54000 10800 68.802 -28737 7540.8 -36278 -36278 1.7305 -1.5602 -0.28649 1.023e+05 2024-05-18 03:53:27,009 INFO [main.py:798]
{rank 0/64} MD step = 54100 step time: 00:00:00.329012 Performance: 28.128 ns/day 0.853 hours/ns 1.628 steps/s 2024-05-18 03:53:38,757 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54100 10820 70.552 -28435 7732.6 -36168 -36168 1.7326 -1.5654 -0.28562 1.0246e+05 2024-05-18 03:54:14,289 INFO [main.py:798]
{rank 0/64} MD step = 54200 step time: 00:00:00.330473 Performance: 28.140 ns/day 0.853 hours/ns 1.628 steps/s 2024-05-18 03:54:26,784 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54200 10840 69.199 -28630 7584.3 -36214 -36214 1.7363 -1.5704 -0.28612 1.0267e+05 2024-05-18 03:55:02,450 INFO [main.py:798]
{rank 0/64} MD step = 54300 step time: 00:00:00.329391 Performance: 28.151 ns/day 0.853 hours/ns 1.629 steps/s 2024-05-18 03:55:19,367 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54300 10860 71.015 -28421 7783.4 -36204 -36204 1.7396 -1.5735 -0.28518 1.0284e+05 2024-05-18 03:55:53,065 INFO [main.py:798]
{rank 0/64} MD step = 54400 step time: 00:00:00.329453 Performance: 28.161 ns/day 0.852 hours/ns 1.630 steps/s 2024-05-18 03:56:13,471 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54400 10880 69.601 -28450 7628.4 -36078 -36078 1.7424 -1.5793 -0.28396 1.0304e+05 2024-05-18 03:56:46,213 INFO [main.py:798]
{rank 0/64} MD step = 54500 step time: 00:00:00.338148 Performance: 28.167 ns/day 0.852 hours/ns 1.630 steps/s 2024-05-18 03:56:59,810 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54500 10900 70.13 -28388 7686.4 -36074 -36074 1.7466 -1.5827 -0.28423 1.0322e+05 2024-05-18 03:57:35,287 INFO [main.py:798]
{rank 0/64} MD step = 54600 step time: 00:00:00.350394 Performance: 28.178 ns/day 0.852 hours/ns 1.631 steps/s 2024-05-18 03:57:48,583 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54600 10920 70.142 -28343 7687.6 -36030 -36030 1.7512 -1.5859 -0.28323 1.034e+05 2024-05-18 03:58:22,837 INFO [main.py:798]
{rank 0/64} MD step = 54700 step time: 00:00:00.335920 Performance: 28.189 ns/day 0.851 hours/ns 1.631 steps/s 2024-05-18 03:58:33,516 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54700 10940 69.454 -28494 7612.2 -36107 -36107 1.7555 -1.5903 -0.28396 1.0359e+05 2024-05-18 03:59:07,393 INFO [main.py:798]
{rank 0/64} MD step = 54800 step time: 00:00:00.340275 Performance: 28.203 ns/day 0.851 hours/ns 1.632 steps/s 2024-05-18 03:59:19,723 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54800 10960 69.755 -28370 7645.3 -36015 -36015 1.7576 -1.5931 -0.28396 1.0379e+05 2024-05-18 03:59:54,447 INFO [main.py:798]
{rank 0/64} MD step = 54900 step time: 00:00:00.370435 Performance: 28.215 ns/day 0.851 hours/ns 1.633 steps/s 2024-05-18 04:00:15,317 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54900 10980 70.776 -28400 7757.2 -36157 -36157 1.7611 -1.5975 -0.28388 1.0396e+05 2024-05-18 04:00:49,359 INFO [main.py:798]
{rank 0/64} MD step = 55000 step time: 00:00:00.327081 Performance: 28.221 ns/day 0.850 hours/ns 1.633 steps/s 2024-05-18 04:01:02,724 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55000 11000 69.793 -28581 7649.4 -36230 -36230 1.7674 -1.6026 -0.28391 1.0417e+05 2024-05-18 04:01:36,783 INFO [main.py:798]
{rank 0/64} MD step = 55100 step time: 00:00:00.326763 Performance: 28.232 ns/day 0.850 hours/ns 1.634 steps/s 2024-05-18 04:01:55,253 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55100 11020 68.596 -28592 7518.2 -36111 -36111 1.7708 -1.6063 -0.28399 1.0437e+05 2024-05-18 04:02:29,486 INFO [main.py:798]
{rank 0/64} MD step = 55200 step time: 00:00:00.352320 Performance: 28.239 ns/day 0.850 hours/ns 1.634 steps/s 2024-05-18 04:02:42,751 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55200 11040 71.099 -28291 7792.6 -36083 -36083 1.7757 -1.6101 -0.28508 1.0459e+05 2024-05-18 04:03:16,678 INFO [main.py:798]
{rank 0/64} MD step = 55300 step time: 00:00:00.350324 Performance: 28.251 ns/day 0.850 hours/ns 1.635 steps/s 2024-05-18 04:03:31,380 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55300 11060 69.928 -28403 7664.1 -36067 -36067 1.7805 -1.6144 -0.28566 1.0473e+05 2024-05-18 04:04:06,228 INFO [main.py:798]
{rank 0/64} MD step = 55400 step time: 00:00:00.350060 Performance: 28.261 ns/day 0.849 hours/ns 1.635 steps/s 2024-05-18 04:04:24,366 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55400 11080 70.531 -28445 7730.3 -36175 -36175 1.7838 -1.6201 -0.28678 1.0494e+05 2024-05-18 04:05:02,509 INFO [main.py:798]
{rank 0/64} MD step = 55500 step time: 00:00:00.350772 Performance: 28.265 ns/day 0.849 hours/ns 1.636 steps/s 2024-05-18 04:05:15,306 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55500 11100 70.182 -28588 7692 -36280 -36280 1.7869 -1.6249 -0.28583 1.0509e+05 2024-05-18 04:05:49,292 INFO [main.py:798]
{rank 0/64} MD step = 55600 step time: 00:00:00.362312 Performance: 28.277 ns/day 0.849 hours/ns 1.636 steps/s 2024-05-18 04:05:56,162 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55600 11120 69.581 -28453 7626.2 -36079 -36079 1.7913 -1.6295 -0.28763 1.053e+05 2024-05-18 04:06:31,054 INFO [main.py:798]
{rank 0/64} MD step = 55700 step time: 00:00:00.368543 Performance: 28.293 ns/day 0.848 hours/ns 1.637 steps/s 2024-05-18 04:06:43,308 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55700 11140 69.543 -28568 7622 -36190 -36190 1.7966 -1.6344 -0.28893 1.0548e+05 2024-05-18 04:07:17,526 INFO [main.py:798]
{rank 0/64} MD step = 55800 step time: 00:00:00.352982 Performance: 28.305 ns/day 0.848 hours/ns 1.638 steps/s 2024-05-18 04:07:29,182 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55800 11160 70.212 -28574 7695.3 -36270 -36270 1.7986 -1.6394 -0.29023 1.0569e+05 2024-05-18 04:08:03,666 INFO [main.py:798]
{rank 0/64} MD step = 55900 step time: 00:00:00.354649 Performance: 28.317 ns/day 0.848 hours/ns 1.639 steps/s 2024-05-18 04:08:12,547 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55900 11180 69.148 -28559 7578.7 -36137 -36137 1.8018 -1.6448 -0.29158 1.0589e+05 2024-05-18 04:08:46,657 INFO [main.py:798]
{rank 0/64} MD step = 56000 step time: 00:00:00.338072 Performance: 28.332 ns/day 0.847 hours/ns 1.640 steps/s 2024-05-18 04:08:57,269 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56000 11200 69.769 -28668 7646.8 -36315 -36315 1.8044 -1.6489 -0.29175 1.0603e+05 2024-05-18 04:09:32,892 INFO [main.py:798]
{rank 0/64} MD step = 56100 step time: 00:00:00.330535 Performance: 28.344 ns/day 0.847 hours/ns 1.640 steps/s 2024-05-18 04:09:47,764 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56100 11220 70.047 -28504 7677.2 -36181 -36181 1.8062 -1.6531 -0.29293 1.0626e+05 2024-05-18 04:10:22,590 INFO [main.py:798]
{rank 0/64} MD step = 56200 step time: 00:00:00.346837 Performance: 28.354 ns/day 0.846 hours/ns 1.641 steps/s 2024-05-18 04:10:32,022 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56200 11240 69.852 -28587 7655.8 -36243 -36243 1.8091 -1.6564 -0.2927 1.0641e+05 2024-05-18 04:11:06,268 INFO [main.py:798]
{rank 0/64} MD step = 56300 step time: 00:00:00.340351 Performance: 28.368 ns/day 0.846 hours/ns 1.642 steps/s 2024-05-18 04:11:17,913 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56300 11260 69.488 -28605 7615.9 -36221 -36221 1.8126 -1.6604 -0.29491 1.0664e+05 2024-05-18 04:11:52,349 INFO [main.py:798]
{rank 0/64} MD step = 56400 step time: 00:00:00.358613 Performance: 28.380 ns/day 0.846 hours/ns 1.642 steps/s 2024-05-18 04:12:17,297 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56400 11280 69.737 -28504 7643.3 -36147 -36147 1.8182 -1.6645 -0.29372 1.0683e+05 2024-05-18 04:12:51,480 INFO [main.py:798]
{rank 0/64} MD step = 56500 step time: 00:00:00.341286 Performance: 28.382 ns/day 0.846 hours/ns 1.642 steps/s 2024-05-18 04:13:01,943 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56500 11300 69.249 -28526 7589.8 -36116 -36116 1.8235 -1.6701 -0.29316 1.0704e+05 2024-05-18 04:13:37,227 INFO [main.py:798]
{rank 0/64} MD step = 56600 step time: 00:00:00.345581 Performance: 28.394 ns/day 0.845 hours/ns 1.643 steps/s 2024-05-18 04:13:52,152 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56600 11320 69.317 -28564 7597.3 -36161 -36161 1.8278 -1.6737 -0.29332 1.0723e+05 2024-05-18 04:14:28,168 INFO [main.py:798]
{rank 0/64} MD step = 56700 step time: 00:00:00.351621 Performance: 28.402 ns/day 0.845 hours/ns 1.644 steps/s 2024-05-18 04:14:41,926 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56700 11340 70.043 -28438 7676.8 -36115 -36115 1.8327 -1.6793 -0.29392 1.0743e+05 2024-05-18 04:15:18,670 INFO [main.py:798]
{rank 0/64} MD step = 56800 step time: 00:00:00.327878 Performance: 28.411 ns/day 0.845 hours/ns 1.644 steps/s 2024-05-18 04:15:27,930 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56800 11360 68.904 -28653 7552 -36205 -36205 1.8359 -1.6835 -0.29291 1.0759e+05 2024-05-18 04:16:01,989 INFO [main.py:798]
{rank 0/64} MD step = 56900 step time: 00:00:00.327742 Performance: 28.425 ns/day 0.844 hours/ns 1.645 steps/s 2024-05-18 04:16:20,076 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56900 11380 69.477 -28494 7614.8 -36109 -36109 1.8395 -1.6894 -0.29289 1.0781e+05 2024-05-18 04:17:00,445 INFO [main.py:798]
{rank 0/64} MD step = 57000 step time: 00:00:00.327883 Performance: 28.427 ns/day 0.844 hours/ns 1.645 steps/s 2024-05-18 04:17:09,787 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 57000 11400 71.125 -28253 7795.4 -36049 -36049 1.8429 -1.6935 -0.29301 1.0804e+05 2024-05-18 04:17:44,052 INFO [main.py:798]
{rank 0/64} MD step = 57100 step time: 00:00:00.328225 Performance: 28.441 ns/day 0.844 hours/ns 1.646 steps/s 2024-05-18 04:18:04,104 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 57100 11420 70.393 -28493 7715.2 -36208 -36208 1.8479 -1.6964 -0.2936 1.0818e+05 2024-05-18 04:18:39,763 INFO [main.py:798]
{rank 0/64} MD step = 57200 step time: 00:00:00.327708 Performance: 28.445 ns/day 0.844 hours/ns 1.646 steps/s 2024-05-18 04:19:01,739 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 57200 11440 70.057 -28422 7678.3 -36100 -36100 1.8515 -1.7012 -0.29497 1.0842e+05 2024-05-18 04:19:37,536 INFO [main.py:798]
{rank 0/64} MD step = 57300 step time: 00:00:00.371632 Performance: 28.448 ns/day 0.844 hours/ns 1.646 steps/s 2024-05-18 04:19:43,449 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 57300 11460 70.258 -28463 7700.4 -36163 -36163 1.8562 -1.7066 -0.29499 1.086e+05 2024-05-18 04:20:20,079 INFO [main.py:798]
{rank 0/64} MD step = 57400 step time: 00:00:00.346669 Performance: 28.463 ns/day 0.843 hours/ns 1.647 steps/s 2024-05-18 04:20:26,318 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 57400 11480 69.972 -28480 7669 -36149 -36149 1.8616 -1.7106 -0.29628 1.0878e+05 2024-05-18 04:21:02,197 INFO [main.py:798]
{rank 0/64} MD step = 57500 step time: 00:00:00.376932 Performance: 28.478 ns/day 0.843 hours/ns 1.648 steps/s 2024-05-18 04:21:10,096 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 57500 11500 70.235 -28377 7697.9 -36075 -36075 1.8637 -1.7169 -0.29651 1.0896e+05 2024-05-18 04:21:44,285 INFO [main.py:798]
{rank 0/64} MD step = 57600 step time: 00:00:00.349153 Performance: 28.493 ns/day 0.842 hours/ns 1.649 steps/s 2024-05-18 04:22:17,081 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 57600 11520 70.715 -28545 7750.5 -36296 -36296 1.8676 -1.7205 -0.29619 1.0913e+05 2024-05-18 04:22:52,449 INFO [main.py:798]
{rank 0/64} MD step = 57700 step time: 00:00:00.352714 Performance: 28.487 ns/day 0.842 hours/ns 1.649 steps/s 2024-05-18 04:23:00,299 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 57700 11540 70.015 -28604 7673.8 -36278 -36278 1.8718 -1.7249 -0.29656 1.0935e+05 2024-05-18 04:23:35,557 INFO [main.py:798]
{rank 0/64} MD step = 57800 step time: 00:00:00.345313 Performance: 28.501 ns/day 0.842 hours/ns 1.649 steps/s 2024-05-18 04:23:47,313 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 57800 11560 70.039 -28588 7676.4 -36265 -36265 1.8758 -1.7289 -0.29558 1.0953e+05 2024-05-18 04:24:22,031 INFO [main.py:798]
{rank 0/64} MD step = 57900 step time: 00:00:00.344370 Performance: 28.513 ns/day 0.842 hours/ns 1.650 steps/s 2024-05-18 04:24:32,853 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 57900 11580 70.513 -28275 7728.4 -36004 -36004 1.8817 -1.7318 -0.29621 1.0972e+05 2024-05-18 04:25:07,598 INFO [main.py:798]
{rank 0/64} MD step = 58000 step time: 00:00:00.352053 Performance: 28.525 ns/day 0.841 hours/ns 1.651 steps/s 2024-05-18 04:25:13,093 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58000 11600 70.446 -28458 7721 -36179 -36179 1.886 -1.7371 -0.29625 1.0992e+05 2024-05-18 04:25:48,290 INFO [main.py:798]
{rank 0/64} MD step = 58100 step time: 00:00:00.347511 Performance: 28.541 ns/day 0.841 hours/ns 1.652 steps/s 2024-05-18 04:25:56,210 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58100 11620 70.849 -28425 7765.1 -36190 -36190 1.888 -1.7415 -0.29562 1.1011e+05 2024-05-18 04:26:31,652 INFO [main.py:798]
{rank 0/64} MD step = 58200 step time: 00:00:00.351756 Performance: 28.555 ns/day 0.840 hours/ns 1.652 steps/s 2024-05-18 04:26:36,675 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58200 11640 68.864 -28446 7547.6 -35993 -35993 1.892 -1.7465 -0.29636 1.103e+05 2024-05-18 04:27:11,241 INFO [main.py:798]
{rank 0/64} MD step = 58300 step time: 00:00:00.346174 Performance: 28.572 ns/day 0.840 hours/ns 1.653 steps/s 2024-05-18 04:27:21,901 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58300 11660 69.79 -28481 7649 -36130 -36130 1.896 -1.7515 -0.29623 1.105e+05 2024-05-18 04:27:55,853 INFO [main.py:798]
{rank 0/64} MD step = 58400 step time: 00:00:00.331463 Performance: 28.585 ns/day 0.840 hours/ns 1.654 steps/s 2024-05-18 04:28:07,409 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58400 11680 70.696 -28362 7748.4 -36110 -36110 1.8974 -1.7553 -0.29634 1.1066e+05 2024-05-18 04:28:41,946 INFO [main.py:798]
{rank 0/64} MD step = 58500 step time: 00:00:00.350512 Performance: 28.596 ns/day 0.839 hours/ns 1.655 steps/s 2024-05-18 04:28:55,152 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58500 11700 69.028 -28597 7565.6 -36162 -36162 1.8986 -1.7594 -0.29666 1.1089e+05 2024-05-18 04:29:30,158 INFO [main.py:798]
{rank 0/64} MD step = 58600 step time: 00:00:00.349723 Performance: 28.606 ns/day 0.839 hours/ns 1.655 steps/s 2024-05-18 04:29:45,695 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58600 11720 69.647 -28501 7633.4 -36134 -36134 1.903 -1.7646 -0.29722 1.1107e+05 2024-05-18 04:30:20,092 INFO [main.py:798]
{rank 0/64} MD step = 58700 step time: 00:00:00.345334 Performance: 28.615 ns/day 0.839 hours/ns 1.656 steps/s 2024-05-18 04:30:31,363 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58700 11740 70.927 -28187 7773.7 -35960 -35960 1.9054 -1.7683 -0.29703 1.113e+05 2024-05-18 04:31:07,981 INFO [main.py:798]
{rank 0/64} MD step = 58800 step time: 00:00:00.341501 Performance: 28.625 ns/day 0.838 hours/ns 1.657 steps/s 2024-05-18 04:31:11,988 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58800 11760 70.109 -28434 7684 -36118 -36118 1.9078 -1.7731 -0.29818 1.1148e+05 2024-05-18 04:31:48,605 INFO [main.py:798]
{rank 0/64} MD step = 58900 step time: 00:00:00.354627 Performance: 28.641 ns/day 0.838 hours/ns 1.657 steps/s 2024-05-18 04:31:56,783 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58900 11780 69.181 -28607 7582.3 -36190 -36190 1.9104 -1.7787 -0.29866 1.1164e+05 2024-05-18 04:32:32,262 INFO [main.py:798]
{rank 0/64} MD step = 59000 step time: 00:00:00.344031 Performance: 28.654 ns/day 0.838 hours/ns 1.658 steps/s 2024-05-18 04:32:40,932 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 59000 11800 70.623 -28455 7740.4 -36195 -36195 1.9138 -1.784 -0.29944 1.1183e+05 2024-05-18 04:33:14,856 INFO [main.py:798]
{rank 0/64} MD step = 59100 step time: 00:00:00.345023 Performance: 28.668 ns/day 0.837 hours/ns 1.659 steps/s 2024-05-18 04:33:23,614 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 59100 11820 69.631 -28431 7631.6 -36063 -36063 1.9182 -1.7863 -0.30027 1.1202e+05 2024-05-18 04:33:57,949 INFO [main.py:798]
{rank 0/64} MD step = 59200 step time: 00:00:00.329131 Performance: 28.682 ns/day 0.837 hours/ns 1.660 steps/s 2024-05-18 04:34:06,194 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 59200 11840 69.967 -28330 7668.4 -35998 -35998 1.9216 -1.7908 -0.29861 1.1223e+05 2024-05-18 04:34:41,141 INFO [main.py:798]
{rank 0/64} MD step = 59300 step time: 00:00:00.333168 Performance: 28.696 ns/day 0.836 hours/ns 1.661 steps/s 2024-05-18 04:34:49,557 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 59300 11860 69.989 -28472 7670.8 -36143 -36143 1.9241 -1.7958 -0.29839 1.1239e+05 2024-05-18 04:35:26,209 INFO [main.py:798]
{rank 0/64} MD step = 59400 step time: 00:00:00.352394 Performance: 28.708 ns/day 0.836 hours/ns 1.661 steps/s 2024-05-18 04:35:35,842 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 59400 11880 70.448 -28426 7721.2 -36147 -36147 1.9282 -1.7999 -0.2991 1.1256e+05 2024-05-18 04:36:10,048 INFO [main.py:798]
{rank 0/64} MD step = 59500 step time: 00:00:00.374590 Performance: 28.721 ns/day 0.836 hours/ns 1.662 steps/s 2024-05-18 04:36:23,960 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 59500 11900 69.429 -28397 7609.5 -36007 -36007 1.9309 -1.8046 -0.30011 1.1278e+05 2024-05-18 04:36:58,337 INFO [main.py:798]
{rank 0/64} MD step = 59600 step time: 00:00:00.333546 Performance: 28.731 ns/day 0.835 hours/ns 1.663 steps/s 2024-05-18 04:37:12,661 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 59600 11920 69.842 -28442 7654.8 -36097 -36097 1.9339 -1.8064 -0.30046 1.1296e+05 2024-05-18 04:37:46,870 INFO [main.py:798]
{rank 0/64} MD step = 59700 step time: 00:00:00.349816 Performance: 28.740 ns/day 0.835 hours/ns 1.663 steps/s 2024-05-18 04:37:57,272 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 59700 11940 70.044 -28303 7676.9 -35980 -35980 1.9354 -1.8119 -0.29957 1.1316e+05 2024-05-18 04:38:32,518 INFO [main.py:798]
{rank 0/64} MD step = 59800 step time: 00:00:00.370432 Performance: 28.751 ns/day 0.835 hours/ns 1.664 steps/s 2024-05-18 04:38:42,192 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 59800 11960 70.573 -28247 7734.9 -35982 -35982 1.9382 -1.817 -0.30049 1.1341e+05 2024-05-18 04:39:18,370 INFO [main.py:798]
{rank 0/64} MD step = 59900 step time: 00:00:00.371535 Performance: 28.763 ns/day 0.834 hours/ns 1.665 steps/s 2024-05-18 04:39:25,880 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 59900 11980 69.382 -28475 7604.3 -36080 -36080 1.9406 -1.82 -0.30047 1.1353e+05 2024-05-18 04:40:01,134 INFO [main.py:798]
{rank 0/64} MD step = 60000 step time: 00:00:00.355702 Performance: 28.777 ns/day 0.834 hours/ns 1.665 steps/s 2024-05-18 04:40:10,730 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60000 12000 69.192 -28354 7583.5 -35937 -35937 1.9418 -1.8258 -0.30078 1.1377e+05 2024-05-18 04:40:47,798 INFO [main.py:798]
{rank 0/64} MD step = 60100 step time: 00:00:00.365475 Performance: 28.787 ns/day 0.834 hours/ns 1.666 steps/s 2024-05-18 04:40:54,992 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60100 12020 69.975 -28469 7669.3 -36138 -36138 1.9456 -1.8302 -0.30036 1.1391e+05 2024-05-18 04:41:29,910 INFO [main.py:798]
{rank 0/64} MD step = 60200 step time: 00:00:00.326415 Performance: 28.802 ns/day 0.833 hours/ns 1.667 steps/s 2024-05-18 04:41:45,760 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60200 12040 69.865 -28550 7657.3 -36207 -36207 1.9479 -1.8343 -0.30034 1.141e+05 2024-05-18 04:42:19,845 INFO [main.py:798]
{rank 0/64} MD step = 60300 step time: 00:00:00.349347 Performance: 28.810 ns/day 0.833 hours/ns 1.667 steps/s 2024-05-18 04:42:26,531 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60300 12060 69.982 -28481 7670.1 -36151 -36151 1.9525 -1.8382 -0.29989 1.143e+05 2024-05-18 04:43:00,588 INFO [main.py:798]
{rank 0/64} MD step = 60400 step time: 00:00:00.350763 Performance: 28.825 ns/day 0.833 hours/ns 1.668 steps/s 2024-05-18 04:43:08,715 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60400 12080 70.702 -28420 7749.1 -36169 -36169 1.9555 -1.8416 -0.30073 1.1447e+05 2024-05-18 04:43:42,747 INFO [main.py:798]
{rank 0/64} MD step = 60500 step time: 00:00:00.353054 Performance: 28.839 ns/day 0.832 hours/ns 1.669 steps/s 2024-05-18 04:43:53,177 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60500 12100 70.471 -28454 7723.7 -36178 -36178 1.9591 -1.8456 -0.30222 1.1464e+05 2024-05-18 04:44:28,795 INFO [main.py:798]
{rank 0/64} MD step = 60600 step time: 00:00:00.346403 Performance: 28.850 ns/day 0.832 hours/ns 1.670 steps/s 2024-05-18 04:44:36,147 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60600 12120 70.419 -28449 7718 -36167 -36167 1.9607 -1.8491 -0.30158 1.1486e+05 2024-05-18 04:45:10,354 INFO [main.py:798]
{rank 0/64} MD step = 60700 step time: 00:00:00.351637 Performance: 28.865 ns/day 0.831 hours/ns 1.670 steps/s 2024-05-18 04:45:18,953 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60700 12140 69.598 -28715 7628.1 -36343 -36343 1.9649 -1.853 -0.30409 1.1507e+05 2024-05-18 04:45:53,468 INFO [main.py:798]
{rank 0/64} MD step = 60800 step time: 00:00:00.348454 Performance: 28.878 ns/day 0.831 hours/ns 1.671 steps/s 2024-05-18 04:46:02,281 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60800 12160 71.006 -28538 7782.3 -36320 -36320 1.9704 -1.8578 -0.30524 1.1521e+05 2024-05-18 04:46:36,575 INFO [main.py:798]
{rank 0/64} MD step = 60900 step time: 00:00:00.333992 Performance: 28.891 ns/day 0.831 hours/ns 1.672 steps/s 2024-05-18 04:46:45,574 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60900 12180 70.46 -28479 7722.5 -36201 -36201 1.9745 -1.863 -0.30417 1.1543e+05 2024-05-18 04:47:21,125 INFO [main.py:798]
{rank 0/64} MD step = 61000 step time: 00:00:00.368442 Performance: 28.903 ns/day 0.830 hours/ns 1.673 steps/s 2024-05-18 04:47:31,667 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61000 12200 69.998 -28599 7671.9 -36271 -36271 1.9786 -1.8696 -0.30343 1.1562e+05 2024-05-18 04:48:06,435 INFO [main.py:798]
{rank 0/64} MD step = 61100 step time: 00:00:00.357745 Performance: 28.915 ns/day 0.830 hours/ns 1.673 steps/s 2024-05-18 04:48:29,141 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61100 12220 70.011 -28409 7673.3 -36083 -36083 1.9823 -1.8721 -0.30278 1.1583e+05 2024-05-18 04:49:04,076 INFO [main.py:798]
{rank 0/64} MD step = 61200 step time: 00:00:00.356867 Performance: 28.916 ns/day 0.830 hours/ns 1.673 steps/s 2024-05-18 04:49:15,905 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61200 12240 69.518 -28643 7619.2 -36262 -36262 1.9844 -1.8767 -0.30367 1.1596e+05 2024-05-18 04:49:50,173 INFO [main.py:798]
{rank 0/64} MD step = 61300 step time: 00:00:00.326826 Performance: 28.927 ns/day 0.830 hours/ns 1.674 steps/s 2024-05-18 04:50:11,385 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61300 12260 70.241 -28440 7698.5 -36138 -36138 1.9877 -1.8808 -0.30266 1.1618e+05 2024-05-18 04:50:48,678 INFO [main.py:798]
{rank 0/64} MD step = 61400 step time: 00:00:00.350484 Performance: 28.928 ns/day 0.830 hours/ns 1.674 steps/s 2024-05-18 04:50:56,824 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61400 12280 70.761 -28263 7755.5 -36018 -36018 1.993 -1.886 -0.30453 1.1639e+05 2024-05-18 04:51:31,001 INFO [main.py:798]
{rank 0/64} MD step = 61500 step time: 00:00:00.332743 Performance: 28.942 ns/day 0.829 hours/ns 1.675 steps/s 2024-05-18 04:51:41,681 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61500 12300 69.477 -28594 7614.8 -36209 -36209 1.9971 -1.8887 -0.30493 1.1658e+05 2024-05-18 04:52:17,224 INFO [main.py:798]
{rank 0/64} MD step = 61600 step time: 00:00:00.350375 Performance: 28.952 ns/day 0.829 hours/ns 1.675 steps/s 2024-05-18 04:52:28,055 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61600 12320 70.041 -28421 7676.6 -36098 -36098 1.9985 -1.8936 -0.30623 1.1679e+05 2024-05-18 04:53:02,570 INFO [main.py:798]
{rank 0/64} MD step = 61700 step time: 00:00:00.325988 Performance: 28.964 ns/day 0.829 hours/ns 1.676 steps/s 2024-05-18 04:53:15,236 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61700 12340 69.456 -28702 7612.4 -36314 -36314 2.0021 -1.898 -0.30646 1.1693e+05 2024-05-18 04:53:49,661 INFO [main.py:798]
{rank 0/64} MD step = 61800 step time: 00:00:00.350957 Performance: 28.974 ns/day 0.828 hours/ns 1.677 steps/s 2024-05-18 04:54:02,079 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61800 12360 69.589 -28505 7627.1 -36132 -36132 2.004 -1.9018 -0.3065 1.1715e+05 2024-05-18 04:54:36,061 INFO [main.py:798]
{rank 0/64} MD step = 61900 step time: 00:00:00.340109 Performance: 28.984 ns/day 0.828 hours/ns 1.677 steps/s 2024-05-18 04:54:46,999 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61900 12380 70.386 -28352 7714.4 -36066 -36066 2.0078 -1.9054 -0.30625 1.1738e+05 2024-05-18 04:55:21,927 INFO [main.py:798]
{rank 0/64} MD step = 62000 step time: 00:00:00.345688 Performance: 28.995 ns/day 0.828 hours/ns 1.678 steps/s 2024-05-18 04:55:31,470 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 62000 12400 70.096 -28460 7682.6 -36142 -36142 2.0135 -1.91 -0.30613 1.1755e+05 2024-05-18 04:56:06,124 INFO [main.py:798]
{rank 0/64} MD step = 62100 step time: 00:00:00.342764 Performance: 29.007 ns/day 0.827 hours/ns 1.679 steps/s 2024-05-18 04:56:23,171 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 62100 12420 69.259 -28709 7590.9 -36299 -36299 2.0176 -1.9144 -0.30701 1.1772e+05 2024-05-18 04:56:58,059 INFO [main.py:798]
{rank 0/64} MD step = 62200 step time: 00:00:00.345894 Performance: 29.013 ns/day 0.827 hours/ns 1.679 steps/s 2024-05-18 04:57:04,002 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 62200 12440 69.883 -28557 7659.3 -36216 -36216 2.0212 -1.9183 -0.30564 1.1792e+05 2024-05-18 04:57:41,152 INFO [main.py:798]
{rank 0/64} MD step = 62300 step time: 00:00:00.368444 Performance: 29.026 ns/day 0.827 hours/ns 1.680 steps/s 2024-05-18 04:57:46,893 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 62300 12460 67.977 -28747 7450.4 -36197 -36197 2.0254 -1.9231 -0.30497 1.1811e+05 2024-05-18 04:58:21,778 INFO [main.py:798]
{rank 0/64} MD step = 62400 step time: 00:00:00.346003 Performance: 29.041 ns/day 0.826 hours/ns 1.681 steps/s 2024-05-18 04:58:29,374 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 62400 12480 70.393 -28545 7715.1 -36260 -36260 2.0289 -1.9286 -0.30482 1.1827e+05 2024-05-18 04:59:03,579 INFO [main.py:798]
{rank 0/64} MD step = 62500 step time: 00:00:00.327706 Performance: 29.054 ns/day 0.826 hours/ns 1.681 steps/s 2024-05-18 04:59:12,734 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 62500 12500 70.785 -28387 7758.1 -36145 -36145 2.031 -1.9335 -0.30647 1.1849e+05 2024-05-18 04:59:48,032 INFO [main.py:798]
{rank 0/64} MD step = 62600 step time: 00:00:00.327343 Performance: 29.066 ns/day 0.826 hours/ns 1.682 steps/s 2024-05-18 04:59:57,285 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 62600 12520 69.109 -28638 7574.5 -36212 -36212 2.0331 -1.9377 -0.30642 1.1868e+05 2024-05-18 05:00:32,083 INFO [main.py:798]
{rank 0/64} MD step = 62700 step time: 00:00:00.347068 Performance: 29.078 ns/day 0.825 hours/ns 1.683 steps/s 2024-05-18 05:00:40,876 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 62700 12540 70.4 -28552 7715.9 -36268 -36268 2.0357 -1.9432 -0.30853 1.1886e+05 2024-05-18 05:01:15,416 INFO [main.py:798]
{rank 0/64} MD step = 62800 step time: 00:00:00.353138 Performance: 29.091 ns/day 0.825 hours/ns 1.683 steps/s 2024-05-18 05:01:29,980 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 62800 12560 69.06 -28795 7569.1 -36364 -36364 2.039 -1.9472 -0.3092 1.1904e+05 2024-05-18 05:02:04,361 INFO [main.py:798]
{rank 0/64} MD step = 62900 step time: 00:00:00.357440 Performance: 29.099 ns/day 0.825 hours/ns 1.684 steps/s 2024-05-18 05:02:22,105 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 62900 12580 69.571 -28515 7625.1 -36140 -36140 2.0414 -1.9545 -0.31115 1.1925e+05 2024-05-18 05:02:56,582 INFO [main.py:798]
{rank 0/64} MD step = 63000 step time: 00:00:00.348287 Performance: 29.104 ns/day 0.825 hours/ns 1.684 steps/s 2024-05-18 05:03:06,778 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63000 12600 69.524 -28583 7619.9 -36203 -36203 2.044 -1.9587 -0.31248 1.1939e+05 2024-05-18 05:03:41,618 INFO [main.py:798]
{rank 0/64} MD step = 63100 step time: 00:00:00.352411 Performance: 29.115 ns/day 0.824 hours/ns 1.685 steps/s 2024-05-18 05:03:51,920 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63100 12620 69.703 -28605 7639.6 -36244 -36244 2.0467 -1.9649 -0.31194 1.196e+05 2024-05-18 05:04:26,952 INFO [main.py:798]
{rank 0/64} MD step = 63200 step time: 00:00:00.339867 Performance: 29.126 ns/day 0.824 hours/ns 1.686 steps/s 2024-05-18 05:04:34,280 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63200 12640 70.056 -28461 7678.2 -36139 -36139 2.0515 -1.9696 -0.31135 1.1979e+05 2024-05-18 05:05:08,585 INFO [main.py:798]
{rank 0/64} MD step = 63300 step time: 00:00:00.327434 Performance: 29.140 ns/day 0.824 hours/ns 1.686 steps/s 2024-05-18 05:05:19,382 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63300 12660 69.967 -28829 7668.5 -36497 -36497 2.0566 -1.9735 -0.31037 1.1991e+05 2024-05-18 05:05:53,146 INFO [main.py:798]
{rank 0/64} MD step = 63400 step time: 00:00:00.333583 Performance: 29.152 ns/day 0.823 hours/ns 1.687 steps/s 2024-05-18 05:06:01,023 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63400 12680 69.639 -28690 7632.5 -36323 -36323 2.0594 -1.9764 -0.30895 1.2016e+05 2024-05-18 05:06:35,668 INFO [main.py:798]
{rank 0/64} MD step = 63500 step time: 00:00:00.329237 Performance: 29.165 ns/day 0.823 hours/ns 1.688 steps/s 2024-05-18 05:06:40,728 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63500 12700 68.469 -28689 7504.3 -36193 -36193 2.0633 -1.9809 -0.30816 1.2036e+05 2024-05-18 05:07:17,597 INFO [main.py:798]
{rank 0/64} MD step = 63600 step time: 00:00:00.340093 Performance: 29.178 ns/day 0.823 hours/ns 1.689 steps/s 2024-05-18 05:07:24,765 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63600 12720 70.013 -28413 7673.5 -36086 -36086 2.0671 -1.9861 -0.30702 1.2056e+05 2024-05-18 05:07:59,254 INFO [main.py:798]
{rank 0/64} MD step = 63700 step time: 00:00:00.327349 Performance: 29.192 ns/day 0.822 hours/ns 1.689 steps/s 2024-05-18 05:08:08,296 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63700 12740 70.364 -28304 7711.9 -36016 -36016 2.0699 -1.9922 -0.30713 1.2077e+05 2024-05-18 05:08:42,583 INFO [main.py:798]
{rank 0/64} MD step = 63800 step time: 00:00:00.331570 Performance: 29.204 ns/day 0.822 hours/ns 1.690 steps/s 2024-05-18 05:08:49,305 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63800 12760 70.117 -28406 7685 -36091 -36091 2.0725 -1.997 -0.30716 1.2097e+05 2024-05-18 05:09:24,024 INFO [main.py:798]
{rank 0/64} MD step = 63900 step time: 00:00:00.327181 Performance: 29.217 ns/day 0.821 hours/ns 1.691 steps/s 2024-05-18 05:09:29,969 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63900 12780 69.396 -28714 7605.9 -36320 -36320 2.0742 -2.0023 -0.30674 1.2113e+05 2024-05-18 05:10:04,380 INFO [main.py:798]
{rank 0/64} MD step = 64000 step time: 00:00:00.326965 Performance: 29.232 ns/day 0.821 hours/ns 1.692 steps/s 2024-05-18 05:10:10,917 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64000 12800 69.412 -28535 7607.6 -36142 -36142 2.0783 -2.0065 -0.30599 1.2133e+05 2024-05-18 05:10:45,741 INFO [main.py:798]
{rank 0/64} MD step = 64100 step time: 00:00:00.327305 Performance: 29.246 ns/day 0.821 hours/ns 1.692 steps/s 2024-05-18 05:10:54,666 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64100 12820 70.515 -28532 7728.6 -36261 -36261 2.0815 -2.01 -0.30689 1.2156e+05 2024-05-18 05:11:29,123 INFO [main.py:798]
{rank 0/64} MD step = 64200 step time: 00:00:00.329978 Performance: 29.258 ns/day 0.820 hours/ns 1.693 steps/s 2024-05-18 05:11:34,961 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64200 12840 69.715 -28401 7640.9 -36042 -36042 2.0857 -2.0155 -0.30781 1.2177e+05 2024-05-18 05:12:09,341 INFO [main.py:798]
{rank 0/64} MD step = 64300 step time: 00:00:00.330944 Performance: 29.272 ns/day 0.820 hours/ns 1.694 steps/s 2024-05-18 05:12:15,573 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64300 12860 69.609 -28465 7629.2 -36094 -36094 2.0902 -2.019 -0.30947 1.2198e+05 2024-05-18 05:12:50,383 INFO [main.py:798]
{rank 0/64} MD step = 64400 step time: 00:00:00.350849 Performance: 29.286 ns/day 0.819 hours/ns 1.695 steps/s 2024-05-18 05:12:56,522 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64400 12880 71.071 -28304 7789.5 -36094 -36094 2.0938 -2.0249 -0.30905 1.2217e+05 2024-05-18 05:13:30,345 INFO [main.py:798]
{rank 0/64} MD step = 64500 step time: 00:00:00.327353 Performance: 29.301 ns/day 0.819 hours/ns 1.696 steps/s 2024-05-18 05:13:35,840 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64500 12900 69.662 -28599 7635.1 -36234 -36234 2.0983 -2.0311 -0.30841 1.2234e+05 2024-05-18 05:14:10,273 INFO [main.py:798]
{rank 0/64} MD step = 64600 step time: 00:00:00.329580 Performance: 29.316 ns/day 0.819 hours/ns 1.696 steps/s 2024-05-18 05:14:16,711 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64600 12920 69.963 -28566 7668 -36234 -36234 2.102 -2.0366 -0.30802 1.2254e+05 2024-05-18 05:14:51,430 INFO [main.py:798]
{rank 0/64} MD step = 64700 step time: 00:00:00.330303 Performance: 29.329 ns/day 0.818 hours/ns 1.697 steps/s 2024-05-18 05:14:57,022 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64700 12940 69.566 -28635 7624.5 -36259 -36259 2.1052 -2.0414 -0.3079 1.2272e+05 2024-05-18 05:15:30,914 INFO [main.py:798]
{rank 0/64} MD step = 64800 step time: 00:00:00.331981 Performance: 29.344 ns/day 0.818 hours/ns 1.698 steps/s 2024-05-18 05:15:36,739 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64800 12960 70.476 -28583 7724.3 -36307 -36307 2.1079 -2.0459 -0.309 1.2287e+05 2024-05-18 05:16:10,750 INFO [main.py:798]
{rank 0/64} MD step = 64900 step time: 00:00:00.333278 Performance: 29.359 ns/day 0.817 hours/ns 1.699 steps/s 2024-05-18 05:16:14,548 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64900 12980 69.931 -28539 7664.5 -36203 -36203 2.1134 -2.0512 -0.30933 1.2309e+05 2024-05-18 05:16:50,461 INFO [main.py:798]
{rank 0/64} MD step = 65000 step time: 00:00:00.353114 Performance: 29.373 ns/day 0.817 hours/ns 1.700 steps/s 2024-05-18 05:16:56,163 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 65000 13000 70.269 -28532 7701.6 -36234 -36234 2.1158 -2.0552 -0.30922 1.2323e+05 2024-05-18 05:17:30,870 INFO [main.py:798]
{rank 0/64} MD step = 65100 step time: 00:00:00.353930 Performance: 29.388 ns/day 0.817 hours/ns 1.701 steps/s 2024-05-18 05:17:36,861 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 65100 13020 70.688 -28535 7747.5 -36282 -36282 2.1184 -2.0587 -0.30689 1.2346e+05 2024-05-18 05:18:12,219 INFO [main.py:798]
{rank 0/64} MD step = 65200 step time: 00:00:00.347793 Performance: 29.401 ns/day 0.816 hours/ns 1.701 steps/s 2024-05-18 05:18:18,344 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 65200 13040 70.613 -28496 7739.3 -36235 -36235 2.121 -2.0631 -0.30818 1.2364e+05 2024-05-18 05:18:53,130 INFO [main.py:798]
{rank 0/64} MD step = 65300 step time: 00:00:00.347300 Performance: 29.415 ns/day 0.816 hours/ns 1.702 steps/s 2024-05-18 05:19:01,977 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 65300 13060 69.259 -28672 7590.8 -36263 -36263 2.1248 -2.0673 -0.30913 1.2381e+05 2024-05-18 05:19:36,874 INFO [main.py:798]
{rank 0/64} MD step = 65400 step time: 00:00:00.330170 Performance: 29.426 ns/day 0.816 hours/ns 1.703 steps/s 2024-05-18 05:19:42,960 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 65400 13080 69.694 -28540 7638.6 -36179 -36179 2.1268 -2.0723 -0.30855 1.24e+05 2024-05-18 05:20:17,402 INFO [main.py:798]
{rank 0/64} MD step = 65500 step time: 00:00:00.346589 Performance: 29.440 ns/day 0.815 hours/ns 1.704 steps/s 2024-05-18 05:20:22,635 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 65500 13100 69.782 -28591 7648.2 -36239 -36239 2.1307 -2.0764 -0.30969 1.2418e+05 2024-05-18 05:20:58,338 INFO [main.py:798]
{rank 0/64} MD step = 65600 step time: 00:00:00.367679 Performance: 29.454 ns/day 0.815 hours/ns 1.704 steps/s 2024-05-18 05:21:23,941 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 65600 13120 70.572 -28547 7734.8 -36282 -36282 2.1345 -2.0819 -0.31074 1.2437e+05 2024-05-18 05:21:57,664 INFO [main.py:798]
{rank 0/64} MD step = 65700 step time: 00:00:00.337030 Performance: 29.453 ns/day 0.815 hours/ns 1.704 steps/s 2024-05-18 05:22:09,444 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 65700 13140 68.921 -28573 7553.8 -36127 -36127 2.1359 -2.0858 -0.31133 1.2456e+05 2024-05-18 05:22:44,002 INFO [main.py:798]
{rank 0/64} MD step = 65800 step time: 00:00:00.336158 Performance: 29.463 ns/day 0.815 hours/ns 1.705 steps/s 2024-05-18 05:23:00,851 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 65800 13160 69.404 -28506 7606.8 -36113 -36113 2.1376 -2.0896 -0.31202 1.2475e+05 2024-05-18 05:23:36,890 INFO [main.py:798]
{rank 0/64} MD step = 65900 step time: 00:00:00.369166 Performance: 29.467 ns/day 0.814 hours/ns 1.705 steps/s 2024-05-18 05:23:44,380 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 65900 13180 70.558 -28365 7733.2 -36098 -36098 2.1397 -2.0942 -0.31308 1.2492e+05 2024-05-18 05:24:18,548 INFO [main.py:798]
{rank 0/64} MD step = 66000 step time: 00:00:00.333833 Performance: 29.480 ns/day 0.814 hours/ns 1.706 steps/s 2024-05-18 05:24:26,208 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66000 13200 69.231 -28498 7587.8 -36085 -36085 2.142 -2.0984 -0.31284 1.2512e+05 2024-05-18 05:25:01,044 INFO [main.py:798]
{rank 0/64} MD step = 66100 step time: 00:00:00.350018 Performance: 29.492 ns/day 0.814 hours/ns 1.707 steps/s 2024-05-18 05:25:16,138 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66100 13220 70.641 -28481 7742.3 -36223 -36223 2.1436 -2.1024 -0.31375 1.2535e+05 2024-05-18 05:25:51,547 INFO [main.py:798]
{rank 0/64} MD step = 66200 step time: 00:00:00.349314 Performance: 29.498 ns/day 0.814 hours/ns 1.707 steps/s 2024-05-18 05:26:01,876 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66200 13240 69.9 -28481 7661.1 -36142 -36142 2.1454 -2.1076 -0.31395 1.2555e+05 2024-05-18 05:26:37,767 INFO [main.py:798]
{rank 0/64} MD step = 66300 step time: 00:00:00.369771 Performance: 29.508 ns/day 0.813 hours/ns 1.708 steps/s 2024-05-18 05:26:54,183 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66300 13260 70.159 -28468 7689.5 -36158 -36158 2.1514 -2.1126 -0.31438 1.2575e+05 2024-05-18 05:27:30,393 INFO [main.py:798]
{rank 0/64} MD step = 66400 step time: 00:00:00.359442 Performance: 29.512 ns/day 0.813 hours/ns 1.708 steps/s 2024-05-18 05:27:38,811 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66400 13280 69.967 -28493 7668.5 -36162 -36162 2.1559 -2.1168 -0.3164 1.2595e+05 2024-05-18 05:28:13,082 INFO [main.py:798]
{rank 0/64} MD step = 66500 step time: 00:00:00.347925 Performance: 29.524 ns/day 0.813 hours/ns 1.709 steps/s 2024-05-18 05:28:21,669 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66500 13300 70.136 -28492 7687 -36179 -36179 2.1577 -2.1221 -0.31648 1.2617e+05 2024-05-18 05:28:55,955 INFO [main.py:798]
{rank 0/64} MD step = 66600 step time: 00:00:00.350382 Performance: 29.536 ns/day 0.813 hours/ns 1.709 steps/s 2024-05-18 05:29:08,415 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66600 13320 69.608 -28643 7629.2 -36272 -36272 2.1618 -2.1267 -0.31867 1.2633e+05 2024-05-18 05:29:42,900 INFO [main.py:798]
{rank 0/64} MD step = 66700 step time: 00:00:00.353211 Performance: 29.545 ns/day 0.812 hours/ns 1.710 steps/s 2024-05-18 05:29:50,841 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66700 13340 70.327 -28498 7707.9 -36206 -36206 2.1656 -2.1326 -0.32021 1.2654e+05 2024-05-18 05:30:25,620 INFO [main.py:798]
{rank 0/64} MD step = 66800 step time: 00:00:00.353302 Performance: 29.557 ns/day 0.812 hours/ns 1.710 steps/s 2024-05-18 05:30:34,079 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66800 13360 70.291 -28425 7704 -36129 -36129 2.1699 -2.1375 -0.32053 1.2673e+05 2024-05-18 05:31:09,049 INFO [main.py:798]
{rank 0/64} MD step = 66900 step time: 00:00:00.351545 Performance: 29.568 ns/day 0.812 hours/ns 1.711 steps/s 2024-05-18 05:31:19,427 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66900 13380 69.5 -28540 7617.3 -36157 -36157 2.1731 -2.1423 -0.3212 1.2694e+05 2024-05-18 05:31:53,806 INFO [main.py:798]
{rank 0/64} MD step = 67000 step time: 00:00:00.333273 Performance: 29.578 ns/day 0.811 hours/ns 1.712 steps/s 2024-05-18 05:32:00,860 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 67000 13400 69.805 -28561 7650.7 -36212 -36212 2.1765 -2.1465 -0.32141 1.2712e+05 2024-05-18 05:32:35,557 INFO [main.py:798]
{rank 0/64} MD step = 67100 step time: 00:00:00.327363 Performance: 29.591 ns/day 0.811 hours/ns 1.712 steps/s 2024-05-18 05:32:52,113 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 67100 13420 69.709 -28617 7640.2 -36258 -36258 2.1783 -2.1508 -0.32127 1.273e+05 2024-05-18 05:33:26,491 INFO [main.py:798]
{rank 0/64} MD step = 67200 step time: 00:00:00.349768 Performance: 29.597 ns/day 0.811 hours/ns 1.713 steps/s 2024-05-18 05:33:35,611 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 67200 13440 69.116 -28644 7575.2 -36219 -36219 2.1823 -2.1556 -0.3226 1.275e+05 2024-05-18 05:34:09,496 INFO [main.py:798]
{rank 0/64} MD step = 67300 step time: 00:00:00.338979 Performance: 29.608 ns/day 0.811 hours/ns 1.713 steps/s 2024-05-18 05:34:19,271 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 67300 13460 69.865 -28387 7657.3 -36044 -36044 2.1846 -2.1606 -0.32208 1.2771e+05 2024-05-18 05:34:53,516 INFO [main.py:798]
{rank 0/64} MD step = 67400 step time: 00:00:00.347564 Performance: 29.619 ns/day 0.810 hours/ns 1.714 steps/s 2024-05-18 05:35:02,094 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 67400 13480 69.639 -28382 7632.5 -36015 -36015 2.1867 -2.1647 -0.32114 1.2793e+05 2024-05-18 05:35:37,323 INFO [main.py:798]
{rank 0/64} MD step = 67500 step time: 00:00:00.370363 Performance: 29.630 ns/day 0.810 hours/ns 1.715 steps/s 2024-05-18 05:35:42,577 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 67500 13500 68.985 -28446 7560.9 -36007 -36007 2.1882 -2.1698 -0.32345 1.2816e+05 2024-05-18 05:36:16,820 INFO [main.py:798]
{rank 0/64} MD step = 67600 step time: 00:00:00.340113 Performance: 29.644 ns/day 0.810 hours/ns 1.716 steps/s 2024-05-18 05:36:33,903 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 67600 13520 70.328 -28340 7708 -36048 -36048 2.1914 -2.1746 -0.32488 1.2836e+05 2024-05-18 05:37:08,491 INFO [main.py:798]
{rank 0/64} MD step = 67700 step time: 00:00:00.348354 Performance: 29.649 ns/day 0.809 hours/ns 1.716 steps/s 2024-05-18 05:37:18,030 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 67700 13540 69.297 -28425 7595.1 -36020 -36020 2.1944 -2.1786 -0.32501 1.2854e+05 2024-05-18 05:37:52,504 INFO [main.py:798]
{rank 0/64} MD step = 67800 step time: 00:00:00.351977 Performance: 29.660 ns/day 0.809 hours/ns 1.716 steps/s 2024-05-18 05:38:05,795 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 67800 13560 70.002 -28561 7672.3 -36233 -36233 2.1975 -2.1831 -0.32611 1.2869e+05 2024-05-18 05:38:39,966 INFO [main.py:798]
{rank 0/64} MD step = 67900 step time: 00:00:00.351173 Performance: 29.668 ns/day 0.809 hours/ns 1.717 steps/s 2024-05-18 05:38:47,444 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 67900 13580 70.119 -28419 7685.1 -36104 -36104 2.2018 -2.1892 -0.32769 1.2888e+05 2024-05-18 05:39:21,971 INFO [main.py:798]
{rank 0/64} MD step = 68000 step time: 00:00:00.356675 Performance: 29.680 ns/day 0.809 hours/ns 1.718 steps/s 2024-05-18 05:39:28,695 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68000 13600 70.012 -28395 7673.4 -36068 -36068 2.2053 -2.1935 -0.32659 1.2909e+05 2024-05-18 05:40:03,013 INFO [main.py:798]
{rank 0/64} MD step = 68100 step time: 00:00:00.348619 Performance: 29.693 ns/day 0.808 hours/ns 1.718 steps/s 2024-05-18 05:40:10,299 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68100 13620 70.377 -28425 7713.4 -36139 -36139 2.2071 -2.1995 -0.3261 1.2925e+05 2024-05-18 05:40:44,944 INFO [main.py:798]
{rank 0/64} MD step = 68200 step time: 00:00:00.358238 Performance: 29.705 ns/day 0.808 hours/ns 1.719 steps/s 2024-05-18 05:41:01,883 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68200 13640 71.302 -28250 7814.8 -36065 -36065 2.2103 -2.2041 -0.3255 1.2947e+05 2024-05-18 05:41:38,594 INFO [main.py:798]
{rank 0/64} MD step = 68300 step time: 00:00:00.375759 Performance: 29.709 ns/day 0.808 hours/ns 1.719 steps/s 2024-05-18 05:41:45,642 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68300 13660 70.114 -28344 7684.5 -36029 -36029 2.2127 -2.2097 -0.32499 1.2972e+05 2024-05-18 05:42:20,596 INFO [main.py:798]
{rank 0/64} MD step = 68400 step time: 00:00:00.347971 Performance: 29.721 ns/day 0.808 hours/ns 1.720 steps/s 2024-05-18 05:42:29,283 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68400 13680 69.827 -28410 7653.1 -36063 -36063 2.2167 -2.214 -0.32417 1.299e+05 2024-05-18 05:43:03,847 INFO [main.py:798]
{rank 0/64} MD step = 68500 step time: 00:00:00.326322 Performance: 29.732 ns/day 0.807 hours/ns 1.721 steps/s 2024-05-18 05:43:13,261 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68500 13700 69.855 -28593 7656.2 -36249 -36249 2.2203 -2.2198 -0.32676 1.3005e+05 2024-05-18 05:43:48,655 INFO [main.py:798]
{rank 0/64} MD step = 68600 step time: 00:00:00.328485 Performance: 29.742 ns/day 0.807 hours/ns 1.721 steps/s 2024-05-18 05:44:01,537 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68600 13720 70.894 -28411 7770.1 -36181 -36181 2.2227 -2.2238 -0.32857 1.3021e+05 2024-05-18 05:44:36,005 INFO [main.py:798]
{rank 0/64} MD step = 68700 step time: 00:00:00.341809 Performance: 29.750 ns/day 0.807 hours/ns 1.722 steps/s 2024-05-18 05:44:46,503 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68700 13740 68.888 -28698 7550.2 -36248 -36248 2.2274 -2.2277 -0.32838 1.3038e+05 2024-05-18 05:45:21,698 INFO [main.py:798]
{rank 0/64} MD step = 68800 step time: 00:00:00.360390 Performance: 29.759 ns/day 0.806 hours/ns 1.722 steps/s 2024-05-18 05:45:26,512 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68800 13760 69.565 -28456 7624.4 -36080 -36080 2.23 -2.2325 -0.32874 1.3061e+05 2024-05-18 05:46:00,906 INFO [main.py:798]
{rank 0/64} MD step = 68900 step time: 00:00:00.352303 Performance: 29.773 ns/day 0.806 hours/ns 1.723 steps/s 2024-05-18 05:46:07,040 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68900 13780 69.935 -28514 7665 -36179 -36179 2.2322 -2.238 -0.33152 1.3077e+05 2024-05-18 05:46:41,537 INFO [main.py:798]
{rank 0/64} MD step = 69000 step time: 00:00:00.335821 Performance: 29.786 ns/day 0.806 hours/ns 1.724 steps/s 2024-05-18 05:46:48,683 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69000 13800 70.003 -28395 7672.4 -36068 -36068 2.2341 -2.2417 -0.33262 1.3098e+05 2024-05-18 05:47:24,252 INFO [main.py:798]
{rank 0/64} MD step = 69100 step time: 00:00:00.354848 Performance: 29.797 ns/day 0.805 hours/ns 1.724 steps/s 2024-05-18 05:47:30,702 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69100 13820 68.95 -28425 7557 -35982 -35982 2.238 -2.247 -0.3312 1.3116e+05 2024-05-18 05:48:05,403 INFO [main.py:798]
{rank 0/64} MD step = 69200 step time: 00:00:00.348146 Performance: 29.810 ns/day 0.805 hours/ns 1.725 steps/s 2024-05-18 05:48:11,170 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69200 13840 69.374 -28471 7603.5 -36074 -36074 2.2412 -2.2516 -0.33103 1.3133e+05 2024-05-18 05:48:45,835 INFO [main.py:798]
{rank 0/64} MD step = 69300 step time: 00:00:00.342718 Performance: 29.823 ns/day 0.805 hours/ns 1.726 steps/s 2024-05-18 05:48:55,896 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69300 13860 69.193 -28488 7583.6 -36072 -36072 2.2428 -2.2553 -0.33023 1.3154e+05 2024-05-18 05:49:30,681 INFO [main.py:798]
{rank 0/64} MD step = 69400 step time: 00:00:00.341789 Performance: 29.833 ns/day 0.804 hours/ns 1.726 steps/s 2024-05-18 05:49:37,788 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69400 13880 69.467 -28438 7613.6 -36052 -36052 2.2464 -2.2607 -0.33114 1.3177e+05 2024-05-18 05:50:12,471 INFO [main.py:798]
{rank 0/64} MD step = 69500 step time: 00:00:00.357953 Performance: 29.844 ns/day 0.804 hours/ns 1.727 steps/s 2024-05-18 05:50:18,529 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69500 13900 69.269 -28556 7592 -36148 -36148 2.2468 -2.2657 -0.33126 1.3195e+05 2024-05-18 05:50:53,401 INFO [main.py:798]
{rank 0/64} MD step = 69600 step time: 00:00:00.357632 Performance: 29.857 ns/day 0.804 hours/ns 1.728 steps/s 2024-05-18 05:51:12,969 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69600 13920 71.305 -28296 7815.1 -36111 -36111 2.2489 -2.2694 -0.33187 1.3215e+05 2024-05-18 05:51:47,106 INFO [main.py:798]
{rank 0/64} MD step = 69700 step time: 00:00:00.352961 Performance: 29.860 ns/day 0.804 hours/ns 1.728 steps/s 2024-05-18 05:51:55,910 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69700 13940 69.832 -28395 7653.7 -36048 -36048 2.2517 -2.2731 -0.33216 1.3237e+05 2024-05-18 05:52:30,593 INFO [main.py:798]
{rank 0/64} MD step = 69800 step time: 00:00:00.353279 Performance: 29.871 ns/day 0.803 hours/ns 1.729 steps/s 2024-05-18 05:52:36,975 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69800 13960 69.424 -28666 7608.9 -36275 -36275 2.256 -2.2774 -0.33284 1.325e+05 2024-05-18 05:53:11,391 INFO [main.py:798]
{rank 0/64} MD step = 69900 step time: 00:00:00.352692 Performance: 29.883 ns/day 0.803 hours/ns 1.729 steps/s 2024-05-18 05:53:18,036 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69900 13980 70.166 -28460 7690.3 -36151 -36151 2.261 -2.2829 -0.33259 1.3271e+05 2024-05-18 05:53:52,477 INFO [main.py:798]
{rank 0/64} MD step = 70000 step time: 00:00:00.347399 Performance: 29.896 ns/day 0.803 hours/ns 1.730 steps/s 2024-05-18 05:53:58,690 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70000 14000 69.569 -28558 7624.8 -36183 -36183 2.2638 -2.2882 -0.33402 1.3288e+05 2024-05-18 05:54:32,799 INFO [main.py:798]
{rank 0/64} MD step = 70100 step time: 00:00:00.356149 Performance: 29.909 ns/day 0.802 hours/ns 1.731 steps/s 2024-05-18 05:54:37,450 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70100 14020 70.763 -28480 7755.7 -36236 -36236 2.2671 -2.2925 -0.33369 1.3306e+05 2024-05-18 05:55:13,309 INFO [main.py:798]
{rank 0/64} MD step = 70200 step time: 00:00:00.343743 Performance: 29.921 ns/day 0.802 hours/ns 1.732 steps/s 2024-05-18 05:55:19,040 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70200 14040 69.569 -28488 7624.9 -36113 -36113 2.2688 -2.2977 -0.33503 1.3327e+05 2024-05-18 05:55:53,420 INFO [main.py:798]
{rank 0/64} MD step = 70300 step time: 00:00:00.346700 Performance: 29.934 ns/day 0.802 hours/ns 1.732 steps/s 2024-05-18 05:55:58,460 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70300 14060 69.892 -28449 7660.3 -36109 -36109 2.2698 -2.3028 -0.33347 1.3347e+05 2024-05-18 05:56:33,003 INFO [main.py:798]
{rank 0/64} MD step = 70400 step time: 00:00:00.338396 Performance: 29.948 ns/day 0.801 hours/ns 1.733 steps/s 2024-05-18 05:56:44,796 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70400 14080 69.369 -28477 7602.9 -36080 -36080 2.2744 -2.3069 -0.33286 1.3365e+05 2024-05-18 05:57:19,730 INFO [main.py:798]
{rank 0/64} MD step = 70500 step time: 00:00:00.332166 Performance: 29.956 ns/day 0.801 hours/ns 1.734 steps/s 2024-05-18 05:57:27,845 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70500 14100 68.637 -28738 7522.8 -36261 -36261 2.2787 -2.3115 -0.33421 1.3384e+05 2024-05-18 05:58:03,717 INFO [main.py:798]
{rank 0/64} MD step = 70600 step time: 00:00:00.331897 Performance: 29.966 ns/day 0.801 hours/ns 1.734 steps/s 2024-05-18 05:58:09,187 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70600 14120 69.669 -28512 7635.9 -36148 -36148 2.2823 -2.315 -0.33484 1.3404e+05 2024-05-18 05:58:43,367 INFO [main.py:798]
{rank 0/64} MD step = 70700 step time: 00:00:00.327424 Performance: 29.979 ns/day 0.801 hours/ns 1.735 steps/s 2024-05-18 05:58:47,242 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70700 14140 70.525 -28395 7729.7 -36124 -36124 2.2855 -2.3174 -0.33398 1.3424e+05 2024-05-18 05:59:23,137 INFO [main.py:798]
{rank 0/64} MD step = 70800 step time: 00:00:00.331793 Performance: 29.992 ns/day 0.800 hours/ns 1.736 steps/s 2024-05-18 05:59:28,550 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70800 14160 69.011 -28443 7563.7 -36007 -36007 2.2894 -2.321 -0.33442 1.3445e+05 2024-05-18 06:00:02,906 INFO [main.py:798]
{rank 0/64} MD step = 70900 step time: 00:00:00.326969 Performance: 30.005 ns/day 0.800 hours/ns 1.736 steps/s 2024-05-18 06:00:08,383 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70900 14180 69.534 -28296 7621 -35917 -35917 2.2942 -2.3271 -0.33457 1.3467e+05 2024-05-18 06:00:43,765 INFO [main.py:798]
{rank 0/64} MD step = 71000 step time: 00:00:00.326386 Performance: 30.018 ns/day 0.800 hours/ns 1.737 steps/s 2024-05-18 06:00:49,076 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71000 14200 70.121 -28471 7685.3 -36157 -36157 2.2972 -2.3314 -0.33516 1.3483e+05 2024-05-18 06:01:24,158 INFO [main.py:798]
{rank 0/64} MD step = 71100 step time: 00:00:00.355855 Performance: 30.030 ns/day 0.799 hours/ns 1.738 steps/s 2024-05-18 06:01:34,358 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71100 14220 70.089 -28259 7681.8 -35940 -35940 2.3006 -2.3354 -0.33526 1.3504e+05 2024-05-18 06:02:09,315 INFO [main.py:798]
{rank 0/64} MD step = 71200 step time: 00:00:00.359025 Performance: 30.039 ns/day 0.799 hours/ns 1.738 steps/s 2024-05-18 06:02:14,692 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71200 14240 70.492 -28392 7726 -36118 -36118 2.3029 -2.3386 -0.3363 1.3523e+05 2024-05-18 06:02:48,569 INFO [main.py:798]
{rank 0/64} MD step = 71300 step time: 00:00:00.349549 Performance: 30.053 ns/day 0.799 hours/ns 1.739 steps/s 2024-05-18 06:02:54,891 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71300 14260 68.335 -28495 7489.6 -35985 -35985 2.3055 -2.3421 -0.33762 1.3544e+05 2024-05-18 06:03:29,182 INFO [main.py:798]
{rank 0/64} MD step = 71400 step time: 00:00:00.338683 Performance: 30.065 ns/day 0.798 hours/ns 1.740 steps/s 2024-05-18 06:03:36,510 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71400 14280 69.98 -28349 7669.9 -36019 -36019 2.3089 -2.3454 -0.33806 1.3565e+05 2024-05-18 06:04:10,767 INFO [main.py:798]
{rank 0/64} MD step = 71500 step time: 00:00:00.348823 Performance: 30.077 ns/day 0.798 hours/ns 1.741 steps/s 2024-05-18 06:04:17,129 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71500 14300 70.945 -28149 7775.6 -35924 -35924 2.3116 -2.3488 -0.34036 1.3583e+05 2024-05-18 06:04:51,230 INFO [main.py:798]
{rank 0/64} MD step = 71600 step time: 00:00:00.340220 Performance: 30.089 ns/day 0.798 hours/ns 1.741 steps/s 2024-05-18 06:04:57,598 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71600 14320 69.89 -28322 7660 -35982 -35982 2.3138 -2.3532 -0.34078 1.3602e+05 2024-05-18 06:05:32,216 INFO [main.py:798]
{rank 0/64} MD step = 71700 step time: 00:00:00.349477 Performance: 30.101 ns/day 0.797 hours/ns 1.742 steps/s 2024-05-18 06:05:37,101 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71700 14340 69.49 -28547 7616.1 -36163 -36163 2.3176 -2.3585 -0.33968 1.362e+05 2024-05-18 06:06:12,501 INFO [main.py:798]
{rank 0/64} MD step = 71800 step time: 00:00:00.353106 Performance: 30.114 ns/day 0.797 hours/ns 1.743 steps/s 2024-05-18 06:06:18,879 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71800 14360 70.249 -28554 7699.4 -36253 -36253 2.3208 -2.3642 -0.3392 1.3637e+05 2024-05-18 06:06:52,859 INFO [main.py:798]
{rank 0/64} MD step = 71900 step time: 00:00:00.342889 Performance: 30.126 ns/day 0.797 hours/ns 1.743 steps/s 2024-05-18 06:06:59,419 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71900 14380 69.713 -28570 7640.6 -36210 -36210 2.3234 -2.3689 -0.33771 1.3655e+05 2024-05-18 06:07:33,231 INFO [main.py:798]
{rank 0/64} MD step = 72000 step time: 00:00:00.342236 Performance: 30.139 ns/day 0.796 hours/ns 1.744 steps/s 2024-05-18 06:07:39,581 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 72000 14400 70.407 -28439 7716.7 -36156 -36156 2.3274 -2.3726 -0.33792 1.3677e+05 2024-05-18 06:08:14,512 INFO [main.py:798]
{rank 0/64} MD step = 72100 step time: 00:00:00.361162 Performance: 30.150 ns/day 0.796 hours/ns 1.745 steps/s 2024-05-18 06:08:22,937 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 72100 14420 70.072 -28535 7680 -36215 -36215 2.3303 -2.3794 -0.3395 1.3697e+05 2024-05-18 06:08:57,845 INFO [main.py:798]
{rank 0/64} MD step = 72200 step time: 00:00:00.350010 Performance: 30.160 ns/day 0.796 hours/ns 1.745 steps/s 2024-05-18 06:09:04,371 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 72200 14440 69.483 -28523 7615.4 -36139 -36139 2.3315 -2.3839 -0.3397 1.3719e+05 2024-05-18 06:09:38,694 INFO [main.py:798]
{rank 0/64} MD step = 72300 step time: 00:00:00.349033 Performance: 30.172 ns/day 0.795 hours/ns 1.746 steps/s 2024-05-18 06:09:45,235 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 72300 14460 70.802 -28466 7760 -36226 -36226 2.3346 -2.3877 -0.33884 1.3735e+05 2024-05-18 06:10:19,702 INFO [main.py:798]
{rank 0/64} MD step = 72400 step time: 00:00:00.351954 Performance: 30.184 ns/day 0.795 hours/ns 1.747 steps/s 2024-05-18 06:10:26,642 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 72400 14480 69.747 -28543 7644.4 -36188 -36188 2.3388 -2.3932 -0.33914 1.3757e+05 2024-05-18 06:11:00,687 INFO [main.py:798]
{rank 0/64} MD step = 72500 step time: 00:00:00.348114 Performance: 30.196 ns/day 0.795 hours/ns 1.747 steps/s 2024-05-18 06:11:06,406 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 72500 14500 70 -28369 7672.1 -36041 -36041 2.3433 -2.3981 -0.33903 1.3778e+05 2024-05-18 06:11:41,553 INFO [main.py:798]
{rank 0/64} MD step = 72600 step time: 00:00:00.369703 Performance: 30.208 ns/day 0.794 hours/ns 1.748 steps/s 2024-05-18 06:11:46,937 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 72600 14520 70.173 -28069 7691 -35760 -35760 2.3457 -2.4032 -0.33891 1.3799e+05 2024-05-18 06:12:21,073 INFO [main.py:798]
{rank 0/64} MD step = 72700 step time: 00:00:00.349582 Performance: 30.221 ns/day 0.794 hours/ns 1.749 steps/s 2024-05-18 06:12:34,503 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 72700 14540 69.906 -28294 7661.8 -35955 -35955 2.3471 -2.407 -0.33975 1.382e+05 2024-05-18 06:13:10,860 INFO [main.py:798]
{rank 0/64} MD step = 72800 step time: 00:00:00.368215 Performance: 30.226 ns/day 0.794 hours/ns 1.749 steps/s 2024-05-18 06:13:17,256 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 72800 14560 70.498 -28424 7726.6 -36151 -36151 2.3527 -2.4101 -0.34097 1.3839e+05 2024-05-18 06:13:51,799 INFO [main.py:798]
{rank 0/64} MD step = 72900 step time: 00:00:00.355089 Performance: 30.238 ns/day 0.794 hours/ns 1.750 steps/s 2024-05-18 06:13:59,502 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 72900 14580 69.544 -28401 7622.1 -36023 -36023 2.3569 -2.414 -0.34204 1.3857e+05 2024-05-18 06:14:34,502 INFO [main.py:798]
{rank 0/64} MD step = 73000 step time: 00:00:00.376980 Performance: 30.248 ns/day 0.793 hours/ns 1.750 steps/s 2024-05-18 06:14:41,407 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 73000 14600 70.609 -28387 7738.8 -36126 -36126 2.3594 -2.4181 -0.34343 1.3879e+05 2024-05-18 06:15:15,470 INFO [main.py:798]
{rank 0/64} MD step = 73100 step time: 00:00:00.344093 Performance: 30.260 ns/day 0.793 hours/ns 1.751 steps/s 2024-05-18 06:15:21,940 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 73100 14620 71.674 -28291 7855.5 -36146 -36146 2.3653 -2.4214 -0.34335 1.3894e+05 2024-05-18 06:15:55,954 INFO [main.py:798]
{rank 0/64} MD step = 73200 step time: 00:00:00.346297 Performance: 30.272 ns/day 0.793 hours/ns 1.752 steps/s 2024-05-18 06:16:04,276 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 73200 14640 69.559 -28461 7623.8 -36085 -36085 2.3709 -2.4254 -0.34364 1.3912e+05 2024-05-18 06:16:38,632 INFO [main.py:798]
{rank 0/64} MD step = 73300 step time: 00:00:00.350674 Performance: 30.283 ns/day 0.793 hours/ns 1.752 steps/s 2024-05-18 06:16:46,819 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 73300 14660 70.224 -28246 7696.6 -35942 -35942 2.3733 -2.4309 -0.34611 1.3935e+05 2024-05-18 06:17:20,841 INFO [main.py:798]
{rank 0/64} MD step = 73400 step time: 00:00:00.342923 Performance: 30.293 ns/day 0.792 hours/ns 1.753 steps/s 2024-05-18 06:17:28,493 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 73400 14680 70.36 -28447 7711.5 -36158 -36158 2.3778 -2.4348 -0.34737 1.3953e+05 2024-05-18 06:18:03,013 INFO [main.py:798]
{rank 0/64} MD step = 73500 step time: 00:00:00.353982 Performance: 30.304 ns/day 0.792 hours/ns 1.754 steps/s 2024-05-18 06:18:11,300 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 73500 14700 70.235 -28315 7697.9 -36013 -36013 2.384 -2.439 -0.34762 1.3975e+05 2024-05-18 06:18:45,755 INFO [main.py:798]
{rank 0/64} MD step = 73600 step time: 00:00:00.351634 Performance: 30.314 ns/day 0.792 hours/ns 1.754 steps/s 2024-05-18 06:18:58,327 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 73600 14720 69.868 -28431 7657.6 -36088 -36088 2.3883 -2.4407 -0.34901 1.3991e+05 2024-05-18 06:19:37,249 INFO [main.py:798]
{rank 0/64} MD step = 73700 step time: 00:00:00.369287 Performance: 30.318 ns/day 0.792 hours/ns 1.755 steps/s 2024-05-18 06:19:46,175 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 73700 14740 69.753 -28327 7645 -35972 -35972 2.3945 -2.4439 -0.34998 1.4015e+05 2024-05-18 06:20:20,742 INFO [main.py:798]
{rank 0/64} MD step = 73800 step time: 00:00:00.327406 Performance: 30.328 ns/day 0.791 hours/ns 1.755 steps/s 2024-05-18 06:21:02,474 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 73800 14760 70.431 -28215 7719.3 -35934 -35934 2.3966 -2.4485 -0.35158 1.4032e+05 2024-05-18 06:21:37,280 INFO [main.py:798]
{rank 0/64} MD step = 73900 step time: 00:00:00.351300 Performance: 30.314 ns/day 0.792 hours/ns 1.754 steps/s 2024-05-18 06:21:48,082 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 73900 14780 69.481 -28444 7615.2 -36059 -36059 2.4006 -2.4531 -0.35118 1.4048e+05 2024-05-18 06:22:23,228 INFO [main.py:798]
{rank 0/64} MD step = 74000 step time: 00:00:00.350691 Performance: 30.322 ns/day 0.792 hours/ns 1.755 steps/s 2024-05-18 06:22:39,706 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 74000 14800 70.451 -28174 7721.6 -35895 -35895 2.4054 -2.457 -0.352 1.4067e+05 2024-05-18 06:23:14,431 INFO [main.py:798]
{rank 0/64} MD step = 74100 step time: 00:00:00.325942 Performance: 30.326 ns/day 0.791 hours/ns 1.755 steps/s 2024-05-18 06:23:24,664 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 74100 14820 69.509 -28491 7618.2 -36109 -36109 2.4069 -2.4623 -0.35219 1.4082e+05 2024-05-18 06:23:59,233 INFO [main.py:798]
{rank 0/64} MD step = 74200 step time: 00:00:00.329088 Performance: 30.335 ns/day 0.791 hours/ns 1.755 steps/s 2024-05-18 06:24:08,810 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 74200 14840 69.874 -28355 7658.2 -36013 -36013 2.4099 -2.4659 -0.35296 1.4098e+05 2024-05-18 06:24:43,305 INFO [main.py:798]
{rank 0/64} MD step = 74300 step time: 00:00:00.343245 Performance: 30.344 ns/day 0.791 hours/ns 1.756 steps/s 2024-05-18 06:24:54,602 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 74300 14860 70.573 -28104 7734.9 -35839 -35839 2.4143 -2.4712 -0.35419 1.412e+05 2024-05-18 06:25:31,552 INFO [main.py:798]
{rank 0/64} MD step = 74400 step time: 00:00:00.371346 Performance: 30.350 ns/day 0.791 hours/ns 1.756 steps/s 2024-05-18 06:25:38,422 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 74400 14880 69.534 -28354 7621 -35975 -35975 2.4188 -2.4767 -0.35465 1.4138e+05 2024-05-18 06:26:14,189 INFO [main.py:798]
{rank 0/64} MD step = 74500 step time: 00:00:00.348523 Performance: 30.361 ns/day 0.790 hours/ns 1.757 steps/s 2024-05-18 06:26:21,839 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 74500 14900 71.426 -28183 7828.3 -36011 -36011 2.423 -2.4801 -0.35555 1.4156e+05 2024-05-18 06:26:56,830 INFO [main.py:798]
{rank 0/64} MD step = 74600 step time: 00:00:00.354991 Performance: 30.371 ns/day 0.790 hours/ns 1.758 steps/s 2024-05-18 06:27:03,852 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 74600 14920 69.928 -28475 7664.2 -36139 -36139 2.4268 -2.4851 -0.35701 1.4171e+05 2024-05-18 06:27:38,319 INFO [main.py:798]
{rank 0/64} MD step = 74700 step time: 00:00:00.339246 Performance: 30.382 ns/day 0.790 hours/ns 1.758 steps/s 2024-05-18 06:27:48,373 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 74700 14940 69.649 -28540 7633.6 -36174 -36174 2.4308 -2.4878 -0.3567 1.4193e+05 2024-05-18 06:28:22,575 INFO [main.py:798]
{rank 0/64} MD step = 74800 step time: 00:00:00.343112 Performance: 30.391 ns/day 0.790 hours/ns 1.759 steps/s 2024-05-18 06:28:32,096 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 74800 14960 69.925 -28512 7663.9 -36176 -36176 2.4334 -2.4924 -0.35624 1.421e+05 2024-05-18 06:29:07,776 INFO [main.py:798]
{rank 0/64} MD step = 74900 step time: 00:00:00.350790 Performance: 30.399 ns/day 0.789 hours/ns 1.759 steps/s 2024-05-18 06:29:16,817 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 74900 14980 69.92 -28314 7663.4 -35977 -35977 2.438 -2.4946 -0.35556 1.4231e+05 2024-05-18 06:29:52,052 INFO [main.py:798]
{rank 0/64} MD step = 75000 step time: 00:00:00.357741 Performance: 30.408 ns/day 0.789 hours/ns 1.760 steps/s 2024-05-18 06:29:59,562 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 75000 15000 70.033 -28297 7675.7 -35973 -35973 2.4379 -2.497 -0.35515 1.4251e+05 2024-05-18 06:30:33,881 INFO [main.py:798]
{rank 0/64} MD step = 75100 step time: 00:00:00.333843 Performance: 30.419 ns/day 0.789 hours/ns 1.760 steps/s 2024-05-18 06:30:39,027 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 75100 15020 68.819 -28553 7542.6 -36096 -36096 2.4395 -2.5028 -0.355 1.4271e+05 2024-05-18 06:31:15,175 INFO [main.py:798]
{rank 0/64} MD step = 75200 step time: 00:00:00.338221 Performance: 30.430 ns/day 0.789 hours/ns 1.761 steps/s 2024-05-18 06:31:23,848 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 75200 15040 69.787 -28469 7648.8 -36118 -36118 2.443 -2.5077 -0.35568 1.429e+05 2024-05-18 06:31:58,190 INFO [main.py:798]
{rank 0/64} MD step = 75300 step time: 00:00:00.326368 Performance: 30.440 ns/day 0.788 hours/ns 1.762 steps/s 2024-05-18 06:32:04,720 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 75300 15060 70.525 -28324 7729.6 -36054 -36054 2.4459 -2.5113 -0.35562 1.431e+05 2024-05-18 06:32:38,862 INFO [main.py:798]
{rank 0/64} MD step = 75400 step time: 00:00:00.327238 Performance: 30.451 ns/day 0.788 hours/ns 1.762 steps/s 2024-05-18 06:32:52,923 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 75400 15080 69.395 -28538 7605.8 -36144 -36144 2.4499 -2.5162 -0.35629 1.4329e+05 2024-05-18 06:33:27,459 INFO [main.py:798]
{rank 0/64} MD step = 75500 step time: 00:00:00.349140 Performance: 30.457 ns/day 0.788 hours/ns 1.763 steps/s 2024-05-18 06:33:38,106 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 75500 15100 69.692 -28523 7638.4 -36162 -36162 2.4559 -2.5196 -0.35747 1.4344e+05 2024-05-18 06:34:12,969 INFO [main.py:798]
{rank 0/64} MD step = 75600 step time: 00:00:00.352707 Performance: 30.465 ns/day 0.788 hours/ns 1.763 steps/s 2024-05-18 06:34:32,911 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 75600 15120 70.748 -28530 7754.1 -36284 -36284 2.461 -2.5231 -0.35709 1.4364e+05 2024-05-18 06:35:06,792 INFO [main.py:798]
{rank 0/64} MD step = 75700 step time: 00:00:00.344639 Performance: 30.467 ns/day 0.788 hours/ns 1.763 steps/s 2024-05-18 06:35:15,990 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 75700 15140 69.523 -28549 7619.8 -36168 -36168 2.4623 -2.5278 -0.35854 1.4387e+05 2024-05-18 06:35:51,543 INFO [main.py:798]
{rank 0/64} MD step = 75800 step time: 00:00:00.350356 Performance: 30.475 ns/day 0.788 hours/ns 1.764 steps/s 2024-05-18 06:36:18,534 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 75800 15160 69.956 -28365 7667.3 -36032 -36032 2.4666 -2.533 -0.36029 1.4406e+05 2024-05-18 06:36:52,961 INFO [main.py:798]
{rank 0/64} MD step = 75900 step time: 00:00:00.349646 Performance: 30.472 ns/day 0.788 hours/ns 1.763 steps/s 2024-05-18 06:37:04,470 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 75900 15180 70.577 -28389 7735.3 -36125 -36125 2.4694 -2.5382 -0.36046 1.4422e+05 2024-05-18 06:37:39,461 INFO [main.py:798]
{rank 0/64} MD step = 76000 step time: 00:00:00.346965 Performance: 30.479 ns/day 0.787 hours/ns 1.764 steps/s 2024-05-18 06:37:51,490 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76000 15200 69.501 -28375 7617.4 -35993 -35993 2.4721 -2.5422 -0.36114 1.4439e+05 2024-05-18 06:38:26,021 INFO [main.py:798]
{rank 0/64} MD step = 76100 step time: 00:00:00.348720 Performance: 30.486 ns/day 0.787 hours/ns 1.764 steps/s 2024-05-18 06:38:41,264 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76100 15220 69.574 -28562 7625.4 -36188 -36188 2.4755 -2.5448 -0.36253 1.4454e+05 2024-05-18 06:39:15,584 INFO [main.py:798]
{rank 0/64} MD step = 76200 step time: 00:00:00.342855 Performance: 30.491 ns/day 0.787 hours/ns 1.765 steps/s 2024-05-18 06:39:24,602 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76200 15240 70.333 -28421 7708.6 -36130 -36130 2.479 -2.5493 -0.36403 1.4473e+05 2024-05-18 06:40:00,047 INFO [main.py:798]
{rank 0/64} MD step = 76300 step time: 00:00:00.378240 Performance: 30.500 ns/day 0.787 hours/ns 1.765 steps/s 2024-05-18 06:40:08,402 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76300 15260 69.998 -28497 7671.9 -36169 -36169 2.4815 -2.5527 -0.36589 1.4491e+05 2024-05-18 06:40:42,984 INFO [main.py:798]
{rank 0/64} MD step = 76400 step time: 00:00:00.327130 Performance: 30.510 ns/day 0.787 hours/ns 1.766 steps/s 2024-05-18 06:40:51,171 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76400 15280 69.295 -28618 7594.8 -36212 -36212 2.4841 -2.5572 -0.36615 1.4509e+05 2024-05-18 06:41:25,949 INFO [main.py:798]
{rank 0/64} MD step = 76500 step time: 00:00:00.326861 Performance: 30.519 ns/day 0.786 hours/ns 1.766 steps/s 2024-05-18 06:41:33,378 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76500 15300 70.732 -28236 7752.3 -35989 -35989 2.4885 -2.5594 -0.36808 1.4529e+05 2024-05-18 06:42:07,325 INFO [main.py:798]
{rank 0/64} MD step = 76600 step time: 00:00:00.348160 Performance: 30.530 ns/day 0.786 hours/ns 1.767 steps/s 2024-05-18 06:42:14,076 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76600 15320 70.258 -28288 7700.3 -35989 -35989 2.4914 -2.5627 -0.36999 1.4548e+05 2024-05-18 06:42:48,652 INFO [main.py:798]
{rank 0/64} MD step = 76700 step time: 00:00:00.333445 Performance: 30.541 ns/day 0.786 hours/ns 1.767 steps/s 2024-05-18 06:42:54,023 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76700 15340 69.843 -28282 7654.9 -35937 -35937 2.4952 -2.5672 -0.37073 1.4567e+05 2024-05-18 06:43:29,317 INFO [main.py:798]
{rank 0/64} MD step = 76800 step time: 00:00:00.356167 Performance: 30.552 ns/day 0.786 hours/ns 1.768 steps/s 2024-05-18 06:43:36,442 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76800 15360 69.442 -28365 7610.9 -35976 -35976 2.4985 -2.5716 -0.37099 1.4584e+05 2024-05-18 06:44:10,836 INFO [main.py:798]
{rank 0/64} MD step = 76900 step time: 00:00:00.348674 Performance: 30.563 ns/day 0.785 hours/ns 1.769 steps/s 2024-05-18 06:44:17,549 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76900 15380 70.193 -28295 7693.2 -35989 -35989 2.5019 -2.5749 -0.3724 1.4606e+05 2024-05-18 06:44:51,786 INFO [main.py:798]
{rank 0/64} MD step = 77000 step time: 00:00:00.353687 Performance: 30.574 ns/day 0.785 hours/ns 1.769 steps/s 2024-05-18 06:44:59,276 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77000 15400 70.065 -28321 7679.3 -36001 -36001 2.5051 -2.5805 -0.37294 1.4622e+05 2024-05-18 06:45:33,680 INFO [main.py:798]
{rank 0/64} MD step = 77100 step time: 00:00:00.348075 Performance: 30.584 ns/day 0.785 hours/ns 1.770 steps/s 2024-05-18 06:45:40,414 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77100 15420 70.808 -28347 7760.7 -36107 -36107 2.5093 -2.5843 -0.37297 1.464e+05 2024-05-18 06:46:14,796 INFO [main.py:798]
{rank 0/64} MD step = 77200 step time: 00:00:00.358918 Performance: 30.595 ns/day 0.784 hours/ns 1.771 steps/s 2024-05-18 06:46:21,331 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77200 15440 70.309 -28221 7706 -35927 -35927 2.515 -2.588 -0.37234 1.466e+05 2024-05-18 06:46:55,424 INFO [main.py:798]
{rank 0/64} MD step = 77300 step time: 00:00:00.345978 Performance: 30.606 ns/day 0.784 hours/ns 1.771 steps/s 2024-05-18 06:47:02,093 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77300 15460 70.276 -28243 7702.4 -35946 -35946 2.5187 -2.5935 -0.37337 1.4679e+05 2024-05-18 06:47:36,118 INFO [main.py:798]
{rank 0/64} MD step = 77400 step time: 00:00:00.333622 Performance: 30.617 ns/day 0.784 hours/ns 1.772 steps/s 2024-05-18 06:47:43,245 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77400 15480 70.119 -28370 7685.1 -36055 -36055 2.5212 -2.5967 -0.37263 1.4692e+05 2024-05-18 06:48:17,998 INFO [main.py:798]
{rank 0/64} MD step = 77500 step time: 00:00:00.336300 Performance: 30.627 ns/day 0.784 hours/ns 1.772 steps/s 2024-05-18 06:48:28,157 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77500 15500 70.044 -28304 7676.9 -35981 -35981 2.5236 -2.5994 -0.37443 1.4709e+05 2024-05-18 06:49:02,235 INFO [main.py:798]
{rank 0/64} MD step = 77600 step time: 00:00:00.341408 Performance: 30.635 ns/day 0.783 hours/ns 1.773 steps/s 2024-05-18 06:49:06,539 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77600 15520 70.219 -28298 7696.1 -35994 -35994 2.5269 -2.6022 -0.37488 1.4727e+05 2024-05-18 06:49:42,959 INFO [main.py:798]
{rank 0/64} MD step = 77700 step time: 00:00:00.349731 Performance: 30.646 ns/day 0.783 hours/ns 1.774 steps/s 2024-05-18 06:49:54,686 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77700 15540 69.585 -28332 7626.5 -35958 -35958 2.5299 -2.6063 -0.37503 1.4748e+05 2024-05-18 06:50:29,183 INFO [main.py:798]
{rank 0/64} MD step = 77800 step time: 00:00:00.354912 Performance: 30.654 ns/day 0.783 hours/ns 1.774 steps/s 2024-05-18 06:50:41,302 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77800 15560 69.685 -28373 7637.6 -36011 -36011 2.5367 -2.6107 -0.3765 1.4766e+05 2024-05-18 06:51:15,693 INFO [main.py:798]
{rank 0/64} MD step = 77900 step time: 00:00:00.342487 Performance: 30.660 ns/day 0.783 hours/ns 1.774 steps/s 2024-05-18 06:51:24,434 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77900 15580 70.46 -28370 7722.5 -36093 -36093 2.5396 -2.6141 -0.37644 1.4782e+05 2024-05-18 06:51:58,199 INFO [main.py:798]
{rank 0/64} MD step = 78000 step time: 00:00:00.339608 Performance: 30.670 ns/day 0.783 hours/ns 1.775 steps/s 2024-05-18 06:52:07,676 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 78000 15600 70.099 -28478 7683 -36161 -36161 2.5412 -2.6201 -0.37564 1.4803e+05 2024-05-18 06:52:42,531 INFO [main.py:798]
{rank 0/64} MD step = 78100 step time: 00:00:00.328276 Performance: 30.678 ns/day 0.782 hours/ns 1.775 steps/s 2024-05-18 06:52:52,706 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 78100 15620 70.014 -28411 7673.6 -36085 -36085 2.5441 -2.6244 -0.37527 1.4823e+05 2024-05-18 06:53:26,451 INFO [main.py:798]
{rank 0/64} MD step = 78200 step time: 00:00:00.350505 Performance: 30.687 ns/day 0.782 hours/ns 1.776 steps/s 2024-05-18 06:53:38,019 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 78200 15640 69.314 -28564 7596.9 -36161 -36161 2.5469 -2.628 -0.37492 1.4844e+05 2024-05-18 06:54:13,195 INFO [main.py:798]
{rank 0/64} MD step = 78300 step time: 00:00:00.358203 Performance: 30.694 ns/day 0.782 hours/ns 1.776 steps/s 2024-05-18 06:54:23,491 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 78300 15660 69.56 -28558 7623.9 -36182 -36182 2.5506 -2.6323 -0.37337 1.4862e+05 2024-05-18 06:54:58,452 INFO [main.py:798]
{rank 0/64} MD step = 78400 step time: 00:00:00.365679 Performance: 30.701 ns/day 0.782 hours/ns 1.777 steps/s 2024-05-18 06:55:05,373 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 78400 15680 69.244 -28604 7589.3 -36194 -36194 2.5553 -2.6381 -0.37248 1.488e+05 2024-05-18 06:55:40,465 INFO [main.py:798]
{rank 0/64} MD step = 78500 step time: 00:00:00.353819 Performance: 30.711 ns/day 0.781 hours/ns 1.777 steps/s 2024-05-18 06:55:46,220 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 78500 15700 68.784 -28677 7538.8 -36216 -36216 2.5585 -2.6436 -0.37123 1.4899e+05 2024-05-18 06:56:22,038 INFO [main.py:798]
{rank 0/64} MD step = 78600 step time: 00:00:00.350118 Performance: 30.722 ns/day 0.781 hours/ns 1.778 steps/s 2024-05-18 06:56:32,070 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 78600 15720 70.154 -28691 7689 -36380 -36380 2.5626 -2.6482 -0.37135 1.4912e+05 2024-05-18 06:57:06,498 INFO [main.py:798]
{rank 0/64} MD step = 78700 step time: 00:00:00.353145 Performance: 30.730 ns/day 0.781 hours/ns 1.778 steps/s 2024-05-18 06:57:14,166 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 78700 15740 70.136 -28464 7687 -36151 -36151 2.5658 -2.6515 -0.37175 1.4938e+05 2024-05-18 06:57:48,878 INFO [main.py:798]
{rank 0/64} MD step = 78800 step time: 00:00:00.351339 Performance: 30.739 ns/day 0.781 hours/ns 1.779 steps/s 2024-05-18 06:57:54,853 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 78800 15760 70.355 -28499 7711 -36210 -36210 2.5667 -2.6565 -0.37276 1.4958e+05 2024-05-18 06:58:30,934 INFO [main.py:798]
{rank 0/64} MD step = 78900 step time: 00:00:00.356093 Performance: 30.749 ns/day 0.781 hours/ns 1.779 steps/s 2024-05-18 06:58:37,618 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 78900 15780 71.182 -28438 7801.7 -36239 -36239 2.5702 -2.6619 -0.37335 1.4973e+05 2024-05-18 06:59:11,915 INFO [main.py:798]
{rank 0/64} MD step = 79000 step time: 00:00:00.335365 Performance: 30.760 ns/day 0.780 hours/ns 1.780 steps/s 2024-05-18 06:59:18,619 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79000 15800 71.041 -28452 7786.2 -36238 -36238 2.5733 -2.6694 -0.37409 1.499e+05 2024-05-18 06:59:53,019 INFO [main.py:798]
{rank 0/64} MD step = 79100 step time: 00:00:00.373931 Performance: 30.770 ns/day 0.780 hours/ns 1.781 steps/s 2024-05-18 06:59:59,672 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79100 15820 70.237 -28304 7698.1 -36002 -36002 2.5764 -2.675 -0.37356 1.501e+05 2024-05-18 07:00:33,985 INFO [main.py:798]
{rank 0/64} MD step = 79200 step time: 00:00:00.344606 Performance: 30.781 ns/day 0.780 hours/ns 1.781 steps/s 2024-05-18 07:00:42,130 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79200 15840 69.446 -28643 7611.4 -36254 -36254 2.5787 -2.6799 -0.37416 1.5026e+05 2024-05-18 07:01:16,761 INFO [main.py:798]
{rank 0/64} MD step = 79300 step time: 00:00:00.352020 Performance: 30.790 ns/day 0.779 hours/ns 1.782 steps/s 2024-05-18 07:01:26,090 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79300 15860 69.936 -28504 7665.1 -36170 -36170 2.5806 -2.6858 -0.37453 1.5047e+05 2024-05-18 07:02:01,901 INFO [main.py:798]
{rank 0/64} MD step = 79400 step time: 00:00:00.355743 Performance: 30.798 ns/day 0.779 hours/ns 1.782 steps/s 2024-05-18 07:02:12,841 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79400 15880 69.18 -28635 7582.2 -36218 -36218 2.5843 -2.69 -0.3743 1.5066e+05 2024-05-18 07:02:47,251 INFO [main.py:798]
{rank 0/64} MD step = 79500 step time: 00:00:00.326594 Performance: 30.805 ns/day 0.779 hours/ns 1.783 steps/s 2024-05-18 07:02:59,813 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79500 15900 69.335 -28647 7599.2 -36246 -36246 2.5868 -2.6949 -0.37549 1.5084e+05 2024-05-18 07:03:35,783 INFO [main.py:798]
{rank 0/64} MD step = 79600 step time: 00:00:00.350565 Performance: 30.810 ns/day 0.779 hours/ns 1.783 steps/s 2024-05-18 07:03:45,578 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79600 15920 69.891 -28652 7660.1 -36312 -36312 2.5886 -2.6995 -0.37657 1.5103e+05 2024-05-18 07:04:19,438 INFO [main.py:798]
{rank 0/64} MD step = 79700 step time: 00:00:00.331490 Performance: 30.819 ns/day 0.779 hours/ns 1.783 steps/s 2024-05-18 07:04:30,785 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79700 15940 70.541 -28389 7731.4 -36120 -36120 2.5893 -2.7032 -0.37692 1.5125e+05 2024-05-18 07:05:06,890 INFO [main.py:798]
{rank 0/64} MD step = 79800 step time: 00:00:00.366466 Performance: 30.825 ns/day 0.779 hours/ns 1.784 steps/s 2024-05-18 07:05:14,956 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79800 15960 69.201 -28707 7584.5 -36291 -36291 2.5931 -2.7071 -0.37665 1.5144e+05 2024-05-18 07:05:49,176 INFO [main.py:798]
{rank 0/64} MD step = 79900 step time: 00:00:00.346167 Performance: 30.834 ns/day 0.778 hours/ns 1.784 steps/s 2024-05-18 07:06:04,547 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79900 15980 69.882 -28504 7659.2 -36163 -36163 2.5971 -2.711 -0.37636 1.5164e+05 2024-05-18 07:06:38,942 INFO [main.py:798]
{rank 0/64} MD step = 80000 step time: 00:00:00.341411 Performance: 30.838 ns/day 0.778 hours/ns 1.785 steps/s 2024-05-18 07:06:49,909 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 80000 16000 69.591 -28604 7627.2 -36231 -36231 2.6034 -2.7167 -0.37655 1.5183e+05 2024-05-18 07:07:24,664 INFO [main.py:798]
{rank 0/64} MD step = 80100 step time: 00:00:00.348708 Performance: 30.846 ns/day 0.778 hours/ns 1.785 steps/s 2024-05-18 07:07:34,030 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 80100 16020 70.687 -28387 7747.4 -36135 -36135 2.6066 -2.7218 -0.37671 1.5203e+05 2024-05-18 07:08:10,718 INFO [main.py:798]
{rank 0/64} MD step = 80200 step time: 00:00:00.369575 Performance: 30.852 ns/day 0.778 hours/ns 1.785 steps/s 2024-05-18 07:08:22,398 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 80200 16040 70.838 -28361 7763.9 -36125 -36125 2.611 -2.7261 -0.37747 1.5225e+05 2024-05-18 07:08:56,994 INFO [main.py:798]
{rank 0/64} MD step = 80300 step time: 00:00:00.327184 Performance: 30.859 ns/day 0.778 hours/ns 1.786 steps/s 2024-05-18 07:09:07,011 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 80300 16060 70.126 -28484 7685.9 -36170 -36170 2.6153 -2.7311 -0.37844 1.5243e+05 2024-05-18 07:09:41,637 INFO [main.py:798]
{rank 0/64} MD step = 80400 step time: 00:00:00.326889 Performance: 30.867 ns/day 0.778 hours/ns 1.786 steps/s 2024-05-18 07:09:49,503 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 80400 16080 70.07 -28401 7679.8 -36081 -36081 2.6204 -2.736 -0.37818 1.5262e+05 2024-05-18 07:10:25,018 INFO [main.py:798]
{rank 0/64} MD step = 80500 step time: 00:00:00.351367 Performance: 30.876 ns/day 0.777 hours/ns 1.787 steps/s 2024-05-18 07:10:31,576 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 80500 16100 71.105 -28543 7793.2 -36336 -36336 2.6246 -2.7407 -0.37884 1.5275e+05 2024-05-18 07:11:06,237 INFO [main.py:798]
{rank 0/64} MD step = 80600 step time: 00:00:00.325749 Performance: 30.886 ns/day 0.777 hours/ns 1.787 steps/s 2024-05-18 07:11:14,117 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 80600 16120 69.358 -28669 7601.8 -36271 -36271 2.6256 -2.7444 -0.37934 1.5295e+05 2024-05-18 07:11:48,495 INFO [main.py:798]
{rank 0/64} MD step = 80700 step time: 00:00:00.348544 Performance: 30.895 ns/day 0.777 hours/ns 1.788 steps/s 2024-05-18 07:11:55,495 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 80700 16140 69.495 -28640 7616.7 -36257 -36257 2.6279 -2.7482 -0.37995 1.5317e+05 2024-05-18 07:12:31,491 INFO [main.py:798]
{rank 0/64} MD step = 80800 step time: 00:00:00.336953 Performance: 30.904 ns/day 0.777 hours/ns 1.788 steps/s 2024-05-18 07:12:40,017 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 80800 16160 69.427 -28754 7609.2 -36363 -36363 2.6326 -2.752 -0.37921 1.5335e+05 2024-05-18 07:13:14,886 INFO [main.py:798]
{rank 0/64} MD step = 80900 step time: 00:00:00.358700 Performance: 30.912 ns/day 0.776 hours/ns 1.789 steps/s 2024-05-18 07:13:23,102 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 80900 16180 70.527 -28662 7729.8 -36391 -36391 2.6356 -2.7563 -0.3781 1.5352e+05 2024-05-18 07:13:57,246 INFO [main.py:798]
{rank 0/64} MD step = 81000 step time: 00:00:00.357848 Performance: 30.922 ns/day 0.776 hours/ns 1.789 steps/s 2024-05-18 07:14:04,127 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 81000 16200 69.355 -28795 7601.4 -36396 -36396 2.639 -2.7597 -0.37888 1.5368e+05 2024-05-18 07:14:38,475 INFO [main.py:798]
{rank 0/64} MD step = 81100 step time: 00:00:00.348543 Performance: 30.932 ns/day 0.776 hours/ns 1.790 steps/s 2024-05-18 07:14:46,666 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 81100 16220 70.453 -28647 7721.7 -36369 -36369 2.6424 -2.7642 -0.3804 1.5388e+05 2024-05-18 07:15:20,953 INFO [main.py:798]
{rank 0/64} MD step = 81200 step time: 00:00:00.348535 Performance: 30.941 ns/day 0.776 hours/ns 1.791 steps/s 2024-05-18 07:15:25,904 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 81200 16240 69.765 -28718 7646.3 -36364 -36364 2.6463 -2.7673 -0.37897 1.5404e+05 2024-05-18 07:16:01,604 INFO [main.py:798]
{rank 0/64} MD step = 81300 step time: 00:00:00.355268 Performance: 30.951 ns/day 0.775 hours/ns 1.791 steps/s 2024-05-18 07:16:08,636 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 81300 16260 70.429 -28639 7719.1 -36359 -36359 2.6515 -2.7707 -0.37946 1.5424e+05 2024-05-18 07:16:45,091 INFO [main.py:798]
{rank 0/64} MD step = 81400 step time: 00:00:00.365992 Performance: 30.960 ns/day 0.775 hours/ns 1.792 steps/s 2024-05-18 07:16:55,600 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 81400 16280 69.017 -28741 7564.4 -36305 -36305 2.6532 -2.7743 -0.37972 1.5445e+05 2024-05-18 07:17:29,943 INFO [main.py:798]
{rank 0/64} MD step = 81500 step time: 00:00:00.344075 Performance: 30.967 ns/day 0.775 hours/ns 1.792 steps/s 2024-05-18 07:17:44,941 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 81500 16300 69.681 -28796 7637.2 -36433 -36433 2.6568 -2.7775 -0.37839 1.5461e+05 2024-05-18 07:18:19,290 INFO [main.py:798]
{rank 0/64} MD step = 81600 step time: 00:00:00.342539 Performance: 30.971 ns/day 0.775 hours/ns 1.792 steps/s 2024-05-18 07:18:28,298 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 81600 16320 70.097 -28676 7682.8 -36359 -36359 2.6577 -2.782 -0.37824 1.548e+05 2024-05-18 07:19:02,319 INFO [main.py:798]
{rank 0/64} MD step = 81700 step time: 00:00:00.347476 Performance: 30.980 ns/day 0.775 hours/ns 1.793 steps/s 2024-05-18 07:19:13,141 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 81700 16340 70.439 -28808 7720.2 -36528 -36528 2.6595 -2.7865 -0.37998 1.5497e+05 2024-05-18 07:19:48,672 INFO [main.py:798]
{rank 0/64} MD step = 81800 step time: 00:00:00.336901 Performance: 30.986 ns/day 0.775 hours/ns 1.793 steps/s 2024-05-18 07:20:05,995 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 81800 16360 69.596 -28729 7627.8 -36357 -36357 2.6631 -2.7898 -0.38076 1.5516e+05 2024-05-18 07:20:42,080 INFO [main.py:798]
{rank 0/64} MD step = 81900 step time: 00:00:00.348621 Performance: 30.988 ns/day 0.774 hours/ns 1.793 steps/s 2024-05-18 07:20:49,759 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 81900 16380 69.611 -28559 7629.4 -36189 -36189 2.6661 -2.7938 -0.38257 1.5534e+05 2024-05-18 07:21:24,883 INFO [main.py:798]
{rank 0/64} MD step = 82000 step time: 00:00:00.371542 Performance: 30.997 ns/day 0.774 hours/ns 1.794 steps/s 2024-05-18 07:21:44,160 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82000 16400 70.263 -28559 7700.9 -36260 -36260 2.672 -2.7985 -0.38505 1.5549e+05 2024-05-18 07:22:18,179 INFO [main.py:798]
{rank 0/64} MD step = 82100 step time: 00:00:00.338652 Performance: 30.998 ns/day 0.774 hours/ns 1.794 steps/s 2024-05-18 07:22:27,892 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82100 16420 69.945 -28583 7666.1 -36249 -36249 2.6763 -2.8029 -0.38528 1.5571e+05 2024-05-18 07:23:03,002 INFO [main.py:798]
{rank 0/64} MD step = 82200 step time: 00:00:00.352513 Performance: 31.006 ns/day 0.774 hours/ns 1.794 steps/s 2024-05-18 07:23:12,589 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82200 16440 69.455 -28616 7612.3 -36229 -36229 2.6805 -2.8091 -0.38537 1.5591e+05 2024-05-18 07:23:46,859 INFO [main.py:798]
{rank 0/64} MD step = 82300 step time: 00:00:00.349056 Performance: 31.014 ns/day 0.774 hours/ns 1.795 steps/s 2024-05-18 07:24:00,925 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82300 16460 69.971 -28423 7668.9 -36091 -36091 2.6825 -2.8148 -0.3868 1.5612e+05 2024-05-18 07:24:35,073 INFO [main.py:798]
{rank 0/64} MD step = 82400 step time: 00:00:00.356681 Performance: 31.019 ns/day 0.774 hours/ns 1.795 steps/s 2024-05-18 07:24:42,871 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82400 16480 70.226 -28386 7696.8 -36083 -36083 2.6875 -2.8204 -0.38839 1.5631e+05 2024-05-18 07:25:17,969 INFO [main.py:798]
{rank 0/64} MD step = 82500 step time: 00:00:00.351223 Performance: 31.028 ns/day 0.774 hours/ns 1.796 steps/s 2024-05-18 07:25:25,185 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82500 16500 69.923 -28660 7663.6 -36324 -36324 2.6904 -2.8258 -0.38955 1.5647e+05 2024-05-18 07:26:00,349 INFO [main.py:798]
{rank 0/64} MD step = 82600 step time: 00:00:00.355173 Performance: 31.037 ns/day 0.773 hours/ns 1.796 steps/s 2024-05-18 07:26:08,284 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82600 16520 69.332 -28569 7598.8 -36167 -36167 2.6938 -2.831 -0.39073 1.567e+05 2024-05-18 07:26:43,260 INFO [main.py:798]
{rank 0/64} MD step = 82700 step time: 00:00:00.371426 Performance: 31.045 ns/day 0.773 hours/ns 1.797 steps/s 2024-05-18 07:27:04,491 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82700 16540 69.861 -28427 7656.8 -36083 -36083 2.6977 -2.8354 -0.3916 1.5691e+05 2024-05-18 07:27:39,226 INFO [main.py:798]
{rank 0/64} MD step = 82800 step time: 00:00:00.350432 Performance: 31.045 ns/day 0.773 hours/ns 1.797 steps/s 2024-05-18 07:27:57,662 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82800 16560 70.089 -28474 7681.8 -36156 -36156 2.7006 -2.8401 -0.39069 1.571e+05 2024-05-18 07:28:32,016 INFO [main.py:798]
{rank 0/64} MD step = 82900 step time: 00:00:00.353289 Performance: 31.047 ns/day 0.773 hours/ns 1.797 steps/s 2024-05-18 07:28:42,711 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82900 16580 69.996 -28512 7671.7 -36184 -36184 2.7021 -2.8438 -0.39001 1.5727e+05 2024-05-18 07:29:16,857 INFO [main.py:798]
{rank 0/64} MD step = 83000 step time: 00:00:00.341972 Performance: 31.054 ns/day 0.773 hours/ns 1.797 steps/s 2024-05-18 07:29:28,415 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 83000 16600 70.228 -28292 7697 -35989 -35989 2.7043 -2.8481 -0.39104 1.5745e+05 2024-05-18 07:30:02,619 INFO [main.py:798]
{rank 0/64} MD step = 83100 step time: 00:00:00.349373 Performance: 31.061 ns/day 0.773 hours/ns 1.798 steps/s 2024-05-18 07:30:15,160 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 83100 16620 70.544 -28229 7731.8 -35961 -35961 2.7066 -2.8538 -0.39343 1.5764e+05 2024-05-18 07:30:50,968 INFO [main.py:798]
{rank 0/64} MD step = 83200 step time: 00:00:00.339539 Performance: 31.066 ns/day 0.773 hours/ns 1.798 steps/s 2024-05-18 07:31:32,045 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 83200 16640 70.321 -28503 7707.2 -36210 -36210 2.7106 -2.8595 -0.39351 1.5778e+05 2024-05-18 07:32:06,879 INFO [main.py:798]
{rank 0/64} MD step = 83300 step time: 00:00:00.352586 Performance: 31.052 ns/day 0.773 hours/ns 1.797 steps/s 2024-05-18 07:32:15,603 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 83300 16660 70.862 -28268 7766.6 -36034 -36034 2.7135 -2.8626 -0.39341 1.5801e+05 2024-05-18 07:32:49,850 INFO [main.py:798]
{rank 0/64} MD step = 83400 step time: 00:00:00.349245 Performance: 31.061 ns/day 0.773 hours/ns 1.797 steps/s 2024-05-18 07:32:56,028 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 83400 16680 70.582 -28418 7735.9 -36154 -36154 2.7159 -2.868 -0.39326 1.5822e+05 2024-05-18 07:33:29,682 INFO [main.py:798]
{rank 0/64} MD step = 83500 step time: 00:00:00.325687 Performance: 31.071 ns/day 0.772 hours/ns 1.798 steps/s 2024-05-18 07:33:53,283 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 83500 16700 70.896 -28341 7770.3 -36111 -36111 2.719 -2.8728 -0.39496 1.5838e+05 2024-05-18 07:34:27,798 INFO [main.py:798]
{rank 0/64} MD step = 83600 step time: 00:00:00.347447 Performance: 31.070 ns/day 0.772 hours/ns 1.798 steps/s 2024-05-18 07:34:35,336 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 83600 16720 70.197 -28397 7693.7 -36090 -36090 2.7213 -2.8781 -0.39573 1.5861e+05 2024-05-18 07:35:09,288 INFO [main.py:798]
{rank 0/64} MD step = 83700 step time: 00:00:00.327084 Performance: 31.079 ns/day 0.772 hours/ns 1.799 steps/s 2024-05-18 07:35:18,074 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 83700 16740 70.357 -28547 7711.2 -36258 -36258 2.725 -2.8823 -0.39572 1.5875e+05 2024-05-18 07:35:53,622 INFO [main.py:798]
{rank 0/64} MD step = 83800 step time: 00:00:00.326257 Performance: 31.086 ns/day 0.772 hours/ns 1.799 steps/s 2024-05-18 07:36:02,495 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 83800 16760 69.62 -28534 7630.4 -36164 -36164 2.7295 -2.8868 -0.39743 1.5896e+05 2024-05-18 07:36:37,281 INFO [main.py:798]
{rank 0/64} MD step = 83900 step time: 00:00:00.325144 Performance: 31.094 ns/day 0.772 hours/ns 1.799 steps/s 2024-05-18 07:37:08,471 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 83900 16780 70.589 -28365 7736.7 -36102 -36102 2.7342 -2.8899 -0.39801 1.5919e+05 2024-05-18 07:37:43,759 INFO [main.py:798]
{rank 0/64} MD step = 84000 step time: 00:00:00.347863 Performance: 31.087 ns/day 0.772 hours/ns 1.799 steps/s 2024-05-18 07:37:54,641 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84000 16800 70.935 -28267 7774.6 -36042 -36042 2.7362 -2.8925 -0.3972 1.5938e+05 2024-05-18 07:38:29,022 INFO [main.py:798]
{rank 0/64} MD step = 84100 step time: 00:00:00.351381 Performance: 31.094 ns/day 0.772 hours/ns 1.799 steps/s 2024-05-18 07:38:45,784 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84100 16820 70.882 -28394 7768.8 -36163 -36163 2.7394 -2.8975 -0.39907 1.5959e+05 2024-05-18 07:39:20,691 INFO [main.py:798]
{rank 0/64} MD step = 84200 step time: 00:00:00.349038 Performance: 31.097 ns/day 0.772 hours/ns 1.800 steps/s 2024-05-18 07:39:36,310 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84200 16840 69.792 -28454 7649.3 -36103 -36103 2.7408 -2.901 -0.39977 1.5978e+05 2024-05-18 07:40:12,614 INFO [main.py:798]
{rank 0/64} MD step = 84300 step time: 00:00:00.350463 Performance: 31.099 ns/day 0.772 hours/ns 1.800 steps/s 2024-05-18 07:40:21,748 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84300 16860 69.604 -28492 7628.6 -36121 -36121 2.7433 -2.9058 -0.39979 1.5998e+05 2024-05-18 07:40:57,892 INFO [main.py:798]
{rank 0/64} MD step = 84400 step time: 00:00:00.326725 Performance: 31.106 ns/day 0.772 hours/ns 1.800 steps/s 2024-05-18 07:41:07,206 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84400 16880 69.976 -28418 7669.5 -36088 -36088 2.746 -2.9108 -0.39868 1.6019e+05 2024-05-18 07:41:43,485 INFO [main.py:798]
{rank 0/64} MD step = 84500 step time: 00:00:00.347918 Performance: 31.112 ns/day 0.771 hours/ns 1.800 steps/s 2024-05-18 07:41:52,367 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84500 16900 69.684 -28381 7637.5 -36018 -36018 2.749 -2.9152 -0.40044 1.6039e+05 2024-05-18 07:42:26,718 INFO [main.py:798]
{rank 0/64} MD step = 84600 step time: 00:00:00.358144 Performance: 31.121 ns/day 0.771 hours/ns 1.801 steps/s 2024-05-18 07:42:35,491 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84600 16920 69.615 -28536 7629.9 -36166 -36166 2.7541 -2.9206 -0.4004 1.6057e+05 2024-05-18 07:43:10,495 INFO [main.py:798]
{rank 0/64} MD step = 84700 step time: 00:00:00.350371 Performance: 31.128 ns/day 0.771 hours/ns 1.801 steps/s 2024-05-18 07:43:20,410 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84700 16940 68.917 -28605 7553.4 -36159 -36159 2.7586 -2.925 -0.40277 1.6076e+05 2024-05-18 07:43:54,562 INFO [main.py:798]
{rank 0/64} MD step = 84800 step time: 00:00:00.339350 Performance: 31.136 ns/day 0.771 hours/ns 1.802 steps/s 2024-05-18 07:44:04,584 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84800 16960 70.302 -28438 7705.1 -36143 -36143 2.7613 -2.9294 -0.40454 1.6096e+05 2024-05-18 07:44:38,855 INFO [main.py:798]
{rank 0/64} MD step = 84900 step time: 00:00:00.354185 Performance: 31.143 ns/day 0.771 hours/ns 1.802 steps/s 2024-05-18 07:44:46,575 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84900 16980 70.167 -28395 7690.4 -36085 -36085 2.7643 -2.9331 -0.40523 1.6113e+05 2024-05-18 07:45:20,686 INFO [main.py:798]
{rank 0/64} MD step = 85000 step time: 00:00:00.336448 Performance: 31.152 ns/day 0.770 hours/ns 1.803 steps/s 2024-05-18 07:45:28,054 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 85000 17000 70.178 -28353 7691.6 -36045 -36045 2.7666 -2.9379 -0.40629 1.6133e+05 2024-05-18 07:46:03,137 INFO [main.py:798]
{rank 0/64} MD step = 85100 step time: 00:00:00.359761 Performance: 31.161 ns/day 0.770 hours/ns 1.803 steps/s 2024-05-18 07:46:09,614 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 85100 17020 70.592 -28403 7737 -36140 -36140 2.7717 -2.942 -0.40678 1.6154e+05 2024-05-18 07:46:45,850 INFO [main.py:798]
{rank 0/64} MD step = 85200 step time: 00:00:00.352662 Performance: 31.169 ns/day 0.770 hours/ns 1.804 steps/s 2024-05-18 07:46:53,783 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 85200 17040 69.373 -28470 7603.4 -36074 -36074 2.7745 -2.9464 -0.40848 1.6172e+05 2024-05-18 07:47:26,983 INFO [main.py:798]
{rank 0/64} MD step = 85300 step time: 00:00:00.325689 Performance: 31.179 ns/day 0.770 hours/ns 1.804 steps/s 2024-05-18 07:47:34,321 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 85300 17060 69.56 -28466 7623.9 -36090 -36090 2.7783 -2.9503 -0.40795 1.6192e+05 2024-05-18 07:48:10,505 INFO [main.py:798]
{rank 0/64} MD step = 85400 step time: 00:00:00.376235 Performance: 31.187 ns/day 0.770 hours/ns 1.805 steps/s 2024-05-18 07:48:17,713 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 85400 17080 70.045 -28422 7677.1 -36099 -36099 2.7818 -2.9565 -0.40831 1.6208e+05 2024-05-18 07:48:52,410 INFO [main.py:798]
{rank 0/64} MD step = 85500 step time: 00:00:00.345499 Performance: 31.196 ns/day 0.769 hours/ns 1.805 steps/s 2024-05-18 07:48:58,549 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 85500 17100 69.633 -28558 7631.9 -36189 -36189 2.7836 -2.9608 -0.40987 1.6224e+05 2024-05-18 07:49:35,970 INFO [main.py:798]
{rank 0/64} MD step = 85600 step time: 00:00:00.330363 Performance: 31.203 ns/day 0.769 hours/ns 1.806 steps/s 2024-05-18 07:49:47,771 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 85600 17120 70.547 -28314 7732 -36046 -36046 2.7868 -2.9634 -0.41016 1.6246e+05 2024-05-18 07:50:22,211 INFO [main.py:798]
{rank 0/64} MD step = 85700 step time: 00:00:00.331045 Performance: 31.209 ns/day 0.769 hours/ns 1.806 steps/s 2024-05-18 07:50:35,280 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 85700 17140 70.297 -28574 7704.7 -36279 -36279 2.7886 -2.9683 -0.41053 1.6259e+05 2024-05-18 07:51:10,356 INFO [main.py:798]
{rank 0/64} MD step = 85800 step time: 00:00:00.346183 Performance: 31.214 ns/day 0.769 hours/ns 1.806 steps/s 2024-05-18 07:51:25,189 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 85800 17160 70.27 -28400 7701.7 -36102 -36102 2.7912 -2.9721 -0.41082 1.6282e+05 2024-05-18 07:52:00,352 INFO [main.py:798]
{rank 0/64} MD step = 85900 step time: 00:00:00.349491 Performance: 31.218 ns/day 0.769 hours/ns 1.807 steps/s 2024-05-18 07:52:18,569 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 85900 17180 70.158 -28372 7689.4 -36061 -36061 2.7945 -2.977 -0.41108 1.6299e+05 2024-05-18 07:52:53,989 INFO [main.py:798]
{rank 0/64} MD step = 86000 step time: 00:00:00.346331 Performance: 31.219 ns/day 0.769 hours/ns 1.807 steps/s 2024-05-18 07:53:03,221 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86000 17200 71.392 -28262 7824.7 -36087 -36087 2.797 -2.9815 -0.41154 1.6318e+05 2024-05-18 07:53:39,214 INFO [main.py:798]
{rank 0/64} MD step = 86100 step time: 00:00:00.365820 Performance: 31.225 ns/day 0.769 hours/ns 1.807 steps/s 2024-05-18 07:53:49,354 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86100 17220 69.78 -28455 7648 -36103 -36103 2.7982 -2.9863 -0.41005 1.6334e+05 2024-05-18 07:54:23,953 INFO [main.py:798]
{rank 0/64} MD step = 86200 step time: 00:00:00.338885 Performance: 31.232 ns/day 0.768 hours/ns 1.807 steps/s 2024-05-18 07:54:30,362 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86200 17240 69.702 -28439 7639.4 -36079 -36079 2.801 -2.9908 -0.41037 1.6351e+05 2024-05-18 07:55:04,704 INFO [main.py:798]
{rank 0/64} MD step = 86300 step time: 00:00:00.347186 Performance: 31.242 ns/day 0.768 hours/ns 1.808 steps/s 2024-05-18 07:55:11,263 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86300 17260 70.163 -28437 7690 -36127 -36127 2.8048 -2.9947 -0.41082 1.6372e+05 2024-05-18 07:55:46,604 INFO [main.py:798]
{rank 0/64} MD step = 86400 step time: 00:00:00.379000 Performance: 31.251 ns/day 0.768 hours/ns 1.808 steps/s 2024-05-18 07:55:52,802 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86400 17280 69.861 -28418 7656.9 -36075 -36075 2.8079 -2.9998 -0.41068 1.6392e+05 2024-05-18 07:56:27,116 INFO [main.py:798]
{rank 0/64} MD step = 86500 step time: 00:00:00.342246 Performance: 31.260 ns/day 0.768 hours/ns 1.809 steps/s 2024-05-18 07:56:35,987 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86500 17300 70.223 -28412 7696.5 -36108 -36108 2.8107 -3.0067 -0.41028 1.6411e+05 2024-05-18 07:57:10,601 INFO [main.py:798]
{rank 0/64} MD step = 86600 step time: 00:00:00.350830 Performance: 31.268 ns/day 0.768 hours/ns 1.809 steps/s 2024-05-18 07:57:25,902 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86600 17320 69.156 -28664 7579.6 -36244 -36244 2.8125 -3.0113 -0.40884 1.6428e+05 2024-05-18 07:57:59,770 INFO [main.py:798]
{rank 0/64} MD step = 86700 step time: 00:00:00.325655 Performance: 31.272 ns/day 0.767 hours/ns 1.810 steps/s 2024-05-18 07:58:11,453 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86700 17340 70.743 -28285 7753.5 -36039 -36039 2.815 -3.0158 -0.40774 1.6451e+05 2024-05-18 07:58:45,256 INFO [main.py:798]
{rank 0/64} MD step = 86800 step time: 00:00:00.348144 Performance: 31.278 ns/day 0.767 hours/ns 1.810 steps/s 2024-05-18 07:58:56,788 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86800 17360 69.96 -28433 7667.7 -36101 -36101 2.8183 -3.018 -0.40753 1.6473e+05 2024-05-18 07:59:31,446 INFO [main.py:798]
{rank 0/64} MD step = 86900 step time: 00:00:00.351882 Performance: 31.284 ns/day 0.767 hours/ns 1.810 steps/s 2024-05-18 07:59:43,551 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86900 17380 70.747 -28315 7754 -36069 -36069 2.8222 -3.0216 -0.4081 1.6492e+05 2024-05-18 08:00:18,048 INFO [main.py:798]
{rank 0/64} MD step = 87000 step time: 00:00:00.345696 Performance: 31.290 ns/day 0.767 hours/ns 1.811 steps/s 2024-05-18 08:00:29,886 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87000 17400 68.754 -28322 7535.5 -35858 -35858 2.8277 -3.0277 -0.40835 1.6514e+05 2024-05-18 08:01:04,606 INFO [main.py:798]
{rank 0/64} MD step = 87100 step time: 00:00:00.344000 Performance: 31.296 ns/day 0.767 hours/ns 1.811 steps/s 2024-05-18 08:01:12,946 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87100 17420 70.861 -28238 7766.4 -36005 -36005 2.8303 -3.0322 -0.40804 1.6536e+05 2024-05-18 08:01:47,264 INFO [main.py:798]
{rank 0/64} MD step = 87200 step time: 00:00:00.373777 Performance: 31.304 ns/day 0.767 hours/ns 1.812 steps/s 2024-05-18 08:01:57,007 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87200 17440 69.878 -28396 7658.7 -36054 -36054 2.8332 -3.0378 -0.40942 1.6554e+05 2024-05-18 08:02:32,559 INFO [main.py:798]
{rank 0/64} MD step = 87300 step time: 00:00:00.373165 Performance: 31.310 ns/day 0.767 hours/ns 1.812 steps/s 2024-05-18 08:02:40,766 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87300 17460 70.216 -28350 7695.8 -36046 -36046 2.8366 -3.0423 -0.41035 1.6577e+05 2024-05-18 08:03:15,231 INFO [main.py:798]
{rank 0/64} MD step = 87400 step time: 00:00:00.347735 Performance: 31.318 ns/day 0.766 hours/ns 1.812 steps/s 2024-05-18 08:03:19,977 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87400 17480 70.321 -28237 7707.3 -35944 -35944 2.8399 -3.046 -0.41059 1.6596e+05 2024-05-18 08:03:56,053 INFO [main.py:798]
{rank 0/64} MD step = 87500 step time: 00:00:00.354524 Performance: 31.328 ns/day 0.766 hours/ns 1.813 steps/s 2024-05-18 08:04:03,423 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87500 17500 70.164 -28211 7690 -35901 -35901 2.842 -3.0505 -0.40993 1.6617e+05 2024-05-18 08:04:37,999 INFO [main.py:798]
{rank 0/64} MD step = 87600 step time: 00:00:00.371588 Performance: 31.336 ns/day 0.766 hours/ns 1.813 steps/s 2024-05-18 08:04:45,503 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87600 17520 69.945 -28336 7666.1 -36002 -36002 2.8437 -3.055 -0.41071 1.6631e+05 2024-05-18 08:05:19,549 INFO [main.py:798]
{rank 0/64} MD step = 87700 step time: 00:00:00.354246 Performance: 31.345 ns/day 0.766 hours/ns 1.814 steps/s 2024-05-18 08:05:28,717 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87700 17540 69.4 -28453 7606.3 -36059 -36059 2.8475 -3.059 -0.4108 1.6652e+05 2024-05-18 08:06:03,721 INFO [main.py:798]
{rank 0/64} MD step = 87800 step time: 00:00:00.352501 Performance: 31.352 ns/day 0.766 hours/ns 1.814 steps/s 2024-05-18 08:06:12,077 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87800 17560 70.055 -28484 7678.1 -36162 -36162 2.8516 -3.0636 -0.41137 1.6664e+05 2024-05-18 08:06:46,332 INFO [main.py:798]
{rank 0/64} MD step = 87900 step time: 00:00:00.361919 Performance: 31.360 ns/day 0.765 hours/ns 1.815 steps/s 2024-05-18 08:06:56,993 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87900 17580 69.609 -28329 7629.3 -35958 -35958 2.8564 -3.0676 -0.41151 1.6686e+05 2024-05-18 08:07:38,501 INFO [main.py:798]
{rank 0/64} MD step = 88000 step time: 00:00:00.341328 Performance: 31.362 ns/day 0.765 hours/ns 1.815 steps/s 2024-05-18 08:07:50,106 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88000 17600 70.505 -28157 7727.4 -35884 -35884 2.859 -3.0722 -0.41132 1.6705e+05 2024-05-18 08:08:24,692 INFO [main.py:798]
{rank 0/64} MD step = 88100 step time: 00:00:00.330301 Performance: 31.368 ns/day 0.765 hours/ns 1.815 steps/s 2024-05-18 08:08:39,731 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88100 17620 69.341 -28545 7599.9 -36145 -36145 2.8638 -3.0778 -0.41071 1.6725e+05 2024-05-18 08:09:14,120 INFO [main.py:798]
{rank 0/64} MD step = 88200 step time: 00:00:00.352618 Performance: 31.371 ns/day 0.765 hours/ns 1.815 steps/s 2024-05-18 08:09:28,953 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88200 17640 69.66 -28423 7634.9 -36058 -36058 2.8693 -3.0828 -0.41309 1.6742e+05 2024-05-18 08:10:02,931 INFO [main.py:798]
{rank 0/64} MD step = 88300 step time: 00:00:00.349442 Performance: 31.375 ns/day 0.765 hours/ns 1.816 steps/s 2024-05-18 08:10:15,632 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88300 17660 69.474 -28510 7614.5 -36124 -36124 2.8739 -3.0878 -0.41393 1.6759e+05 2024-05-18 08:10:50,464 INFO [main.py:798]
{rank 0/64} MD step = 88400 step time: 00:00:00.346956 Performance: 31.380 ns/day 0.765 hours/ns 1.816 steps/s 2024-05-18 08:10:58,640 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88400 17680 69.425 -28469 7609 -36078 -36078 2.8773 -3.0936 -0.4136 1.6775e+05 2024-05-18 08:11:34,626 INFO [main.py:798]
{rank 0/64} MD step = 88500 step time: 00:00:00.366719 Performance: 31.387 ns/day 0.765 hours/ns 1.816 steps/s 2024-05-18 08:11:42,185 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88500 17700 69.755 -28559 7645.3 -36205 -36205 2.8814 -3.0974 -0.41473 1.6791e+05 2024-05-18 08:12:16,500 INFO [main.py:798]
{rank 0/64} MD step = 88600 step time: 00:00:00.337901 Performance: 31.396 ns/day 0.764 hours/ns 1.817 steps/s 2024-05-18 08:12:23,460 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88600 17720 69.404 -28475 7606.8 -36081 -36081 2.8854 -3.1018 -0.415 1.681e+05 2024-05-18 08:12:58,630 INFO [main.py:798]
{rank 0/64} MD step = 88700 step time: 00:00:00.350942 Performance: 31.404 ns/day 0.764 hours/ns 1.817 steps/s 2024-05-18 08:13:04,724 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88700 17740 69.746 -28551 7644.2 -36196 -36196 2.8907 -3.1062 -0.41606 1.683e+05 2024-05-18 08:13:41,030 INFO [main.py:798]
{rank 0/64} MD step = 88800 step time: 00:00:00.333118 Performance: 31.412 ns/day 0.764 hours/ns 1.818 steps/s 2024-05-18 08:13:48,636 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88800 17760 69.861 -28428 7656.9 -36085 -36085 2.8933 -3.1105 -0.41507 1.6854e+05 2024-05-18 08:14:23,014 INFO [main.py:798]
{rank 0/64} MD step = 88900 step time: 00:00:00.344097 Performance: 31.421 ns/day 0.764 hours/ns 1.818 steps/s 2024-05-18 08:14:31,026 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88900 17780 69.965 -28284 7668.2 -35952 -35952 2.8985 -3.1152 -0.41553 1.6873e+05 2024-05-18 08:15:06,754 INFO [main.py:798]
{rank 0/64} MD step = 89000 step time: 00:00:00.375993 Performance: 31.428 ns/day 0.764 hours/ns 1.819 steps/s 2024-05-18 08:15:22,339 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 89000 17800 69.569 -28340 7624.8 -35965 -35965 2.9021 -3.1185 -0.4158 1.6887e+05 2024-05-18 08:15:58,956 INFO [main.py:798]
{rank 0/64} MD step = 89100 step time: 00:00:00.331388 Performance: 31.430 ns/day 0.764 hours/ns 1.819 steps/s 2024-05-18 08:16:05,104 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 89100 17820 69.829 -28334 7653.4 -35988 -35988 2.9079 -3.1231 -0.4183 1.6904e+05 2024-05-18 08:16:39,560 INFO [main.py:798]
{rank 0/64} MD step = 89200 step time: 00:00:00.341932 Performance: 31.439 ns/day 0.763 hours/ns 1.819 steps/s 2024-05-18 08:16:45,743 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 89200 17840 70.467 -28606 7723.3 -36329 -36329 2.913 -3.128 -0.41888 1.6915e+05 2024-05-18 08:17:20,102 INFO [main.py:798]
{rank 0/64} MD step = 89300 step time: 00:00:00.327060 Performance: 31.448 ns/day 0.763 hours/ns 1.820 steps/s 2024-05-18 08:17:27,454 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 89300 17860 70.09 -28583 7682 -36265 -36265 2.9178 -3.1327 -0.41941 1.6935e+05 2024-05-18 08:18:03,471 INFO [main.py:798]
{rank 0/64} MD step = 89400 step time: 00:00:00.354166 Performance: 31.456 ns/day 0.763 hours/ns 1.820 steps/s 2024-05-18 08:18:13,016 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 89400 17880 70.274 -28607 7702.1 -36309 -36309 2.9217 -3.1372 -0.41938 1.6954e+05 2024-05-18 08:18:49,116 INFO [main.py:798]
{rank 0/64} MD step = 89500 step time: 00:00:00.346019 Performance: 31.461 ns/day 0.763 hours/ns 1.821 steps/s 2024-05-18 08:18:54,306 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 89500 17900 69.724 -28455 7641.8 -36097 -36097 2.9231 -3.1428 -0.41983 1.6978e+05 2024-05-18 08:19:29,495 INFO [main.py:798]
{rank 0/64} MD step = 89600 step time: 00:00:00.326519 Performance: 31.471 ns/day 0.763 hours/ns 1.821 steps/s 2024-05-18 08:19:39,189 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 89600 17920 70.04 -28389 7676.5 -36066 -36066 2.9279 -3.1471 -0.41995 1.6997e+05 2024-05-18 08:20:13,606 INFO [main.py:798]
{rank 0/64} MD step = 89700 step time: 00:00:00.325387 Performance: 31.478 ns/day 0.762 hours/ns 1.822 steps/s 2024-05-18 08:20:19,848 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 89700 17940 70.406 -28405 7716.5 -36121 -36121 2.9311 -3.1527 -0.42037 1.7014e+05 2024-05-18 08:20:55,710 INFO [main.py:798]
{rank 0/64} MD step = 89800 step time: 00:00:00.326841 Performance: 31.486 ns/day 0.762 hours/ns 1.822 steps/s 2024-05-18 08:21:05,414 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 89800 17960 70.009 -28428 7673.1 -36101 -36101 2.9328 -3.1569 -0.42101 1.7031e+05 2024-05-18 08:21:40,098 INFO [main.py:798]
{rank 0/64} MD step = 89900 step time: 00:00:00.405163 Performance: 31.493 ns/day 0.762 hours/ns 1.822 steps/s 2024-05-18 08:21:54,411 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 89900 17980 69.803 -28321 7650.5 -35971 -35971 2.9343 -3.1624 -0.42168 1.7052e+05 2024-05-18 08:22:29,688 INFO [main.py:798]
{rank 0/64} MD step = 90000 step time: 00:00:00.356650 Performance: 31.496 ns/day 0.762 hours/ns 1.823 steps/s 2024-05-18 08:22:45,650 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90000 18000 69.36 -28436 7602 -36038 -36038 2.9386 -3.1656 -0.42296 1.7067e+05 2024-05-18 08:23:20,097 INFO [main.py:798]
{rank 0/64} MD step = 90100 step time: 00:00:00.370546 Performance: 31.499 ns/day 0.762 hours/ns 1.823 steps/s 2024-05-18 08:23:31,878 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90100 18020 69.011 -28377 7563.7 -35941 -35941 2.9447 -3.1706 -0.42418 1.7086e+05 2024-05-18 08:24:07,470 INFO [main.py:798]
{rank 0/64} MD step = 90200 step time: 00:00:00.348098 Performance: 31.503 ns/day 0.762 hours/ns 1.823 steps/s 2024-05-18 08:24:18,880 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90200 18040 70.172 -28293 7691 -35984 -35984 2.9489 -3.1756 -0.42349 1.7106e+05 2024-05-18 08:24:54,023 INFO [main.py:798]
{rank 0/64} MD step = 90300 step time: 00:00:00.344588 Performance: 31.509 ns/day 0.762 hours/ns 1.823 steps/s 2024-05-18 08:25:11,023 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90300 18060 70.598 -28328 7737.6 -36066 -36066 2.9546 -3.1797 -0.42371 1.7125e+05 2024-05-18 08:25:46,101 INFO [main.py:798]
{rank 0/64} MD step = 90400 step time: 00:00:00.349231 Performance: 31.511 ns/day 0.762 hours/ns 1.824 steps/s 2024-05-18 08:25:55,132 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90400 18080 69.583 -28396 7626.4 -36022 -36022 2.9605 -3.1832 -0.42339 1.7144e+05 2024-05-18 08:26:28,752 INFO [main.py:798]
{rank 0/64} MD step = 90500 step time: 00:00:00.328272 Performance: 31.518 ns/day 0.761 hours/ns 1.824 steps/s 2024-05-18 08:26:36,048 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90500 18100 68.498 -28589 7507.4 -36096 -36096 2.9648 -3.189 -0.42258 1.7166e+05 2024-05-18 08:27:12,635 INFO [main.py:798]
{rank 0/64} MD step = 90600 step time: 00:00:00.328129 Performance: 31.525 ns/day 0.761 hours/ns 1.824 steps/s 2024-05-18 08:27:19,783 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90600 18120 69.711 -28541 7640.4 -36182 -36182 2.9683 -3.1932 -0.42265 1.7183e+05 2024-05-18 08:27:55,298 INFO [main.py:798]
{rank 0/64} MD step = 90700 step time: 00:00:00.328516 Performance: 31.533 ns/day 0.761 hours/ns 1.825 steps/s 2024-05-18 08:28:01,009 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90700 18140 70.453 -28269 7721.8 -35991 -35991 2.9715 -3.1967 -0.42174 1.7202e+05 2024-05-18 08:28:35,316 INFO [main.py:798]
{rank 0/64} MD step = 90800 step time: 00:00:00.327019 Performance: 31.542 ns/day 0.761 hours/ns 1.825 steps/s 2024-05-18 08:28:40,934 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90800 18160 69.908 -28279 7662 -35941 -35941 2.9767 -3.202 -0.42191 1.7222e+05 2024-05-18 08:29:14,997 INFO [main.py:798]
{rank 0/64} MD step = 90900 step time: 00:00:00.345257 Performance: 31.552 ns/day 0.761 hours/ns 1.826 steps/s 2024-05-18 08:29:20,343 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90900 18180 70.54 -28284 7731.2 -36015 -36015 2.9818 -3.2055 -0.42135 1.7241e+05 2024-05-18 08:29:54,844 INFO [main.py:798]
{rank 0/64} MD step = 91000 step time: 00:00:00.348368 Performance: 31.561 ns/day 0.760 hours/ns 1.826 steps/s 2024-05-18 08:30:00,315 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 91000 18200 69.276 -28530 7592.7 -36123 -36123 2.9842 -3.2097 -0.42311 1.7255e+05 2024-05-18 08:30:34,836 INFO [main.py:798]
{rank 0/64} MD step = 91100 step time: 00:00:00.341564 Performance: 31.571 ns/day 0.760 hours/ns 1.827 steps/s 2024-05-18 08:30:39,850 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 91100 18220 69.566 -28470 7624.5 -36094 -36094 2.9874 -3.214 -0.42484 1.7276e+05 2024-05-18 08:31:14,907 INFO [main.py:798]
{rank 0/64} MD step = 91200 step time: 00:00:00.338723 Performance: 31.580 ns/day 0.760 hours/ns 1.828 steps/s 2024-05-18 08:31:20,061 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 91200 18240 70.382 -28305 7714 -36019 -36019 2.9895 -3.2197 -0.42681 1.7295e+05 2024-05-18 08:31:54,782 INFO [main.py:798]
{rank 0/64} MD step = 91300 step time: 00:00:00.342484 Performance: 31.589 ns/day 0.760 hours/ns 1.828 steps/s 2024-05-18 08:31:59,724 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 91300 18260 69.194 -28530 7583.8 -36113 -36113 2.9929 -3.2231 -0.42559 1.7315e+05 2024-05-18 08:32:34,740 INFO [main.py:798]
{rank 0/64} MD step = 91400 step time: 00:00:00.333991 Performance: 31.599 ns/day 0.760 hours/ns 1.829 steps/s 2024-05-18 08:32:40,242 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 91400 18280 70.347 -28506 7710.1 -36216 -36216 2.9978 -3.2286 -0.42711 1.7332e+05 2024-05-18 08:33:14,774 INFO [main.py:798]
{rank 0/64} MD step = 91500 step time: 00:00:00.357863 Performance: 31.608 ns/day 0.759 hours/ns 1.829 steps/s 2024-05-18 08:33:21,755 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 91500 18300 68.551 -28518 7513.3 -36031 -36031 3.0034 -3.2342 -0.4274 1.7356e+05 2024-05-18 08:33:56,688 INFO [main.py:798]
{rank 0/64} MD step = 91600 step time: 00:00:00.353341 Performance: 31.616 ns/day 0.759 hours/ns 1.830 steps/s 2024-05-18 08:34:02,432 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 91600 18320 69.678 -28481 7636.8 -36118 -36118 3.0054 -3.2384 -0.4294 1.7377e+05 2024-05-18 08:34:38,546 INFO [main.py:798]
{rank 0/64} MD step = 91700 step time: 00:00:00.375533 Performance: 31.624 ns/day 0.759 hours/ns 1.830 steps/s 2024-05-18 08:34:46,771 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 91700 18340 69.988 -28358 7670.8 -36028 -36028 3.0087 -3.2427 -0.43059 1.7396e+05 2024-05-18 08:35:21,554 INFO [main.py:798]
{rank 0/64} MD step = 91800 step time: 00:00:00.349376 Performance: 31.631 ns/day 0.759 hours/ns 1.831 steps/s 2024-05-18 08:35:33,991 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 91800 18360 69.858 -28419 7656.5 -36075 -36075 3.0113 -3.248 -0.4317 1.7415e+05 2024-05-18 08:36:07,838 INFO [main.py:798]
{rank 0/64} MD step = 91900 step time: 00:00:00.334149 Performance: 31.637 ns/day 0.759 hours/ns 1.831 steps/s 2024-05-18 08:36:14,301 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 91900 18380 70.691 -28288 7747.8 -36036 -36036 3.0141 -3.2522 -0.43231 1.7434e+05 2024-05-18 08:36:48,190 INFO [main.py:798]
{rank 0/64} MD step = 92000 step time: 00:00:00.342668 Performance: 31.646 ns/day 0.758 hours/ns 1.831 steps/s 2024-05-18 08:36:55,308 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 92000 18400 70 -28502 7672.1 -36174 -36174 3.0159 -3.2554 -0.43383 1.7448e+05 2024-05-18 08:37:29,302 INFO [main.py:798]
{rank 0/64} MD step = 92100 step time: 00:00:00.352989 Performance: 31.654 ns/day 0.758 hours/ns 1.832 steps/s 2024-05-18 08:37:40,952 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 92100 18420 69.785 -28473 7648.5 -36121 -36121 3.0167 -3.2592 -0.43341 1.7468e+05 2024-05-18 08:38:15,476 INFO [main.py:798]
{rank 0/64} MD step = 92200 step time: 00:00:00.359322 Performance: 31.659 ns/day 0.758 hours/ns 1.832 steps/s 2024-05-18 08:38:24,605 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 92200 18440 69.95 -28364 7666.6 -36030 -36030 3.0195 -3.2641 -0.43439 1.7489e+05 2024-05-18 08:38:58,796 INFO [main.py:798]
{rank 0/64} MD step = 92300 step time: 00:00:00.348276 Performance: 31.666 ns/day 0.758 hours/ns 1.833 steps/s 2024-05-18 08:39:11,043 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 92300 18460 70.658 -28290 7744.2 -36034 -36034 3.0258 -3.2682 -0.43315 1.7506e+05 2024-05-18 08:39:45,164 INFO [main.py:798]
{rank 0/64} MD step = 92400 step time: 00:00:00.335301 Performance: 31.672 ns/day 0.758 hours/ns 1.833 steps/s 2024-05-18 08:39:50,938 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 92400 18480 70.167 -28324 7690.4 -36015 -36015 3.031 -3.2714 -0.43317 1.7527e+05 2024-05-18 08:40:25,898 INFO [main.py:798]
{rank 0/64} MD step = 92500 step time: 00:00:00.351828 Performance: 31.680 ns/day 0.758 hours/ns 1.833 steps/s 2024-05-18 08:40:34,645 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 92500 18500 70.103 -28329 7683.4 -36012 -36012 3.0327 -3.2753 -0.43317 1.7545e+05 2024-05-18 08:41:09,423 INFO [main.py:798]
{rank 0/64} MD step = 92600 step time: 00:00:00.352528 Performance: 31.687 ns/day 0.757 hours/ns 1.834 steps/s 2024-05-18 08:41:17,006 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 92600 18520 70.055 -28453 7678.1 -36131 -36131 3.037 -3.2779 -0.43288 1.756e+05 2024-05-18 08:41:53,831 INFO [main.py:798]
{rank 0/64} MD step = 92700 step time: 00:00:00.366981 Performance: 31.694 ns/day 0.757 hours/ns 1.834 steps/s 2024-05-18 08:42:02,958 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 92700 18540 69.781 -28481 7648.1 -36129 -36129 3.0405 -3.2841 -0.43366 1.7578e+05 2024-05-18 08:42:36,598 INFO [main.py:798]
{rank 0/64} MD step = 92800 step time: 00:00:00.347315 Performance: 31.701 ns/day 0.757 hours/ns 1.835 steps/s 2024-05-18 08:42:47,224 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 92800 18560 70.153 -28576 7688.8 -36265 -36265 3.0449 -3.2878 -0.43558 1.7595e+05 2024-05-18 08:43:22,815 INFO [main.py:798]
{rank 0/64} MD step = 92900 step time: 00:00:00.325889 Performance: 31.706 ns/day 0.757 hours/ns 1.835 steps/s 2024-05-18 08:43:34,116 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 92900 18580 70.007 -28579 7672.8 -36252 -36252 3.049 -3.2929 -0.43392 1.7616e+05 2024-05-18 08:44:08,615 INFO [main.py:798]
{rank 0/64} MD step = 93000 step time: 00:00:00.326052 Performance: 31.712 ns/day 0.757 hours/ns 1.835 steps/s 2024-05-18 08:44:20,781 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93000 18600 70.33 -28544 7708.2 -36252 -36252 3.0548 -3.2973 -0.43232 1.7635e+05 2024-05-18 08:44:54,868 INFO [main.py:798]
{rank 0/64} MD step = 93100 step time: 00:00:00.359124 Performance: 31.717 ns/day 0.757 hours/ns 1.835 steps/s 2024-05-18 08:45:22,989 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93100 18620 69.804 -28484 7650.6 -36134 -36134 3.0581 -3.3023 -0.43408 1.7655e+05 2024-05-18 08:45:57,132 INFO [main.py:798]
{rank 0/64} MD step = 93200 step time: 00:00:00.344840 Performance: 31.712 ns/day 0.757 hours/ns 1.835 steps/s 2024-05-18 08:46:05,367 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93200 18640 70.286 -28502 7703.4 -36206 -36206 3.0637 -3.3076 -0.4349 1.7672e+05 2024-05-18 08:46:42,550 INFO [main.py:798]
{rank 0/64} MD step = 93300 step time: 00:00:00.344035 Performance: 31.717 ns/day 0.757 hours/ns 1.836 steps/s 2024-05-18 08:46:53,778 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93300 18660 70.7 -28304 7748.8 -36053 -36053 3.0672 -3.3115 -0.43359 1.7694e+05 2024-05-18 08:47:32,317 INFO [main.py:798]
{rank 0/64} MD step = 93400 step time: 00:00:00.331296 Performance: 31.720 ns/day 0.757 hours/ns 1.836 steps/s 2024-05-18 08:47:40,503 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93400 18680 69.608 -28618 7629.1 -36248 -36248 3.0704 -3.3167 -0.43469 1.7705e+05 2024-05-18 08:48:15,038 INFO [main.py:798]
{rank 0/64} MD step = 93500 step time: 00:00:00.360381 Performance: 31.728 ns/day 0.756 hours/ns 1.836 steps/s 2024-05-18 08:48:24,437 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93500 18700 69.692 -28519 7638.3 -36157 -36157 3.075 -3.3216 -0.43353 1.7728e+05 2024-05-18 08:49:00,398 INFO [main.py:798]
{rank 0/64} MD step = 93600 step time: 00:00:00.338066 Performance: 31.733 ns/day 0.756 hours/ns 1.836 steps/s 2024-05-18 08:49:08,336 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93600 18720 69.843 -28490 7654.8 -36145 -36145 3.078 -3.3263 -0.43515 1.7749e+05 2024-05-18 08:49:43,416 INFO [main.py:798]
{rank 0/64} MD step = 93700 step time: 00:00:00.360348 Performance: 31.741 ns/day 0.756 hours/ns 1.837 steps/s 2024-05-18 08:49:51,927 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93700 18740 70.096 -28340 7682.6 -36023 -36023 3.0814 -3.3314 -0.4373 1.7768e+05 2024-05-18 08:50:25,521 INFO [main.py:798]
{rank 0/64} MD step = 93800 step time: 00:00:00.334036 Performance: 31.748 ns/day 0.756 hours/ns 1.837 steps/s 2024-05-18 08:50:35,123 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93800 18760 71.022 -28496 7784.1 -36280 -36280 3.0869 -3.3365 -0.43682 1.7782e+05 2024-05-18 08:51:09,704 INFO [main.py:798]
{rank 0/64} MD step = 93900 step time: 00:00:00.352870 Performance: 31.755 ns/day 0.756 hours/ns 1.838 steps/s 2024-05-18 08:51:19,361 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93900 18780 69.887 -28620 7659.7 -36280 -36280 3.0895 -3.3416 -0.43736 1.7805e+05 2024-05-18 08:51:52,972 INFO [main.py:798]
{rank 0/64} MD step = 94000 step time: 00:00:00.344004 Performance: 31.761 ns/day 0.756 hours/ns 1.838 steps/s 2024-05-18 08:52:10,554 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 94000 18800 70.463 -28466 7722.9 -36189 -36189 3.0928 -3.3445 -0.43806 1.7822e+05 2024-05-18 08:52:44,011 INFO [main.py:798]
{rank 0/64} MD step = 94100 step time: 00:00:00.332111 Performance: 31.764 ns/day 0.756 hours/ns 1.838 steps/s 2024-05-18 08:52:56,866 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 94100 18820 69.397 -28473 7606 -36079 -36079 3.0944 -3.3502 -0.43783 1.784e+05 2024-05-18 08:53:31,024 INFO [main.py:798]
{rank 0/64} MD step = 94200 step time: 00:00:00.350374 Performance: 31.768 ns/day 0.755 hours/ns 1.838 steps/s 2024-05-18 08:53:40,611 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 94200 18840 69.384 -28494 7604.6 -36099 -36099 3.0968 -3.3541 -0.43842 1.786e+05 2024-05-18 08:54:14,903 INFO [main.py:798]
{rank 0/64} MD step = 94300 step time: 00:00:00.354738 Performance: 31.775 ns/day 0.755 hours/ns 1.839 steps/s 2024-05-18 08:54:24,103 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 94300 18860 71.671 -28315 7855.2 -36171 -36171 3.0997 -3.3574 -0.43922 1.7879e+05 2024-05-18 08:54:58,768 INFO [main.py:798]
{rank 0/64} MD step = 94400 step time: 00:00:00.349055 Performance: 31.781 ns/day 0.755 hours/ns 1.839 steps/s 2024-05-18 08:55:08,955 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 94400 18880 70.386 -28341 7714.4 -36056 -36056 3.1047 -3.3622 -0.43942 1.7901e+05 2024-05-18 08:55:43,869 INFO [main.py:798]
{rank 0/64} MD step = 94500 step time: 00:00:00.353054 Performance: 31.787 ns/day 0.755 hours/ns 1.840 steps/s 2024-05-18 08:55:52,339 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 94500 18900 69.052 -28425 7568.1 -35993 -35993 3.1086 -3.3665 -0.43897 1.7924e+05 2024-05-18 08:56:26,819 INFO [main.py:798]
{rank 0/64} MD step = 94600 step time: 00:00:00.346920 Performance: 31.794 ns/day 0.755 hours/ns 1.840 steps/s 2024-05-18 08:56:37,135 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 94600 18920 68.996 -28565 7562 -36127 -36127 3.1114 -3.3724 -0.44011 1.7941e+05 2024-05-18 08:57:12,210 INFO [main.py:798]
{rank 0/64} MD step = 94700 step time: 00:00:00.326645 Performance: 31.800 ns/day 0.755 hours/ns 1.840 steps/s 2024-05-18 08:57:23,494 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 94700 18940 69.905 -28518 7661.6 -36180 -36180 3.1149 -3.3767 -0.43972 1.7958e+05 2024-05-18 08:57:57,911 INFO [main.py:798]
{rank 0/64} MD step = 94800 step time: 00:00:00.332638 Performance: 31.805 ns/day 0.755 hours/ns 1.841 steps/s 2024-05-18 08:58:08,474 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 94800 18960 69.692 -28632 7638.3 -36270 -36270 3.1178 -3.3815 -0.43881 1.7973e+05 2024-05-18 08:58:42,695 INFO [main.py:798]
{rank 0/64} MD step = 94900 step time: 00:00:00.348964 Performance: 31.811 ns/day 0.754 hours/ns 1.841 steps/s 2024-05-18 08:58:56,930 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 94900 18980 69.709 -28582 7640.1 -36222 -36222 3.1198 -3.3869 -0.43889 1.7995e+05 2024-05-18 08:59:31,346 INFO [main.py:798]
{rank 0/64} MD step = 95000 step time: 00:00:00.351152 Performance: 31.814 ns/day 0.754 hours/ns 1.841 steps/s 2024-05-18 08:59:42,794 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 95000 19000 69.226 -28653 7587.3 -36240 -36240 3.1236 -3.3901 -0.43945 1.801e+05 2024-05-18 09:00:18,585 INFO [main.py:798]
{rank 0/64} MD step = 95100 step time: 00:00:00.371048 Performance: 31.819 ns/day 0.754 hours/ns 1.841 steps/s 2024-05-18 09:00:26,594 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 95100 19020 69.403 -28501 7606.6 -36107 -36107 3.125 -3.3944 -0.44239 1.8032e+05 2024-05-18 09:01:01,113 INFO [main.py:798]
{rank 0/64} MD step = 95200 step time: 00:00:00.349967 Performance: 31.826 ns/day 0.754 hours/ns 1.842 steps/s 2024-05-18 09:01:11,645 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 95200 19040 68.849 -28700 7546 -36246 -36246 3.1291 -3.4 -0.44334 1.8051e+05 2024-05-18 09:01:45,987 INFO [main.py:798]
{rank 0/64} MD step = 95300 step time: 00:00:00.350180 Performance: 31.832 ns/day 0.754 hours/ns 1.842 steps/s 2024-05-18 09:01:59,161 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 95300 19060 69.506 -28543 7617.9 -36161 -36161 3.1331 -3.4047 -0.44415 1.8067e+05 2024-05-18 09:02:33,239 INFO [main.py:798]
{rank 0/64} MD step = 95400 step time: 00:00:00.325825 Performance: 31.836 ns/day 0.754 hours/ns 1.842 steps/s 2024-05-18 09:02:50,445 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 95400 19080 70.536 -28558 7730.9 -36289 -36289 3.1367 -3.4088 -0.44423 1.8081e+05 2024-05-18 09:03:25,186 INFO [main.py:798]
{rank 0/64} MD step = 95500 step time: 00:00:00.344672 Performance: 31.837 ns/day 0.754 hours/ns 1.842 steps/s 2024-05-18 09:03:33,749 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 95500 19100 69.003 -28520 7562.8 -36083 -36083 3.1429 -3.4127 -0.44505 1.8106e+05 2024-05-18 09:04:10,986 INFO [main.py:798]
{rank 0/64} MD step = 95600 step time: 00:00:00.336368 Performance: 31.843 ns/day 0.754 hours/ns 1.843 steps/s 2024-05-18 09:04:23,676 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 95600 19120 69.463 -28625 7613.3 -36238 -36238 3.1457 -3.4165 -0.44418 1.8125e+05 2024-05-18 09:04:57,671 INFO [main.py:798]
{rank 0/64} MD step = 95700 step time: 00:00:00.347103 Performance: 31.847 ns/day 0.754 hours/ns 1.843 steps/s 2024-05-18 09:05:05,827 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 95700 19140 68.613 -28632 7520.1 -36152 -36152 3.1474 -3.4196 -0.44342 1.8144e+05 2024-05-18 09:05:42,380 INFO [main.py:798]
{rank 0/64} MD step = 95800 step time: 00:00:00.340787 Performance: 31.853 ns/day 0.753 hours/ns 1.843 steps/s 2024-05-18 09:06:00,353 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 95800 19160 69.16 -28551 7580 -36131 -36131 3.1499 -3.4244 -0.4457 1.8166e+05 2024-05-18 09:06:35,510 INFO [main.py:798]
{rank 0/64} MD step = 95900 step time: 00:00:00.334361 Performance: 31.854 ns/day 0.753 hours/ns 1.843 steps/s 2024-05-18 09:06:51,320 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 95900 19180 69.694 -28410 7638.6 -36049 -36049 3.1523 -3.4298 -0.44658 1.8182e+05 2024-05-18 09:07:26,692 INFO [main.py:798]
{rank 0/64} MD step = 96000 step time: 00:00:00.352684 Performance: 31.856 ns/day 0.753 hours/ns 1.843 steps/s 2024-05-18 09:07:36,305 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 96000 19200 71.001 -28446 7781.8 -36228 -36228 3.1559 -3.4336 -0.44563 1.8199e+05 2024-05-18 09:08:10,983 INFO [main.py:798]
{rank 0/64} MD step = 96100 step time: 00:00:00.355001 Performance: 31.862 ns/day 0.753 hours/ns 1.844 steps/s 2024-05-18 09:08:22,500 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 96100 19220 69.925 -28416 7663.9 -36079 -36079 3.1595 -3.439 -0.44475 1.8223e+05 2024-05-18 09:08:56,258 INFO [main.py:798]
{rank 0/64} MD step = 96200 step time: 00:00:00.340932 Performance: 31.867 ns/day 0.753 hours/ns 1.844 steps/s 2024-05-18 09:09:06,750 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 96200 19240 69.943 -28428 7665.8 -36093 -36093 3.1619 -3.4433 -0.44441 1.8238e+05 2024-05-18 09:09:40,868 INFO [main.py:798]
{rank 0/64} MD step = 96300 step time: 00:00:00.342545 Performance: 31.873 ns/day 0.753 hours/ns 1.845 steps/s 2024-05-18 09:09:49,363 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 96300 19260 70.169 -28331 7690.6 -36022 -36022 3.163 -3.4474 -0.44596 1.826e+05 2024-05-18 09:10:23,443 INFO [main.py:798]
{rank 0/64} MD step = 96400 step time: 00:00:00.340045 Performance: 31.880 ns/day 0.753 hours/ns 1.845 steps/s 2024-05-18 09:10:30,684 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 96400 19280 69.137 -28578 7577.5 -36156 -36156 3.1677 -3.4516 -0.44602 1.8278e+05 2024-05-18 09:11:05,080 INFO [main.py:798]
{rank 0/64} MD step = 96500 step time: 00:00:00.350932 Performance: 31.888 ns/day 0.753 hours/ns 1.845 steps/s 2024-05-18 09:11:16,212 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 96500 19300 69.65 -28415 7633.7 -36049 -36049 3.1721 -3.4554 -0.44595 1.8294e+05 2024-05-18 09:11:50,544 INFO [main.py:798]
{rank 0/64} MD step = 96600 step time: 00:00:00.361632 Performance: 31.893 ns/day 0.753 hours/ns 1.846 steps/s 2024-05-18 09:11:55,478 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 96600 19320 69.019 -28574 7564.6 -36139 -36139 3.1762 -3.459 -0.44689 1.8316e+05 2024-05-18 09:12:32,009 INFO [main.py:798]
{rank 0/64} MD step = 96700 step time: 00:00:00.346958 Performance: 31.901 ns/day 0.752 hours/ns 1.846 steps/s 2024-05-18 09:12:39,734 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 96700 19340 69.727 -28432 7642.2 -36074 -36074 3.1813 -3.4643 -0.44694 1.8334e+05 2024-05-18 09:13:14,114 INFO [main.py:798]
{rank 0/64} MD step = 96800 step time: 00:00:00.350948 Performance: 31.908 ns/day 0.752 hours/ns 1.847 steps/s 2024-05-18 09:13:24,099 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 96800 19360 69.431 -28416 7609.7 -36026 -36026 3.1825 -3.4685 -0.44723 1.8356e+05 2024-05-18 09:13:58,758 INFO [main.py:798]
{rank 0/64} MD step = 96900 step time: 00:00:00.373249 Performance: 31.914 ns/day 0.752 hours/ns 1.847 steps/s 2024-05-18 09:14:10,271 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 96900 19380 70.812 -28304 7761.1 -36065 -36065 3.1837 -3.4725 -0.44738 1.8372e+05 2024-05-18 09:14:44,459 INFO [main.py:798]
{rank 0/64} MD step = 97000 step time: 00:00:00.350113 Performance: 31.919 ns/day 0.752 hours/ns 1.847 steps/s 2024-05-18 09:14:52,637 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97000 19400 69.145 -28496 7578.4 -36074 -36074 3.1876 -3.4771 -0.44723 1.8388e+05 2024-05-18 09:15:27,199 INFO [main.py:798]
{rank 0/64} MD step = 97100 step time: 00:00:00.336560 Performance: 31.926 ns/day 0.752 hours/ns 1.848 steps/s 2024-05-18 09:15:38,205 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97100 19420 70.227 -28411 7696.9 -36108 -36108 3.1909 -3.4815 -0.44756 1.8409e+05 2024-05-18 09:16:13,639 INFO [main.py:798]
{rank 0/64} MD step = 97200 step time: 00:00:00.351594 Performance: 31.931 ns/day 0.752 hours/ns 1.848 steps/s 2024-05-18 09:16:22,646 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97200 19440 69.653 -28404 7634 -36038 -36038 3.195 -3.4859 -0.4478 1.8428e+05 2024-05-18 09:16:57,324 INFO [main.py:798]
{rank 0/64} MD step = 97300 step time: 00:00:00.325466 Performance: 31.937 ns/day 0.751 hours/ns 1.848 steps/s 2024-05-18 09:17:11,597 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97300 19460 69.298 -28482 7595.1 -36077 -36077 3.1968 -3.4903 -0.44805 1.8447e+05 2024-05-18 09:17:45,577 INFO [main.py:798]
{rank 0/64} MD step = 97400 step time: 00:00:00.325187 Performance: 31.941 ns/day 0.751 hours/ns 1.848 steps/s 2024-05-18 09:17:55,903 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97400 19480 69.891 -28400 7660.1 -36060 -36060 3.2 -3.4966 -0.44726 1.8466e+05 2024-05-18 09:18:29,522 INFO [main.py:798]
{rank 0/64} MD step = 97500 step time: 00:00:00.333277 Performance: 31.947 ns/day 0.751 hours/ns 1.849 steps/s 2024-05-18 09:18:43,555 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97500 19500 69.487 -28439 7615.9 -36054 -36054 3.2042 -3.501 -0.44804 1.8486e+05 2024-05-18 09:19:17,702 INFO [main.py:798]
{rank 0/64} MD step = 97600 step time: 00:00:00.345837 Performance: 31.950 ns/day 0.751 hours/ns 1.849 steps/s 2024-05-18 09:19:28,545 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97600 19520 70.617 -28350 7739.7 -36090 -36090 3.209 -3.5042 -0.45008 1.8504e+05 2024-05-18 09:20:02,826 INFO [main.py:798]
{rank 0/64} MD step = 97700 step time: 00:00:00.351677 Performance: 31.956 ns/day 0.751 hours/ns 1.849 steps/s 2024-05-18 09:20:11,173 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97700 19540 70.126 -28172 7685.9 -35858 -35858 3.2125 -3.5071 -0.45126 1.8528e+05 2024-05-18 09:20:45,036 INFO [main.py:798]
{rank 0/64} MD step = 97800 step time: 00:00:00.353438 Performance: 31.963 ns/day 0.751 hours/ns 1.850 steps/s 2024-05-18 09:20:52,658 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97800 19560 69.918 -28446 7663.1 -36109 -36109 3.2173 -3.5128 -0.45139 1.8545e+05 2024-05-18 09:21:26,939 INFO [main.py:798]
{rank 0/64} MD step = 97900 step time: 00:00:00.350221 Performance: 31.970 ns/day 0.751 hours/ns 1.850 steps/s 2024-05-18 09:21:33,980 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97900 19580 70.336 -28399 7708.9 -36108 -36108 3.2207 -3.5168 -0.45137 1.8567e+05 2024-05-18 09:22:08,914 INFO [main.py:798]
{rank 0/64} MD step = 98000 step time: 00:00:00.354615 Performance: 31.978 ns/day 0.751 hours/ns 1.851 steps/s 2024-05-18 09:22:14,970 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98000 19600 70.032 -28323 7675.6 -35999 -35999 3.2251 -3.5221 -0.45225 1.8584e+05 2024-05-18 09:22:50,410 INFO [main.py:798]
{rank 0/64} MD step = 98100 step time: 00:00:00.377184 Performance: 31.985 ns/day 0.750 hours/ns 1.851 steps/s 2024-05-18 09:22:56,454 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98100 19620 70.65 -28250 7743.3 -35993 -35993 3.2269 -3.5263 -0.4519 1.8604e+05 2024-05-18 09:23:31,375 INFO [main.py:798]
{rank 0/64} MD step = 98200 step time: 00:00:00.350522 Performance: 31.993 ns/day 0.750 hours/ns 1.851 steps/s 2024-05-18 09:23:36,260 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98200 19640 68.939 -28454 7555.8 -36010 -36010 3.2312 -3.5305 -0.44998 1.8624e+05 2024-05-18 09:24:10,639 INFO [main.py:798]
{rank 0/64} MD step = 98300 step time: 00:00:00.353763 Performance: 32.002 ns/day 0.750 hours/ns 1.852 steps/s 2024-05-18 09:24:16,200 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98300 19660 70.491 -28294 7725.9 -36020 -36020 3.2336 -3.5346 -0.44906 1.8646e+05 2024-05-18 09:24:51,065 INFO [main.py:798]
{rank 0/64} MD step = 98400 step time: 00:00:00.355125 Performance: 32.010 ns/day 0.750 hours/ns 1.852 steps/s 2024-05-18 09:24:57,274 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98400 19680 70.519 -28267 7728.9 -35996 -35996 3.2368 -3.5378 -0.45011 1.8665e+05 2024-05-18 09:25:31,295 INFO [main.py:798]
{rank 0/64} MD step = 98500 step time: 00:00:00.352525 Performance: 32.018 ns/day 0.750 hours/ns 1.853 steps/s 2024-05-18 09:25:36,680 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98500 19700 70.148 -28322 7688.3 -36010 -36010 3.2424 -3.5438 -0.45169 1.8682e+05 2024-05-18 09:26:11,247 INFO [main.py:798]
{rank 0/64} MD step = 98600 step time: 00:00:00.344854 Performance: 32.027 ns/day 0.749 hours/ns 1.853 steps/s 2024-05-18 09:26:22,222 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98600 19720 69.658 -28543 7634.6 -36177 -36177 3.2452 -3.5477 -0.45239 1.8699e+05 2024-05-18 09:26:56,204 INFO [main.py:798]
{rank 0/64} MD step = 98700 step time: 00:00:00.337546 Performance: 32.032 ns/day 0.749 hours/ns 1.854 steps/s 2024-05-18 09:27:09,611 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98700 19740 69.926 -28624 7663.9 -36288 -36288 3.248 -3.5521 -0.45305 1.8714e+05 2024-05-18 09:27:43,880 INFO [main.py:798]
{rank 0/64} MD step = 98800 step time: 00:00:00.354660 Performance: 32.036 ns/day 0.749 hours/ns 1.854 steps/s 2024-05-18 09:27:49,937 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98800 19760 70.005 -28540 7672.6 -36213 -36213 3.251 -3.556 -0.45142 1.8737e+05 2024-05-18 09:28:24,032 INFO [main.py:798]
{rank 0/64} MD step = 98900 step time: 00:00:00.351665 Performance: 32.044 ns/day 0.749 hours/ns 1.854 steps/s 2024-05-18 09:28:29,944 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98900 19780 69.559 -28513 7623.8 -36137 -36137 3.2555 -3.5603 -0.451 1.8758e+05 2024-05-18 09:29:03,762 INFO [main.py:798]
{rank 0/64} MD step = 99000 step time: 00:00:00.345242 Performance: 32.053 ns/day 0.749 hours/ns 1.855 steps/s 2024-05-18 09:29:08,979 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99000 19800 70.33 -28317 7708.3 -36026 -36026 3.2598 -3.5651 -0.45001 1.8782e+05 2024-05-18 09:29:43,389 INFO [main.py:798]
{rank 0/64} MD step = 99100 step time: 00:00:00.354386 Performance: 32.061 ns/day 0.749 hours/ns 1.855 steps/s 2024-05-18 09:29:49,547 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99100 19820 70.518 -28437 7728.8 -36166 -36166 3.2652 -3.5695 -0.45084 1.8797e+05 2024-05-18 09:30:23,682 INFO [main.py:798]
{rank 0/64} MD step = 99200 step time: 00:00:00.345467 Performance: 32.070 ns/day 0.748 hours/ns 1.856 steps/s 2024-05-18 09:30:29,243 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99200 19840 69.724 -28496 7641.9 -36138 -36138 3.2675 -3.5744 -0.44826 1.8819e+05 2024-05-18 09:31:04,283 INFO [main.py:798]
{rank 0/64} MD step = 99300 step time: 00:00:00.362150 Performance: 32.077 ns/day 0.748 hours/ns 1.856 steps/s 2024-05-18 09:31:10,647 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99300 19860 69.225 -28465 7587.2 -36052 -36052 3.27 -3.5794 -0.44928 1.8837e+05 2024-05-18 09:31:44,676 INFO [main.py:798]
{rank 0/64} MD step = 99400 step time: 00:00:00.349143 Performance: 32.086 ns/day 0.748 hours/ns 1.857 steps/s 2024-05-18 09:31:49,323 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99400 19880 69.676 -28339 7636.5 -35975 -35975 3.2742 -3.5838 -0.44974 1.8856e+05 2024-05-18 09:32:23,490 INFO [main.py:798]
{rank 0/64} MD step = 99500 step time: 00:00:00.349274 Performance: 32.095 ns/day 0.748 hours/ns 1.857 steps/s 2024-05-18 09:32:29,639 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99500 19900 70.601 -28347 7738 -36085 -36085 3.2782 -3.5901 -0.44818 1.8873e+05 2024-05-18 09:33:04,683 INFO [main.py:798]
{rank 0/64} MD step = 99600 step time: 00:00:00.342304 Performance: 32.102 ns/day 0.748 hours/ns 1.858 steps/s 2024-05-18 09:33:17,729 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99600 19920 70.819 -28472 7761.9 -36234 -36234 3.2819 -3.595 -0.44721 1.8891e+05 2024-05-18 09:33:53,405 INFO [main.py:798]
{rank 0/64} MD step = 99700 step time: 00:00:00.373670 Performance: 32.105 ns/day 0.748 hours/ns 1.858 steps/s 2024-05-18 09:34:06,004 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99700 19940 69.793 -28369 7649.4 -36018 -36018 3.2877 -3.6008 -0.44755 1.8913e+05 2024-05-18 09:34:40,360 INFO [main.py:798]
{rank 0/64} MD step = 99800 step time: 00:00:00.342752 Performance: 32.109 ns/day 0.747 hours/ns 1.858 steps/s 2024-05-18 09:34:46,469 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99800 19960 70.044 -28429 7676.9 -36106 -36106 3.2911 -3.6045 -0.44837 1.8931e+05 2024-05-18 09:35:23,249 INFO [main.py:798]
{rank 0/64} MD step = 99900 step time: 00:00:00.329796 Performance: 32.116 ns/day 0.747 hours/ns 1.859 steps/s 2024-05-18 09:35:29,796 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99900 19980 69.512 -28491 7618.7 -36110 -36110 3.2944 -3.6088 -0.44974 1.895e+05 2024-05-18 09:36:06,601 INFO [main.py:798]
{rank 0/64} MD step = 100000 step time: 00:00:00.326668 Performance: 32.122 ns/day 0.747 hours/ns 1.859 steps/s 2024-05-18 09:36:13,329 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100000 20000 68.56 -28654 7514.2 -36168 -36168 3.299 -3.6127 -0.45016 1.897e+05 2024-05-18 09:36:48,306 INFO [main.py:798]
{rank 0/64} MD step = 100100 step time: 00:00:00.325821 Performance: 32.129 ns/day 0.747 hours/ns 1.859 steps/s 2024-05-18 09:36:59,854 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100100 20020 70.34 -28569 7709.3 -36278 -36278 3.3019 -3.6172 -0.44883 1.8988e+05 2024-05-18 09:37:34,404 INFO [main.py:798]
{rank 0/64} MD step = 100200 step time: 00:00:00.326450 Performance: 32.134 ns/day 0.747 hours/ns 1.860 steps/s 2024-05-18 09:37:41,955 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100200 20040 70.028 -28648 7675.2 -36323 -36323 3.3064 -3.6233 -0.45073 1.9002e+05 2024-05-18 09:38:16,676 INFO [main.py:798]
{rank 0/64} MD step = 100300 step time: 00:00:00.326363 Performance: 32.141 ns/day 0.747 hours/ns 1.860 steps/s 2024-05-18 09:38:25,936 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100300 20060 69.325 -28626 7598.1 -36224 -36224 3.31 -3.6289 -0.45133 1.9023e+05 2024-05-18 09:39:00,991 INFO [main.py:798]
{rank 0/64} MD step = 100400 step time: 00:00:00.325112 Performance: 32.146 ns/day 0.747 hours/ns 1.860 steps/s 2024-05-18 09:39:09,973 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100400 20080 69.255 -28526 7590.5 -36116 -36116 3.3145 -3.6335 -0.45096 1.904e+05 2024-05-18 09:39:45,656 INFO [main.py:798]
{rank 0/64} MD step = 100500 step time: 00:00:00.326553 Performance: 32.152 ns/day 0.746 hours/ns 1.861 steps/s 2024-05-18 09:39:55,324 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100500 20100 70.833 -28413 7763.4 -36176 -36176 3.3162 -3.6375 -0.45212 1.9063e+05 2024-05-18 09:40:29,311 INFO [main.py:798]
{rank 0/64} MD step = 100600 step time: 00:00:00.339189 Performance: 32.158 ns/day 0.746 hours/ns 1.861 steps/s 2024-05-18 09:40:39,298 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100600 20120 70.447 -28599 7721 -36320 -36320 3.3167 -3.6429 -0.45153 1.9079e+05 2024-05-18 09:41:14,036 INFO [main.py:798]
{rank 0/64} MD step = 100700 step time: 00:00:00.357288 Performance: 32.163 ns/day 0.746 hours/ns 1.861 steps/s 2024-05-18 09:41:22,769 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100700 20140 69.204 -28591 7584.9 -36176 -36176 3.3178 -3.6484 -0.45268 1.9099e+05 2024-05-18 09:41:55,735 INFO [main.py:798]
{rank 0/64} MD step = 100800 step time: 00:00:00.326703 Performance: 32.170 ns/day 0.746 hours/ns 1.862 steps/s 2024-05-18 09:42:04,181 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100800 20160 69.518 -28631 7619.3 -36250 -36250 3.3216 -3.6549 -0.45323 1.9119e+05 2024-05-18 09:42:39,258 INFO [main.py:798]
{rank 0/64} MD step = 100900 step time: 00:00:00.327152 Performance: 32.176 ns/day 0.746 hours/ns 1.862 steps/s 2024-05-18 09:42:45,991 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100900 20180 71.192 -28584 7802.7 -36387 -36387 3.3264 -3.6598 -0.45222 1.9133e+05 2024-05-18 09:43:20,308 INFO [main.py:798]
{rank 0/64} MD step = 101000 step time: 00:00:00.327406 Performance: 32.184 ns/day 0.746 hours/ns 1.862 steps/s 2024-05-18 09:43:29,692 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 101000 20200 70.305 -28546 7705.5 -36251 -36251 3.3293 -3.6645 -0.45349 1.9152e+05 2024-05-18 09:44:03,811 INFO [main.py:798]
{rank 0/64} MD step = 101100 step time: 00:00:00.352047 Performance: 32.190 ns/day 0.746 hours/ns 1.863 steps/s 2024-05-18 09:44:09,393 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 101100 20220 70.141 -28554 7687.5 -36241 -36241 3.3326 -3.67 -0.4542 1.9175e+05 2024-05-18 09:44:45,793 INFO [main.py:798]
{rank 0/64} MD step = 101200 step time: 00:00:00.341468 Performance: 32.197 ns/day 0.745 hours/ns 1.863 steps/s 2024-05-18 09:44:52,971 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 101200 20240 70.694 -28452 7748.1 -36201 -36201 3.336 -3.6758 -0.45542 1.9194e+05 2024-05-18 09:45:27,421 INFO [main.py:798]
{rank 0/64} MD step = 101300 step time: 00:00:00.351454 Performance: 32.204 ns/day 0.745 hours/ns 1.864 steps/s 2024-05-18 09:45:35,015 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 101300 20260 69.337 -28668 7599.4 -36267 -36267 3.3395 -3.6783 -0.45378 1.921e+05 2024-05-18 09:46:09,611 INFO [main.py:798]
{rank 0/64} MD step = 101400 step time: 00:00:00.356720 Performance: 32.211 ns/day 0.745 hours/ns 1.864 steps/s 2024-05-18 09:46:22,886 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 101400 20280 70.06 -28659 7678.7 -36338 -36338 3.3416 -3.6828 -0.45357 1.9229e+05 2024-05-18 09:46:58,555 INFO [main.py:798]
{rank 0/64} MD step = 101500 step time: 00:00:00.369892 Performance: 32.213 ns/day 0.745 hours/ns 1.864 steps/s 2024-05-18 09:47:09,682 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 101500 20300 71.233 -28409 7807.2 -36216 -36216 3.3456 -3.6871 -0.45265 1.9248e+05 2024-05-18 09:47:45,440 INFO [main.py:798]
{rank 0/64} MD step = 101600 step time: 00:00:00.370904 Performance: 32.217 ns/day 0.745 hours/ns 1.864 steps/s 2024-05-18 09:47:56,164 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 101600 20320 69.408 -28592 7607.2 -36199 -36199 3.3492 -3.6911 -0.45266 1.927e+05 2024-05-18 09:48:30,304 INFO [main.py:798]
{rank 0/64} MD step = 101700 step time: 00:00:00.345480 Performance: 32.223 ns/day 0.745 hours/ns 1.865 steps/s 2024-05-18 09:48:39,977 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 101700 20340 69.325 -28433 7598.1 -36031 -36031 3.3505 -3.6963 -0.45332 1.929e+05 2024-05-18 09:49:14,517 INFO [main.py:798]
{rank 0/64} MD step = 101800 step time: 00:00:00.354891 Performance: 32.228 ns/day 0.745 hours/ns 1.865 steps/s 2024-05-18 09:49:25,005 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 101800 20360 69.921 -28551 7663.4 -36214 -36214 3.3512 -3.7031 -0.45401 1.9308e+05 2024-05-18 09:49:59,058 INFO [main.py:798]
{rank 0/64} MD step = 101900 step time: 00:00:00.352154 Performance: 32.234 ns/day 0.745 hours/ns 1.865 steps/s 2024-05-18 09:50:13,860 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 101900 20380 71.817 -28245 7871.3 -36116 -36116 3.3546 -3.7067 -0.45546 1.9325e+05 2024-05-18 09:50:48,359 INFO [main.py:798]
{rank 0/64} MD step = 102000 step time: 00:00:00.327000 Performance: 32.236 ns/day 0.745 hours/ns 1.866 steps/s 2024-05-18 09:51:07,145 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 102000 20400 69.598 -28655 7628 -36283 -36283 3.3577 -3.7105 -0.45515 1.9342e+05 2024-05-18 09:51:41,310 INFO [main.py:798]
{rank 0/64} MD step = 102100 step time: 00:00:00.356587 Performance: 32.237 ns/day 0.744 hours/ns 1.866 steps/s 2024-05-18 09:51:49,610 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 102100 20420 71.122 -28422 7795 -36217 -36217 3.3611 -3.7144 -0.45529 1.9361e+05 2024-05-18 09:52:23,740 INFO [main.py:798]
{rank 0/64} MD step = 102200 step time: 00:00:00.352677 Performance: 32.243 ns/day 0.744 hours/ns 1.866 steps/s 2024-05-18 09:52:34,845 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 102200 20440 69.716 -28610 7641 -36251 -36251 3.3642 -3.7196 -0.45587 1.9379e+05 2024-05-18 09:53:09,689 INFO [main.py:798]
{rank 0/64} MD step = 102300 step time: 00:00:00.352718 Performance: 32.248 ns/day 0.744 hours/ns 1.866 steps/s 2024-05-18 09:53:18,449 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 102300 20460 69.702 -28519 7639.4 -36159 -36159 3.3662 -3.7239 -0.45724 1.9395e+05 2024-05-18 09:53:53,590 INFO [main.py:798]
{rank 0/64} MD step = 102400 step time: 00:00:00.350656 Performance: 32.253 ns/day 0.744 hours/ns 1.867 steps/s 2024-05-18 09:54:08,607 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 102400 20480 69.225 -28493 7587.2 -36080 -36080 3.3696 -3.7281 -0.45721 1.9418e+05 2024-05-18 09:54:42,899 INFO [main.py:798]
{rank 0/64} MD step = 102500 step time: 00:00:00.332972 Performance: 32.256 ns/day 0.744 hours/ns 1.867 steps/s 2024-05-18 09:54:54,626 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 102500 20500 69.864 -28566 7657.2 -36223 -36223 3.3729 -3.7328 -0.45667 1.9433e+05 2024-05-18 09:55:29,442 INFO [main.py:798]
{rank 0/64} MD step = 102600 step time: 00:00:00.345265 Performance: 32.260 ns/day 0.744 hours/ns 1.867 steps/s 2024-05-18 09:55:36,571 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 102600 20520 70.447 -28610 7721.1 -36331 -36331 3.3769 -3.7386 -0.45784 1.9453e+05 2024-05-18 09:56:11,576 INFO [main.py:798]
{rank 0/64} MD step = 102700 step time: 00:00:00.352294 Performance: 32.267 ns/day 0.744 hours/ns 1.867 steps/s 2024-05-18 09:56:20,956 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 102700 20540 69.91 -28412 7662.2 -36074 -36074 3.3793 -3.7418 -0.45622 1.9477e+05 2024-05-18 09:56:55,557 INFO [main.py:798]
{rank 0/64} MD step = 102800 step time: 00:00:00.344610 Performance: 32.272 ns/day 0.744 hours/ns 1.868 steps/s 2024-05-18 09:57:06,999 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 102800 20560 71.09 -28388 7791.6 -36180 -36180 3.3819 -3.7461 -0.45584 1.9495e+05 2024-05-18 09:57:42,312 INFO [main.py:798]
{rank 0/64} MD step = 102900 step time: 00:00:00.375607 Performance: 32.276 ns/day 0.744 hours/ns 1.868 steps/s 2024-05-18 09:57:51,661 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 102900 20580 71.668 -28530 7854.9 -36385 -36385 3.3842 -3.7496 -0.45581 1.951e+05 2024-05-18 09:58:27,937 INFO [main.py:798]
{rank 0/64} MD step = 103000 step time: 00:00:00.349576 Performance: 32.281 ns/day 0.743 hours/ns 1.868 steps/s 2024-05-18 09:58:37,373 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 103000 20600 70.216 -28639 7695.8 -36335 -36335 3.3878 -3.7544 -0.45705 1.9525e+05 2024-05-18 09:59:11,199 INFO [main.py:798]
{rank 0/64} MD step = 103100 step time: 00:00:00.337705 Performance: 32.287 ns/day 0.743 hours/ns 1.868 steps/s 2024-05-18 09:59:20,101 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 103100 20620 69.849 -28490 7655.5 -36145 -36145 3.3917 -3.7589 -0.45564 1.9546e+05 2024-05-18 09:59:54,024 INFO [main.py:798]
{rank 0/64} MD step = 103200 step time: 00:00:00.347411 Performance: 32.293 ns/day 0.743 hours/ns 1.869 steps/s 2024-05-18 10:00:04,988 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 103200 20640 69.577 -28462 7625.7 -36088 -36088 3.3952 -3.7628 -0.4578 1.9564e+05 2024-05-18 10:00:39,831 INFO [main.py:798]
{rank 0/64} MD step = 103300 step time: 00:00:00.350663 Performance: 32.298 ns/day 0.743 hours/ns 1.869 steps/s 2024-05-18 10:00:49,263 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 103300 20660 70.569 -28352 7734.5 -36087 -36087 3.3984 -3.7666 -0.459 1.9586e+05 2024-05-18 10:01:23,327 INFO [main.py:798]
{rank 0/64} MD step = 103400 step time: 00:00:00.344395 Performance: 32.303 ns/day 0.743 hours/ns 1.869 steps/s 2024-05-18 10:01:33,471 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 103400 20680 69.679 -28425 7636.9 -36062 -36062 3.4009 -3.7723 -0.45816 1.9605e+05 2024-05-18 10:02:07,762 INFO [main.py:798]
{rank 0/64} MD step = 103500 step time: 00:00:00.335320 Performance: 32.309 ns/day 0.743 hours/ns 1.870 steps/s 2024-05-18 10:02:15,794 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 103500 20700 69.969 -28535 7668.7 -36204 -36204 3.4072 -3.7765 -0.45842 1.9623e+05 2024-05-18 10:02:50,546 INFO [main.py:798]
{rank 0/64} MD step = 103600 step time: 00:00:00.342229 Performance: 32.315 ns/day 0.743 hours/ns 1.870 steps/s 2024-05-18 10:02:58,069 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 103600 20720 68.987 -28560 7561.1 -36121 -36121 3.4101 -3.7813 -0.46081 1.9645e+05 2024-05-18 10:03:33,173 INFO [main.py:798]
{rank 0/64} MD step = 103700 step time: 00:00:00.355103 Performance: 32.321 ns/day 0.743 hours/ns 1.870 steps/s 2024-05-18 10:03:39,965 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 103700 20740 70.281 -28460 7702.8 -36163 -36163 3.4141 -3.7849 -0.46017 1.9662e+05 2024-05-18 10:04:14,400 INFO [main.py:798]
{rank 0/64} MD step = 103800 step time: 00:00:00.350748 Performance: 32.328 ns/day 0.742 hours/ns 1.871 steps/s 2024-05-18 10:04:21,892 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 103800 20760 69.189 -28507 7583.2 -36090 -36090 3.4194 -3.7891 -0.46105 1.9682e+05 2024-05-18 10:04:56,366 INFO [main.py:798]
{rank 0/64} MD step = 103900 step time: 00:00:00.346699 Performance: 32.335 ns/day 0.742 hours/ns 1.871 steps/s 2024-05-18 10:05:06,125 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 103900 20780 68.953 -28534 7557.4 -36091 -36091 3.4246 -3.7937 -0.45969 1.9702e+05 2024-05-18 10:05:40,356 INFO [main.py:798]
{rank 0/64} MD step = 104000 step time: 00:00:00.351437 Performance: 32.341 ns/day 0.742 hours/ns 1.872 steps/s 2024-05-18 10:05:53,761 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104000 20800 70.806 -28380 7760.5 -36141 -36141 3.4274 -3.7998 -0.46102 1.972e+05 2024-05-18 10:06:27,885 INFO [main.py:798]
{rank 0/64} MD step = 104100 step time: 00:00:00.346064 Performance: 32.344 ns/day 0.742 hours/ns 1.872 steps/s 2024-05-18 10:06:36,156 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104100 20820 70.153 -28428 7688.8 -36116 -36116 3.4287 -3.8045 -0.45957 1.9738e+05 2024-05-18 10:07:11,680 INFO [main.py:798]
{rank 0/64} MD step = 104200 step time: 00:00:00.367060 Performance: 32.350 ns/day 0.742 hours/ns 1.872 steps/s 2024-05-18 10:07:19,641 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104200 20840 70.211 -28626 7695.2 -36321 -36321 3.4302 -3.8098 -0.45917 1.9759e+05 2024-05-18 10:07:59,037 INFO [main.py:798]
{rank 0/64} MD step = 104300 step time: 00:00:00.371968 Performance: 32.353 ns/day 0.742 hours/ns 1.872 steps/s 2024-05-18 10:08:06,859 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104300 20860 69.275 -28630 7592.7 -36223 -36223 3.4316 -3.8149 -0.45854 1.9779e+05 2024-05-18 10:08:40,859 INFO [main.py:798]
{rank 0/64} MD step = 104400 step time: 00:00:00.350643 Performance: 32.360 ns/day 0.742 hours/ns 1.873 steps/s 2024-05-18 10:08:52,823 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104400 20880 68.965 -28708 7558.6 -36267 -36267 3.434 -3.8181 -0.46033 1.9798e+05 2024-05-18 10:09:28,872 INFO [main.py:798]
{rank 0/64} MD step = 104500 step time: 00:00:00.351202 Performance: 32.363 ns/day 0.742 hours/ns 1.873 steps/s 2024-05-18 10:09:40,666 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104500 20900 70.629 -28425 7741.1 -36166 -36166 3.4358 -3.823 -0.46018 1.982e+05 2024-05-18 10:10:15,446 INFO [main.py:798]
{rank 0/64} MD step = 104600 step time: 00:00:00.326515 Performance: 32.367 ns/day 0.741 hours/ns 1.873 steps/s 2024-05-18 10:10:26,869 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104600 20920 69.983 -28537 7670.2 -36208 -36208 3.4367 -3.8278 -0.46071 1.9838e+05 2024-05-18 10:11:01,786 INFO [main.py:798]
{rank 0/64} MD step = 104700 step time: 00:00:00.376014 Performance: 32.371 ns/day 0.741 hours/ns 1.873 steps/s 2024-05-18 10:11:08,793 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104700 20940 69.966 -28539 7668.3 -36207 -36207 3.4401 -3.8303 -0.46075 1.9857e+05 2024-05-18 10:11:45,150 INFO [main.py:798]
{rank 0/64} MD step = 104800 step time: 00:00:00.355198 Performance: 32.377 ns/day 0.741 hours/ns 1.874 steps/s 2024-05-18 10:11:51,684 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104800 20960 70.142 -28658 7687.7 -36346 -36346 3.4438 -3.8327 -0.45959 1.9874e+05 2024-05-18 10:12:26,103 INFO [main.py:798]
{rank 0/64} MD step = 104900 step time: 00:00:00.351380 Performance: 32.384 ns/day 0.741 hours/ns 1.874 steps/s 2024-05-18 10:12:33,742 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104900 20980 69.114 -28624 7575 -36198 -36198 3.4453 -3.8378 -0.45993 1.9895e+05 2024-05-18 10:13:08,102 INFO [main.py:798]
{rank 0/64} MD step = 105000 step time: 00:00:00.359226 Performance: 32.391 ns/day 0.741 hours/ns 1.874 steps/s 2024-05-18 10:13:15,678 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 105000 21000 69.698 -28554 7639 -36193 -36193 3.4475 -3.8412 -0.45968 1.9913e+05 2024-05-18 10:13:49,655 INFO [main.py:798]
{rank 0/64} MD step = 105100 step time: 00:00:00.344327 Performance: 32.397 ns/day 0.741 hours/ns 1.875 steps/s 2024-05-18 10:13:57,387 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 105100 21020 70.564 -28523 7733.9 -36257 -36257 3.4513 -3.8446 -0.45844 1.9929e+05 2024-05-18 10:14:32,868 INFO [main.py:798]
{rank 0/64} MD step = 105200 step time: 00:00:00.328042 Performance: 32.403 ns/day 0.741 hours/ns 1.875 steps/s 2024-05-18 10:14:39,972 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 105200 21040 70.529 -28469 7730.1 -36199 -36199 3.4543 -3.8493 -0.45747 1.9949e+05 2024-05-18 10:15:14,474 INFO [main.py:798]
{rank 0/64} MD step = 105300 step time: 00:00:00.345835 Performance: 32.410 ns/day 0.741 hours/ns 1.876 steps/s 2024-05-18 10:15:28,163 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 105300 21060 71.297 -28444 7814.2 -36259 -36259 3.4581 -3.8512 -0.45846 1.9966e+05 2024-05-18 10:16:03,001 INFO [main.py:798]
{rank 0/64} MD step = 105400 step time: 00:00:00.348349 Performance: 32.413 ns/day 0.740 hours/ns 1.876 steps/s 2024-05-18 10:16:10,178 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 105400 21080 70.681 -28509 7746.7 -36256 -36256 3.4607 -3.8541 -0.45882 1.9983e+05 2024-05-18 10:16:46,919 INFO [main.py:798]
{rank 0/64} MD step = 105500 step time: 00:00:00.373032 Performance: 32.418 ns/day 0.740 hours/ns 1.876 steps/s 2024-05-18 10:16:54,682 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 105500 21100 69.458 -28623 7612.7 -36235 -36235 3.4649 -3.8578 -0.45982 2e+05 2024-05-18 10:17:29,708 INFO [main.py:798]
{rank 0/64} MD step = 105600 step time: 00:00:00.352526 Performance: 32.424 ns/day 0.740 hours/ns 1.876 steps/s 2024-05-18 10:17:53,003 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 105600 21120 69.707 -28422 7640 -36062 -36062 3.4707 -3.8614 -0.4593 2.002e+05 2024-05-18 10:18:27,562 INFO [main.py:798]
{rank 0/64} MD step = 105700 step time: 00:00:00.348242 Performance: 32.422 ns/day 0.740 hours/ns 1.876 steps/s 2024-05-18 10:18:37,235 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 105700 21140 70.278 -28422 7702.5 -36124 -36124 3.4748 -3.8647 -0.46025 2.0041e+05 2024-05-18 10:19:12,580 INFO [main.py:798]
{rank 0/64} MD step = 105800 step time: 00:00:00.350812 Performance: 32.426 ns/day 0.740 hours/ns 1.877 steps/s 2024-05-18 10:19:22,917 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 105800 21160 70.201 -28445 7694.1 -36139 -36139 3.4768 -3.8696 -0.46037 2.0056e+05 2024-05-18 10:19:57,769 INFO [main.py:798]
{rank 0/64} MD step = 105900 step time: 00:00:00.342207 Performance: 32.431 ns/day 0.740 hours/ns 1.877 steps/s 2024-05-18 10:20:10,033 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 105900 21180 69.937 -28623 7665.2 -36288 -36288 3.481 -3.8732 -0.46162 2.0069e+05 2024-05-18 10:20:44,779 INFO [main.py:798]
{rank 0/64} MD step = 106000 step time: 00:00:00.353834 Performance: 32.435 ns/day 0.740 hours/ns 1.877 steps/s 2024-05-18 10:21:00,695 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106000 21200 70.672 -28353 7745.7 -36099 -36099 3.4852 -3.8774 -0.46125 2.0094e+05 2024-05-18 10:21:35,040 INFO [main.py:798]
{rank 0/64} MD step = 106100 step time: 00:00:00.346710 Performance: 32.436 ns/day 0.740 hours/ns 1.877 steps/s 2024-05-18 10:21:56,189 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106100 21220 69.412 -28491 7607.6 -36099 -36099 3.489 -3.8799 -0.4604 2.0115e+05 2024-05-18 10:22:30,743 INFO [main.py:798]
{rank 0/64} MD step = 106200 step time: 00:00:00.345606 Performance: 32.435 ns/day 0.740 hours/ns 1.877 steps/s 2024-05-18 10:22:38,664 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106200 21240 69.789 -28626 7649 -36275 -36275 3.4929 -3.8847 -0.46114 2.0127e+05 2024-05-18 10:23:13,261 INFO [main.py:798]
{rank 0/64} MD step = 106300 step time: 00:00:00.351775 Performance: 32.441 ns/day 0.740 hours/ns 1.877 steps/s 2024-05-18 10:23:21,591 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106300 21260 69.256 -28692 7590.6 -36282 -36282 3.4956 -3.8895 -0.46138 2.0144e+05 2024-05-18 10:23:56,037 INFO [main.py:798]
{rank 0/64} MD step = 106400 step time: 00:00:00.327183 Performance: 32.447 ns/day 0.740 hours/ns 1.878 steps/s 2024-05-18 10:24:14,501 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106400 21280 69.826 -28562 7653 -36215 -36215 3.4995 -3.8951 -0.46318 2.0164e+05 2024-05-18 10:24:48,627 INFO [main.py:798]
{rank 0/64} MD step = 106500 step time: 00:00:00.347357 Performance: 32.448 ns/day 0.740 hours/ns 1.878 steps/s 2024-05-18 10:24:55,620 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106500 21300 70.294 -28517 7704.3 -36221 -36221 3.5036 -3.8998 -0.46328 2.0182e+05 2024-05-18 10:25:31,462 INFO [main.py:798]
{rank 0/64} MD step = 106600 step time: 00:00:00.351014 Performance: 32.453 ns/day 0.740 hours/ns 1.878 steps/s 2024-05-18 10:25:40,590 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106600 21320 70.246 -28355 7699.1 -36054 -36054 3.5093 -3.9044 -0.46304 2.0203e+05 2024-05-18 10:26:14,975 INFO [main.py:798]
{rank 0/64} MD step = 106700 step time: 00:00:00.367573 Performance: 32.459 ns/day 0.739 hours/ns 1.878 steps/s 2024-05-18 10:26:21,404 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106700 21340 70.54 -28390 7731.3 -36121 -36121 3.511 -3.9098 -0.46372 2.0225e+05 2024-05-18 10:26:55,243 INFO [main.py:798]
{rank 0/64} MD step = 106800 step time: 00:00:00.355692 Performance: 32.466 ns/day 0.739 hours/ns 1.879 steps/s 2024-05-18 10:27:00,696 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106800 21360 68.843 -28522 7545.3 -36067 -36067 3.5148 -3.9141 -0.46384 2.0243e+05 2024-05-18 10:27:35,112 INFO [main.py:798]
{rank 0/64} MD step = 106900 step time: 00:00:00.355096 Performance: 32.474 ns/day 0.739 hours/ns 1.879 steps/s 2024-05-18 10:27:41,127 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106900 21380 69.446 -28544 7611.3 -36156 -36156 3.5184 -3.9181 -0.46307 2.0259e+05 2024-05-18 10:28:15,134 INFO [main.py:798]
{rank 0/64} MD step = 107000 step time: 00:00:00.340411 Performance: 32.482 ns/day 0.739 hours/ns 1.880 steps/s 2024-05-18 10:28:19,804 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 107000 21400 70.85 -28355 7765.3 -36120 -36120 3.5218 -3.9228 -0.4631 2.028e+05 2024-05-18 10:28:54,862 INFO [main.py:798]
{rank 0/64} MD step = 107100 step time: 00:00:00.354826 Performance: 32.489 ns/day 0.739 hours/ns 1.880 steps/s 2024-05-18 10:29:00,618 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 107100 21420 70.778 -28373 7757.3 -36131 -36131 3.5261 -3.9262 -0.46362 2.0299e+05 2024-05-18 10:29:34,729 INFO [main.py:798]
{rank 0/64} MD step = 107200 step time: 00:00:00.353486 Performance: 32.497 ns/day 0.739 hours/ns 1.881 steps/s 2024-05-18 10:29:40,525 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 107200 21440 69.674 -28580 7636.3 -36216 -36216 3.5309 -3.9314 -0.46475 2.0315e+05 2024-05-18 10:30:15,085 INFO [main.py:798]
{rank 0/64} MD step = 107300 step time: 00:00:00.365117 Performance: 32.504 ns/day 0.738 hours/ns 1.881 steps/s 2024-05-18 10:30:20,723 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 107300 21460 70.417 -28295 7717.8 -36012 -36012 3.5358 -3.9374 -0.46377 2.0338e+05 2024-05-18 10:30:54,322 INFO [main.py:798]
{rank 0/64} MD step = 107400 step time: 00:00:00.328654 Performance: 32.512 ns/day 0.738 hours/ns 1.881 steps/s 2024-05-18 10:31:00,098 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 107400 21480 69.02 -28648 7564.7 -36213 -36213 3.5414 -3.9419 -0.46225 2.0353e+05 2024-05-18 10:31:34,147 INFO [main.py:798]
{rank 0/64} MD step = 107500 step time: 00:00:00.349354 Performance: 32.520 ns/day 0.738 hours/ns 1.882 steps/s 2024-05-18 10:31:39,650 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 107500 21500 69.98 -28503 7669.8 -36172 -36172 3.5466 -3.9461 -0.46241 2.0371e+05 2024-05-18 10:32:13,445 INFO [main.py:798]
{rank 0/64} MD step = 107600 step time: 00:00:00.341689 Performance: 32.528 ns/day 0.738 hours/ns 1.882 steps/s 2024-05-18 10:32:19,723 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 107600 21520 69.032 -28769 7566 -36335 -36335 3.5519 -3.9499 -0.46231 2.0386e+05 2024-05-18 10:32:53,797 INFO [main.py:798]
{rank 0/64} MD step = 107700 step time: 00:00:00.351013 Performance: 32.535 ns/day 0.738 hours/ns 1.883 steps/s 2024-05-18 10:33:00,557 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 107700 21540 69.703 -28586 7639.6 -36226 -36226 3.5547 -3.9532 -0.46366 2.0413e+05 2024-05-18 10:33:34,588 INFO [main.py:798]
{rank 0/64} MD step = 107800 step time: 00:00:00.341829 Performance: 32.542 ns/day 0.738 hours/ns 1.883 steps/s 2024-05-18 10:33:41,439 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 107800 21560 70.102 -28394 7683.2 -36078 -36078 3.5565 -3.9566 -0.46291 2.0432e+05 2024-05-18 10:34:15,594 INFO [main.py:798]
{rank 0/64} MD step = 107900 step time: 00:00:00.340825 Performance: 32.549 ns/day 0.737 hours/ns 1.884 steps/s 2024-05-18 10:34:23,268 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 107900 21580 70.226 -28465 7696.9 -36161 -36161 3.56 -3.9628 -0.46279 2.045e+05 2024-05-18 10:34:57,784 INFO [main.py:798]
{rank 0/64} MD step = 108000 step time: 00:00:00.351855 Performance: 32.555 ns/day 0.737 hours/ns 1.884 steps/s 2024-05-18 10:35:04,080 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 108000 21600 70.697 -28541 7748.5 -36290 -36290 3.5629 -3.966 -0.46227 2.047e+05 2024-05-18 10:35:38,551 INFO [main.py:798]
{rank 0/64} MD step = 108100 step time: 00:00:00.359780 Performance: 32.562 ns/day 0.737 hours/ns 1.884 steps/s 2024-05-18 10:35:46,001 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 108100 21620 69.918 -28592 7663.1 -36255 -36255 3.5644 -3.9718 -0.46079 2.0488e+05 2024-05-18 10:36:20,376 INFO [main.py:798]
{rank 0/64} MD step = 108200 step time: 00:00:00.351312 Performance: 32.568 ns/day 0.737 hours/ns 1.885 steps/s 2024-05-18 10:36:27,272 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 108200 21640 69.793 -28441 7649.4 -36091 -36091 3.5662 -3.9759 -0.46071 2.0509e+05 2024-05-18 10:37:01,199 INFO [main.py:798]
{rank 0/64} MD step = 108300 step time: 00:00:00.347298 Performance: 32.575 ns/day 0.737 hours/ns 1.885 steps/s 2024-05-18 10:37:08,873 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 108300 21660 71.238 -28323 7807.8 -36131 -36131 3.5694 -3.9796 -0.46062 2.0525e+05 2024-05-18 10:37:43,580 INFO [main.py:798]
{rank 0/64} MD step = 108400 step time: 00:00:00.358241 Performance: 32.581 ns/day 0.737 hours/ns 1.885 steps/s 2024-05-18 10:37:51,972 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 108400 21680 69.797 -28568 7649.9 -36218 -36218 3.5743 -3.9849 -0.46042 2.0543e+05 2024-05-18 10:38:26,552 INFO [main.py:798]
{rank 0/64} MD step = 108500 step time: 00:00:00.356506 Performance: 32.587 ns/day 0.736 hours/ns 1.886 steps/s 2024-05-18 10:38:33,553 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 108500 21700 69.015 -28676 7564.1 -36240 -36240 3.5775 -3.9888 -0.45905 2.0567e+05 2024-05-18 10:39:08,258 INFO [main.py:798]
{rank 0/64} MD step = 108600 step time: 00:00:00.348314 Performance: 32.593 ns/day 0.736 hours/ns 1.886 steps/s 2024-05-18 10:39:28,068 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 108600 21720 69.153 -28666 7579.2 -36245 -36245 3.5815 -3.9923 -0.46039 2.0582e+05 2024-05-18 10:40:02,563 INFO [main.py:798]
{rank 0/64} MD step = 108700 step time: 00:00:00.354683 Performance: 32.593 ns/day 0.736 hours/ns 1.886 steps/s 2024-05-18 10:40:16,003 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 108700 21740 69.66 -28526 7634.8 -36161 -36161 3.5831 -3.9982 -0.45966 2.0604e+05 2024-05-18 10:40:50,390 INFO [main.py:798]
{rank 0/64} MD step = 108800 step time: 00:00:00.326630 Performance: 32.596 ns/day 0.736 hours/ns 1.886 steps/s 2024-05-18 10:41:04,529 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 108800 21760 69.863 -28473 7657.1 -36131 -36131 3.587 -4.002 -0.46032 2.0625e+05 2024-05-18 10:41:38,706 INFO [main.py:798]
{rank 0/64} MD step = 108900 step time: 00:00:00.344193 Performance: 32.598 ns/day 0.736 hours/ns 1.886 steps/s 2024-05-18 10:41:54,076 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 108900 21780 69.624 -28499 7630.9 -36130 -36130 3.5904 -4.0052 -0.45986 2.0645e+05 2024-05-18 10:42:28,543 INFO [main.py:798]
{rank 0/64} MD step = 109000 step time: 00:00:00.351362 Performance: 32.600 ns/day 0.736 hours/ns 1.887 steps/s 2024-05-18 10:42:37,221 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 109000 21800 70.433 -28438 7719.6 -36157 -36157 3.5939 -4.0074 -0.45942 2.0662e+05 2024-05-18 10:43:13,719 INFO [main.py:798]
{rank 0/64} MD step = 109100 step time: 00:00:00.353800 Performance: 32.604 ns/day 0.736 hours/ns 1.887 steps/s 2024-05-18 10:43:24,425 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 109100 21820 70.021 -28442 7674.4 -36116 -36116 3.5984 -4.0128 -0.45949 2.0681e+05 2024-05-18 10:43:58,820 INFO [main.py:798]
{rank 0/64} MD step = 109200 step time: 00:00:00.355600 Performance: 32.609 ns/day 0.736 hours/ns 1.887 steps/s 2024-05-18 10:44:06,564 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 109200 21840 69.897 -28599 7660.8 -36260 -36260 3.6001 -4.0174 -0.45906 2.0697e+05 2024-05-18 10:44:40,859 INFO [main.py:798]
{rank 0/64} MD step = 109300 step time: 00:00:00.356801 Performance: 32.615 ns/day 0.736 hours/ns 1.887 steps/s 2024-05-18 10:44:49,105 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 109300 21860 70.648 -28364 7743.1 -36107 -36107 3.6003 -4.0219 -0.45766 2.0719e+05 2024-05-18 10:45:23,462 INFO [main.py:798]
{rank 0/64} MD step = 109400 step time: 00:00:00.351415 Performance: 32.621 ns/day 0.736 hours/ns 1.888 steps/s 2024-05-18 10:45:33,317 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 109400 21880 68.864 -28719 7547.6 -36267 -36267 3.6012 -4.0255 -0.45862 2.0737e+05 2024-05-18 10:46:08,022 INFO [main.py:798]
{rank 0/64} MD step = 109500 step time: 00:00:00.335692 Performance: 32.626 ns/day 0.736 hours/ns 1.888 steps/s 2024-05-18 10:46:15,230 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 109500 21900 69.768 -28580 7646.7 -36226 -36226 3.6038 -4.0299 -0.45873 2.0754e+05 2024-05-18 10:46:51,673 INFO [main.py:798]
{rank 0/64} MD step = 109600 step time: 00:00:00.351721 Performance: 32.631 ns/day 0.736 hours/ns 1.888 steps/s 2024-05-18 10:46:57,764 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 109600 21920 69.649 -28684 7633.7 -36317 -36317 3.607 -4.0339 -0.4578 2.0774e+05 2024-05-18 10:47:30,445 INFO [main.py:798]
{rank 0/64} MD step = 109700 step time: 00:00:00.326177 Performance: 32.639 ns/day 0.735 hours/ns 1.889 steps/s 2024-05-18 10:47:37,616 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 109700 21940 69.83 -28472 7653.4 -36125 -36125 3.6102 -4.0394 -0.45796 2.0794e+05 2024-05-18 10:48:12,357 INFO [main.py:798]
{rank 0/64} MD step = 109800 step time: 00:00:00.324951 Performance: 32.645 ns/day 0.735 hours/ns 1.889 steps/s 2024-05-18 10:48:20,908 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 109800 21960 70.211 -28603 7695.2 -36298 -36298 3.6139 -4.0432 -0.45713 2.0815e+05 2024-05-18 10:48:55,628 INFO [main.py:798]
{rank 0/64} MD step = 109900 step time: 00:00:00.326743 Performance: 32.650 ns/day 0.735 hours/ns 1.889 steps/s 2024-05-18 10:49:04,348 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 109900 21980 70.212 -28531 7695.3 -36226 -36226 3.6166 -4.0471 -0.45778 2.0834e+05 2024-05-18 10:49:38,382 INFO [main.py:798]
{rank 0/64} MD step = 110000 step time: 00:00:00.327195 Performance: 32.656 ns/day 0.735 hours/ns 1.890 steps/s 2024-05-18 10:49:42,887 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110000 22000 69.968 -28639 7668.6 -36308 -36308 3.6212 -4.0532 -0.45789 2.085e+05 2024-05-18 10:50:18,886 INFO [main.py:798]
{rank 0/64} MD step = 110100 step time: 00:00:00.326435 Performance: 32.663 ns/day 0.735 hours/ns 1.890 steps/s 2024-05-18 10:50:27,213 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110100 22020 70.035 -28564 7675.9 -36240 -36240 3.6239 -4.0561 -0.45783 2.0868e+05 2024-05-18 10:51:01,836 INFO [main.py:798]
{rank 0/64} MD step = 110200 step time: 00:00:00.325465 Performance: 32.669 ns/day 0.735 hours/ns 1.891 steps/s 2024-05-18 10:51:11,426 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110200 22040 70.917 -28427 7772.6 -36199 -36199 3.6257 -4.0615 -0.45734 2.0889e+05 2024-05-18 10:51:45,963 INFO [main.py:798]
{rank 0/64} MD step = 110300 step time: 00:00:00.349576 Performance: 32.674 ns/day 0.735 hours/ns 1.891 steps/s 2024-05-18 10:51:53,922 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110300 22060 69.968 -28414 7668.6 -36083 -36083 3.627 -4.0659 -0.456 2.0911e+05 2024-05-18 10:52:27,704 INFO [main.py:798]
{rank 0/64} MD step = 110400 step time: 00:00:00.344207 Performance: 32.680 ns/day 0.734 hours/ns 1.891 steps/s 2024-05-18 10:52:35,098 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110400 22080 69.964 -28572 7668.2 -36240 -36240 3.6286 -4.0696 -0.45557 2.0931e+05 2024-05-18 10:53:10,569 INFO [main.py:798]
{rank 0/64} MD step = 110500 step time: 00:00:00.357496 Performance: 32.685 ns/day 0.734 hours/ns 1.892 steps/s 2024-05-18 10:53:18,711 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110500 22100 70.691 -28432 7747.9 -36180 -36180 3.6308 -4.0728 -0.45514 2.095e+05 2024-05-18 10:53:53,164 INFO [main.py:798]
{rank 0/64} MD step = 110600 step time: 00:00:00.332009 Performance: 32.691 ns/day 0.734 hours/ns 1.892 steps/s 2024-05-18 10:54:00,251 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110600 22120 69.999 -28353 7672 -36025 -36025 3.6335 -4.0769 -0.45546 2.0971e+05 2024-05-18 10:54:34,822 INFO [main.py:798]
{rank 0/64} MD step = 110700 step time: 00:00:00.340848 Performance: 32.697 ns/day 0.734 hours/ns 1.892 steps/s 2024-05-18 10:54:45,289 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110700 22140 70.728 -28492 7751.9 -36244 -36244 3.6377 -4.0812 -0.45471 2.0987e+05 2024-05-18 10:55:19,758 INFO [main.py:798]
{rank 0/64} MD step = 110800 step time: 00:00:00.326558 Performance: 32.702 ns/day 0.734 hours/ns 1.892 steps/s 2024-05-18 10:55:30,067 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110800 22160 69.866 -28509 7657.4 -36167 -36167 3.6421 -4.0833 -0.4561 2.1005e+05 2024-05-18 10:56:04,915 INFO [main.py:798]
{rank 0/64} MD step = 110900 step time: 00:00:00.354819 Performance: 32.706 ns/day 0.734 hours/ns 1.893 steps/s 2024-05-18 10:56:13,647 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110900 22180 70.678 -28424 7746.4 -36170 -36170 3.6454 -4.0867 -0.45556 2.1027e+05 2024-05-18 10:56:49,910 INFO [main.py:798]
{rank 0/64} MD step = 111000 step time: 00:00:00.341337 Performance: 32.710 ns/day 0.734 hours/ns 1.893 steps/s 2024-05-18 10:56:57,983 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 111000 22200 69.883 -28518 7659.3 -36177 -36177 3.6479 -4.09 -0.45422 2.1046e+05 2024-05-18 10:57:32,157 INFO [main.py:798]
{rank 0/64} MD step = 111100 step time: 00:00:00.339965 Performance: 32.716 ns/day 0.734 hours/ns 1.893 steps/s 2024-05-18 10:57:46,248 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 111100 22220 69.314 -28719 7596.9 -36316 -36316 3.6517 -4.0948 -0.45282 2.1063e+05 2024-05-18 10:58:20,445 INFO [main.py:798]
{rank 0/64} MD step = 111200 step time: 00:00:00.344004 Performance: 32.719 ns/day 0.734 hours/ns 1.893 steps/s 2024-05-18 10:58:34,240 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 111200 22240 70.558 -28491 7733.3 -36225 -36225 3.6533 -4.0992 -0.45377 2.1079e+05 2024-05-18 10:59:08,547 INFO [main.py:798]
{rank 0/64} MD step = 111300 step time: 00:00:00.354005 Performance: 32.722 ns/day 0.733 hours/ns 1.894 steps/s 2024-05-18 10:59:19,222 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 111300 22260 69.028 -28542 7565.6 -36108 -36108 3.6554 -4.1029 -0.45373 2.11e+05 2024-05-18 10:59:56,962 INFO [main.py:798]
{rank 0/64} MD step = 111400 step time: 00:00:00.347126 Performance: 32.724 ns/day 0.733 hours/ns 1.894 steps/s 2024-05-18 11:00:09,421 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 111400 22280 70.389 -28458 7714.8 -36173 -36173 3.6595 -4.106 -0.45443 2.1118e+05 2024-05-18 11:00:46,143 INFO [main.py:798]
{rank 0/64} MD step = 111500 step time: 00:00:00.327725 Performance: 32.726 ns/day 0.733 hours/ns 1.894 steps/s 2024-05-18 11:00:55,342 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 111500 22300 68.928 -28826 7554.6 -36381 -36381 3.6594 -4.1108 -0.45325 2.113e+05 2024-05-18 11:01:30,476 INFO [main.py:798]
{rank 0/64} MD step = 111600 step time: 00:00:00.325121 Performance: 32.731 ns/day 0.733 hours/ns 1.894 steps/s 2024-05-18 11:01:43,144 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 111600 22320 70.07 -28532 7679.7 -36212 -36212 3.6635 -4.1142 -0.45253 2.1154e+05 2024-05-18 11:02:17,700 INFO [main.py:798]
{rank 0/64} MD step = 111700 step time: 00:00:00.351539 Performance: 32.734 ns/day 0.733 hours/ns 1.894 steps/s 2024-05-18 11:02:29,604 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 111700 22340 70.489 -28523 7725.7 -36249 -36249 3.6645 -4.1185 -0.45147 2.117e+05 2024-05-18 11:03:04,208 INFO [main.py:798]
{rank 0/64} MD step = 111800 step time: 00:00:00.346998 Performance: 32.737 ns/day 0.733 hours/ns 1.895 steps/s 2024-05-18 11:03:12,868 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 111800 22360 69.353 -28720 7601.2 -36321 -36321 3.6676 -4.1239 -0.45203 2.1187e+05 2024-05-18 11:03:46,335 INFO [main.py:798]
{rank 0/64} MD step = 111900 step time: 00:00:00.327733 Performance: 32.743 ns/day 0.733 hours/ns 1.895 steps/s 2024-05-18 11:03:55,227 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 111900 22380 69.873 -28574 7658.2 -36232 -36232 3.6708 -4.1275 -0.45118 2.1208e+05 2024-05-18 11:04:29,128 INFO [main.py:798]
{rank 0/64} MD step = 112000 step time: 00:00:00.351921 Performance: 32.749 ns/day 0.733 hours/ns 1.895 steps/s 2024-05-18 11:04:35,076 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 112000 22400 71.034 -28486 7785.4 -36271 -36271 3.6723 -4.1316 -0.45046 2.1224e+05 2024-05-18 11:05:09,687 INFO [main.py:798]
{rank 0/64} MD step = 112100 step time: 00:00:00.351301 Performance: 32.755 ns/day 0.733 hours/ns 1.896 steps/s 2024-05-18 11:05:15,210 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 112100 22420 69.24 -28683 7588.8 -36272 -36272 3.674 -4.1353 -0.45214 2.1242e+05 2024-05-18 11:05:49,419 INFO [main.py:798]
{rank 0/64} MD step = 112200 step time: 00:00:00.359599 Performance: 32.763 ns/day 0.733 hours/ns 1.896 steps/s 2024-05-18 11:05:56,231 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 112200 22440 69.957 -28540 7667.3 -36207 -36207 3.6767 -4.1383 -0.45185 2.126e+05 2024-05-18 11:06:31,303 INFO [main.py:798]
{rank 0/64} MD step = 112300 step time: 00:00:00.372228 Performance: 32.769 ns/day 0.732 hours/ns 1.896 steps/s 2024-05-18 11:06:38,367 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 112300 22460 69.539 -28625 7621.6 -36247 -36247 3.6779 -4.1415 -0.45279 2.1279e+05 2024-05-18 11:07:12,761 INFO [main.py:798]
{rank 0/64} MD step = 112400 step time: 00:00:00.370812 Performance: 32.775 ns/day 0.732 hours/ns 1.897 steps/s 2024-05-18 11:07:18,889 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 112400 22480 70.51 -28474 7728 -36202 -36202 3.6787 -4.1463 -0.45388 2.1296e+05 2024-05-18 11:07:53,050 INFO [main.py:798]
{rank 0/64} MD step = 112500 step time: 00:00:00.338739 Performance: 32.782 ns/day 0.732 hours/ns 1.897 steps/s 2024-05-18 11:07:58,875 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 112500 22500 70.219 -28471 7696.1 -36167 -36167 3.679 -4.1498 -0.45549 2.1314e+05 2024-05-18 11:08:33,464 INFO [main.py:798]
{rank 0/64} MD step = 112600 step time: 00:00:00.370223 Performance: 32.789 ns/day 0.732 hours/ns 1.897 steps/s 2024-05-18 11:08:39,047 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 112600 22520 70.254 -28541 7699.9 -36241 -36241 3.6813 -4.1532 -0.45522 2.1333e+05 2024-05-18 11:09:13,399 INFO [main.py:798]
{rank 0/64} MD step = 112700 step time: 00:00:00.339030 Performance: 32.796 ns/day 0.732 hours/ns 1.898 steps/s 2024-05-18 11:09:24,947 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 112700 22540 70.138 -28646 7687.2 -36333 -36333 3.6839 -4.158 -0.4546 2.1349e+05 2024-05-18 11:09:58,983 INFO [main.py:798]
{rank 0/64} MD step = 112800 step time: 00:00:00.341504 Performance: 32.800 ns/day 0.732 hours/ns 1.898 steps/s 2024-05-18 11:10:16,190 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 112800 22560 70.335 -28476 7708.8 -36185 -36185 3.6864 -4.162 -0.45593 2.1372e+05 2024-05-18 11:10:50,510 INFO [main.py:798]
{rank 0/64} MD step = 112900 step time: 00:00:00.353769 Performance: 32.800 ns/day 0.732 hours/ns 1.898 steps/s 2024-05-18 11:10:55,843 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 112900 22580 69.362 -28748 7602.2 -36350 -36350 3.6878 -4.1666 -0.4558 2.1385e+05 2024-05-18 11:11:30,608 INFO [main.py:798]
{rank 0/64} MD step = 113000 step time: 00:00:00.349087 Performance: 32.807 ns/day 0.732 hours/ns 1.899 steps/s 2024-05-18 11:11:36,744 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 113000 22600 70.739 -28531 7753.1 -36284 -36284 3.69 -4.172 -0.45579 2.1406e+05 2024-05-18 11:12:11,116 INFO [main.py:798]
{rank 0/64} MD step = 113100 step time: 00:00:00.352479 Performance: 32.814 ns/day 0.731 hours/ns 1.899 steps/s 2024-05-18 11:12:16,954 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 113100 22620 70.013 -28575 7673.5 -36249 -36249 3.6936 -4.175 -0.45509 2.1428e+05 2024-05-18 11:12:51,873 INFO [main.py:798]
{rank 0/64} MD step = 113200 step time: 00:00:00.354423 Performance: 32.820 ns/day 0.731 hours/ns 1.899 steps/s 2024-05-18 11:13:00,692 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 113200 22640 69.82 -28643 7652.4 -36296 -36296 3.6962 -4.1807 -0.45443 2.1444e+05 2024-05-18 11:13:35,659 INFO [main.py:798]
{rank 0/64} MD step = 113300 step time: 00:00:00.349040 Performance: 32.825 ns/day 0.731 hours/ns 1.900 steps/s 2024-05-18 11:13:48,501 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 113300 22660 69.66 -28628 7634.8 -36263 -36263 3.6989 -4.1857 -0.45324 2.1467e+05 2024-05-18 11:14:22,552 INFO [main.py:798]
{rank 0/64} MD step = 113400 step time: 00:00:00.340830 Performance: 32.828 ns/day 0.731 hours/ns 1.900 steps/s 2024-05-18 11:14:31,234 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 113400 22680 69.363 -28684 7602.2 -36287 -36287 3.6998 -4.1894 -0.45196 2.1487e+05 2024-05-18 11:15:05,526 INFO [main.py:798]
{rank 0/64} MD step = 113500 step time: 00:00:00.343108 Performance: 32.834 ns/day 0.731 hours/ns 1.900 steps/s 2024-05-18 11:15:16,996 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 113500 22700 69.683 -28653 7637.3 -36290 -36290 3.7021 -4.1933 -0.4529 2.1506e+05 2024-05-18 11:15:53,719 INFO [main.py:798]
{rank 0/64} MD step = 113600 step time: 00:00:00.370543 Performance: 32.836 ns/day 0.731 hours/ns 1.900 steps/s 2024-05-18 11:16:02,111 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 113600 22720 69.458 -28492 7612.7 -36105 -36105 3.705 -4.1985 -0.45385 2.1529e+05 2024-05-18 11:16:36,523 INFO [main.py:798]
{rank 0/64} MD step = 113700 step time: 00:00:00.327816 Performance: 32.842 ns/day 0.731 hours/ns 1.901 steps/s 2024-05-18 11:16:44,402 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 113700 22740 68.97 -28613 7559.2 -36172 -36172 3.7075 -4.2016 -0.45403 2.1546e+05 2024-05-18 11:17:18,783 INFO [main.py:798]
{rank 0/64} MD step = 113800 step time: 00:00:00.328384 Performance: 32.847 ns/day 0.731 hours/ns 1.901 steps/s 2024-05-18 11:17:29,726 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 113800 22760 69.924 -28531 7663.8 -36195 -36195 3.7074 -4.2071 -0.45397 2.1565e+05 2024-05-18 11:18:03,340 INFO [main.py:798]
{rank 0/64} MD step = 113900 step time: 00:00:00.344714 Performance: 32.852 ns/day 0.731 hours/ns 1.901 steps/s 2024-05-18 11:18:14,201 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 113900 22780 69.278 -28717 7592.9 -36310 -36310 3.7113 -4.2113 -0.45269 2.1588e+05 2024-05-18 11:18:48,264 INFO [main.py:798]
{rank 0/64} MD step = 114000 step time: 00:00:00.345894 Performance: 32.856 ns/day 0.730 hours/ns 1.901 steps/s 2024-05-18 11:18:56,746 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 114000 22800 70.187 -28630 7692.6 -36323 -36323 3.7114 -4.2139 -0.4514 2.1605e+05 2024-05-18 11:19:31,261 INFO [main.py:798]
{rank 0/64} MD step = 114100 step time: 00:00:00.350340 Performance: 32.861 ns/day 0.730 hours/ns 1.902 steps/s 2024-05-18 11:19:39,303 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 114100 22820 70.443 -28293 7720.6 -36014 -36014 3.7119 -4.2191 -0.45132 2.1629e+05 2024-05-18 11:20:12,981 INFO [main.py:798]
{rank 0/64} MD step = 114200 step time: 00:00:00.325671 Performance: 32.867 ns/day 0.730 hours/ns 1.902 steps/s 2024-05-18 11:20:20,490 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 114200 22840 70.8 -28318 7759.8 -36078 -36078 3.7151 -4.2226 -0.45054 2.1648e+05 2024-05-18 11:20:55,616 INFO [main.py:798]
{rank 0/64} MD step = 114300 step time: 00:00:00.354682 Performance: 32.872 ns/day 0.730 hours/ns 1.902 steps/s 2024-05-18 11:21:03,719 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 114300 22860 69.745 -28547 7644.1 -36191 -36191 3.7183 -4.2268 -0.45123 2.1667e+05 2024-05-18 11:21:39,960 INFO [main.py:798]
{rank 0/64} MD step = 114400 step time: 00:00:00.372272 Performance: 32.877 ns/day 0.730 hours/ns 1.903 steps/s 2024-05-18 11:21:49,125 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 114400 22880 71.489 -28493 7835.3 -36328 -36328 3.7212 -4.2297 -0.45123 2.1687e+05 2024-05-18 11:22:25,889 INFO [main.py:798]
{rank 0/64} MD step = 114500 step time: 00:00:00.374577 Performance: 32.881 ns/day 0.730 hours/ns 1.903 steps/s 2024-05-18 11:22:32,040 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 114500 22900 69.734 -28610 7643 -36253 -36253 3.7244 -4.2318 -0.4503 2.1706e+05 2024-05-18 11:23:08,942 INFO [main.py:798]
{rank 0/64} MD step = 114600 step time: 00:00:00.372855 Performance: 32.886 ns/day 0.730 hours/ns 1.903 steps/s 2024-05-18 11:23:14,843 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 114600 22920 70.37 -28501 7712.6 -36213 -36213 3.7276 -4.2352 -0.45039 2.1726e+05 2024-05-18 11:23:50,689 INFO [main.py:798]
{rank 0/64} MD step = 114700 step time: 00:00:00.349562 Performance: 32.892 ns/day 0.730 hours/ns 1.903 steps/s 2024-05-18 11:23:57,350 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 114700 22940 70.28 -28596 7702.8 -36298 -36298 3.7281 -4.2392 -0.44976 2.174e+05 2024-05-18 11:24:31,719 INFO [main.py:798]
{rank 0/64} MD step = 114800 step time: 00:00:00.333221 Performance: 32.898 ns/day 0.730 hours/ns 1.904 steps/s 2024-05-18 11:24:38,774 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 114800 22960 70.364 -28681 7712 -36393 -36393 3.7304 -4.2443 -0.44902 2.1756e+05 2024-05-18 11:25:13,769 INFO [main.py:798]
{rank 0/64} MD step = 114900 step time: 00:00:00.331142 Performance: 32.904 ns/day 0.729 hours/ns 1.904 steps/s 2024-05-18 11:25:20,751 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 114900 22980 69.738 -28724 7643.3 -36367 -36367 3.7344 -4.2468 -0.44909 2.1774e+05 2024-05-18 11:25:55,487 INFO [main.py:798]
{rank 0/64} MD step = 115000 step time: 00:00:00.331390 Performance: 32.910 ns/day 0.729 hours/ns 1.904 steps/s 2024-05-18 11:26:02,415 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 115000 23000 69.435 -28746 7610.2 -36356 -36356 3.7367 -4.2515 -0.44845 2.1792e+05 2024-05-18 11:26:36,751 INFO [main.py:798]
{rank 0/64} MD step = 115100 step time: 00:00:00.327190 Performance: 32.916 ns/day 0.729 hours/ns 1.905 steps/s 2024-05-18 11:26:43,248 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 115100 23020 68.972 -28654 7559.5 -36214 -36214 3.7372 -4.2546 -0.44715 2.1814e+05 2024-05-18 11:27:17,747 INFO [main.py:798]
{rank 0/64} MD step = 115200 step time: 00:00:00.330131 Performance: 32.922 ns/day 0.729 hours/ns 1.905 steps/s 2024-05-18 11:27:25,219 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 115200 23040 69.481 -28706 7615.3 -36321 -36321 3.7413 -4.259 -0.44743 2.1831e+05 2024-05-18 11:27:59,201 INFO [main.py:798]
{rank 0/64} MD step = 115300 step time: 00:00:00.328857 Performance: 32.928 ns/day 0.729 hours/ns 1.906 steps/s 2024-05-18 11:28:05,953 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 115300 23060 69.444 -28577 7611.1 -36188 -36188 3.7444 -4.2627 -0.44662 2.1854e+05 2024-05-18 11:28:40,535 INFO [main.py:798]
{rank 0/64} MD step = 115400 step time: 00:00:00.325455 Performance: 32.934 ns/day 0.729 hours/ns 1.906 steps/s 2024-05-18 11:29:09,688 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 115400 23080 69.298 -28669 7595.1 -36264 -36264 3.747 -4.2675 -0.4476 2.1871e+05 2024-05-18 11:29:43,584 INFO [main.py:798]
{rank 0/64} MD step = 115500 step time: 00:00:00.336282 Performance: 32.928 ns/day 0.729 hours/ns 1.906 steps/s 2024-05-18 11:30:02,993 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 115500 23100 70.346 -28500 7710 -36210 -36210 3.7493 -4.2716 -0.44709 2.189e+05 2024-05-18 11:30:36,759 INFO [main.py:798]
{rank 0/64} MD step = 115600 step time: 00:00:00.337829 Performance: 32.928 ns/day 0.729 hours/ns 1.906 steps/s 2024-05-18 11:30:47,294 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 115600 23120 69.367 -28681 7602.7 -36284 -36284 3.7509 -4.2741 -0.44707 2.1909e+05 2024-05-18 11:31:21,929 INFO [main.py:798]
{rank 0/64} MD step = 115700 step time: 00:00:00.352340 Performance: 32.932 ns/day 0.729 hours/ns 1.906 steps/s 2024-05-18 11:31:31,459 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 115700 23140 69.496 -28563 7616.9 -36180 -36180 3.7538 -4.2794 -0.44654 2.1924e+05 2024-05-18 11:32:06,116 INFO [main.py:798]
{rank 0/64} MD step = 115800 step time: 00:00:00.327443 Performance: 32.936 ns/day 0.729 hours/ns 1.906 steps/s 2024-05-18 11:32:16,993 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 115800 23160 69.377 -28643 7603.8 -36246 -36246 3.7541 -4.2825 -0.44831 2.1944e+05 2024-05-18 11:32:52,577 INFO [main.py:798]
{rank 0/64} MD step = 115900 step time: 00:00:00.327039 Performance: 32.940 ns/day 0.729 hours/ns 1.906 steps/s 2024-05-18 11:32:59,336 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 115900 23180 71.455 -28478 7831.6 -36309 -36309 3.7571 -4.2848 -0.44728 2.196e+05 2024-05-18 11:33:34,404 INFO [main.py:798]
{rank 0/64} MD step = 116000 step time: 00:00:00.326317 Performance: 32.945 ns/day 0.728 hours/ns 1.907 steps/s 2024-05-18 11:33:43,120 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 116000 23200 68.856 -28687 7546.7 -36233 -36233 3.7587 -4.2882 -0.44621 2.1983e+05 2024-05-18 11:34:17,854 INFO [main.py:798]
{rank 0/64} MD step = 116100 step time: 00:00:00.350018 Performance: 32.950 ns/day 0.728 hours/ns 1.907 steps/s 2024-05-18 11:34:30,348 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 116100 23220 70.781 -28439 7757.6 -36197 -36197 3.7611 -4.2928 -0.44631 2.2002e+05 2024-05-18 11:35:05,113 INFO [main.py:798]
{rank 0/64} MD step = 116200 step time: 00:00:00.338349 Performance: 32.953 ns/day 0.728 hours/ns 1.907 steps/s 2024-05-18 11:35:17,448 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 116200 23240 69.364 -28596 7602.4 -36199 -36199 3.7638 -4.2965 -0.4462 2.2022e+05 2024-05-18 11:35:51,594 INFO [main.py:798]
{rank 0/64} MD step = 116300 step time: 00:00:00.355089 Performance: 32.956 ns/day 0.728 hours/ns 1.907 steps/s 2024-05-18 11:35:57,171 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 116300 23260 69.833 -28744 7653.7 -36398 -36398 3.7686 -4.2985 -0.44601 2.2038e+05 2024-05-18 11:36:32,823 INFO [main.py:798]
{rank 0/64} MD step = 116400 step time: 00:00:00.326855 Performance: 32.962 ns/day 0.728 hours/ns 1.908 steps/s 2024-05-18 11:36:40,506 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 116400 23280 70.453 -28528 7721.7 -36250 -36250 3.7716 -4.3027 -0.44534 2.2059e+05 2024-05-18 11:37:15,478 INFO [main.py:798]
{rank 0/64} MD step = 116500 step time: 00:00:00.326155 Performance: 32.968 ns/day 0.728 hours/ns 1.908 steps/s 2024-05-18 11:37:21,615 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 116500 23300 70.651 -28368 7743.4 -36112 -36112 3.7738 -4.3074 -0.44623 2.208e+05 2024-05-18 11:37:58,200 INFO [main.py:798]
{rank 0/64} MD step = 116600 step time: 00:00:00.368636 Performance: 32.973 ns/day 0.728 hours/ns 1.908 steps/s 2024-05-18 11:38:04,985 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 116600 23320 71.095 -28284 7792 -36076 -36076 3.7751 -4.3124 -0.44524 2.2098e+05 2024-05-18 11:38:40,739 INFO [main.py:798]
{rank 0/64} MD step = 116700 step time: 00:00:00.371884 Performance: 32.978 ns/day 0.728 hours/ns 1.908 steps/s 2024-05-18 11:38:48,178 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 116700 23340 69.983 -28605 7670.2 -36275 -36275 3.7772 -4.3162 -0.44383 2.2118e+05 2024-05-18 11:39:22,300 INFO [main.py:798]
{rank 0/64} MD step = 116800 step time: 00:00:00.331433 Performance: 32.984 ns/day 0.728 hours/ns 1.909 steps/s 2024-05-18 11:39:28,750 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 116800 23360 70.104 -28641 7683.5 -36324 -36324 3.7802 -4.3213 -0.44245 2.2137e+05 2024-05-18 11:40:03,369 INFO [main.py:798]
{rank 0/64} MD step = 116900 step time: 00:00:00.328796 Performance: 32.990 ns/day 0.727 hours/ns 1.909 steps/s 2024-05-18 11:40:09,848 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 116900 23380 70.419 -28582 7718 -36300 -36300 3.7829 -4.3258 -0.44479 2.2158e+05 2024-05-18 11:40:43,597 INFO [main.py:798]
{rank 0/64} MD step = 117000 step time: 00:00:00.331289 Performance: 32.997 ns/day 0.727 hours/ns 1.910 steps/s 2024-05-18 11:40:55,546 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 117000 23400 69.718 -28604 7641.2 -36245 -36245 3.7869 -4.3306 -0.44486 2.2179e+05 2024-05-18 11:41:38,331 INFO [main.py:798]
{rank 0/64} MD step = 117100 step time: 00:00:00.347444 Performance: 32.995 ns/day 0.727 hours/ns 1.909 steps/s 2024-05-18 11:41:46,748 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 117100 23420 70.702 -28415 7749.1 -36164 -36164 3.7892 -4.3354 -0.44292 2.2202e+05 2024-05-18 11:42:22,102 INFO [main.py:798]
{rank 0/64} MD step = 117200 step time: 00:00:00.372861 Performance: 33.000 ns/day 0.727 hours/ns 1.910 steps/s 2024-05-18 11:42:37,406 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 117200 23440 70.085 -28454 7681.4 -36136 -36136 3.7914 -4.3384 -0.44276 2.2223e+05 2024-05-18 11:43:11,580 INFO [main.py:798]
{rank 0/64} MD step = 117300 step time: 00:00:00.338568 Performance: 33.001 ns/day 0.727 hours/ns 1.910 steps/s 2024-05-18 11:43:21,454 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 117300 23460 70.199 -28447 7693.8 -36140 -36140 3.7932 -4.344 -0.44216 2.2242e+05 2024-05-18 11:43:58,991 INFO [main.py:798]
{rank 0/64} MD step = 117400 step time: 00:00:00.348318 Performance: 33.004 ns/day 0.727 hours/ns 1.910 steps/s 2024-05-18 11:44:14,152 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 117400 23480 69.533 -28500 7621 -36121 -36121 3.796 -4.3485 -0.44292 2.2264e+05 2024-05-18 11:44:48,585 INFO [main.py:798]
{rank 0/64} MD step = 117500 step time: 00:00:00.327176 Performance: 33.006 ns/day 0.727 hours/ns 1.910 steps/s 2024-05-18 11:44:58,146 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 117500 23500 69.674 -28607 7636.4 -36244 -36244 3.7971 -4.3535 -0.44166 2.2284e+05 2024-05-18 11:45:35,805 INFO [main.py:798]
{rank 0/64} MD step = 117600 step time: 00:00:00.343711 Performance: 33.008 ns/day 0.727 hours/ns 1.910 steps/s 2024-05-18 11:45:46,469 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 117600 23520 69.922 -28562 7663.5 -36225 -36225 3.8005 -4.3577 -0.44161 2.2304e+05 2024-05-18 11:46:21,050 INFO [main.py:798]
{rank 0/64} MD step = 117700 step time: 00:00:00.333007 Performance: 33.012 ns/day 0.727 hours/ns 1.910 steps/s 2024-05-18 11:46:28,888 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 117700 23540 69.343 -28587 7600.1 -36187 -36187 3.8015 -4.3634 -0.44151 2.2322e+05 2024-05-18 11:47:03,097 INFO [main.py:798]
{rank 0/64} MD step = 117800 step time: 00:00:00.339686 Performance: 33.018 ns/day 0.727 hours/ns 1.911 steps/s 2024-05-18 11:47:13,036 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 117800 23560 70.882 -28394 7768.7 -36162 -36162 3.8032 -4.3679 -0.44042 2.2339e+05 2024-05-18 11:47:47,912 INFO [main.py:798]
{rank 0/64} MD step = 117900 step time: 00:00:00.348532 Performance: 33.022 ns/day 0.727 hours/ns 1.911 steps/s 2024-05-18 11:47:56,260 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 117900 23580 70.782 -28390 7757.8 -36147 -36147 3.8056 -4.3743 -0.44088 2.236e+05 2024-05-18 11:48:31,173 INFO [main.py:798]
{rank 0/64} MD step = 118000 step time: 00:00:00.353403 Performance: 33.027 ns/day 0.727 hours/ns 1.911 steps/s 2024-05-18 11:48:49,863 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 118000 23600 69.749 -28527 7644.6 -36172 -36172 3.809 -4.3784 -0.43892 2.2377e+05 2024-05-18 11:49:24,194 INFO [main.py:798]
{rank 0/64} MD step = 118100 step time: 00:00:00.348413 Performance: 33.026 ns/day 0.727 hours/ns 1.911 steps/s 2024-05-18 11:49:36,839 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 118100 23620 68.765 -28612 7536.7 -36148 -36148 3.8101 -4.3843 -0.44103 2.2397e+05 2024-05-18 11:50:11,341 INFO [main.py:798]
{rank 0/64} MD step = 118200 step time: 00:00:00.326629 Performance: 33.029 ns/day 0.727 hours/ns 1.911 steps/s 2024-05-18 11:50:22,154 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 118200 23640 71.107 -28184 7793.4 -35978 -35978 3.8123 -4.3903 -0.44001 2.2415e+05 2024-05-18 11:50:56,424 INFO [main.py:798]
{rank 0/64} MD step = 118300 step time: 00:00:00.353381 Performance: 33.033 ns/day 0.727 hours/ns 1.912 steps/s 2024-05-18 11:51:07,130 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 118300 23660 69.88 -28516 7658.9 -36175 -36175 3.8152 -4.396 -0.4394 2.2432e+05 2024-05-18 11:51:41,743 INFO [main.py:798]
{rank 0/64} MD step = 118400 step time: 00:00:00.339095 Performance: 33.037 ns/day 0.726 hours/ns 1.912 steps/s 2024-05-18 11:51:52,604 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 118400 23680 69.673 -28613 7636.2 -36249 -36249 3.8197 -4.4015 -0.43911 2.2451e+05 2024-05-18 11:52:26,785 INFO [main.py:798]
{rank 0/64} MD step = 118500 step time: 00:00:00.348888 Performance: 33.040 ns/day 0.726 hours/ns 1.912 steps/s 2024-05-18 11:52:40,343 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 118500 23700 70.022 -28338 7674.5 -36012 -36012 3.822 -4.4074 -0.43814 2.2477e+05 2024-05-18 11:53:14,845 INFO [main.py:798]
{rank 0/64} MD step = 118600 step time: 00:00:00.365310 Performance: 33.043 ns/day 0.726 hours/ns 1.912 steps/s 2024-05-18 11:53:23,715 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 118600 23720 69.891 -28610 7660.1 -36270 -36270 3.826 -4.4137 -0.44017 2.2491e+05 2024-05-18 11:53:57,692 INFO [main.py:798]
{rank 0/64} MD step = 118700 step time: 00:00:00.339680 Performance: 33.048 ns/day 0.726 hours/ns 1.912 steps/s 2024-05-18 11:54:04,524 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 118700 23740 70.109 -28492 7684 -36176 -36176 3.8289 -4.4178 -0.43949 2.2511e+05 2024-05-18 11:54:41,924 INFO [main.py:798]
{rank 0/64} MD step = 118800 step time: 00:00:00.350538 Performance: 33.052 ns/day 0.726 hours/ns 1.913 steps/s 2024-05-18 11:54:51,071 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 118800 23760 70.558 -28416 7733.2 -36149 -36149 3.8329 -4.4232 -0.4384 2.2531e+05 2024-05-18 11:55:25,474 INFO [main.py:798]
{rank 0/64} MD step = 118900 step time: 00:00:00.338532 Performance: 33.057 ns/day 0.726 hours/ns 1.913 steps/s 2024-05-18 11:55:39,243 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 118900 23780 70.284 -28575 7703.2 -36278 -36278 3.8382 -4.4308 -0.43881 2.2548e+05 2024-05-18 11:56:14,571 INFO [main.py:798]
{rank 0/64} MD step = 119000 step time: 00:00:00.326433 Performance: 33.058 ns/day 0.726 hours/ns 1.913 steps/s 2024-05-18 11:56:24,959 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 119000 23800 70.178 -28298 7691.6 -35990 -35990 3.8404 -4.4358 -0.43829 2.2571e+05 2024-05-18 11:56:59,119 INFO [main.py:798]
{rank 0/64} MD step = 119100 step time: 00:00:00.327289 Performance: 33.062 ns/day 0.726 hours/ns 1.913 steps/s 2024-05-18 11:57:13,298 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 119100 23820 69.513 -28472 7618.7 -36091 -36091 3.8451 -4.4409 -0.43844 2.2588e+05 2024-05-18 11:57:48,675 INFO [main.py:798]
{rank 0/64} MD step = 119200 step time: 00:00:00.369287 Performance: 33.064 ns/day 0.726 hours/ns 1.913 steps/s 2024-05-18 11:58:01,707 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 119200 23840 69.085 -28604 7571.8 -36176 -36176 3.8459 -4.4443 -0.43717 2.2605e+05 2024-05-18 11:58:35,759 INFO [main.py:798]
{rank 0/64} MD step = 119300 step time: 00:00:00.349856 Performance: 33.067 ns/day 0.726 hours/ns 1.914 steps/s 2024-05-18 11:58:46,648 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 119300 23860 70.172 -28488 7690.9 -36179 -36179 3.8478 -4.4483 -0.43643 2.2622e+05 2024-05-18 11:59:20,823 INFO [main.py:798]
{rank 0/64} MD step = 119400 step time: 00:00:00.339705 Performance: 33.070 ns/day 0.726 hours/ns 1.914 steps/s 2024-05-18 11:59:37,729 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 119400 23880 70.551 -28380 7732.4 -36112 -36112 3.8503 -4.4531 -0.43684 2.2643e+05 2024-05-18 12:00:12,545 INFO [main.py:798]
{rank 0/64} MD step = 119500 step time: 00:00:00.351803 Performance: 33.071 ns/day 0.726 hours/ns 1.914 steps/s 2024-05-18 12:00:22,457 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 119500 23900 69.602 -28243 7628.4 -35872 -35872 3.8514 -4.4575 -0.43572 2.2666e+05 2024-05-18 12:00:57,162 INFO [main.py:798]
{rank 0/64} MD step = 119600 step time: 00:00:00.327319 Performance: 33.075 ns/day 0.726 hours/ns 1.914 steps/s 2024-05-18 12:01:05,438 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 119600 23920 69.962 -28490 7667.9 -36158 -36158 3.8531 -4.4635 -0.43515 2.2682e+05 2024-05-18 12:01:40,432 INFO [main.py:798]
{rank 0/64} MD step = 119700 step time: 00:00:00.327373 Performance: 33.079 ns/day 0.726 hours/ns 1.914 steps/s 2024-05-18 12:01:49,904 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 119700 23940 70.777 -28214 7757.2 -35971 -35971 3.8547 -4.4662 -0.43473 2.2703e+05 2024-05-18 12:02:24,146 INFO [main.py:798]
{rank 0/64} MD step = 119800 step time: 00:00:00.378113 Performance: 33.084 ns/day 0.725 hours/ns 1.915 steps/s 2024-05-18 12:02:32,018 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 119800 23960 70.249 -28404 7699.3 -36104 -36104 3.8566 -4.4711 -0.43363 2.2719e+05 2024-05-18 12:03:06,540 INFO [main.py:798]
{rank 0/64} MD step = 119900 step time: 00:00:00.356239 Performance: 33.089 ns/day 0.725 hours/ns 1.915 steps/s 2024-05-18 12:03:13,377 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 119900 23980 70.078 -28220 7680.7 -35900 -35900 3.8596 -4.4741 -0.43379 2.2742e+05 2024-05-18 12:03:48,062 INFO [main.py:798]
{rank 0/64} MD step = 120000 step time: 00:00:00.338589 Performance: 33.095 ns/day 0.725 hours/ns 1.915 steps/s 2024-05-18 12:03:55,941 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120000 24000 68.329 -28456 7489 -35945 -35945 3.8629 -4.4794 -0.43291 2.2764e+05 2024-05-18 12:04:30,644 INFO [main.py:798]
{rank 0/64} MD step = 120100 step time: 00:00:00.355219 Performance: 33.100 ns/day 0.725 hours/ns 1.916 steps/s 2024-05-18 12:04:39,508 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120100 24020 69.349 -28399 7600.7 -36000 -36000 3.8667 -4.4843 -0.4322 2.2775e+05 2024-05-18 12:05:13,771 INFO [main.py:798]
{rank 0/64} MD step = 120200 step time: 00:00:00.339594 Performance: 33.105 ns/day 0.725 hours/ns 1.916 steps/s 2024-05-18 12:05:22,252 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120200 24040 70.878 -28139 7768.3 -35908 -35908 3.8704 -4.4884 -0.43131 2.2798e+05 2024-05-18 12:05:56,912 INFO [main.py:798]
{rank 0/64} MD step = 120300 step time: 00:00:00.348835 Performance: 33.109 ns/day 0.725 hours/ns 1.916 steps/s 2024-05-18 12:06:04,944 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120300 24060 69.319 -28406 7597.4 -36003 -36003 3.8729 -4.4924 -0.43047 2.282e+05 2024-05-18 12:06:39,785 INFO [main.py:798]
{rank 0/64} MD step = 120400 step time: 00:00:00.353937 Performance: 33.114 ns/day 0.725 hours/ns 1.916 steps/s 2024-05-18 12:06:49,710 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120400 24080 70.198 -28521 7693.8 -36215 -36215 3.8753 -4.4968 -0.42933 2.284e+05 2024-05-18 12:07:23,840 INFO [main.py:798]
{rank 0/64} MD step = 120500 step time: 00:00:00.339599 Performance: 33.119 ns/day 0.725 hours/ns 1.917 steps/s 2024-05-18 12:07:35,955 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120500 24100 69.514 -28455 7618.8 -36074 -36074 3.8755 -4.5008 -0.42726 2.2863e+05 2024-05-18 12:08:09,111 INFO [main.py:798]
{rank 0/64} MD step = 120600 step time: 00:00:00.345943 Performance: 33.122 ns/day 0.725 hours/ns 1.917 steps/s 2024-05-18 12:08:14,886 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120600 24120 69.756 -28441 7645.3 -36086 -36086 3.8772 -4.5052 -0.4268 2.288e+05 2024-05-18 12:08:51,440 INFO [main.py:798]
{rank 0/64} MD step = 120700 step time: 00:00:00.332061 Performance: 33.128 ns/day 0.724 hours/ns 1.917 steps/s 2024-05-18 12:09:01,157 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120700 24140 70.523 -28328 7729.4 -36057 -36057 3.8795 -4.5097 -0.42616 2.2899e+05 2024-05-18 12:09:36,491 INFO [main.py:798]
{rank 0/64} MD step = 120800 step time: 00:00:00.365075 Performance: 33.131 ns/day 0.724 hours/ns 1.917 steps/s 2024-05-18 12:09:45,648 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120800 24160 70.561 -28312 7733.6 -36046 -36046 3.8805 -4.5149 -0.42623 2.2921e+05 2024-05-18 12:10:20,068 INFO [main.py:798]
{rank 0/64} MD step = 120900 step time: 00:00:00.349246 Performance: 33.136 ns/day 0.724 hours/ns 1.918 steps/s 2024-05-18 12:10:27,683 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120900 24180 69.695 -28240 7638.7 -35879 -35879 3.8829 -4.5196 -0.42574 2.2944e+05 2024-05-18 12:11:03,602 INFO [main.py:798]
{rank 0/64} MD step = 121000 step time: 00:00:00.353347 Performance: 33.140 ns/day 0.724 hours/ns 1.918 steps/s 2024-05-18 12:11:24,439 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 121000 24200 69.558 -28324 7623.7 -35947 -35947 3.8857 -4.5244 -0.42551 2.2959e+05 2024-05-18 12:11:59,125 INFO [main.py:798]
{rank 0/64} MD step = 121100 step time: 00:00:00.326110 Performance: 33.138 ns/day 0.724 hours/ns 1.918 steps/s 2024-05-18 12:12:09,194 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 121100 24220 70.616 -28229 7739.6 -35969 -35969 3.8898 -4.5275 -0.4254 2.2976e+05 2024-05-18 12:12:45,293 INFO [main.py:798]
{rank 0/64} MD step = 121200 step time: 00:00:00.355548 Performance: 33.142 ns/day 0.724 hours/ns 1.918 steps/s 2024-05-18 12:12:53,326 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 121200 24240 70.329 -28130 7708.2 -35839 -35839 3.8916 -4.5306 -0.42438 2.2994e+05 2024-05-18 12:13:28,018 INFO [main.py:798]
{rank 0/64} MD step = 121300 step time: 00:00:00.350689 Performance: 33.147 ns/day 0.724 hours/ns 1.918 steps/s 2024-05-18 12:13:35,094 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 121300 24260 70.622 -28096 7740.3 -35836 -35836 3.8927 -4.5368 -0.42389 2.3013e+05 2024-05-18 12:14:10,423 INFO [main.py:798]
{rank 0/64} MD step = 121400 step time: 00:00:00.346649 Performance: 33.152 ns/day 0.724 hours/ns 1.918 steps/s 2024-05-18 12:14:18,280 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 121400 24280 70.008 -28282 7673 -35955 -35955 3.8939 -4.541 -0.42372 2.3032e+05 2024-05-18 12:14:52,139 INFO [main.py:798]
{rank 0/64} MD step = 121500 step time: 00:00:00.338511 Performance: 33.157 ns/day 0.724 hours/ns 1.919 steps/s 2024-05-18 12:15:08,741 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 121500 24300 70.494 -28347 7726.2 -36074 -36074 3.8961 -4.5464 -0.42355 2.3046e+05 2024-05-18 12:15:45,063 INFO [main.py:798]
{rank 0/64} MD step = 121600 step time: 00:00:00.377226 Performance: 33.157 ns/day 0.724 hours/ns 1.919 steps/s 2024-05-18 12:15:51,068 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 121600 24320 69.796 -28586 7649.7 -36235 -36235 3.899 -4.5511 -0.42277 2.3063e+05 2024-05-18 12:16:25,441 INFO [main.py:798]
{rank 0/64} MD step = 121700 step time: 00:00:00.339404 Performance: 33.163 ns/day 0.724 hours/ns 1.919 steps/s 2024-05-18 12:16:35,165 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 121700 24340 70.463 -28412 7722.8 -36135 -36135 3.9018 -4.5569 -0.4202 2.3085e+05 2024-05-18 12:17:10,167 INFO [main.py:798]
{rank 0/64} MD step = 121800 step time: 00:00:00.368682 Performance: 33.167 ns/day 0.724 hours/ns 1.919 steps/s 2024-05-18 12:17:28,299 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 121800 24360 70.709 -28037 7749.8 -35786 -35786 3.9031 -4.561 -0.41759 2.3109e+05 2024-05-18 12:18:02,569 INFO [main.py:798]
{rank 0/64} MD step = 121900 step time: 00:00:00.351927 Performance: 33.167 ns/day 0.724 hours/ns 1.919 steps/s 2024-05-18 12:18:10,110 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 121900 24380 69.529 -28254 7620.5 -35875 -35875 3.9051 -4.5647 -0.4162 2.3128e+05 2024-05-18 12:18:44,466 INFO [main.py:798]
{rank 0/64} MD step = 122000 step time: 00:00:00.348439 Performance: 33.172 ns/day 0.724 hours/ns 1.920 steps/s 2024-05-18 12:19:20,277 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 122000 24400 70.792 -28128 7758.9 -35887 -35887 3.9086 -4.5689 -0.41581 2.3147e+05 2024-05-18 12:19:55,920 INFO [main.py:798]
{rank 0/64} MD step = 122100 step time: 00:00:00.328612 Performance: 33.162 ns/day 0.724 hours/ns 1.919 steps/s 2024-05-18 12:20:03,040 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 122100 24420 69.813 -28334 7651.6 -35985 -35985 3.9119 -4.5749 -0.41465 2.3166e+05 2024-05-18 12:20:38,413 INFO [main.py:798]
{rank 0/64} MD step = 122200 step time: 00:00:00.330729 Performance: 33.167 ns/day 0.724 hours/ns 1.919 steps/s 2024-05-18 12:20:49,281 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 122200 24440 70.504 -28384 7727.3 -36112 -36112 3.914 -4.5794 -0.41254 2.3183e+05 2024-05-18 12:21:23,042 INFO [main.py:798]
{rank 0/64} MD step = 122300 step time: 00:00:00.350268 Performance: 33.171 ns/day 0.724 hours/ns 1.920 steps/s 2024-05-18 12:21:31,056 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 122300 24460 69.27 -28457 7592.1 -36050 -36050 3.9169 -4.5851 -0.4105 2.3203e+05 2024-05-18 12:22:05,513 INFO [main.py:798]
{rank 0/64} MD step = 122400 step time: 00:00:00.351721 Performance: 33.176 ns/day 0.723 hours/ns 1.920 steps/s 2024-05-18 12:22:14,068 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 122400 24480 69.915 -28461 7662.8 -36124 -36124 3.921 -4.5921 -0.40926 2.3221e+05 2024-05-18 12:22:48,354 INFO [main.py:798]
{rank 0/64} MD step = 122500 step time: 00:00:00.349118 Performance: 33.180 ns/day 0.723 hours/ns 1.920 steps/s 2024-05-18 12:23:01,331 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 122500 24500 69.675 -28268 7636.5 -35904 -35904 3.9233 -4.5953 -0.40886 2.3241e+05 2024-05-18 12:23:35,455 INFO [main.py:798]
{rank 0/64} MD step = 122600 step time: 00:00:00.341042 Performance: 33.183 ns/day 0.723 hours/ns 1.920 steps/s 2024-05-18 12:23:42,766 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 122600 24520 70.831 -28155 7763.2 -35918 -35918 3.9252 -4.5989 -0.40953 2.3259e+05 2024-05-18 12:24:16,908 INFO [main.py:798]
{rank 0/64} MD step = 122700 step time: 00:00:00.353531 Performance: 33.189 ns/day 0.723 hours/ns 1.921 steps/s 2024-05-18 12:24:25,377 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 122700 24540 69.473 -28292 7614.3 -35906 -35906 3.927 -4.6026 -0.4082 2.3277e+05 2024-05-18 12:24:59,752 INFO [main.py:798]
{rank 0/64} MD step = 122800 step time: 00:00:00.340984 Performance: 33.193 ns/day 0.723 hours/ns 1.921 steps/s 2024-05-18 12:25:07,447 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 122800 24560 70.291 -28297 7704 -36001 -36001 3.931 -4.6056 -0.40724 2.3295e+05 2024-05-18 12:25:40,854 INFO [main.py:798]
{rank 0/64} MD step = 122900 step time: 00:00:00.354373 Performance: 33.199 ns/day 0.723 hours/ns 1.921 steps/s 2024-05-18 12:25:47,342 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 122900 24580 69.046 -28473 7567.5 -36040 -36040 3.9331 -4.609 -0.40625 2.3312e+05 2024-05-18 12:26:21,845 INFO [main.py:798]
{rank 0/64} MD step = 123000 step time: 00:00:00.351698 Performance: 33.205 ns/day 0.723 hours/ns 1.922 steps/s 2024-05-18 12:26:49,123 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123000 24600 69.262 -28557 7591.2 -36149 -36149 3.9333 -4.6131 -0.40523 2.3327e+05 2024-05-18 12:27:23,594 INFO [main.py:798]
{rank 0/64} MD step = 123100 step time: 00:00:00.353832 Performance: 33.200 ns/day 0.723 hours/ns 1.921 steps/s 2024-05-18 12:27:36,605 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123100 24620 70.454 -28229 7721.9 -35951 -35951 3.9352 -4.6168 -0.40463 2.3351e+05 2024-05-18 12:28:12,255 INFO [main.py:798]
{rank 0/64} MD step = 123200 step time: 00:00:00.349771 Performance: 33.202 ns/day 0.723 hours/ns 1.921 steps/s 2024-05-18 12:28:25,861 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123200 24640 69.219 -28504 7586.5 -36090 -36090 3.938 -4.6224 -0.40353 2.3366e+05 2024-05-18 12:29:00,029 INFO [main.py:798]
{rank 0/64} MD step = 123300 step time: 00:00:00.327915 Performance: 33.204 ns/day 0.723 hours/ns 1.922 steps/s 2024-05-18 12:29:09,741 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123300 24660 70.054 -28472 7678 -36150 -36150 3.9404 -4.6269 -0.40303 2.3388e+05 2024-05-18 12:29:44,250 INFO [main.py:798]
{rank 0/64} MD step = 123400 step time: 00:00:00.350859 Performance: 33.208 ns/day 0.723 hours/ns 1.922 steps/s 2024-05-18 12:29:53,579 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123400 24680 69.645 -28561 7633.2 -36194 -36194 3.9419 -4.6299 -0.40206 2.3405e+05 2024-05-18 12:30:28,588 INFO [main.py:798]
{rank 0/64} MD step = 123500 step time: 00:00:00.360186 Performance: 33.212 ns/day 0.723 hours/ns 1.922 steps/s 2024-05-18 12:30:45,096 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123500 24700 69.753 -28504 7645 -36149 -36149 3.9441 -4.6343 -0.40254 2.3425e+05 2024-05-18 12:31:20,841 INFO [main.py:798]
{rank 0/64} MD step = 123600 step time: 00:00:00.366806 Performance: 33.212 ns/day 0.723 hours/ns 1.922 steps/s 2024-05-18 12:31:30,967 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123600 24720 70.423 -28257 7718.5 -35975 -35975 3.9468 -4.6394 -0.4007 2.3443e+05 2024-05-18 12:32:05,628 INFO [main.py:798]
{rank 0/64} MD step = 123700 step time: 00:00:00.352460 Performance: 33.215 ns/day 0.723 hours/ns 1.922 steps/s 2024-05-18 12:32:14,337 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123700 24740 68.996 -28430 7562.1 -35993 -35993 3.9479 -4.6435 -0.39838 2.3465e+05 2024-05-18 12:32:49,000 INFO [main.py:798]
{rank 0/64} MD step = 123800 step time: 00:00:00.352712 Performance: 33.220 ns/day 0.722 hours/ns 1.922 steps/s 2024-05-18 12:32:57,461 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123800 24760 69.823 -28544 7652.7 -36196 -36196 3.9495 -4.6486 -0.39633 2.3481e+05 2024-05-18 12:33:33,452 INFO [main.py:798]
{rank 0/64} MD step = 123900 step time: 00:00:00.375992 Performance: 33.224 ns/day 0.722 hours/ns 1.923 steps/s 2024-05-18 12:33:39,860 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123900 24780 70.89 -28417 7769.7 -36186 -36186 3.9513 -4.6535 -0.39542 2.3503e+05 2024-05-18 12:34:13,954 INFO [main.py:798]
{rank 0/64} MD step = 124000 step time: 00:00:00.354242 Performance: 33.230 ns/day 0.722 hours/ns 1.923 steps/s 2024-05-18 12:34:23,343 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124000 24800 69.986 -28502 7670.5 -36173 -36173 3.9519 -4.6573 -0.3958 2.3522e+05 2024-05-18 12:34:57,825 INFO [main.py:798]
{rank 0/64} MD step = 124100 step time: 00:00:00.353409 Performance: 33.234 ns/day 0.722 hours/ns 1.923 steps/s 2024-05-18 12:35:04,894 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124100 24820 70.689 -28451 7747.6 -36199 -36199 3.9556 -4.6637 -0.39336 2.3543e+05 2024-05-18 12:35:39,979 INFO [main.py:798]
{rank 0/64} MD step = 124200 step time: 00:00:00.352360 Performance: 33.239 ns/day 0.722 hours/ns 1.924 steps/s 2024-05-18 12:35:48,927 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124200 24840 70.248 -28536 7699.3 -36236 -36236 3.9589 -4.6693 -0.3932 2.3559e+05 2024-05-18 12:36:24,023 INFO [main.py:798]
{rank 0/64} MD step = 124300 step time: 00:00:00.332708 Performance: 33.243 ns/day 0.722 hours/ns 1.924 steps/s 2024-05-18 12:36:30,846 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124300 24860 69.584 -28470 7626.5 -36096 -36096 3.9618 -4.6743 -0.39329 2.3581e+05 2024-05-18 12:37:05,617 INFO [main.py:798]
{rank 0/64} MD step = 124400 step time: 00:00:00.343349 Performance: 33.248 ns/day 0.722 hours/ns 1.924 steps/s 2024-05-18 12:37:13,575 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124400 24880 70.38 -28361 7713.8 -36075 -36075 3.9643 -4.6797 -0.39154 2.3604e+05 2024-05-18 12:37:47,988 INFO [main.py:798]
{rank 0/64} MD step = 124500 step time: 00:00:00.341567 Performance: 33.253 ns/day 0.722 hours/ns 1.924 steps/s 2024-05-18 12:38:03,403 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124500 24900 69.551 -28534 7622.9 -36157 -36157 3.967 -4.685 -0.39096 2.3623e+05 2024-05-18 12:38:37,799 INFO [main.py:798]
{rank 0/64} MD step = 124600 step time: 00:00:00.349382 Performance: 33.254 ns/day 0.722 hours/ns 1.924 steps/s 2024-05-18 12:38:49,760 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124600 24920 69.272 -28576 7592.3 -36169 -36169 3.9689 -4.69 -0.38894 2.3642e+05 2024-05-18 12:39:24,222 INFO [main.py:798]
{rank 0/64} MD step = 124700 step time: 00:00:00.352338 Performance: 33.257 ns/day 0.722 hours/ns 1.925 steps/s 2024-05-18 12:39:33,986 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124700 24940 68.725 -28708 7532.3 -36240 -36240 3.9709 -4.6963 -0.38868 2.3662e+05 2024-05-18 12:40:08,528 INFO [main.py:798]
{rank 0/64} MD step = 124800 step time: 00:00:00.346895 Performance: 33.261 ns/day 0.722 hours/ns 1.925 steps/s 2024-05-18 12:40:19,380 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124800 24960 69.338 -28650 7599.6 -36249 -36249 3.9741 -4.7021 -0.38627 2.3678e+05 2024-05-18 12:40:54,033 INFO [main.py:798]
{rank 0/64} MD step = 124900 step time: 00:00:00.349701 Performance: 33.264 ns/day 0.721 hours/ns 1.925 steps/s 2024-05-18 12:41:05,794 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124900 24980 70.027 -28535 7675.1 -36210 -36210 3.9768 -4.7063 -0.38688 2.3696e+05 2024-05-18 12:41:41,889 INFO [main.py:798]
{rank 0/64} MD step = 125000 step time: 00:00:00.355193 Performance: 33.267 ns/day 0.721 hours/ns 1.925 steps/s 2024-05-18 12:41:54,489 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 125000 25000 70.222 -28404 7696.4 -36100 -36100 3.9796 -4.712 -0.38649 2.3717e+05 2024-05-18 12:42:28,409 INFO [main.py:798]
{rank 0/64} MD step = 125100 step time: 00:00:00.351424 Performance: 33.269 ns/day 0.721 hours/ns 1.925 steps/s 2024-05-18 12:42:39,160 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 125100 25020 69.013 -28499 7564 -36063 -36063 3.9814 -4.7155 -0.38355 2.3736e+05 2024-05-18 12:43:13,438 INFO [main.py:798]
{rank 0/64} MD step = 125200 step time: 00:00:00.433376 Performance: 33.273 ns/day 0.721 hours/ns 1.926 steps/s 2024-05-18 12:43:25,002 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 125200 25040 70.253 -28360 7699.9 -36060 -36060 3.9844 -4.7202 -0.38222 2.3755e+05 2024-05-18 12:43:59,621 INFO [main.py:798]
{rank 0/64} MD step = 125300 step time: 00:00:00.348640 Performance: 33.276 ns/day 0.721 hours/ns 1.926 steps/s 2024-05-18 12:44:07,744 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 125300 25060 69.552 -28445 7623 -36068 -36068 3.9867 -4.7246 -0.38216 2.3772e+05 2024-05-18 12:44:41,245 INFO [main.py:798]
{rank 0/64} MD step = 125400 step time: 00:00:00.340516 Performance: 33.281 ns/day 0.721 hours/ns 1.926 steps/s 2024-05-18 12:44:49,883 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 125400 25080 70.518 -28340 7728.9 -36069 -36069 3.9896 -4.7303 -0.38108 2.3793e+05 2024-05-18 12:45:23,949 INFO [main.py:798]
{rank 0/64} MD step = 125500 step time: 00:00:00.353428 Performance: 33.286 ns/day 0.721 hours/ns 1.926 steps/s 2024-05-18 12:45:35,740 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 125500 25100 70.371 -28068 7712.7 -35781 -35781 3.9917 -4.7362 -0.37968 2.3815e+05 2024-05-18 12:46:13,214 INFO [main.py:798]
{rank 0/64} MD step = 125600 step time: 00:00:00.352054 Performance: 33.287 ns/day 0.721 hours/ns 1.926 steps/s 2024-05-18 12:46:20,949 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 125600 25120 70.192 -28119 7693.1 -35812 -35812 3.9937 -4.7434 -0.3793 2.3836e+05 2024-05-18 12:46:55,414 INFO [main.py:798]
{rank 0/64} MD step = 125700 step time: 00:00:00.356123 Performance: 33.292 ns/day 0.721 hours/ns 1.927 steps/s 2024-05-18 12:47:11,196 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 125700 25140 69.672 -28169 7636.2 -35805 -35805 3.9955 -4.7473 -0.37887 2.3852e+05 2024-05-18 12:47:44,922 INFO [main.py:798]
{rank 0/64} MD step = 125800 step time: 00:00:00.355649 Performance: 33.293 ns/day 0.721 hours/ns 1.927 steps/s 2024-05-18 12:47:56,682 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 125800 25160 70.217 -28249 7695.8 -35945 -35945 3.9993 -4.751 -0.37789 2.387e+05 2024-05-18 12:48:31,290 INFO [main.py:798]
{rank 0/64} MD step = 125900 step time: 00:00:00.345062 Performance: 33.296 ns/day 0.721 hours/ns 1.927 steps/s 2024-05-18 12:48:42,693 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 125900 25180 70.462 -28105 7722.8 -35828 -35828 4.0004 -4.7556 -0.37655 2.3887e+05 2024-05-18 12:49:17,275 INFO [main.py:798]
{rank 0/64} MD step = 126000 step time: 00:00:00.352942 Performance: 33.299 ns/day 0.721 hours/ns 1.927 steps/s 2024-05-18 12:49:35,961 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 126000 25200 69.419 -28237 7608.4 -35845 -35845 4.0033 -4.7616 -0.3761 2.3903e+05 2024-05-18 12:50:10,726 INFO [main.py:798]
{rank 0/64} MD step = 126100 step time: 00:00:00.326856 Performance: 33.298 ns/day 0.721 hours/ns 1.927 steps/s 2024-05-18 12:50:19,350 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 126100 25220 70.253 -27960 7699.8 -35660 -35660 4.0052 -4.7677 -0.37514 2.3924e+05 2024-05-18 12:50:56,531 INFO [main.py:798]
{rank 0/64} MD step = 126200 step time: 00:00:00.338281 Performance: 33.301 ns/day 0.721 hours/ns 1.927 steps/s 2024-05-18 12:51:06,061 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 126200 25240 68.982 -28213 7560.5 -35774 -35774 4.0069 -4.7742 -0.37276 2.3938e+05 2024-05-18 12:51:41,997 INFO [main.py:798]
{rank 0/64} MD step = 126300 step time: 00:00:00.354313 Performance: 33.305 ns/day 0.721 hours/ns 1.927 steps/s 2024-05-18 12:51:49,270 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 126300 25260 69.402 -28149 7606.5 -35755 -35755 4.0087 -4.7798 -0.37264 2.3958e+05 2024-05-18 12:52:23,540 INFO [main.py:798]
{rank 0/64} MD step = 126400 step time: 00:00:00.364261 Performance: 33.310 ns/day 0.721 hours/ns 1.928 steps/s 2024-05-18 12:52:29,621 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 126400 25280 70.191 -28209 7693 -35902 -35902 4.0116 -4.7844 -0.37217 2.3977e+05 2024-05-18 12:53:07,173 INFO [main.py:798]
{rank 0/64} MD step = 126500 step time: 00:00:00.339152 Performance: 33.314 ns/day 0.720 hours/ns 1.928 steps/s 2024-05-18 12:53:17,657 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 126500 25300 69.401 -28308 7606.4 -35915 -35915 4.0145 -4.7895 -0.37184 2.3997e+05 2024-05-18 12:53:51,963 INFO [main.py:798]
{rank 0/64} MD step = 126600 step time: 00:00:00.340516 Performance: 33.318 ns/day 0.720 hours/ns 1.928 steps/s 2024-05-18 12:53:59,583 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 126600 25320 70.291 -28155 7704 -35859 -35859 4.0171 -4.7924 -0.37099 2.4016e+05 2024-05-18 12:54:33,950 INFO [main.py:798]
{rank 0/64} MD step = 126700 step time: 00:00:00.348862 Performance: 33.323 ns/day 0.720 hours/ns 1.928 steps/s 2024-05-18 12:54:41,582 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 126700 25340 69.334 -28388 7599.1 -35987 -35987 4.0208 -4.7974 -0.36993 2.4034e+05 2024-05-18 12:55:15,808 INFO [main.py:798]
{rank 0/64} MD step = 126800 step time: 00:00:00.349327 Performance: 33.328 ns/day 0.720 hours/ns 1.929 steps/s 2024-05-18 12:55:24,015 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 126800 25360 70.117 -28286 7684.9 -35971 -35971 4.0228 -4.8011 -0.36899 2.4055e+05 2024-05-18 12:55:57,944 INFO [main.py:798]
{rank 0/64} MD step = 126900 step time: 00:00:00.338529 Performance: 33.333 ns/day 0.720 hours/ns 1.929 steps/s 2024-05-18 12:56:06,995 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 126900 25380 69.92 -28197 7663.3 -35860 -35860 4.0268 -4.8082 -0.36804 2.4076e+05 2024-05-18 12:56:41,448 INFO [main.py:798]
{rank 0/64} MD step = 127000 step time: 00:00:00.350430 Performance: 33.337 ns/day 0.720 hours/ns 1.929 steps/s 2024-05-18 12:56:51,064 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 127000 25400 70.004 -28488 7672.5 -36161 -36161 4.0304 -4.8135 -0.36655 2.4096e+05 2024-05-18 12:57:26,026 INFO [main.py:798]
{rank 0/64} MD step = 127100 step time: 00:00:00.355546 Performance: 33.341 ns/day 0.720 hours/ns 1.929 steps/s 2024-05-18 12:57:38,130 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 127100 25420 70.752 -28255 7754.5 -36010 -36010 4.0337 -4.8167 -0.36608 2.4114e+05 2024-05-18 12:58:11,934 INFO [main.py:798]
{rank 0/64} MD step = 127200 step time: 00:00:00.328844 Performance: 33.344 ns/day 0.720 hours/ns 1.930 steps/s 2024-05-18 12:58:24,810 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 127200 25440 71.155 -28302 7798.7 -36101 -36101 4.0356 -4.8221 -0.36731 2.413e+05 2024-05-18 12:58:58,546 INFO [main.py:798]
{rank 0/64} MD step = 127300 step time: 00:00:00.347627 Performance: 33.346 ns/day 0.720 hours/ns 1.930 steps/s 2024-05-18 12:59:06,073 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 127300 25460 69.602 -28284 7628.5 -35912 -35912 4.0384 -4.8277 -0.36674 2.4151e+05 2024-05-18 12:59:40,592 INFO [main.py:798]
{rank 0/64} MD step = 127400 step time: 00:00:00.332362 Performance: 33.351 ns/day 0.720 hours/ns 1.930 steps/s 2024-05-18 12:59:48,268 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 127400 25480 69.677 -28363 7636.7 -35999 -35999 4.0402 -4.8344 -0.36678 2.4168e+05 2024-05-18 13:00:24,620 INFO [main.py:798]
{rank 0/64} MD step = 127500 step time: 00:00:00.370200 Performance: 33.355 ns/day 0.720 hours/ns 1.930 steps/s 2024-05-18 13:00:31,811 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 127500 25500 69.475 -28389 7614.6 -36004 -36004 4.0427 -4.8375 -0.36572 2.4184e+05 2024-05-18 13:01:07,570 INFO [main.py:798]
{rank 0/64} MD step = 127600 step time: 00:00:00.372336 Performance: 33.360 ns/day 0.719 hours/ns 1.931 steps/s 2024-05-18 13:01:17,257 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 127600 25520 70.525 -28196 7729.6 -35925 -35925 4.0435 -4.8423 -0.36661 2.4205e+05 2024-05-18 13:01:51,919 INFO [main.py:798]
{rank 0/64} MD step = 127700 step time: 00:00:00.353545 Performance: 33.363 ns/day 0.719 hours/ns 1.931 steps/s 2024-05-18 13:02:02,548 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 127700 25540 70.214 -28282 7695.5 -35977 -35977 4.045 -4.8465 -0.36727 2.422e+05 2024-05-18 13:02:37,175 INFO [main.py:798]
{rank 0/64} MD step = 127800 step time: 00:00:00.327741 Performance: 33.367 ns/day 0.719 hours/ns 1.931 steps/s 2024-05-18 13:02:47,957 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 127800 25560 69.778 -28313 7647.8 -35961 -35961 4.0475 -4.8513 -0.36607 2.424e+05 2024-05-18 13:03:22,526 INFO [main.py:798]
{rank 0/64} MD step = 127900 step time: 00:00:00.348941 Performance: 33.370 ns/day 0.719 hours/ns 1.931 steps/s 2024-05-18 13:03:33,951 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 127900 25580 70.364 -28290 7711.9 -36002 -36002 4.0502 -4.8555 -0.36598 2.426e+05 2024-05-18 13:04:09,058 INFO [main.py:798]
{rank 0/64} MD step = 128000 step time: 00:00:00.371298 Performance: 33.373 ns/day 0.719 hours/ns 1.931 steps/s 2024-05-18 13:04:19,254 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 128000 25600 69.841 -28335 7654.6 -35990 -35990 4.0516 -4.8598 -0.36646 2.4275e+05 2024-05-18 13:04:54,346 INFO [main.py:798]
{rank 0/64} MD step = 128100 step time: 00:00:00.366777 Performance: 33.376 ns/day 0.719 hours/ns 1.931 steps/s 2024-05-18 13:05:11,447 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 128100 25620 68.951 -28547 7557.2 -36104 -36104 4.0533 -4.864 -0.36547 2.4296e+05 2024-05-18 13:05:46,950 INFO [main.py:798]
{rank 0/64} MD step = 128200 step time: 00:00:00.365353 Performance: 33.375 ns/day 0.719 hours/ns 1.931 steps/s 2024-05-18 13:05:53,868 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 128200 25640 69.991 -28449 7671.1 -36120 -36120 4.0565 -4.8685 -0.36501 2.4315e+05 2024-05-18 13:06:29,216 INFO [main.py:798]
{rank 0/64} MD step = 128300 step time: 00:00:00.341513 Performance: 33.380 ns/day 0.719 hours/ns 1.932 steps/s 2024-05-18 13:06:35,250 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 128300 25660 70.238 -28389 7698.2 -36087 -36087 4.0575 -4.8754 -0.36566 2.4336e+05 2024-05-18 13:07:10,701 INFO [main.py:798]
{rank 0/64} MD step = 128400 step time: 00:00:00.364316 Performance: 33.385 ns/day 0.719 hours/ns 1.932 steps/s 2024-05-18 13:07:17,570 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 128400 25680 70.018 -28386 7674.1 -36061 -36061 4.0623 -4.8796 -0.36378 2.4356e+05 2024-05-18 13:07:51,157 INFO [main.py:798]
{rank 0/64} MD step = 128500 step time: 00:00:00.332635 Performance: 33.391 ns/day 0.719 hours/ns 1.932 steps/s 2024-05-18 13:07:57,588 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 128500 25700 70.337 -28441 7709.1 -36150 -36150 4.0653 -4.8848 -0.36373 2.4374e+05 2024-05-18 13:08:31,334 INFO [main.py:798]
{rank 0/64} MD step = 128600 step time: 00:00:00.340976 Performance: 33.397 ns/day 0.719 hours/ns 1.933 steps/s 2024-05-18 13:08:40,067 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 128600 25720 69.214 -28580 7586 -36166 -36166 4.0659 -4.8912 -0.36444 2.4393e+05 2024-05-18 13:09:14,393 INFO [main.py:798]
{rank 0/64} MD step = 128700 step time: 00:00:00.352175 Performance: 33.401 ns/day 0.719 hours/ns 1.933 steps/s 2024-05-18 13:09:22,189 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 128700 25740 70.159 -28150 7689.5 -35839 -35839 4.0699 -4.898 -0.3627 2.4416e+05 2024-05-18 13:09:57,155 INFO [main.py:798]
{rank 0/64} MD step = 128800 step time: 00:00:00.351457 Performance: 33.406 ns/day 0.718 hours/ns 1.933 steps/s 2024-05-18 13:10:03,403 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 128800 25760 70.245 -28351 7699 -36050 -36050 4.0718 -4.9024 -0.36173 2.4431e+05 2024-05-18 13:10:37,458 INFO [main.py:798]
{rank 0/64} MD step = 128900 step time: 00:00:00.354416 Performance: 33.411 ns/day 0.718 hours/ns 1.934 steps/s 2024-05-18 13:10:50,600 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 128900 25780 70.152 -28275 7688.8 -35964 -35964 4.0742 -4.908 -0.36074 2.4449e+05 2024-05-18 13:11:26,709 INFO [main.py:798]
{rank 0/64} MD step = 129000 step time: 00:00:00.326279 Performance: 33.413 ns/day 0.718 hours/ns 1.934 steps/s 2024-05-18 13:11:38,837 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129000 25800 70.64 -28269 7742.2 -36011 -36011 4.077 -4.9125 -0.35947 2.4473e+05 2024-05-18 13:12:13,826 INFO [main.py:798]
{rank 0/64} MD step = 129100 step time: 00:00:00.332577 Performance: 33.415 ns/day 0.718 hours/ns 1.934 steps/s 2024-05-18 13:12:25,553 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129100 25820 69.861 -28519 7656.8 -36176 -36176 4.0804 -4.9177 -0.35838 2.4488e+05 2024-05-18 13:12:59,232 INFO [main.py:798]
{rank 0/64} MD step = 129200 step time: 00:00:00.334344 Performance: 33.418 ns/day 0.718 hours/ns 1.934 steps/s 2024-05-18 13:13:14,522 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129200 25840 68.97 -28555 7559.2 -36114 -36114 4.0824 -4.9229 -0.35865 2.4506e+05 2024-05-18 13:13:48,184 INFO [main.py:798]
{rank 0/64} MD step = 129300 step time: 00:00:00.340456 Performance: 33.419 ns/day 0.718 hours/ns 1.934 steps/s 2024-05-18 13:14:03,235 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129300 25860 69.641 -28470 7632.7 -36103 -36103 4.0841 -4.9279 -0.35693 2.4523e+05 2024-05-18 13:14:36,966 INFO [main.py:798]
{rank 0/64} MD step = 129400 step time: 00:00:00.328696 Performance: 33.421 ns/day 0.718 hours/ns 1.934 steps/s 2024-05-18 13:14:51,090 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129400 25880 69.131 -28406 7576.9 -35983 -35983 4.086 -4.9336 -0.35704 2.4545e+05 2024-05-18 13:15:25,247 INFO [main.py:798]
{rank 0/64} MD step = 129500 step time: 00:00:00.363703 Performance: 33.423 ns/day 0.718 hours/ns 1.934 steps/s 2024-05-18 13:15:39,314 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129500 25900 70.498 -28358 7726.7 -36084 -36084 4.0884 -4.9364 -0.35708 2.4564e+05 2024-05-18 13:16:13,991 INFO [main.py:798]
{rank 0/64} MD step = 129600 step time: 00:00:00.347042 Performance: 33.424 ns/day 0.718 hours/ns 1.934 steps/s 2024-05-18 13:16:23,720 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129600 25920 69.928 -28523 7664.2 -36187 -36187 4.0921 -4.9394 -0.35684 2.4584e+05 2024-05-18 13:16:57,869 INFO [main.py:798]
{rank 0/64} MD step = 129700 step time: 00:00:00.346171 Performance: 33.428 ns/day 0.718 hours/ns 1.934 steps/s 2024-05-18 13:17:05,446 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129700 25940 69.754 -28419 7645.1 -36064 -36064 4.0967 -4.9436 -0.35446 2.4604e+05 2024-05-18 13:17:40,678 INFO [main.py:798]
{rank 0/64} MD step = 129800 step time: 00:00:00.337465 Performance: 33.432 ns/day 0.718 hours/ns 1.935 steps/s 2024-05-18 13:17:53,393 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129800 25960 70.072 -28294 7680 -35974 -35974 4.0971 -4.9473 -0.35375 2.4625e+05 2024-05-18 13:18:27,642 INFO [main.py:798]
{rank 0/64} MD step = 129900 step time: 00:00:00.348683 Performance: 33.435 ns/day 0.718 hours/ns 1.935 steps/s 2024-05-18 13:18:42,554 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129900 25980 70.167 -28400 7690.3 -36091 -36091 4.0983 -4.9522 -0.3536 2.4642e+05 2024-05-18 13:19:16,788 INFO [main.py:798]
{rank 0/64} MD step = 130000 step time: 00:00:00.339371 Performance: 33.436 ns/day 0.718 hours/ns 1.935 steps/s 2024-05-18 13:19:27,384 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130000 26000 71.152 -28226 7798.3 -36025 -36025 4.0994 -4.9565 -0.35442 2.466e+05 2024-05-18 13:20:01,448 INFO [main.py:798]
{rank 0/64} MD step = 130100 step time: 00:00:00.352168 Performance: 33.440 ns/day 0.718 hours/ns 1.935 steps/s 2024-05-18 13:20:09,281 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130100 26020 70.153 -28377 7688.8 -36066 -36066 4.1012 -4.9608 -0.3529 2.4676e+05 2024-05-18 13:20:45,362 INFO [main.py:798]
{rank 0/64} MD step = 130200 step time: 00:00:00.367735 Performance: 33.443 ns/day 0.718 hours/ns 1.935 steps/s 2024-05-18 13:20:53,042 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130200 26040 71.143 -28226 7797.4 -36023 -36023 4.1034 -4.9646 -0.35068 2.4694e+05 2024-05-18 13:21:27,449 INFO [main.py:798]
{rank 0/64} MD step = 130300 step time: 00:00:00.349801 Performance: 33.448 ns/day 0.718 hours/ns 1.936 steps/s 2024-05-18 13:21:36,320 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130300 26060 69.975 -28368 7669.4 -36037 -36037 4.107 -4.97 -0.34958 2.4718e+05 2024-05-18 13:22:10,938 INFO [main.py:798]
{rank 0/64} MD step = 130400 step time: 00:00:00.353049 Performance: 33.452 ns/day 0.717 hours/ns 1.936 steps/s 2024-05-18 13:22:20,040 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130400 26080 70.856 -28244 7765.9 -36010 -36010 4.1092 -4.9744 -0.34873 2.4737e+05 2024-05-18 13:22:54,509 INFO [main.py:798]
{rank 0/64} MD step = 130500 step time: 00:00:00.361198 Performance: 33.456 ns/day 0.717 hours/ns 1.936 steps/s 2024-05-18 13:23:03,768 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130500 26100 70.379 -28430 7713.6 -36143 -36143 4.1121 -4.9799 -0.34813 2.4752e+05 2024-05-18 13:23:38,073 INFO [main.py:798]
{rank 0/64} MD step = 130600 step time: 00:00:00.368582 Performance: 33.460 ns/day 0.717 hours/ns 1.936 steps/s 2024-05-18 13:23:45,421 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130600 26120 69.66 -28378 7634.8 -36013 -36013 4.1153 -4.9856 -0.3469 2.4773e+05 2024-05-18 13:24:20,366 INFO [main.py:798]
{rank 0/64} MD step = 130700 step time: 00:00:00.350082 Performance: 33.465 ns/day 0.717 hours/ns 1.937 steps/s 2024-05-18 13:24:27,561 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130700 26140 69.881 -28416 7659.1 -36075 -36075 4.1159 -4.9916 -0.3473 2.4795e+05 2024-05-18 13:25:02,356 INFO [main.py:798]
{rank 0/64} MD step = 130800 step time: 00:00:00.348458 Performance: 33.470 ns/day 0.717 hours/ns 1.937 steps/s 2024-05-18 13:25:09,888 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130800 26160 70.946 -28228 7775.8 -36003 -36003 4.1177 -4.9965 -0.34417 2.4814e+05 2024-05-18 13:25:45,139 INFO [main.py:798]
{rank 0/64} MD step = 130900 step time: 00:00:00.359636 Performance: 33.474 ns/day 0.717 hours/ns 1.937 steps/s 2024-05-18 13:25:53,335 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130900 26180 69.327 -28469 7598.4 -36067 -36067 4.1184 -5.0025 -0.34176 2.483e+05 2024-05-18 13:26:27,794 INFO [main.py:798]
{rank 0/64} MD step = 131000 step time: 00:00:00.347910 Performance: 33.478 ns/day 0.717 hours/ns 1.937 steps/s 2024-05-18 13:26:33,529 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131000 26200 69.676 -28506 7636.6 -36143 -36143 4.1206 -5.0083 -0.3415 2.4848e+05 2024-05-18 13:27:07,947 INFO [main.py:798]
{rank 0/64} MD step = 131100 step time: 00:00:00.359149 Performance: 33.484 ns/day 0.717 hours/ns 1.938 steps/s 2024-05-18 13:27:19,070 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131100 26220 69.66 -28494 7634.9 -36129 -36129 4.1212 -5.012 -0.33903 2.4864e+05 2024-05-18 13:27:53,327 INFO [main.py:798]
{rank 0/64} MD step = 131200 step time: 00:00:00.329207 Performance: 33.487 ns/day 0.717 hours/ns 1.938 steps/s 2024-05-18 13:27:59,690 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131200 26240 68.822 -28604 7542.9 -36146 -36146 4.1235 -5.0167 -0.33968 2.4883e+05 2024-05-18 13:28:34,202 INFO [main.py:798]
{rank 0/64} MD step = 131300 step time: 00:00:00.334734 Performance: 33.493 ns/day 0.717 hours/ns 1.938 steps/s 2024-05-18 13:28:39,943 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131300 26260 71.133 -28367 7796.3 -36163 -36163 4.1249 -5.0223 -0.33866 2.4901e+05 2024-05-18 13:29:13,727 INFO [main.py:798]
{rank 0/64} MD step = 131400 step time: 00:00:00.327338 Performance: 33.498 ns/day 0.716 hours/ns 1.939 steps/s 2024-05-18 13:29:25,320 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131400 26280 70.413 -28472 7717.4 -36189 -36189 4.1255 -5.0287 -0.33882 2.4918e+05 2024-05-18 13:29:59,392 INFO [main.py:798]
{rank 0/64} MD step = 131500 step time: 00:00:00.353936 Performance: 33.501 ns/day 0.716 hours/ns 1.939 steps/s 2024-05-18 13:30:05,303 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131500 26300 70.457 -28340 7722.2 -36062 -36062 4.1275 -5.0341 -0.3376 2.494e+05 2024-05-18 13:30:40,153 INFO [main.py:798]
{rank 0/64} MD step = 131600 step time: 00:00:00.347844 Performance: 33.507 ns/day 0.716 hours/ns 1.939 steps/s 2024-05-18 13:30:45,381 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131600 26320 71.202 -28326 7803.8 -36129 -36129 4.1284 -5.0389 -0.33661 2.4958e+05 2024-05-18 13:31:18,873 INFO [main.py:798]
{rank 0/64} MD step = 131700 step time: 00:00:00.336128 Performance: 33.513 ns/day 0.716 hours/ns 1.939 steps/s 2024-05-18 13:31:25,022 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131700 26340 71.206 -28360 7804.3 -36164 -36164 4.131 -5.0436 -0.33453 2.498e+05 2024-05-18 13:31:58,813 INFO [main.py:798]
{rank 0/64} MD step = 131800 step time: 00:00:00.348019 Performance: 33.519 ns/day 0.716 hours/ns 1.940 steps/s 2024-05-18 13:32:06,354 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131800 26360 70.548 -28477 7732.1 -36209 -36209 4.1329 -5.0493 -0.33489 2.4997e+05 2024-05-18 13:32:41,036 INFO [main.py:798]
{rank 0/64} MD step = 131900 step time: 00:00:00.354003 Performance: 33.523 ns/day 0.716 hours/ns 1.940 steps/s 2024-05-18 13:32:46,424 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131900 26380 71.408 -28230 7826.4 -36056 -36056 4.1347 -5.0542 -0.33459 2.5015e+05 2024-05-18 13:33:20,715 INFO [main.py:798]
{rank 0/64} MD step = 132000 step time: 00:00:00.353201 Performance: 33.529 ns/day 0.716 hours/ns 1.940 steps/s 2024-05-18 13:33:25,939 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 132000 26400 70.449 -28312 7721.3 -36033 -36033 4.1361 -5.0593 -0.33303 2.5036e+05 2024-05-18 13:34:01,297 INFO [main.py:798]
{rank 0/64} MD step = 132100 step time: 00:00:00.342344 Performance: 33.535 ns/day 0.716 hours/ns 1.941 steps/s 2024-05-18 13:34:06,678 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 132100 26420 70.372 -28349 7712.8 -36062 -36062 4.1369 -5.0638 -0.33261 2.5053e+05 2024-05-18 13:34:43,470 INFO [main.py:798]
{rank 0/64} MD step = 132200 step time: 00:00:00.355730 Performance: 33.539 ns/day 0.716 hours/ns 1.941 steps/s 2024-05-18 13:34:49,665 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 132200 26440 69.853 -28550 7656 -36206 -36206 4.1401 -5.0698 -0.33095 2.507e+05 2024-05-18 13:35:24,126 INFO [main.py:798]
{rank 0/64} MD step = 132300 step time: 00:00:00.353466 Performance: 33.545 ns/day 0.715 hours/ns 1.941 steps/s 2024-05-18 13:35:34,015 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 132300 26460 70.157 -28412 7689.3 -36101 -36101 4.1432 -5.075 -0.32987 2.5094e+05 2024-05-18 13:36:08,337 INFO [main.py:798]
{rank 0/64} MD step = 132400 step time: 00:00:00.340215 Performance: 33.548 ns/day 0.715 hours/ns 1.941 steps/s 2024-05-18 13:36:16,496 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 132400 26480 69.653 -28491 7634.1 -36125 -36125 4.1439 -5.0795 -0.32775 2.5112e+05 2024-05-18 13:36:50,569 INFO [main.py:798]
{rank 0/64} MD step = 132500 step time: 00:00:00.336796 Performance: 33.553 ns/day 0.715 hours/ns 1.942 steps/s 2024-05-18 13:36:57,107 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 132500 26500 70.374 -28446 7713.1 -36159 -36159 4.1461 -5.0855 -0.32649 2.5131e+05 2024-05-18 13:37:31,371 INFO [main.py:798]
{rank 0/64} MD step = 132600 step time: 00:00:00.350887 Performance: 33.558 ns/day 0.715 hours/ns 1.942 steps/s 2024-05-18 13:37:38,399 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 132600 26520 70.527 -28448 7729.9 -36178 -36178 4.1483 -5.0892 -0.32627 2.5148e+05 2024-05-18 13:38:12,841 INFO [main.py:798]
{rank 0/64} MD step = 132700 step time: 00:00:00.348860 Performance: 33.563 ns/day 0.715 hours/ns 1.942 steps/s 2024-05-18 13:38:19,131 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 132700 26540 70.759 -28442 7755.2 -36197 -36197 4.1504 -5.095 -0.32559 2.5165e+05 2024-05-18 13:38:54,644 INFO [main.py:798]
{rank 0/64} MD step = 132800 step time: 00:00:00.374679 Performance: 33.568 ns/day 0.715 hours/ns 1.943 steps/s 2024-05-18 13:39:01,990 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 132800 26560 70.422 -28369 7718.3 -36087 -36087 4.1531 -5.0999 -0.32438 2.5188e+05 2024-05-18 13:39:36,786 INFO [main.py:798]
{rank 0/64} MD step = 132900 step time: 00:00:00.353669 Performance: 33.572 ns/day 0.715 hours/ns 1.943 steps/s 2024-05-18 13:39:42,574 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 132900 26580 69.644 -28477 7633.1 -36110 -36110 4.155 -5.1043 -0.32308 2.5207e+05 2024-05-18 13:40:17,124 INFO [main.py:798]
{rank 0/64} MD step = 133000 step time: 00:00:00.351824 Performance: 33.578 ns/day 0.715 hours/ns 1.943 steps/s 2024-05-18 13:40:27,328 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133000 26600 71.181 -28298 7801.5 -36099 -36099 4.1572 -5.1108 -0.32118 2.5224e+05 2024-05-18 13:41:01,500 INFO [main.py:798]
{rank 0/64} MD step = 133100 step time: 00:00:00.332846 Performance: 33.581 ns/day 0.715 hours/ns 1.943 steps/s 2024-05-18 13:41:10,991 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133100 26620 69.725 -28446 7642 -36088 -36088 4.1615 -5.1165 -0.32049 2.5242e+05 2024-05-18 13:41:44,973 INFO [main.py:798]
{rank 0/64} MD step = 133200 step time: 00:00:00.352618 Performance: 33.585 ns/day 0.715 hours/ns 1.944 steps/s 2024-05-18 13:41:55,863 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133200 26640 70.457 -28467 7722.2 -36190 -36190 4.1636 -5.1212 -0.31975 2.5262e+05 2024-05-18 13:42:30,127 INFO [main.py:798]
{rank 0/64} MD step = 133300 step time: 00:00:00.333078 Performance: 33.588 ns/day 0.715 hours/ns 1.944 steps/s 2024-05-18 13:42:47,748 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133300 26660 69.834 -28496 7653.9 -36150 -36150 4.1657 -5.1254 -0.31968 2.5282e+05 2024-05-18 13:43:22,589 INFO [main.py:798]
{rank 0/64} MD step = 133400 step time: 00:00:00.346125 Performance: 33.588 ns/day 0.715 hours/ns 1.944 steps/s 2024-05-18 13:43:32,341 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133400 26680 69.451 -28546 7611.9 -36158 -36158 4.1686 -5.1325 -0.3188 2.53e+05 2024-05-18 13:44:06,761 INFO [main.py:798]
{rank 0/64} MD step = 133500 step time: 00:00:00.343282 Performance: 33.591 ns/day 0.714 hours/ns 1.944 steps/s 2024-05-18 13:44:17,480 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133500 26700 70.078 -28507 7680.7 -36187 -36187 4.1701 -5.137 -0.31743 2.5318e+05 2024-05-18 13:44:51,655 INFO [main.py:798]
{rank 0/64} MD step = 133600 step time: 00:00:00.348371 Performance: 33.594 ns/day 0.714 hours/ns 1.944 steps/s 2024-05-18 13:45:05,597 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133600 26720 69.235 -28774 7588.3 -36362 -36362 4.1717 -5.1413 -0.31703 2.5336e+05 2024-05-18 13:45:41,366 INFO [main.py:798]
{rank 0/64} MD step = 133700 step time: 00:00:00.358472 Performance: 33.595 ns/day 0.714 hours/ns 1.944 steps/s 2024-05-18 13:45:57,561 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133700 26740 70.245 -28465 7698.9 -36164 -36164 4.173 -5.1475 -0.31687 2.5356e+05 2024-05-18 13:46:32,970 INFO [main.py:798]
{rank 0/64} MD step = 133800 step time: 00:00:00.349761 Performance: 33.595 ns/day 0.714 hours/ns 1.944 steps/s 2024-05-18 13:46:40,296 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133800 26760 70.45 -28491 7721.4 -36213 -36213 4.1739 -5.1539 -0.31392 2.5373e+05 2024-05-18 13:47:19,230 INFO [main.py:798]
{rank 0/64} MD step = 133900 step time: 00:00:00.326863 Performance: 33.598 ns/day 0.714 hours/ns 1.944 steps/s 2024-05-18 13:47:34,657 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133900 26780 70.49 -28580 7725.8 -36306 -36306 4.1784 -5.1582 -0.31247 2.539e+05 2024-05-18 13:48:08,628 INFO [main.py:798]
{rank 0/64} MD step = 134000 step time: 00:00:00.328757 Performance: 33.599 ns/day 0.714 hours/ns 1.944 steps/s 2024-05-18 13:48:18,343 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 134000 26800 69.539 -28578 7621.6 -36200 -36200 4.1806 -5.1645 -0.31116 2.5409e+05 2024-05-18 13:48:53,541 INFO [main.py:798]
{rank 0/64} MD step = 134100 step time: 00:00:00.348933 Performance: 33.602 ns/day 0.714 hours/ns 1.945 steps/s 2024-05-18 13:49:02,331 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 134100 26820 70.175 -28518 7691.3 -36210 -36210 4.1846 -5.1686 -0.31007 2.5428e+05 2024-05-18 13:49:36,785 INFO [main.py:798]
{rank 0/64} MD step = 134200 step time: 00:00:00.350997 Performance: 33.606 ns/day 0.714 hours/ns 1.945 steps/s 2024-05-18 13:49:47,136 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 134200 26840 70.507 -28534 7727.7 -36262 -36262 4.1861 -5.1733 -0.30752 2.5447e+05 2024-05-18 13:50:21,106 INFO [main.py:798]
{rank 0/64} MD step = 134300 step time: 00:00:00.328305 Performance: 33.609 ns/day 0.714 hours/ns 1.945 steps/s 2024-05-18 13:50:29,372 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 134300 26860 71.064 -28338 7788.7 -36127 -36127 4.1892 -5.1779 -0.30668 2.5466e+05 2024-05-18 13:51:04,247 INFO [main.py:798]
{rank 0/64} MD step = 134400 step time: 00:00:00.342919 Performance: 33.613 ns/day 0.714 hours/ns 1.945 steps/s 2024-05-18 13:51:12,839 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 134400 26880 70.697 -28448 7748.5 -36196 -36196 4.1913 -5.1831 -0.30598 2.5483e+05 2024-05-18 13:51:47,150 INFO [main.py:798]
{rank 0/64} MD step = 134500 step time: 00:00:00.347079 Performance: 33.618 ns/day 0.714 hours/ns 1.945 steps/s 2024-05-18 13:51:56,107 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 134500 26900 70.341 -28578 7709.5 -36288 -36288 4.1932 -5.1891 -0.30503 2.5502e+05 2024-05-18 13:52:30,537 INFO [main.py:798]
{rank 0/64} MD step = 134600 step time: 00:00:00.349421 Performance: 33.621 ns/day 0.714 hours/ns 1.946 steps/s 2024-05-18 13:52:37,908 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 134600 26920 70.553 -28477 7732.7 -36210 -36210 4.1956 -5.1959 -0.30661 2.552e+05 2024-05-18 13:53:12,015 INFO [main.py:798]
{rank 0/64} MD step = 134700 step time: 00:00:00.331747 Performance: 33.626 ns/day 0.714 hours/ns 1.946 steps/s 2024-05-18 13:53:24,927 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 134700 26940 69.221 -28601 7586.7 -36187 -36187 4.1972 -5.1998 -0.30627 2.5539e+05 2024-05-18 13:54:00,255 INFO [main.py:798]
{rank 0/64} MD step = 134800 step time: 00:00:00.338898 Performance: 33.628 ns/day 0.714 hours/ns 1.946 steps/s 2024-05-18 13:54:13,237 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 134800 26960 68.985 -28684 7560.8 -36244 -36244 4.1968 -5.2052 -0.30455 2.5563e+05 2024-05-18 13:54:47,559 INFO [main.py:798]
{rank 0/64} MD step = 134900 step time: 00:00:00.348905 Performance: 33.630 ns/day 0.714 hours/ns 1.946 steps/s 2024-05-18 13:54:58,693 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 134900 26980 71.508 -28498 7837.4 -36336 -36336 4.1997 -5.2097 -0.30385 2.5579e+05 2024-05-18 13:55:34,015 INFO [main.py:798]
{rank 0/64} MD step = 135000 step time: 00:00:00.349896 Performance: 33.632 ns/day 0.714 hours/ns 1.946 steps/s 2024-05-18 13:55:45,454 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135000 27000 70.55 -28518 7732.4 -36250 -36250 4.2011 -5.2157 -0.30145 2.5597e+05 2024-05-18 13:56:18,910 INFO [main.py:798]
{rank 0/64} MD step = 135100 step time: 00:00:00.336471 Performance: 33.635 ns/day 0.714 hours/ns 1.946 steps/s 2024-05-18 13:56:30,404 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135100 27020 69.387 -28775 7605 -36380 -36380 4.2024 -5.2205 -0.29952 2.5616e+05 2024-05-18 13:57:04,850 INFO [main.py:798]
{rank 0/64} MD step = 135200 step time: 00:00:00.359131 Performance: 33.638 ns/day 0.713 hours/ns 1.947 steps/s 2024-05-18 13:57:14,276 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135200 27040 69.958 -28292 7667.5 -35960 -35960 4.2028 -5.2261 -0.29753 2.5644e+05 2024-05-18 13:57:48,988 INFO [main.py:798]
{rank 0/64} MD step = 135300 step time: 00:00:00.349551 Performance: 33.641 ns/day 0.713 hours/ns 1.947 steps/s 2024-05-18 13:58:13,997 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135300 27060 69.656 -28579 7634.4 -36213 -36213 4.2044 -5.2309 -0.29571 2.5662e+05 2024-05-18 13:58:49,276 INFO [main.py:798]
{rank 0/64} MD step = 135400 step time: 00:00:00.367557 Performance: 33.637 ns/day 0.713 hours/ns 1.947 steps/s 2024-05-18 13:59:44,481 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135400 27080 70.634 -28390 7741.6 -36132 -36132 4.2047 -5.2359 -0.29586 2.5679e+05 2024-05-18 14:00:18,610 INFO [main.py:798]
{rank 0/64} MD step = 135500 step time: 00:00:00.352940 Performance: 33.619 ns/day 0.714 hours/ns 1.946 steps/s 2024-05-18 14:00:31,106 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135500 27100 70.058 -28373 7678.4 -36052 -36052 4.2077 -5.2416 -0.29476 2.5698e+05 2024-05-18 14:01:06,916 INFO [main.py:798]
{rank 0/64} MD step = 135600 step time: 00:00:00.338805 Performance: 33.620 ns/day 0.714 hours/ns 1.946 steps/s 2024-05-18 14:01:18,436 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135600 27120 70.498 -28531 7726.7 -36258 -36258 4.2108 -5.2463 -0.29493 2.5718e+05 2024-05-18 14:01:55,664 INFO [main.py:798]
{rank 0/64} MD step = 135700 step time: 00:00:00.326857 Performance: 33.622 ns/day 0.714 hours/ns 1.946 steps/s 2024-05-18 14:02:12,732 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135700 27140 70.385 -28439 7714.3 -36154 -36154 4.2139 -5.2523 -0.29325 2.5739e+05 2024-05-18 14:02:47,506 INFO [main.py:798]
{rank 0/64} MD step = 135800 step time: 00:00:00.345937 Performance: 33.621 ns/day 0.714 hours/ns 1.946 steps/s 2024-05-18 14:02:53,074 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135800 27160 69.65 -28522 7633.8 -36156 -36156 4.2159 -5.2582 -0.29261 2.5756e+05 2024-05-18 14:03:27,380 INFO [main.py:798]
{rank 0/64} MD step = 135900 step time: 00:00:00.348496 Performance: 33.627 ns/day 0.714 hours/ns 1.946 steps/s 2024-05-18 14:03:36,103 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135900 27180 69.407 -28518 7607 -36125 -36125 4.2179 -5.2625 -0.29118 2.5773e+05 2024-05-18 14:04:10,006 INFO [main.py:798]
{rank 0/64} MD step = 136000 step time: 00:00:00.328746 Performance: 33.631 ns/day 0.714 hours/ns 1.946 steps/s 2024-05-18 14:04:16,932 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 136000 27200 69.757 -28522 7645.5 -36167 -36167 4.2199 -5.2669 -0.29049 2.5795e+05 2024-05-18 14:04:50,753 INFO [main.py:798]
{rank 0/64} MD step = 136100 step time: 00:00:00.351508 Performance: 33.636 ns/day 0.714 hours/ns 1.947 steps/s 2024-05-18 14:04:58,265 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 136100 27220 69.619 -28415 7630.3 -36046 -36046 4.2229 -5.273 -0.28974 2.5817e+05 2024-05-18 14:05:32,215 INFO [main.py:798]
{rank 0/64} MD step = 136200 step time: 00:00:00.352117 Performance: 33.641 ns/day 0.713 hours/ns 1.947 steps/s 2024-05-18 14:05:38,137 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 136200 27240 69.694 -28474 7638.6 -36113 -36113 4.2259 -5.2774 -0.28944 2.5835e+05 2024-05-18 14:06:12,540 INFO [main.py:798]
{rank 0/64} MD step = 136300 step time: 00:00:00.346164 Performance: 33.646 ns/day 0.713 hours/ns 1.947 steps/s 2024-05-18 14:06:18,405 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 136300 27260 70.399 -28359 7715.8 -36075 -36075 4.2291 -5.2832 -0.28579 2.585e+05 2024-05-18 14:06:53,576 INFO [main.py:798]
{rank 0/64} MD step = 136400 step time: 00:00:00.335716 Performance: 33.651 ns/day 0.713 hours/ns 1.947 steps/s 2024-05-18 14:06:59,382 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 136400 27280 70.703 -28271 7749.1 -36020 -36020 4.2316 -5.288 -0.28321 2.5873e+05 2024-05-18 14:07:34,366 INFO [main.py:798]
{rank 0/64} MD step = 136500 step time: 00:00:00.369526 Performance: 33.656 ns/day 0.713 hours/ns 1.948 steps/s 2024-05-18 14:07:40,448 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 136500 27300 70.689 -28382 7747.7 -36130 -36130 4.2349 -5.2933 -0.27996 2.5893e+05 2024-05-18 14:08:15,298 INFO [main.py:798]
{rank 0/64} MD step = 136600 step time: 00:00:00.343106 Performance: 33.661 ns/day 0.713 hours/ns 1.948 steps/s 2024-05-18 14:08:20,800 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 136600 27320 68.257 -28689 7481 -36170 -36170 4.2375 -5.298 -0.27971 2.5912e+05 2024-05-18 14:08:55,115 INFO [main.py:798]
{rank 0/64} MD step = 136700 step time: 00:00:00.357008 Performance: 33.667 ns/day 0.713 hours/ns 1.948 steps/s 2024-05-18 14:09:00,037 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 136700 27340 70.23 -28477 7697.3 -36174 -36174 4.2409 -5.3036 -0.27888 2.5933e+05 2024-05-18 14:09:34,652 INFO [main.py:798]
{rank 0/64} MD step = 136800 step time: 00:00:00.339644 Performance: 33.672 ns/day 0.713 hours/ns 1.949 steps/s 2024-05-18 14:09:40,078 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 136800 27360 69.519 -28506 7619.3 -36125 -36125 4.2439 -5.3085 -0.27769 2.5955e+05 2024-05-18 14:10:14,319 INFO [main.py:798]
{rank 0/64} MD step = 136900 step time: 00:00:00.352476 Performance: 33.678 ns/day 0.713 hours/ns 1.949 steps/s 2024-05-18 14:10:19,453 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 136900 27380 69.786 -28559 7648.6 -36208 -36208 4.2463 -5.3136 -0.27761 2.5976e+05 2024-05-18 14:10:53,962 INFO [main.py:798]
{rank 0/64} MD step = 137000 step time: 00:00:00.353334 Performance: 33.684 ns/day 0.713 hours/ns 1.949 steps/s 2024-05-18 14:10:58,605 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 137000 27400 69.79 -28518 7649.1 -36167 -36167 4.2479 -5.3189 -0.27741 2.5996e+05 2024-05-18 14:11:33,414 INFO [main.py:798]
{rank 0/64} MD step = 137100 step time: 00:00:00.363611 Performance: 33.689 ns/day 0.712 hours/ns 1.950 steps/s 2024-05-18 14:11:38,549 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 137100 27420 69.17 -28590 7581.1 -36171 -36171 4.2502 -5.3241 -0.27823 2.6017e+05 2024-05-18 14:12:12,826 INFO [main.py:798]
{rank 0/64} MD step = 137200 step time: 00:00:00.352802 Performance: 33.695 ns/day 0.712 hours/ns 1.950 steps/s 2024-05-18 14:12:19,451 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 137200 27440 70.568 -28353 7734.3 -36087 -36087 4.2536 -5.3287 -0.27819 2.6037e+05 2024-05-18 14:12:53,734 INFO [main.py:798]
{rank 0/64} MD step = 137300 step time: 00:00:00.353016 Performance: 33.700 ns/day 0.712 hours/ns 1.950 steps/s 2024-05-18 14:13:04,936 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 137300 27460 69.876 -28281 7658.5 -35939 -35939 4.2566 -5.3351 -0.27625 2.6057e+05 2024-05-18 14:13:39,584 INFO [main.py:798]
{rank 0/64} MD step = 137400 step time: 00:00:00.346413 Performance: 33.703 ns/day 0.712 hours/ns 1.950 steps/s 2024-05-18 14:13:45,652 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 137400 27480 70.889 -28213 7769.5 -35982 -35982 4.2567 -5.3408 -0.2764 2.6073e+05 2024-05-18 14:14:19,933 INFO [main.py:798]
{rank 0/64} MD step = 137500 step time: 00:00:00.340809 Performance: 33.708 ns/day 0.712 hours/ns 1.951 steps/s 2024-05-18 14:14:25,588 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 137500 27500 70.076 -28419 7680.4 -36100 -36100 4.2595 -5.3457 -0.27651 2.6092e+05 2024-05-18 14:14:59,845 INFO [main.py:798]
{rank 0/64} MD step = 137600 step time: 00:00:00.352642 Performance: 33.713 ns/day 0.712 hours/ns 1.951 steps/s 2024-05-18 14:15:05,107 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 137600 27520 70.47 -28443 7723.6 -36166 -36166 4.2618 -5.3517 -0.27483 2.6109e+05 2024-05-18 14:15:39,927 INFO [main.py:798]
{rank 0/64} MD step = 137700 step time: 00:00:00.353057 Performance: 33.719 ns/day 0.712 hours/ns 1.951 steps/s 2024-05-18 14:15:45,796 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 137700 27540 70.28 -28587 7702.7 -36289 -36289 4.2638 -5.3561 -0.27415 2.6124e+05 2024-05-18 14:16:20,236 INFO [main.py:798]
{rank 0/64} MD step = 137800 step time: 00:00:00.348330 Performance: 33.724 ns/day 0.712 hours/ns 1.952 steps/s 2024-05-18 14:16:26,797 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 137800 27560 69.61 -28447 7629.3 -36076 -36076 4.2663 -5.3619 -0.27356 2.6148e+05 2024-05-18 14:17:00,534 INFO [main.py:798]
{rank 0/64} MD step = 137900 step time: 00:00:00.350554 Performance: 33.729 ns/day 0.712 hours/ns 1.952 steps/s 2024-05-18 14:17:06,729 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 137900 27580 70.505 -28299 7727.5 -36027 -36027 4.2682 -5.3666 -0.27194 2.6168e+05 2024-05-18 14:17:40,543 INFO [main.py:798]
{rank 0/64} MD step = 138000 step time: 00:00:00.341866 Performance: 33.734 ns/day 0.711 hours/ns 1.952 steps/s 2024-05-18 14:17:47,497 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138000 27600 70.129 -28474 7686.2 -36160 -36160 4.2697 -5.3723 -0.27082 2.6186e+05 2024-05-18 14:18:22,573 INFO [main.py:798]
{rank 0/64} MD step = 138100 step time: 00:00:00.349051 Performance: 33.739 ns/day 0.711 hours/ns 1.952 steps/s 2024-05-18 14:18:30,719 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138100 27620 71.031 -28422 7785.1 -36207 -36207 4.2703 -5.3782 -0.27101 2.6204e+05 2024-05-18 14:19:04,734 INFO [main.py:798]
{rank 0/64} MD step = 138200 step time: 00:00:00.355913 Performance: 33.743 ns/day 0.711 hours/ns 1.953 steps/s 2024-05-18 14:19:13,043 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138200 27640 70.085 -28425 7681.4 -36107 -36107 4.2723 -5.3826 -0.26971 2.6228e+05 2024-05-18 14:19:47,130 INFO [main.py:798]
{rank 0/64} MD step = 138300 step time: 00:00:00.343786 Performance: 33.747 ns/day 0.711 hours/ns 1.953 steps/s 2024-05-18 14:19:55,669 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138300 27660 70.168 -28322 7690.5 -36012 -36012 4.2763 -5.3867 -0.26853 2.6249e+05 2024-05-18 14:20:29,268 INFO [main.py:798]
{rank 0/64} MD step = 138400 step time: 00:00:00.329981 Performance: 33.752 ns/day 0.711 hours/ns 1.953 steps/s 2024-05-18 14:20:43,061 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138400 27680 71.883 -28234 7878.5 -36112 -36112 4.2802 -5.3913 -0.2679 2.6266e+05 2024-05-18 14:21:18,884 INFO [main.py:798]
{rank 0/64} MD step = 138500 step time: 00:00:00.329358 Performance: 33.752 ns/day 0.711 hours/ns 1.953 steps/s 2024-05-18 14:21:27,022 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138500 27700 69.604 -28582 7628.7 -36211 -36211 4.2821 -5.397 -0.26522 2.6286e+05 2024-05-18 14:22:01,304 INFO [main.py:798]
{rank 0/64} MD step = 138600 step time: 00:00:00.329592 Performance: 33.757 ns/day 0.711 hours/ns 1.954 steps/s 2024-05-18 14:22:11,947 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138600 27720 69.986 -28322 7670.6 -35993 -35993 4.2841 -5.4011 -0.26241 2.6309e+05 2024-05-18 14:22:46,208 INFO [main.py:798]
{rank 0/64} MD step = 138700 step time: 00:00:00.326581 Performance: 33.759 ns/day 0.711 hours/ns 1.954 steps/s 2024-05-18 14:22:57,379 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138700 27740 70.174 -28423 7691.1 -36114 -36114 4.2851 -5.4054 -0.26028 2.6327e+05 2024-05-18 14:23:31,106 INFO [main.py:798]
{rank 0/64} MD step = 138800 step time: 00:00:00.357549 Performance: 33.762 ns/day 0.711 hours/ns 1.954 steps/s 2024-05-18 14:23:47,026 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138800 27760 70.711 -28430 7750 -36180 -36180 4.2863 -5.4101 -0.25817 2.6347e+05 2024-05-18 14:24:21,974 INFO [main.py:798]
{rank 0/64} MD step = 138900 step time: 00:00:00.346901 Performance: 33.763 ns/day 0.711 hours/ns 1.954 steps/s 2024-05-18 14:24:36,721 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138900 27780 69.003 -28620 7562.8 -36183 -36183 4.287 -5.4167 -0.25678 2.6364e+05 2024-05-18 14:25:10,900 INFO [main.py:798]
{rank 0/64} MD step = 139000 step time: 00:00:00.347583 Performance: 33.764 ns/day 0.711 hours/ns 1.954 steps/s 2024-05-18 14:25:21,969 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139000 27800 69.782 -28447 7648.2 -36095 -36095 4.2909 -5.4228 -0.25656 2.6384e+05 2024-05-18 14:25:57,157 INFO [main.py:798]
{rank 0/64} MD step = 139100 step time: 00:00:00.349793 Performance: 33.766 ns/day 0.711 hours/ns 1.954 steps/s 2024-05-18 14:26:08,805 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139100 27820 69.956 -28473 7667.3 -36140 -36140 4.2945 -5.4302 -0.25655 2.6402e+05 2024-05-18 14:26:43,341 INFO [main.py:798]
{rank 0/64} MD step = 139200 step time: 00:00:00.348849 Performance: 33.768 ns/day 0.711 hours/ns 1.954 steps/s 2024-05-18 14:26:52,262 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139200 27840 69.312 -28671 7596.7 -36267 -36267 4.2972 -5.4354 -0.25589 2.6419e+05 2024-05-18 14:27:29,795 INFO [main.py:798]
{rank 0/64} MD step = 139300 step time: 00:00:00.333761 Performance: 33.771 ns/day 0.711 hours/ns 1.954 steps/s 2024-05-18 14:27:41,315 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139300 27860 70.561 -28584 7733.6 -36318 -36318 4.3003 -5.4399 -0.2561 2.6438e+05 2024-05-18 14:28:15,812 INFO [main.py:798]
{rank 0/64} MD step = 139400 step time: 00:00:00.347432 Performance: 33.773 ns/day 0.711 hours/ns 1.954 steps/s 2024-05-18 14:28:29,984 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139400 27880 70.258 -28485 7700.3 -36185 -36185 4.3043 -5.4443 -0.25529 2.6457e+05 2024-05-18 14:29:06,192 INFO [main.py:798]
{rank 0/64} MD step = 139500 step time: 00:00:00.326920 Performance: 33.773 ns/day 0.711 hours/ns 1.954 steps/s 2024-05-18 14:29:14,471 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139500 27900 71.156 -28398 7798.8 -36197 -36197 4.3067 -5.4474 -0.25345 2.6477e+05 2024-05-18 14:29:48,869 INFO [main.py:798]
{rank 0/64} MD step = 139600 step time: 00:00:00.350208 Performance: 33.777 ns/day 0.711 hours/ns 1.955 steps/s 2024-05-18 14:29:58,014 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139600 27920 70.935 -28474 7774.6 -36248 -36248 4.3101 -5.4532 -0.2506 2.6494e+05 2024-05-18 14:30:32,932 INFO [main.py:798]
{rank 0/64} MD step = 139700 step time: 00:00:00.349011 Performance: 33.781 ns/day 0.710 hours/ns 1.955 steps/s 2024-05-18 14:30:38,126 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139700 27940 69.915 -28769 7662.7 -36431 -36431 4.313 -5.4573 -0.24969 2.6508e+05 2024-05-18 14:31:14,487 INFO [main.py:798]
{rank 0/64} MD step = 139800 step time: 00:00:00.350503 Performance: 33.785 ns/day 0.710 hours/ns 1.955 steps/s 2024-05-18 14:31:21,708 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139800 27960 69.533 -28568 7620.9 -36189 -36189 4.3141 -5.4619 -0.2487 2.6532e+05 2024-05-18 14:31:56,180 INFO [main.py:798]
{rank 0/64} MD step = 139900 step time: 00:00:00.348956 Performance: 33.790 ns/day 0.710 hours/ns 1.955 steps/s 2024-05-18 14:32:07,144 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139900 27980 70.955 -28479 7776.8 -36256 -36256 4.3175 -5.468 -0.24832 2.6549e+05 2024-05-18 14:32:42,498 INFO [main.py:798]
{rank 0/64} MD step = 140000 step time: 00:00:00.375972 Performance: 33.792 ns/day 0.710 hours/ns 1.956 steps/s 2024-05-18 14:32:57,763 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 140000 28000 69.546 -28532 7622.4 -36155 -36155 4.3182 -5.4727 -0.24725 2.6571e+05 2024-05-18 14:33:32,393 INFO [main.py:798]
{rank 0/64} MD step = 140100 step time: 00:00:00.353409 Performance: 33.793 ns/day 0.710 hours/ns 1.956 steps/s 2024-05-18 14:33:39,568 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 140100 28020 70.569 -28505 7734.5 -36240 -36240 4.3198 -5.4775 -0.24567 2.6591e+05 2024-05-18 14:34:14,306 INFO [main.py:798]
{rank 0/64} MD step = 140200 step time: 00:00:00.346256 Performance: 33.797 ns/day 0.710 hours/ns 1.956 steps/s 2024-05-18 14:34:22,269 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 140200 28040 69.627 -28700 7631.2 -36331 -36331 4.3233 -5.482 -0.24594 2.6612e+05 2024-05-18 14:34:56,552 INFO [main.py:798]
{rank 0/64} MD step = 140300 step time: 00:00:00.333500 Performance: 33.801 ns/day 0.710 hours/ns 1.956 steps/s 2024-05-18 14:35:04,623 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 140300 28060 69.805 -28592 7650.7 -36243 -36243 4.3261 -5.4855 -0.24356 2.6628e+05 2024-05-18 14:35:39,577 INFO [main.py:798]
{rank 0/64} MD step = 140400 step time: 00:00:00.355744 Performance: 33.805 ns/day 0.710 hours/ns 1.956 steps/s 2024-05-18 14:35:56,030 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 140400 28080 69.528 -28779 7620.3 -36400 -36400 4.3295 -5.4901 -0.2438 2.6644e+05 2024-05-18 14:36:30,552 INFO [main.py:798]
{rank 0/64} MD step = 140500 step time: 00:00:00.339576 Performance: 33.805 ns/day 0.710 hours/ns 1.956 steps/s 2024-05-18 14:36:42,125 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 140500 28100 70.309 -28424 7705.9 -36130 -36130 4.3321 -5.4932 -0.24062 2.6663e+05 2024-05-18 14:37:16,636 INFO [main.py:798]
{rank 0/64} MD step = 140600 step time: 00:00:00.353708 Performance: 33.807 ns/day 0.710 hours/ns 1.956 steps/s 2024-05-18 14:37:29,575 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 140600 28120 70.224 -28667 7696.6 -36363 -36363 4.3347 -5.4994 -0.23919 2.6678e+05 2024-05-18 14:38:03,471 INFO [main.py:798]
{rank 0/64} MD step = 140700 step time: 00:00:00.351277 Performance: 33.809 ns/day 0.710 hours/ns 1.957 steps/s 2024-05-18 14:38:14,916 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 140700 28140 70.227 -28456 7696.9 -36153 -36153 4.335 -5.5052 -0.23773 2.6703e+05 2024-05-18 14:38:49,036 INFO [main.py:798]
{rank 0/64} MD step = 140800 step time: 00:00:00.337860 Performance: 33.812 ns/day 0.710 hours/ns 1.957 steps/s 2024-05-18 14:38:59,261 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 140800 28160 69.958 -28549 7667.4 -36216 -36216 4.3364 -5.5102 -0.23695 2.6721e+05 2024-05-18 14:39:34,376 INFO [main.py:798]
{rank 0/64} MD step = 140900 step time: 00:00:00.358608 Performance: 33.815 ns/day 0.710 hours/ns 1.957 steps/s 2024-05-18 14:39:44,525 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 140900 28180 70.414 -28557 7717.5 -36274 -36274 4.3375 -5.5139 -0.23672 2.6736e+05 2024-05-18 14:40:19,278 INFO [main.py:798]
{rank 0/64} MD step = 141000 step time: 00:00:00.344896 Performance: 33.818 ns/day 0.710 hours/ns 1.957 steps/s 2024-05-18 14:40:29,044 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141000 28200 71.228 -28378 7806.7 -36185 -36185 4.3411 -5.5197 -0.23518 2.6757e+05 2024-05-18 14:41:05,181 INFO [main.py:798]
{rank 0/64} MD step = 141100 step time: 00:00:00.368730 Performance: 33.820 ns/day 0.710 hours/ns 1.957 steps/s 2024-05-18 14:41:13,518 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141100 28220 69.492 -28652 7616.4 -36269 -36269 4.3426 -5.5237 -0.23358 2.6774e+05 2024-05-18 14:41:47,990 INFO [main.py:798]
{rank 0/64} MD step = 141200 step time: 00:00:00.345077 Performance: 33.824 ns/day 0.710 hours/ns 1.957 steps/s 2024-05-18 14:41:56,217 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141200 28240 70.889 -28416 7769.5 -36185 -36185 4.3445 -5.5289 -0.23165 2.6796e+05 2024-05-18 14:42:30,472 INFO [main.py:798]
{rank 0/64} MD step = 141300 step time: 00:00:00.351283 Performance: 33.828 ns/day 0.709 hours/ns 1.958 steps/s 2024-05-18 14:42:45,500 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141300 28260 70.712 -28478 7750.2 -36228 -36228 4.3463 -5.5342 -0.23063 2.6817e+05 2024-05-18 14:43:19,942 INFO [main.py:798]
{rank 0/64} MD step = 141400 step time: 00:00:00.358300 Performance: 33.829 ns/day 0.709 hours/ns 1.958 steps/s 2024-05-18 14:43:32,219 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141400 28280 71.376 -28508 7822.9 -36331 -36331 4.349 -5.5413 -0.22941 2.6836e+05 2024-05-18 14:44:06,293 INFO [main.py:798]
{rank 0/64} MD step = 141500 step time: 00:00:00.348360 Performance: 33.831 ns/day 0.709 hours/ns 1.958 steps/s 2024-05-18 14:44:15,118 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141500 28300 68.2 -28698 7474.8 -36173 -36173 4.3514 -5.5467 -0.22921 2.686e+05 2024-05-18 14:44:50,107 INFO [main.py:798]
{rank 0/64} MD step = 141600 step time: 00:00:00.344324 Performance: 33.834 ns/day 0.709 hours/ns 1.958 steps/s 2024-05-18 14:44:58,768 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141600 28320 69.632 -28664 7631.8 -36296 -36296 4.3537 -5.553 -0.22916 2.6875e+05 2024-05-18 14:45:35,504 INFO [main.py:798]
{rank 0/64} MD step = 141700 step time: 00:00:00.369093 Performance: 33.837 ns/day 0.709 hours/ns 1.958 steps/s 2024-05-18 14:45:44,002 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141700 28340 68.743 -28866 7534.3 -36401 -36401 4.3544 -5.558 -0.22817 2.6893e+05 2024-05-18 14:46:18,936 INFO [main.py:798]
{rank 0/64} MD step = 141800 step time: 00:00:00.350391 Performance: 33.841 ns/day 0.709 hours/ns 1.958 steps/s 2024-05-18 14:46:26,548 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141800 28360 69.748 -28622 7644.5 -36267 -36267 4.3554 -5.5637 -0.22668 2.6914e+05 2024-05-18 14:47:00,522 INFO [main.py:798]
{rank 0/64} MD step = 141900 step time: 00:00:00.328961 Performance: 33.845 ns/day 0.709 hours/ns 1.959 steps/s 2024-05-18 14:47:09,587 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141900 28380 69.276 -28637 7592.8 -36230 -36230 4.3564 -5.5677 -0.22693 2.6932e+05 2024-05-18 14:47:44,183 INFO [main.py:798]
{rank 0/64} MD step = 142000 step time: 00:00:00.325999 Performance: 33.849 ns/day 0.709 hours/ns 1.959 steps/s 2024-05-18 14:48:02,738 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 142000 28400 69.854 -28500 7656.1 -36156 -36156 4.3602 -5.5722 -0.22542 2.695e+05 2024-05-18 14:48:38,592 INFO [main.py:798]
{rank 0/64} MD step = 142100 step time: 00:00:00.374106 Performance: 33.847 ns/day 0.709 hours/ns 1.959 steps/s 2024-05-18 14:48:48,077 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 142100 28420 68.832 -28619 7544.1 -36163 -36163 4.3627 -5.5776 -0.22474 2.6974e+05 2024-05-18 14:49:24,083 INFO [main.py:798]
{rank 0/64} MD step = 142200 step time: 00:00:00.377257 Performance: 33.850 ns/day 0.709 hours/ns 1.959 steps/s 2024-05-18 14:49:33,657 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 142200 28440 70.463 -28508 7722.8 -36231 -36231 4.3648 -5.5813 -0.22314 2.699e+05 2024-05-18 14:50:08,217 INFO [main.py:798]
{rank 0/64} MD step = 142300 step time: 00:00:00.346147 Performance: 33.853 ns/day 0.709 hours/ns 1.959 steps/s 2024-05-18 14:50:16,929 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 142300 28460 68.311 -28658 7487 -36145 -36145 4.3673 -5.5872 -0.22377 2.7008e+05 2024-05-18 14:50:57,894 INFO [main.py:798]
{rank 0/64} MD step = 142400 step time: 00:00:00.350806 Performance: 33.853 ns/day 0.709 hours/ns 1.959 steps/s 2024-05-18 14:51:05,049 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 142400 28480 70.915 -28561 7772.3 -36333 -36333 4.3687 -5.5923 -0.22201 2.7025e+05 2024-05-18 14:51:39,415 INFO [main.py:798]
{rank 0/64} MD step = 142500 step time: 00:00:00.354987 Performance: 33.858 ns/day 0.709 hours/ns 1.959 steps/s 2024-05-18 14:51:48,737 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 142500 28500 70.508 -28574 7727.7 -36301 -36301 4.3714 -5.5987 -0.22032 2.7043e+05 2024-05-18 14:52:23,298 INFO [main.py:798]
{rank 0/64} MD step = 142600 step time: 00:00:00.361430 Performance: 33.861 ns/day 0.709 hours/ns 1.960 steps/s 2024-05-18 14:52:29,813 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 142600 28520 70.028 -28508 7675.2 -36183 -36183 4.3729 -5.6038 -0.21945 2.7063e+05 2024-05-18 14:53:04,101 INFO [main.py:798]
{rank 0/64} MD step = 142700 step time: 00:00:00.341227 Performance: 33.866 ns/day 0.709 hours/ns 1.960 steps/s 2024-05-18 14:53:12,211 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 142700 28540 70.847 -28343 7765 -36108 -36108 4.3751 -5.6097 -0.21931 2.7084e+05 2024-05-18 14:53:45,271 INFO [main.py:798]
{rank 0/64} MD step = 142800 step time: 00:00:00.352983 Performance: 33.870 ns/day 0.709 hours/ns 1.960 steps/s 2024-05-18 14:53:53,356 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 142800 28560 70.188 -28456 7692.7 -36149 -36149 4.377 -5.6151 -0.21837 2.7099e+05 2024-05-18 14:54:27,737 INFO [main.py:798]
{rank 0/64} MD step = 142900 step time: 00:00:00.338138 Performance: 33.874 ns/day 0.708 hours/ns 1.960 steps/s 2024-05-18 14:54:34,808 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 142900 28580 69.362 -28670 7602.1 -36272 -36272 4.3802 -5.6211 -0.21796 2.712e+05 2024-05-18 14:55:09,133 INFO [main.py:798]
{rank 0/64} MD step = 143000 step time: 00:00:00.334695 Performance: 33.879 ns/day 0.708 hours/ns 1.961 steps/s 2024-05-18 14:55:15,936 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 143000 28600 69.981 -28658 7670 -36328 -36328 4.3808 -5.6274 -0.21658 2.7137e+05 2024-05-18 14:55:50,932 INFO [main.py:798]
{rank 0/64} MD step = 143100 step time: 00:00:00.357877 Performance: 33.883 ns/day 0.708 hours/ns 1.961 steps/s 2024-05-18 14:55:57,504 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 143100 28620 70.559 -28517 7733.4 -36250 -36250 4.382 -5.6322 -0.21672 2.7158e+05 2024-05-18 14:56:31,572 INFO [main.py:798]
{rank 0/64} MD step = 143200 step time: 00:00:00.349394 Performance: 33.888 ns/day 0.708 hours/ns 1.961 steps/s 2024-05-18 14:56:37,088 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 143200 28640 70.257 -28467 7700.3 -36168 -36168 4.3859 -5.6366 -0.21527 2.7179e+05 2024-05-18 14:57:11,555 INFO [main.py:798]
{rank 0/64} MD step = 143300 step time: 00:00:00.356534 Performance: 33.893 ns/day 0.708 hours/ns 1.961 steps/s 2024-05-18 14:57:15,766 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 143300 28660 70.423 -28371 7718.4 -36089 -36089 4.3886 -5.6412 -0.21544 2.7198e+05 2024-05-18 14:57:51,725 INFO [main.py:798]
{rank 0/64} MD step = 143400 step time: 00:00:00.347793 Performance: 33.898 ns/day 0.708 hours/ns 1.962 steps/s 2024-05-18 14:57:56,868 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 143400 28680 70.626 -28417 7740.7 -36157 -36157 4.3891 -5.6475 -0.21472 2.7218e+05 2024-05-18 14:58:31,856 INFO [main.py:798]
{rank 0/64} MD step = 143500 step time: 00:00:00.355741 Performance: 33.903 ns/day 0.708 hours/ns 1.962 steps/s 2024-05-18 14:58:37,529 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 143500 28700 70.15 -28523 7688.6 -36212 -36212 4.392 -5.6519 -0.21367 2.7237e+05 2024-05-18 14:59:12,170 INFO [main.py:798]
{rank 0/64} MD step = 143600 step time: 00:00:00.333743 Performance: 33.908 ns/day 0.708 hours/ns 1.962 steps/s 2024-05-18 14:59:17,669 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 143600 28720 71.258 -28397 7809.9 -36207 -36207 4.3953 -5.6585 -0.21175 2.7256e+05 2024-05-18 14:59:53,468 INFO [main.py:798]
{rank 0/64} MD step = 143700 step time: 00:00:00.333028 Performance: 33.913 ns/day 0.708 hours/ns 1.963 steps/s 2024-05-18 14:59:59,207 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 143700 28740 70.798 -28387 7759.6 -36147 -36147 4.3949 -5.6639 -0.21042 2.7274e+05 2024-05-18 15:00:33,294 INFO [main.py:798]
{rank 0/64} MD step = 143800 step time: 00:00:00.369494 Performance: 33.918 ns/day 0.708 hours/ns 1.963 steps/s 2024-05-18 15:00:37,657 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 143800 28760 70.218 -28509 7696 -36205 -36205 4.3955 -5.6684 -0.20813 2.7292e+05 2024-05-18 15:01:13,411 INFO [main.py:798]
{rank 0/64} MD step = 143900 step time: 00:00:00.360300 Performance: 33.923 ns/day 0.707 hours/ns 1.963 steps/s 2024-05-18 15:01:18,731 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 143900 28780 69.818 -28423 7652.1 -36076 -36076 4.3981 -5.6732 -0.20733 2.7312e+05 2024-05-18 15:01:52,986 INFO [main.py:798]
{rank 0/64} MD step = 144000 step time: 00:00:00.372224 Performance: 33.928 ns/day 0.707 hours/ns 1.963 steps/s 2024-05-18 15:01:58,178 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144000 28800 69.264 -28579 7591.5 -36170 -36170 4.3985 -5.6765 -0.20664 2.7326e+05 2024-05-18 15:02:32,767 INFO [main.py:798]
{rank 0/64} MD step = 144100 step time: 00:00:00.350621 Performance: 33.933 ns/day 0.707 hours/ns 1.964 steps/s 2024-05-18 15:02:38,679 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144100 28820 69.718 -28489 7641.2 -36130 -36130 4.4005 -5.682 -0.20536 2.7346e+05 2024-05-18 15:03:12,880 INFO [main.py:798]
{rank 0/64} MD step = 144200 step time: 00:00:00.333372 Performance: 33.938 ns/day 0.707 hours/ns 1.964 steps/s 2024-05-18 15:03:18,703 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144200 28840 70.63 -28513 7741.1 -36254 -36254 4.4037 -5.688 -0.20386 2.7363e+05 2024-05-18 15:03:52,805 INFO [main.py:798]
{rank 0/64} MD step = 144300 step time: 00:00:00.346916 Performance: 33.943 ns/day 0.707 hours/ns 1.964 steps/s 2024-05-18 15:03:58,540 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144300 28860 70.342 -28461 7709.5 -36171 -36171 4.4048 -5.6935 -0.20354 2.7384e+05 2024-05-18 15:04:34,745 INFO [main.py:798]
{rank 0/64} MD step = 144400 step time: 00:00:00.336083 Performance: 33.947 ns/day 0.707 hours/ns 1.965 steps/s 2024-05-18 15:04:42,352 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144400 28880 69.688 -28504 7637.9 -36141 -36141 4.4079 -5.6975 -0.20283 2.7398e+05 2024-05-18 15:05:16,941 INFO [main.py:798]
{rank 0/64} MD step = 144500 step time: 00:00:00.344174 Performance: 33.951 ns/day 0.707 hours/ns 1.965 steps/s 2024-05-18 15:05:24,115 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144500 28900 69.027 -28518 7565.4 -36084 -36084 4.4113 -5.7031 -0.20302 2.7413e+05 2024-05-18 15:05:58,285 INFO [main.py:798]
{rank 0/64} MD step = 144600 step time: 00:00:00.339602 Performance: 33.956 ns/day 0.707 hours/ns 1.965 steps/s 2024-05-18 15:06:08,883 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144600 28920 69.804 -28613 7650.6 -36264 -36264 4.4146 -5.7065 -0.20131 2.7428e+05 2024-05-18 15:06:42,291 INFO [main.py:798]
{rank 0/64} MD step = 144700 step time: 00:00:00.326305 Performance: 33.959 ns/day 0.707 hours/ns 1.965 steps/s 2024-05-18 15:06:52,777 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144700 28940 70.392 -28398 7715.1 -36113 -36113 4.4175 -5.7125 -0.19976 2.7449e+05 2024-05-18 15:07:27,231 INFO [main.py:798]
{rank 0/64} MD step = 144800 step time: 00:00:00.325198 Performance: 33.962 ns/day 0.707 hours/ns 1.965 steps/s 2024-05-18 15:07:37,261 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144800 28960 68.942 -28603 7556.1 -36159 -36159 4.4207 -5.7199 -0.19902 2.7467e+05 2024-05-18 15:08:11,534 INFO [main.py:798]
{rank 0/64} MD step = 144900 step time: 00:00:00.326466 Performance: 33.965 ns/day 0.707 hours/ns 1.966 steps/s 2024-05-18 15:08:23,731 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144900 28980 69.229 -28436 7587.6 -36024 -36024 4.4225 -5.7237 -0.19729 2.7487e+05 2024-05-18 15:09:00,591 INFO [main.py:798]
{rank 0/64} MD step = 145000 step time: 00:00:00.351085 Performance: 33.966 ns/day 0.707 hours/ns 1.966 steps/s 2024-05-18 15:09:07,049 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 145000 29000 70.671 -28107 7745.7 -35853 -35853 4.4267 -5.7293 -0.19809 2.7509e+05 2024-05-18 15:09:40,991 INFO [main.py:798]
{rank 0/64} MD step = 145100 step time: 00:00:00.326608 Performance: 33.970 ns/day 0.706 hours/ns 1.966 steps/s 2024-05-18 15:09:53,816 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 145100 29020 69.712 -28230 7640.5 -35871 -35871 4.4296 -5.734 -0.19697 2.7528e+05 2024-05-18 15:10:28,529 INFO [main.py:798]
{rank 0/64} MD step = 145200 step time: 00:00:00.352339 Performance: 33.972 ns/day 0.706 hours/ns 1.966 steps/s 2024-05-18 15:10:37,472 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 145200 29040 69.526 -28491 7620.1 -36111 -36111 4.4311 -5.7378 -0.19502 2.7543e+05 2024-05-18 15:11:12,130 INFO [main.py:798]
{rank 0/64} MD step = 145300 step time: 00:00:00.356437 Performance: 33.975 ns/day 0.706 hours/ns 1.966 steps/s 2024-05-18 15:11:21,679 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 145300 29060 69.558 -28455 7623.7 -36079 -36079 4.4337 -5.7426 -0.19405 2.7561e+05 2024-05-18 15:11:56,945 INFO [main.py:798]
{rank 0/64} MD step = 145400 step time: 00:00:00.349326 Performance: 33.978 ns/day 0.706 hours/ns 1.966 steps/s 2024-05-18 15:12:06,584 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 145400 29080 70.802 -28163 7760 -35923 -35923 4.4349 -5.7486 -0.19319 2.7579e+05 2024-05-18 15:12:40,340 INFO [main.py:798]
{rank 0/64} MD step = 145500 step time: 00:00:00.346116 Performance: 33.981 ns/day 0.706 hours/ns 1.967 steps/s 2024-05-18 15:12:47,473 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 145500 29100 70.176 -28399 7691.4 -36090 -36090 4.4362 -5.7519 -0.19203 2.7595e+05 2024-05-18 15:13:21,953 INFO [main.py:798]
{rank 0/64} MD step = 145600 step time: 00:00:00.358268 Performance: 33.986 ns/day 0.706 hours/ns 1.967 steps/s 2024-05-18 15:13:35,075 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 145600 29120 69.389 -28439 7605.1 -36044 -36044 4.4374 -5.7558 -0.19134 2.7614e+05 2024-05-18 15:14:10,082 INFO [main.py:798]
{rank 0/64} MD step = 145700 step time: 00:00:00.348477 Performance: 33.987 ns/day 0.706 hours/ns 1.967 steps/s 2024-05-18 15:14:17,838 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 145700 29140 69.702 -28447 7639.4 -36086 -36086 4.4395 -5.7606 -0.19148 2.7632e+05 2024-05-18 15:14:52,353 INFO [main.py:798]
{rank 0/64} MD step = 145800 step time: 00:00:00.347886 Performance: 33.991 ns/day 0.706 hours/ns 1.967 steps/s 2024-05-18 15:15:01,039 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 145800 29160 70.587 -28272 7736.5 -36008 -36008 4.4409 -5.7643 -0.19054 2.7652e+05 2024-05-18 15:15:35,288 INFO [main.py:798]
{rank 0/64} MD step = 145900 step time: 00:00:00.343727 Performance: 33.995 ns/day 0.706 hours/ns 1.967 steps/s 2024-05-18 15:15:45,095 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 145900 29180 69.255 -28429 7590.5 -36019 -36019 4.4439 -5.7696 -0.19003 2.7673e+05 2024-05-18 15:16:19,597 INFO [main.py:798]
{rank 0/64} MD step = 146000 step time: 00:00:00.358724 Performance: 33.997 ns/day 0.706 hours/ns 1.967 steps/s 2024-05-18 15:16:27,347 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146000 29200 69.771 -28492 7647 -36139 -36139 4.4461 -5.7757 -0.18919 2.7688e+05 2024-05-18 15:17:02,033 INFO [main.py:798]
{rank 0/64} MD step = 146100 step time: 00:00:00.354414 Performance: 34.001 ns/day 0.706 hours/ns 1.968 steps/s 2024-05-18 15:17:06,084 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146100 29220 71.156 -28191 7798.8 -35990 -35990 4.4482 -5.7824 -0.18628 2.7708e+05 2024-05-18 15:17:43,662 INFO [main.py:798]
{rank 0/64} MD step = 146200 step time: 00:00:00.338165 Performance: 34.006 ns/day 0.706 hours/ns 1.968 steps/s 2024-05-18 15:17:49,284 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146200 29240 70.1 -28350 7683 -36033 -36033 4.4504 -5.7897 -0.18633 2.7725e+05 2024-05-18 15:18:24,769 INFO [main.py:798]
{rank 0/64} MD step = 146300 step time: 00:00:00.382002 Performance: 34.010 ns/day 0.706 hours/ns 1.968 steps/s 2024-05-18 15:18:31,936 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146300 29260 69.452 -28488 7612 -36100 -36100 4.454 -5.7951 -0.18628 2.7738e+05 2024-05-18 15:19:07,943 INFO [main.py:798]
{rank 0/64} MD step = 146400 step time: 00:00:00.370690 Performance: 34.013 ns/day 0.706 hours/ns 1.968 steps/s 2024-05-18 15:19:13,603 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146400 29280 70.121 -28337 7685.3 -36023 -36023 4.4557 -5.8008 -0.18588 2.7758e+05 2024-05-18 15:19:47,773 INFO [main.py:798]
{rank 0/64} MD step = 146500 step time: 00:00:00.342833 Performance: 34.018 ns/day 0.705 hours/ns 1.969 steps/s 2024-05-18 15:19:51,813 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146500 29300 69.47 -28350 7614 -35964 -35964 4.4575 -5.8057 -0.18577 2.7781e+05 2024-05-18 15:20:28,011 INFO [main.py:798]
{rank 0/64} MD step = 146600 step time: 00:00:00.370629 Performance: 34.023 ns/day 0.705 hours/ns 1.969 steps/s 2024-05-18 15:20:33,417 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146600 29320 68.829 -28403 7543.7 -35947 -35947 4.4607 -5.8099 -0.18595 2.7799e+05 2024-05-18 15:21:07,494 INFO [main.py:798]
{rank 0/64} MD step = 146700 step time: 00:00:00.340995 Performance: 34.028 ns/day 0.705 hours/ns 1.969 steps/s 2024-05-18 15:21:15,968 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146700 29340 69.056 -28462 7568.6 -36031 -36031 4.4644 -5.814 -0.18492 2.7816e+05 2024-05-18 15:21:50,353 INFO [main.py:798]
{rank 0/64} MD step = 146800 step time: 00:00:00.350277 Performance: 34.032 ns/day 0.705 hours/ns 1.969 steps/s 2024-05-18 15:21:56,692 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146800 29360 69.206 -28402 7585 -35987 -35987 4.4653 -5.82 -0.18397 2.7836e+05 2024-05-18 15:22:31,239 INFO [main.py:798]
{rank 0/64} MD step = 146900 step time: 00:00:00.343114 Performance: 34.037 ns/day 0.705 hours/ns 1.970 steps/s 2024-05-18 15:22:38,190 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146900 29380 69.448 -28333 7611.6 -35945 -35945 4.4677 -5.8253 -0.18401 2.7858e+05 2024-05-18 15:23:12,725 INFO [main.py:798]
{rank 0/64} MD step = 147000 step time: 00:00:00.348871 Performance: 34.041 ns/day 0.705 hours/ns 1.970 steps/s 2024-05-18 15:23:19,132 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147000 29400 70.767 -28307 7756.2 -36063 -36063 4.469 -5.8303 -0.18443 2.7877e+05 2024-05-18 15:23:53,365 INFO [main.py:798]
{rank 0/64} MD step = 147100 step time: 00:00:00.348470 Performance: 34.045 ns/day 0.705 hours/ns 1.970 steps/s 2024-05-18 15:23:59,788 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147100 29420 70.236 -28355 7698 -36053 -36053 4.4703 -5.8348 -0.18357 2.7897e+05 2024-05-18 15:24:33,871 INFO [main.py:798]
{rank 0/64} MD step = 147200 step time: 00:00:00.349223 Performance: 34.050 ns/day 0.705 hours/ns 1.970 steps/s 2024-05-18 15:24:44,957 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147200 29440 70.189 -28325 7692.8 -36017 -36017 4.4734 -5.8395 -0.18198 2.7915e+05 2024-05-18 15:25:20,930 INFO [main.py:798]
{rank 0/64} MD step = 147300 step time: 00:00:00.348015 Performance: 34.052 ns/day 0.705 hours/ns 1.971 steps/s 2024-05-18 15:25:27,177 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147300 29460 69.82 -28486 7652.3 -36138 -36138 4.4745 -5.8448 -0.18011 2.7933e+05 2024-05-18 15:26:01,899 INFO [main.py:798]
{rank 0/64} MD step = 147400 step time: 00:00:00.326428 Performance: 34.056 ns/day 0.705 hours/ns 1.971 steps/s 2024-05-18 15:26:07,560 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147400 29480 69.636 -28519 7632.2 -36151 -36151 4.4766 -5.8494 -0.1794 2.7953e+05 2024-05-18 15:26:41,744 INFO [main.py:798]
{rank 0/64} MD step = 147500 step time: 00:00:00.355687 Performance: 34.061 ns/day 0.705 hours/ns 1.971 steps/s 2024-05-18 15:26:47,447 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147500 29500 70.093 -28419 7682.2 -36101 -36101 4.4787 -5.8535 -0.17771 2.7976e+05 2024-05-18 15:27:21,355 INFO [main.py:798]
{rank 0/64} MD step = 147600 step time: 00:00:00.343920 Performance: 34.066 ns/day 0.705 hours/ns 1.971 steps/s 2024-05-18 15:27:26,753 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147600 29520 69.3 -28480 7595.3 -36075 -36075 4.4819 -5.8593 -0.17668 2.7996e+05 2024-05-18 15:28:01,127 INFO [main.py:798]
{rank 0/64} MD step = 147700 step time: 00:00:00.354040 Performance: 34.071 ns/day 0.704 hours/ns 1.972 steps/s 2024-05-18 15:28:05,051 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147700 29540 69.645 -28572 7633.2 -36205 -36205 4.4845 -5.8639 -0.17602 2.8014e+05 2024-05-18 15:28:40,908 INFO [main.py:798]
{rank 0/64} MD step = 147800 step time: 00:00:00.346034 Performance: 34.076 ns/day 0.704 hours/ns 1.972 steps/s 2024-05-18 15:28:46,490 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147800 29560 69.837 -28437 7654.2 -36091 -36091 4.4887 -5.8691 -0.175 2.8033e+05 2024-05-18 15:29:21,426 INFO [main.py:798]
{rank 0/64} MD step = 147900 step time: 00:00:00.354257 Performance: 34.081 ns/day 0.704 hours/ns 1.972 steps/s 2024-05-18 15:29:27,637 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147900 29580 70.274 -28567 7702.1 -36269 -36269 4.4924 -5.8751 -0.17491 2.8052e+05 2024-05-18 15:30:01,704 INFO [main.py:798]
{rank 0/64} MD step = 148000 step time: 00:00:00.358590 Performance: 34.086 ns/day 0.704 hours/ns 1.973 steps/s 2024-05-18 15:30:08,238 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148000 29600 69.237 -28480 7588.5 -36068 -36068 4.4944 -5.8808 -0.17635 2.8073e+05 2024-05-18 15:30:42,717 INFO [main.py:798]
{rank 0/64} MD step = 148100 step time: 00:00:00.348787 Performance: 34.090 ns/day 0.704 hours/ns 1.973 steps/s 2024-05-18 15:30:50,351 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148100 29620 69.963 -28435 7668 -36103 -36103 4.4978 -5.8848 -0.17799 2.8093e+05 2024-05-18 15:31:24,916 INFO [main.py:798]
{rank 0/64} MD step = 148200 step time: 00:00:00.363802 Performance: 34.094 ns/day 0.704 hours/ns 1.973 steps/s 2024-05-18 15:31:29,861 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148200 29640 69.792 -28439 7649.3 -36089 -36089 4.5008 -5.8915 -0.17732 2.811e+05 2024-05-18 15:32:04,548 INFO [main.py:798]
{rank 0/64} MD step = 148300 step time: 00:00:00.356912 Performance: 34.099 ns/day 0.704 hours/ns 1.973 steps/s 2024-05-18 15:32:10,257 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148300 29660 70.283 -28408 7703.1 -36111 -36111 4.502 -5.8979 -0.17567 2.8132e+05 2024-05-18 15:32:44,862 INFO [main.py:798]
{rank 0/64} MD step = 148400 step time: 00:00:00.357237 Performance: 34.104 ns/day 0.704 hours/ns 1.974 steps/s 2024-05-18 15:32:50,924 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148400 29680 70.133 -28573 7686.7 -36260 -36260 4.5031 -5.9022 -0.17397 2.8148e+05 2024-05-18 15:33:24,780 INFO [main.py:798]
{rank 0/64} MD step = 148500 step time: 00:00:00.356956 Performance: 34.108 ns/day 0.704 hours/ns 1.974 steps/s 2024-05-18 15:33:30,168 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148500 29700 70.816 -28317 7761.5 -36079 -36079 4.5052 -5.9084 -0.17283 2.8168e+05 2024-05-18 15:34:05,037 INFO [main.py:798]
{rank 0/64} MD step = 148600 step time: 00:00:00.356552 Performance: 34.113 ns/day 0.704 hours/ns 1.974 steps/s 2024-05-18 15:34:10,886 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148600 29720 70.203 -28420 7694.3 -36115 -36115 4.5096 -5.9136 -0.17201 2.8189e+05 2024-05-18 15:34:45,633 INFO [main.py:798]
{rank 0/64} MD step = 148700 step time: 00:00:00.375608 Performance: 34.118 ns/day 0.703 hours/ns 1.974 steps/s 2024-05-18 15:34:53,033 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148700 29740 69.348 -28547 7600.6 -36147 -36147 4.5098 -5.9203 -0.1706 2.8207e+05 2024-05-18 15:35:27,571 INFO [main.py:798]
{rank 0/64} MD step = 148800 step time: 00:00:00.343666 Performance: 34.122 ns/day 0.703 hours/ns 1.975 steps/s 2024-05-18 15:35:33,342 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148800 29760 69.563 -28480 7624.1 -36104 -36104 4.5133 -5.9264 -0.17048 2.8227e+05 2024-05-18 15:36:07,794 INFO [main.py:798]
{rank 0/64} MD step = 148900 step time: 00:00:00.346598 Performance: 34.126 ns/day 0.703 hours/ns 1.975 steps/s 2024-05-18 15:36:34,462 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148900 29780 70.179 -28327 7691.7 -36019 -36019 4.5161 -5.9312 -0.16887 2.8246e+05 2024-05-18 15:37:10,689 INFO [main.py:798]
{rank 0/64} MD step = 149000 step time: 00:00:00.326982 Performance: 34.121 ns/day 0.703 hours/ns 1.975 steps/s 2024-05-18 15:37:22,768 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 149000 29800 69.973 -28423 7669.2 -36092 -36092 4.5201 -5.937 -0.16661 2.8265e+05 2024-05-18 15:37:57,474 INFO [main.py:798]
{rank 0/64} MD step = 149100 step time: 00:00:00.351827 Performance: 34.123 ns/day 0.703 hours/ns 1.975 steps/s 2024-05-18 15:38:08,749 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 149100 29820 70.697 -28372 7748.5 -36120 -36120 4.5231 -5.9435 -0.16671 2.8287e+05 2024-05-18 15:38:43,618 INFO [main.py:798]
{rank 0/64} MD step = 149200 step time: 00:00:00.340047 Performance: 34.125 ns/day 0.703 hours/ns 1.975 steps/s 2024-05-18 15:38:54,671 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 149200 29840 69.839 -28528 7654.5 -36182 -36182 4.5264 -5.9487 -0.16576 2.8304e+05 2024-05-18 15:39:29,350 INFO [main.py:798]
{rank 0/64} MD step = 149300 step time: 00:00:00.339066 Performance: 34.127 ns/day 0.703 hours/ns 1.975 steps/s 2024-05-18 15:39:37,546 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 149300 29860 70.594 -28451 7737.2 -36188 -36188 4.5288 -5.9536 -0.16379 2.8323e+05 2024-05-18 15:40:12,205 INFO [main.py:798]
{rank 0/64} MD step = 149400 step time: 00:00:00.366704 Performance: 34.130 ns/day 0.703 hours/ns 1.975 steps/s 2024-05-18 15:40:33,181 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 149400 29880 70.234 -28581 7697.7 -36279 -36279 4.531 -5.9585 -0.16344 2.8339e+05 2024-05-18 15:41:07,513 INFO [main.py:798]
{rank 0/64} MD step = 149500 step time: 00:00:00.343066 Performance: 34.128 ns/day 0.703 hours/ns 1.975 steps/s 2024-05-18 15:41:13,322 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 149500 29900 68.452 -28539 7502.5 -36041 -36041 4.5324 -5.9647 -0.16489 2.8362e+05 2024-05-18 15:41:47,690 INFO [main.py:798]
{rank 0/64} MD step = 149600 step time: 00:00:00.348608 Performance: 34.133 ns/day 0.703 hours/ns 1.975 steps/s 2024-05-18 15:41:53,960 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 149600 29920 69.043 -28582 7567.2 -36149 -36149 4.5349 -5.9698 -0.16459 2.8382e+05 2024-05-18 15:42:27,750 INFO [main.py:798]
{rank 0/64} MD step = 149700 step time: 00:00:00.327254 Performance: 34.138 ns/day 0.703 hours/ns 1.976 steps/s 2024-05-18 15:42:32,903 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 149700 29940 69.587 -28402 7626.8 -36029 -36029 4.5349 -5.9737 -0.16468 2.8406e+05 2024-05-18 15:43:07,501 INFO [main.py:798]
{rank 0/64} MD step = 149800 step time: 00:00:00.339998 Performance: 34.143 ns/day 0.703 hours/ns 1.976 steps/s 2024-05-18 15:43:16,084 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 149800 29960 70.155 -28471 7689.1 -36160 -36160 4.5359 -5.9769 -0.16424 2.8421e+05 2024-05-18 15:43:50,260 INFO [main.py:798]
{rank 0/64} MD step = 149900 step time: 00:00:00.351624 Performance: 34.146 ns/day 0.703 hours/ns 1.976 steps/s 2024-05-18 15:44:00,519 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 149900 29980 70.204 -28466 7694.5 -36161 -36161 4.5359 -5.9826 -0.16401 2.8437e+05 2024-05-18 15:44:35,297 INFO [main.py:798]
{rank 0/64} MD step = 150000 step time: 00:00:00.335800 Performance: 34.149 ns/day 0.703 hours/ns 1.976 steps/s 2024-05-18 15:44:42,032 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 150000 30000 71.185 -28396 7802 -36198 -36198 4.5387 -5.9898 -0.16252 2.8457e+05 2024-05-18 15:45:16,508 INFO [main.py:798]
{rank 0/64} MD step = 150100 step time: 00:00:00.349731 Performance: 34.153 ns/day 0.703 hours/ns 1.976 steps/s 2024-05-18 15:45:22,648 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 150100 30020 70.444 -28375 7720.7 -36096 -36096 4.5406 -5.9959 -0.16176 2.8473e+05 2024-05-18 15:45:57,283 INFO [main.py:798]
{rank 0/64} MD step = 150200 step time: 00:00:00.350960 Performance: 34.157 ns/day 0.703 hours/ns 1.977 steps/s 2024-05-18 15:46:02,808 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 150200 30040 68.441 -28649 7501.2 -36150 -36150 4.5424 -6.0018 -0.16018 2.8491e+05 2024-05-18 15:46:38,269 INFO [main.py:798]
{rank 0/64} MD step = 150300 step time: 00:00:00.351878 Performance: 34.162 ns/day 0.703 hours/ns 1.977 steps/s 2024-05-18 15:46:42,345 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 150300 30060 69.503 -28367 7617.6 -35985 -35985 4.545 -6.0063 -0.15978 2.8516e+05 2024-05-18 15:47:17,775 INFO [main.py:798]
{rank 0/64} MD step = 150400 step time: 00:00:00.341640 Performance: 34.167 ns/day 0.702 hours/ns 1.977 steps/s 2024-05-18 15:47:23,756 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 150400 30080 70.13 -28603 7686.3 -36289 -36289 4.5476 -6.0101 -0.16026 2.8529e+05 2024-05-18 15:47:58,768 INFO [main.py:798]
{rank 0/64} MD step = 150500 step time: 00:00:00.353271 Performance: 34.171 ns/day 0.702 hours/ns 1.977 steps/s 2024-05-18 15:48:06,096 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 150500 30100 71.081 -28416 7790.6 -36207 -36207 4.5514 -6.0144 -0.15979 2.8548e+05 2024-05-18 15:48:40,803 INFO [main.py:798]
{rank 0/64} MD step = 150600 step time: 00:00:00.341910 Performance: 34.175 ns/day 0.702 hours/ns 1.978 steps/s 2024-05-18 15:48:47,452 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 150600 30120 69.988 -28510 7670.8 -36181 -36181 4.5536 -6.0203 -0.16066 2.857e+05 2024-05-18 15:49:21,998 INFO [main.py:798]
{rank 0/64} MD step = 150700 step time: 00:00:00.328896 Performance: 34.179 ns/day 0.702 hours/ns 1.978 steps/s 2024-05-18 15:49:32,006 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 150700 30140 70.045 -28505 7677.1 -36182 -36182 4.555 -6.0255 -0.16051 2.859e+05 2024-05-18 15:50:06,499 INFO [main.py:798]
{rank 0/64} MD step = 150800 step time: 00:00:00.349731 Performance: 34.182 ns/day 0.702 hours/ns 1.978 steps/s 2024-05-18 15:50:12,715 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 150800 30160 70.355 -28288 7711 -35998 -35998 4.5576 -6.0299 -0.15942 2.8611e+05 2024-05-18 15:50:46,866 INFO [main.py:798]
{rank 0/64} MD step = 150900 step time: 00:00:00.351737 Performance: 34.186 ns/day 0.702 hours/ns 1.978 steps/s 2024-05-18 15:51:04,312 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 150900 30180 70.587 -28351 7736.4 -36088 -36088 4.562 -6.0346 -0.15987 2.8628e+05 2024-05-18 15:51:38,496 INFO [main.py:798]
{rank 0/64} MD step = 151000 step time: 00:00:00.349351 Performance: 34.186 ns/day 0.702 hours/ns 1.978 steps/s 2024-05-18 15:51:51,645 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 151000 30200 70.247 -28427 7699.2 -36126 -36126 4.5622 -6.0393 -0.15993 2.8651e+05 2024-05-18 15:52:26,368 INFO [main.py:798]
{rank 0/64} MD step = 151100 step time: 00:00:00.348515 Performance: 34.187 ns/day 0.702 hours/ns 1.978 steps/s 2024-05-18 15:52:31,948 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 151100 30220 70.589 -28477 7736.7 -36214 -36214 4.5631 -6.0451 -0.15837 2.8668e+05 2024-05-18 15:53:06,317 INFO [main.py:798]
{rank 0/64} MD step = 151200 step time: 00:00:00.333827 Performance: 34.192 ns/day 0.702 hours/ns 1.979 steps/s 2024-05-18 15:53:24,197 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 151200 30240 70.114 -28340 7684.6 -36024 -36024 4.5665 -6.0496 -0.15749 2.8692e+05 2024-05-18 15:54:00,100 INFO [main.py:798]
{rank 0/64} MD step = 151300 step time: 00:00:00.369377 Performance: 34.190 ns/day 0.702 hours/ns 1.979 steps/s 2024-05-18 15:54:05,539 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 151300 30260 70.302 -28416 7705.2 -36121 -36121 4.5689 -6.0544 -0.15742 2.8711e+05 2024-05-18 15:54:43,709 INFO [main.py:798]
{rank 0/64} MD step = 151400 step time: 00:00:00.370287 Performance: 34.193 ns/day 0.702 hours/ns 1.979 steps/s 2024-05-18 15:54:52,499 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 151400 30280 71.019 -28312 7783.7 -36096 -36096 4.5723 -6.0585 -0.1557 2.8729e+05 2024-05-18 15:55:27,193 INFO [main.py:798]
{rank 0/64} MD step = 151500 step time: 00:00:00.353727 Performance: 34.196 ns/day 0.702 hours/ns 1.979 steps/s 2024-05-18 15:55:32,951 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 151500 30300 69.283 -28388 7593.5 -35982 -35982 4.5744 -6.0647 -0.15456 2.875e+05 2024-05-18 15:56:07,835 INFO [main.py:798]
{rank 0/64} MD step = 151600 step time: 00:00:00.351172 Performance: 34.201 ns/day 0.702 hours/ns 1.979 steps/s 2024-05-18 15:56:14,609 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 151600 30320 69.645 -28418 7633.2 -36051 -36051 4.5783 -6.0677 -0.15469 2.8771e+05 2024-05-18 15:56:49,602 INFO [main.py:798]
{rank 0/64} MD step = 151700 step time: 00:00:00.356834 Performance: 34.205 ns/day 0.702 hours/ns 1.979 steps/s 2024-05-18 15:56:56,498 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 151700 30340 69.559 -28491 7623.7 -36114 -36114 4.5822 -6.0719 -0.15405 2.8792e+05 2024-05-18 15:57:31,176 INFO [main.py:798]
{rank 0/64} MD step = 151800 step time: 00:00:00.349920 Performance: 34.209 ns/day 0.702 hours/ns 1.980 steps/s 2024-05-18 15:57:36,702 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 151800 30360 69.546 -28474 7622.3 -36097 -36097 4.5834 -6.077 -0.15224 2.8811e+05 2024-05-18 15:58:11,030 INFO [main.py:798]
{rank 0/64} MD step = 151900 step time: 00:00:00.352758 Performance: 34.213 ns/day 0.701 hours/ns 1.980 steps/s 2024-05-18 15:58:17,239 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 151900 30380 69.933 -28414 7664.7 -36078 -36078 4.5859 -6.0822 -0.15127 2.883e+05 2024-05-18 15:58:50,910 INFO [main.py:798]
{rank 0/64} MD step = 152000 step time: 00:00:00.346592 Performance: 34.218 ns/day 0.701 hours/ns 1.980 steps/s 2024-05-18 15:59:02,840 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 152000 30400 68.87 -28514 7548.3 -36062 -36062 4.5888 -6.0873 -0.15062 2.8852e+05 2024-05-18 15:59:37,541 INFO [main.py:798]
{rank 0/64} MD step = 152100 step time: 00:00:00.350392 Performance: 34.220 ns/day 0.701 hours/ns 1.980 steps/s 2024-05-18 15:59:46,233 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 152100 30420 68.212 -28576 7476.1 -36052 -36052 4.5921 -6.0934 -0.15201 2.8872e+05 2024-05-18 16:00:18,931 INFO [main.py:798]
{rank 0/64} MD step = 152200 step time: 00:00:00.362301 Performance: 34.224 ns/day 0.701 hours/ns 1.981 steps/s 2024-05-18 16:00:29,515 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 152200 30440 69.89 -28476 7660 -36136 -36136 4.596 -6.0965 -0.15315 2.8888e+05 2024-05-18 16:01:03,379 INFO [main.py:798]
{rank 0/64} MD step = 152300 step time: 00:00:00.339086 Performance: 34.227 ns/day 0.701 hours/ns 1.981 steps/s 2024-05-18 16:01:09,446 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 152300 30460 70.417 -28285 7717.8 -36003 -36003 4.5989 -6.101 -0.15278 2.891e+05 2024-05-18 16:01:44,145 INFO [main.py:798]
{rank 0/64} MD step = 152400 step time: 00:00:00.354139 Performance: 34.231 ns/day 0.701 hours/ns 1.981 steps/s 2024-05-18 16:01:49,443 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 152400 30480 70.429 -28346 7719.1 -36065 -36065 4.6016 -6.1054 -0.15117 2.893e+05 2024-05-18 16:02:24,097 INFO [main.py:798]
{rank 0/64} MD step = 152500 step time: 00:00:00.335552 Performance: 34.236 ns/day 0.701 hours/ns 1.981 steps/s 2024-05-18 16:02:30,453 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 152500 30500 70.559 -28419 7733.3 -36152 -36152 4.6031 -6.1106 -0.1494 2.8949e+05 2024-05-18 16:03:04,970 INFO [main.py:798]
{rank 0/64} MD step = 152600 step time: 00:00:00.352816 Performance: 34.240 ns/day 0.701 hours/ns 1.981 steps/s 2024-05-18 16:03:12,571 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 152600 30520 70.717 -28347 7750.6 -36098 -36098 4.606 -6.1147 -0.14837 2.897e+05 2024-05-18 16:03:46,665 INFO [main.py:798]
{rank 0/64} MD step = 152700 step time: 00:00:00.346504 Performance: 34.244 ns/day 0.701 hours/ns 1.982 steps/s 2024-05-18 16:03:52,516 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 152700 30540 69.873 -28434 7658.1 -36092 -36092 4.6072 -6.1187 -0.14812 2.8988e+05 2024-05-18 16:04:27,196 INFO [main.py:798]
{rank 0/64} MD step = 152800 step time: 00:00:00.350687 Performance: 34.248 ns/day 0.701 hours/ns 1.982 steps/s 2024-05-18 16:04:43,318 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 152800 30560 70.258 -28326 7700.4 -36027 -36027 4.6096 -6.1228 -0.14767 2.9004e+05 2024-05-18 16:05:17,765 INFO [main.py:798]
{rank 0/64} MD step = 152900 step time: 00:00:00.362840 Performance: 34.248 ns/day 0.701 hours/ns 1.982 steps/s 2024-05-18 16:05:24,117 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 152900 30580 70.213 -28476 7695.5 -36171 -36171 4.6129 -6.1272 -0.14635 2.9021e+05 2024-05-18 16:05:58,557 INFO [main.py:798]
{rank 0/64} MD step = 153000 step time: 00:00:00.325748 Performance: 34.252 ns/day 0.701 hours/ns 1.982 steps/s 2024-05-18 16:06:06,718 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153000 30600 69.055 -28603 7568.6 -36171 -36171 4.6134 -6.1322 -0.14473 2.9043e+05 2024-05-18 16:06:41,023 INFO [main.py:798]
{rank 0/64} MD step = 153100 step time: 00:00:00.329893 Performance: 34.256 ns/day 0.701 hours/ns 1.982 steps/s 2024-05-18 16:06:49,416 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153100 30620 70.668 -28517 7745.2 -36262 -36262 4.6162 -6.1373 -0.14393 2.906e+05 2024-05-18 16:07:25,448 INFO [main.py:798]
{rank 0/64} MD step = 153200 step time: 00:00:00.343461 Performance: 34.259 ns/day 0.701 hours/ns 1.983 steps/s 2024-05-18 16:07:37,704 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153200 30640 70.3 -28483 7705 -36188 -36188 4.6194 -6.1413 -0.14523 2.9078e+05 2024-05-18 16:08:12,195 INFO [main.py:798]
{rank 0/64} MD step = 153300 step time: 00:00:00.348838 Performance: 34.260 ns/day 0.701 hours/ns 1.983 steps/s 2024-05-18 16:08:23,140 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153300 30660 70.894 -28489 7770 -36259 -36259 4.6215 -6.1449 -0.14436 2.9095e+05 2024-05-18 16:08:57,643 INFO [main.py:798]
{rank 0/64} MD step = 153400 step time: 00:00:00.349954 Performance: 34.263 ns/day 0.700 hours/ns 1.983 steps/s 2024-05-18 16:09:07,477 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153400 30680 70.18 -28597 7691.8 -36289 -36289 4.624 -6.1499 -0.14401 2.9112e+05 2024-05-18 16:09:42,982 INFO [main.py:798]
{rank 0/64} MD step = 153500 step time: 00:00:00.353359 Performance: 34.265 ns/day 0.700 hours/ns 1.983 steps/s 2024-05-18 16:09:53,506 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153500 30700 69.74 -28575 7643.6 -36219 -36219 4.6276 -6.1558 -0.14349 2.913e+05 2024-05-18 16:10:27,996 INFO [main.py:798]
{rank 0/64} MD step = 153600 step time: 00:00:00.353702 Performance: 34.267 ns/day 0.700 hours/ns 1.983 steps/s 2024-05-18 16:10:38,314 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153600 30720 68.897 -28774 7551.2 -36325 -36325 4.6283 -6.1616 -0.14203 2.9148e+05 2024-05-18 16:11:13,033 INFO [main.py:798]
{rank 0/64} MD step = 153700 step time: 00:00:00.354000 Performance: 34.270 ns/day 0.700 hours/ns 1.983 steps/s 2024-05-18 16:11:21,970 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153700 30740 69.748 -28391 7644.4 -36035 -36035 4.6315 -6.1675 -0.14276 2.9169e+05 2024-05-18 16:11:56,525 INFO [main.py:798]
{rank 0/64} MD step = 153800 step time: 00:00:00.349811 Performance: 34.273 ns/day 0.700 hours/ns 1.983 steps/s 2024-05-18 16:12:04,337 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153800 30760 70.336 -28577 7708.9 -36286 -36286 4.6351 -6.1729 -0.14188 2.9185e+05 2024-05-18 16:12:39,209 INFO [main.py:798]
{rank 0/64} MD step = 153900 step time: 00:00:00.353656 Performance: 34.276 ns/day 0.700 hours/ns 1.984 steps/s 2024-05-18 16:12:46,866 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153900 30780 70.417 -28452 7717.7 -36169 -36169 4.6359 -6.1778 -0.14157 2.9207e+05 2024-05-18 16:13:21,196 INFO [main.py:798]
{rank 0/64} MD step = 154000 step time: 00:00:00.348992 Performance: 34.280 ns/day 0.700 hours/ns 1.984 steps/s 2024-05-18 16:13:30,354 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 154000 30800 70.326 -28499 7707.8 -36207 -36207 4.6392 -6.1827 -0.14052 2.9226e+05 2024-05-18 16:14:05,577 INFO [main.py:798]
{rank 0/64} MD step = 154100 step time: 00:00:00.358593 Performance: 34.282 ns/day 0.700 hours/ns 1.984 steps/s 2024-05-18 16:14:16,406 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 154100 30820 70.787 -28303 7758.3 -36061 -36061 4.6411 -6.188 -0.13732 2.9247e+05 2024-05-18 16:14:51,288 INFO [main.py:798]
{rank 0/64} MD step = 154200 step time: 00:00:00.352603 Performance: 34.285 ns/day 0.700 hours/ns 1.984 steps/s 2024-05-18 16:14:58,676 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 154200 30840 69.159 -28506 7579.9 -36086 -36086 4.644 -6.1944 -0.13744 2.9267e+05 2024-05-18 16:15:32,052 INFO [main.py:798]
{rank 0/64} MD step = 154300 step time: 00:00:00.352367 Performance: 34.289 ns/day 0.700 hours/ns 1.984 steps/s 2024-05-18 16:15:38,698 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 154300 30860 69.472 -28599 7614.3 -36214 -36214 4.6446 -6.1987 -0.13751 2.9281e+05 2024-05-18 16:16:13,453 INFO [main.py:798]
{rank 0/64} MD step = 154400 step time: 00:00:00.350653 Performance: 34.293 ns/day 0.700 hours/ns 1.985 steps/s 2024-05-18 16:16:20,840 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 154400 30880 68.415 -28729 7498.3 -36228 -36228 4.6458 -6.2035 -0.13812 2.9303e+05 2024-05-18 16:16:55,485 INFO [main.py:798]
{rank 0/64} MD step = 154500 step time: 00:00:00.352577 Performance: 34.296 ns/day 0.700 hours/ns 1.985 steps/s 2024-05-18 16:17:02,404 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 154500 30900 69.889 -28397 7659.9 -36057 -36057 4.6483 -6.2069 -0.13671 2.9324e+05 2024-05-18 16:17:37,512 INFO [main.py:798]
{rank 0/64} MD step = 154600 step time: 00:00:00.346230 Performance: 34.300 ns/day 0.700 hours/ns 1.985 steps/s 2024-05-18 16:17:43,388 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 154600 30920 69.732 -28617 7642.7 -36259 -36259 4.6515 -6.2104 -0.13805 2.9337e+05 2024-05-18 16:18:17,843 INFO [main.py:798]
{rank 0/64} MD step = 154700 step time: 00:00:00.357987 Performance: 34.305 ns/day 0.700 hours/ns 1.985 steps/s 2024-05-18 16:18:27,907 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 154700 30940 70.179 -28443 7691.7 -36135 -36135 4.6553 -6.2143 -0.13766 2.9359e+05 2024-05-18 16:19:01,803 INFO [main.py:798]
{rank 0/64} MD step = 154800 step time: 00:00:00.353084 Performance: 34.307 ns/day 0.700 hours/ns 1.985 steps/s 2024-05-18 16:19:07,784 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 154800 30960 70.627 -28328 7740.8 -36069 -36069 4.6577 -6.2177 -0.13717 2.9379e+05 2024-05-18 16:19:42,568 INFO [main.py:798]
{rank 0/64} MD step = 154900 step time: 00:00:00.355726 Performance: 34.312 ns/day 0.699 hours/ns 1.986 steps/s 2024-05-18 16:19:57,188 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 154900 30980 70.351 -28476 7710.5 -36186 -36186 4.6585 -6.2209 -0.13801 2.9394e+05 2024-05-18 16:20:32,319 INFO [main.py:798]
{rank 0/64} MD step = 155000 step time: 00:00:00.371584 Performance: 34.312 ns/day 0.699 hours/ns 1.986 steps/s 2024-05-18 16:20:38,310 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 155000 31000 70.198 -28560 7693.8 -36254 -36254 4.6605 -6.2258 -0.13774 2.9413e+05 2024-05-18 16:21:12,616 INFO [main.py:798]
{rank 0/64} MD step = 155100 step time: 00:00:00.342046 Performance: 34.316 ns/day 0.699 hours/ns 1.986 steps/s 2024-05-18 16:21:17,265 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 155100 31020 70.535 -28539 7730.7 -36270 -36270 4.6622 -6.231 -0.13765 2.9429e+05 2024-05-18 16:21:55,829 INFO [main.py:798]
{rank 0/64} MD step = 155200 step time: 00:00:00.356115 Performance: 34.319 ns/day 0.699 hours/ns 1.986 steps/s 2024-05-18 16:22:01,749 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 155200 31040 69.764 -28533 7646.2 -36179 -36179 4.6622 -6.2358 -0.13704 2.945e+05 2024-05-18 16:22:36,601 INFO [main.py:798]
{rank 0/64} MD step = 155300 step time: 00:00:00.349513 Performance: 34.324 ns/day 0.699 hours/ns 1.986 steps/s 2024-05-18 16:22:43,887 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 155300 31060 70.06 -28469 7678.6 -36147 -36147 4.6631 -6.2396 -0.13624 2.9465e+05 2024-05-18 16:23:17,614 INFO [main.py:798]
{rank 0/64} MD step = 155400 step time: 00:00:00.337179 Performance: 34.328 ns/day 0.699 hours/ns 1.987 steps/s 2024-05-18 16:23:26,245 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 155400 31080 70.006 -28506 7672.8 -36179 -36179 4.666 -6.2444 -0.137 2.9485e+05 2024-05-18 16:24:00,430 INFO [main.py:798]
{rank 0/64} MD step = 155500 step time: 00:00:00.342524 Performance: 34.331 ns/day 0.699 hours/ns 1.987 steps/s 2024-05-18 16:24:06,078 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 155500 31100 70.191 -28385 7693 -36078 -36078 4.6683 -6.2484 -0.1365 2.9506e+05 2024-05-18 16:24:40,467 INFO [main.py:798]
{rank 0/64} MD step = 155600 step time: 00:00:00.333460 Performance: 34.335 ns/day 0.699 hours/ns 1.987 steps/s 2024-05-18 16:24:47,199 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 155600 31120 69.261 -28486 7591.1 -36077 -36077 4.6693 -6.2496 -0.13559 2.9525e+05 2024-05-18 16:25:21,861 INFO [main.py:798]
{rank 0/64} MD step = 155700 step time: 00:00:00.353089 Performance: 34.339 ns/day 0.699 hours/ns 1.987 steps/s 2024-05-18 16:25:31,560 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 155700 31140 69.77 -28551 7646.8 -36198 -36198 4.6715 -6.2547 -0.13406 2.9545e+05 2024-05-18 16:26:06,111 INFO [main.py:798]
{rank 0/64} MD step = 155800 step time: 00:00:00.342083 Performance: 34.342 ns/day 0.699 hours/ns 1.987 steps/s 2024-05-18 16:26:13,439 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 155800 31160 69.099 -28427 7573.3 -36000 -36000 4.6726 -6.2584 -0.13325 2.9567e+05 2024-05-18 16:26:48,361 INFO [main.py:798]
{rank 0/64} MD step = 155900 step time: 00:00:00.327623 Performance: 34.346 ns/day 0.699 hours/ns 1.988 steps/s 2024-05-18 16:26:55,041 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 155900 31180 70.436 -28525 7719.9 -36245 -36245 4.6746 -6.2623 -0.12985 2.9583e+05 2024-05-18 16:27:29,306 INFO [main.py:798]
{rank 0/64} MD step = 156000 step time: 00:00:00.327652 Performance: 34.350 ns/day 0.699 hours/ns 1.988 steps/s 2024-05-18 16:27:36,304 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 156000 31200 70.75 -28266 7754.3 -36020 -36020 4.6747 -6.2679 -0.13025 2.9604e+05 2024-05-18 16:28:10,703 INFO [main.py:798]
{rank 0/64} MD step = 156100 step time: 00:00:00.326178 Performance: 34.354 ns/day 0.699 hours/ns 1.988 steps/s 2024-05-18 16:28:17,824 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 156100 31220 70.486 -28390 7725.3 -36115 -36115 4.6768 -6.2726 -0.12993 2.9624e+05 2024-05-18 16:28:54,219 INFO [main.py:798]
{rank 0/64} MD step = 156200 step time: 00:00:00.358973 Performance: 34.357 ns/day 0.699 hours/ns 1.988 steps/s 2024-05-18 16:28:58,384 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 156200 31240 69.947 -28408 7666.3 -36074 -36074 4.6789 -6.2768 -0.12985 2.9642e+05 2024-05-18 16:29:34,343 INFO [main.py:798]
{rank 0/64} MD step = 156300 step time: 00:00:00.327427 Performance: 34.361 ns/day 0.698 hours/ns 1.988 steps/s 2024-05-18 16:29:41,467 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 156300 31260 69.785 -28454 7648.5 -36102 -36102 4.6813 -6.2797 -0.1285 2.9661e+05 2024-05-18 16:30:15,523 INFO [main.py:798]
{rank 0/64} MD step = 156400 step time: 00:00:00.342251 Performance: 34.365 ns/day 0.698 hours/ns 1.989 steps/s 2024-05-18 16:30:21,843 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 156400 31280 69.188 -28633 7583.1 -36216 -36216 4.684 -6.284 -0.12869 2.9675e+05 2024-05-18 16:30:56,428 INFO [main.py:798]
{rank 0/64} MD step = 156500 step time: 00:00:00.353097 Performance: 34.369 ns/day 0.698 hours/ns 1.989 steps/s 2024-05-18 16:31:01,786 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 156500 31300 70.047 -28583 7677.2 -36260 -36260 4.6853 -6.2884 -0.1274 2.9694e+05 2024-05-18 16:31:36,141 INFO [main.py:798]
{rank 0/64} MD step = 156600 step time: 00:00:00.346143 Performance: 34.374 ns/day 0.698 hours/ns 1.989 steps/s 2024-05-18 16:31:42,347 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 156600 31320 70.406 -28505 7716.5 -36222 -36222 4.6862 -6.2928 -0.12781 2.9713e+05 2024-05-18 16:32:18,324 INFO [main.py:798]
{rank 0/64} MD step = 156700 step time: 00:00:00.345238 Performance: 34.377 ns/day 0.698 hours/ns 1.989 steps/s 2024-05-18 16:32:29,197 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 156700 31340 71.545 -28322 7841.4 -36163 -36163 4.6893 -6.2973 -0.12435 2.9729e+05 2024-05-18 16:33:03,426 INFO [main.py:798]
{rank 0/64} MD step = 156800 step time: 00:00:00.353171 Performance: 34.379 ns/day 0.698 hours/ns 1.990 steps/s 2024-05-18 16:33:14,714 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 156800 31360 69.962 -28538 7667.9 -36206 -36206 4.691 -6.3018 -0.12248 2.9748e+05 2024-05-18 16:33:48,479 INFO [main.py:798]
{rank 0/64} MD step = 156900 step time: 00:00:00.328651 Performance: 34.382 ns/day 0.698 hours/ns 1.990 steps/s 2024-05-18 16:33:56,095 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 156900 31380 69.993 -28257 7671.3 -35929 -35929 4.6925 -6.3047 -0.12224 2.977e+05 2024-05-18 16:34:30,561 INFO [main.py:798]
{rank 0/64} MD step = 157000 step time: 00:00:00.331578 Performance: 34.385 ns/day 0.698 hours/ns 1.990 steps/s 2024-05-18 16:34:38,461 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157000 31400 69.862 -28501 7657 -36158 -36158 4.6958 -6.3089 -0.11951 2.9782e+05 2024-05-18 16:35:13,244 INFO [main.py:798]
{rank 0/64} MD step = 157100 step time: 00:00:00.328963 Performance: 34.389 ns/day 0.698 hours/ns 1.990 steps/s 2024-05-18 16:35:27,119 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157100 31420 70.412 -28510 7717.2 -36228 -36228 4.6975 -6.3149 -0.1193 2.9801e+05 2024-05-18 16:36:01,905 INFO [main.py:798]
{rank 0/64} MD step = 157200 step time: 00:00:00.330698 Performance: 34.389 ns/day 0.698 hours/ns 1.990 steps/s 2024-05-18 16:36:07,721 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157200 31440 69.849 -28456 7655.5 -36112 -36112 4.7003 -6.321 -0.11984 2.9824e+05 2024-05-18 16:36:43,196 INFO [main.py:798]
{rank 0/64} MD step = 157300 step time: 00:00:00.329725 Performance: 34.393 ns/day 0.698 hours/ns 1.990 steps/s 2024-05-18 16:36:54,429 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157300 31460 70.258 -28444 7700.3 -36144 -36144 4.7032 -6.3261 -0.12024 2.984e+05 2024-05-18 16:37:29,155 INFO [main.py:798]
{rank 0/64} MD step = 157400 step time: 00:00:00.331970 Performance: 34.395 ns/day 0.698 hours/ns 1.990 steps/s 2024-05-18 16:37:35,379 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157400 31480 69.046 -28616 7567.5 -36183 -36183 4.705 -6.3294 -0.12184 2.9859e+05 2024-05-18 16:38:11,007 INFO [main.py:798]
{rank 0/64} MD step = 157500 step time: 00:00:00.358048 Performance: 34.399 ns/day 0.698 hours/ns 1.991 steps/s 2024-05-18 16:38:14,906 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157500 31500 69.428 -28484 7609.4 -36094 -36094 4.7084 -6.3322 -0.12016 2.9877e+05 2024-05-18 16:38:50,559 INFO [main.py:798]
{rank 0/64} MD step = 157600 step time: 00:00:00.329980 Performance: 34.403 ns/day 0.698 hours/ns 1.991 steps/s 2024-05-18 16:38:57,269 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157600 31520 69.568 -28474 7624.7 -36099 -36099 4.7115 -6.3363 -0.11905 2.9892e+05 2024-05-18 16:39:31,823 INFO [main.py:798]
{rank 0/64} MD step = 157700 step time: 00:00:00.328345 Performance: 34.407 ns/day 0.698 hours/ns 1.991 steps/s 2024-05-18 16:39:37,977 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157700 31540 71.092 -28161 7791.8 -35953 -35953 4.7134 -6.3392 -0.11907 2.9914e+05 2024-05-18 16:40:12,981 INFO [main.py:798]
{rank 0/64} MD step = 157800 step time: 00:00:00.340879 Performance: 34.411 ns/day 0.697 hours/ns 1.991 steps/s 2024-05-18 16:40:18,550 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157800 31560 71.005 -28337 7782.3 -36119 -36119 4.716 -6.3422 -0.11987 2.9928e+05 2024-05-18 16:40:52,935 INFO [main.py:798]
{rank 0/64} MD step = 157900 step time: 00:00:00.338490 Performance: 34.416 ns/day 0.697 hours/ns 1.992 steps/s 2024-05-18 16:40:58,351 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157900 31580 70.299 -28492 7704.9 -36197 -36197 4.7183 -6.3452 -0.12138 2.9947e+05 2024-05-18 16:41:33,258 INFO [main.py:798]
{rank 0/64} MD step = 158000 step time: 00:00:00.373156 Performance: 34.420 ns/day 0.697 hours/ns 1.992 steps/s 2024-05-18 16:41:38,718 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 158000 31600 69.658 -28341 7634.6 -35976 -35976 4.7212 -6.3476 -0.12064 2.9973e+05 2024-05-18 16:42:15,198 INFO [main.py:798]
{rank 0/64} MD step = 158100 step time: 00:00:00.369408 Performance: 34.424 ns/day 0.697 hours/ns 1.992 steps/s 2024-05-18 16:42:34,672 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 158100 31620 70.403 -28402 7716.2 -36118 -36118 4.7226 -6.3501 -0.11949 2.9987e+05 2024-05-18 16:43:11,453 INFO [main.py:798]
{rank 0/64} MD step = 158200 step time: 00:00:00.340902 Performance: 34.421 ns/day 0.697 hours/ns 1.992 steps/s 2024-05-18 16:43:19,392 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 158200 31640 70.034 -28415 7675.9 -36091 -36091 4.726 -6.3516 -0.12124 3.0006e+05 2024-05-18 16:43:53,267 INFO [main.py:798]
{rank 0/64} MD step = 158300 step time: 00:00:00.325281 Performance: 34.425 ns/day 0.697 hours/ns 1.992 steps/s 2024-05-18 16:44:01,656 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 158300 31660 70.39 -28305 7714.8 -36020 -36020 4.7286 -6.3574 -0.12086 3.0025e+05 2024-05-18 16:44:37,642 INFO [main.py:798]
{rank 0/64} MD step = 158400 step time: 00:00:00.342905 Performance: 34.427 ns/day 0.697 hours/ns 1.992 steps/s 2024-05-18 16:44:51,784 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 158400 31680 69.575 -28351 7625.5 -35976 -35976 4.731 -6.361 -0.12027 3.0045e+05 2024-05-18 16:45:26,262 INFO [main.py:798]
{rank 0/64} MD step = 158500 step time: 00:00:00.358581 Performance: 34.428 ns/day 0.697 hours/ns 1.992 steps/s 2024-05-18 16:45:34,055 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 158500 31700 69.514 -28648 7618.8 -36266 -36266 4.733 -6.364 -0.11873 3.0061e+05 2024-05-18 16:46:08,430 INFO [main.py:798]
{rank 0/64} MD step = 158600 step time: 00:00:00.339820 Performance: 34.431 ns/day 0.697 hours/ns 1.993 steps/s 2024-05-18 16:46:16,060 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 158600 31720 70.434 -28470 7719.7 -36189 -36189 4.7347 -6.367 -0.11762 3.0084e+05 2024-05-18 16:46:50,104 INFO [main.py:798]
{rank 0/64} MD step = 158700 step time: 00:00:00.352892 Performance: 34.435 ns/day 0.697 hours/ns 1.993 steps/s 2024-05-18 16:46:57,379 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 158700 31740 69.891 -28624 7660.1 -36284 -36284 4.737 -6.3726 -0.11941 3.0098e+05 2024-05-18 16:47:31,656 INFO [main.py:798]
{rank 0/64} MD step = 158800 step time: 00:00:00.357073 Performance: 34.439 ns/day 0.697 hours/ns 1.993 steps/s 2024-05-18 16:47:40,177 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 158800 31760 69.394 -28650 7605.7 -36256 -36256 4.7364 -6.3784 -0.11965 3.0114e+05 2024-05-18 16:48:13,911 INFO [main.py:798]
{rank 0/64} MD step = 158900 step time: 00:00:00.331607 Performance: 34.442 ns/day 0.697 hours/ns 1.993 steps/s 2024-05-18 16:49:00,486 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 158900 31780 69.933 -28573 7664.8 -36237 -36237 4.7399 -6.3836 -0.11984 3.0133e+05 2024-05-18 16:49:34,874 INFO [main.py:798]
{rank 0/64} MD step = 159000 step time: 00:00:00.355321 Performance: 34.429 ns/day 0.697 hours/ns 1.992 steps/s 2024-05-18 16:49:47,295 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159000 31800 69.739 -28488 7643.5 -36132 -36132 4.7419 -6.3888 -0.12071 3.0153e+05 2024-05-18 16:50:22,136 INFO [main.py:798]
{rank 0/64} MD step = 159100 step time: 00:00:00.335616 Performance: 34.430 ns/day 0.697 hours/ns 1.992 steps/s 2024-05-18 16:50:42,504 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159100 31820 68.287 -28701 7484.3 -36185 -36185 4.7449 -6.393 -0.11864 3.0169e+05 2024-05-18 16:51:17,315 INFO [main.py:798]
{rank 0/64} MD step = 159200 step time: 00:00:00.348619 Performance: 34.428 ns/day 0.697 hours/ns 1.992 steps/s 2024-05-18 16:51:29,260 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159200 31840 70.165 -28530 7690.1 -36220 -36220 4.7486 -6.3966 -0.11694 3.0192e+05 2024-05-18 16:52:04,325 INFO [main.py:798]
{rank 0/64} MD step = 159300 step time: 00:00:00.349496 Performance: 34.429 ns/day 0.697 hours/ns 1.992 steps/s 2024-05-18 16:52:39,712 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159300 31860 68.854 -28810 7546.5 -36357 -36357 4.751 -6.4027 -0.11759 3.0208e+05 2024-05-18 16:53:14,166 INFO [main.py:798]
{rank 0/64} MD step = 159400 step time: 00:00:00.348510 Performance: 34.421 ns/day 0.697 hours/ns 1.992 steps/s 2024-05-18 16:53:26,347 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159400 31880 71.073 -28558 7789.7 -36347 -36347 4.7533 -6.4063 -0.11835 3.0229e+05 2024-05-18 16:54:00,846 INFO [main.py:798]
{rank 0/64} MD step = 159500 step time: 00:00:00.351736 Performance: 34.422 ns/day 0.697 hours/ns 1.992 steps/s 2024-05-18 16:54:14,461 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159500 31900 69.723 -28793 7641.8 -36435 -36435 4.7565 -6.4109 -0.11713 3.0244e+05 2024-05-18 16:54:48,871 INFO [main.py:798]
{rank 0/64} MD step = 159600 step time: 00:00:00.350445 Performance: 34.423 ns/day 0.697 hours/ns 1.992 steps/s 2024-05-18 16:55:17,408 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159600 31920 70.289 -28615 7703.8 -36319 -36319 4.7591 -6.4144 -0.11603 3.0266e+05 2024-05-18 16:55:52,227 INFO [main.py:798]
{rank 0/64} MD step = 159700 step time: 00:00:00.327944 Performance: 34.418 ns/day 0.697 hours/ns 1.992 steps/s 2024-05-18 16:56:02,903 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159700 31940 69.478 -28522 7614.9 -36137 -36137 4.7626 -6.4199 -0.11553 3.0288e+05 2024-05-18 16:56:37,052 INFO [main.py:798]
{rank 0/64} MD step = 159800 step time: 00:00:00.337625 Performance: 34.420 ns/day 0.697 hours/ns 1.992 steps/s 2024-05-18 16:56:48,525 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159800 31960 70.522 -28301 7729.3 -36030 -36030 4.7639 -6.4237 -0.11412 3.0309e+05 2024-05-18 16:57:22,990 INFO [main.py:798]
{rank 0/64} MD step = 159900 step time: 00:00:00.344343 Performance: 34.422 ns/day 0.697 hours/ns 1.992 steps/s 2024-05-18 16:57:33,391 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159900 31980 69.3 -28634 7595.4 -36229 -36229 4.7661 -6.4281 -0.11219 3.0328e+05 2024-05-18 16:58:07,707 INFO [main.py:798]
{rank 0/64} MD step = 160000 step time: 00:00:00.353678 Performance: 34.424 ns/day 0.697 hours/ns 1.992 steps/s 2024-05-18 16:58:17,187 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160000 32000 69.38 -28550 7604.1 -36154 -36154 4.7696 -6.4298 -0.1114 3.0346e+05 2024-05-18 16:58:51,713 INFO [main.py:798]
{rank 0/64} MD step = 160100 step time: 00:00:00.346188 Performance: 34.427 ns/day 0.697 hours/ns 1.992 steps/s 2024-05-18 16:59:00,421 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160100 32020 69.928 -28548 7664.2 -36212 -36212 4.7717 -6.4336 -0.11258 3.0362e+05 2024-05-18 16:59:35,774 INFO [main.py:798]
{rank 0/64} MD step = 160200 step time: 00:00:00.351008 Performance: 34.429 ns/day 0.697 hours/ns 1.992 steps/s 2024-05-18 16:59:42,889 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160200 32040 70.016 -28496 7673.9 -36170 -36170 4.7749 -6.4383 -0.11223 3.0379e+05 2024-05-18 17:00:17,774 INFO [main.py:798]
{rank 0/64} MD step = 160300 step time: 00:00:00.362629 Performance: 34.433 ns/day 0.697 hours/ns 1.993 steps/s 2024-05-18 17:00:25,570 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160300 32060 69.545 -28470 7622.2 -36092 -36092 4.7787 -6.4434 -0.11255 3.0398e+05 2024-05-18 17:01:00,503 INFO [main.py:798]
{rank 0/64} MD step = 160400 step time: 00:00:00.354461 Performance: 34.436 ns/day 0.697 hours/ns 1.993 steps/s 2024-05-18 17:01:08,678 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160400 32080 69.582 -28546 7626.2 -36173 -36173 4.7816 -6.4473 -0.1106 3.0414e+05 2024-05-18 17:01:42,943 INFO [main.py:798]
{rank 0/64} MD step = 160500 step time: 00:00:00.349115 Performance: 34.439 ns/day 0.697 hours/ns 1.993 steps/s 2024-05-18 17:01:50,888 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160500 32100 70.05 -28434 7677.5 -36111 -36111 4.7842 -6.4513 -0.11173 3.0435e+05 2024-05-18 17:02:26,072 INFO [main.py:798]
{rank 0/64} MD step = 160600 step time: 00:00:00.352404 Performance: 34.442 ns/day 0.697 hours/ns 1.993 steps/s 2024-05-18 17:02:33,920 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160600 32120 70.177 -28332 7691.5 -36024 -36024 4.7861 -6.4554 -0.10952 3.0452e+05 2024-05-18 17:03:07,910 INFO [main.py:798]
{rank 0/64} MD step = 160700 step time: 00:00:00.349680 Performance: 34.446 ns/day 0.697 hours/ns 1.993 steps/s 2024-05-18 17:03:14,401 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160700 32140 70.048 -28467 7677.4 -36144 -36144 4.7887 -6.46 -0.10877 3.0471e+05 2024-05-18 17:03:49,769 INFO [main.py:798]
{rank 0/64} MD step = 160800 step time: 00:00:00.351842 Performance: 34.449 ns/day 0.697 hours/ns 1.994 steps/s 2024-05-18 17:03:57,107 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160800 32160 70.663 -28431 7744.8 -36176 -36176 4.792 -6.4647 -0.10766 3.0491e+05 2024-05-18 17:04:31,634 INFO [main.py:798]
{rank 0/64} MD step = 160900 step time: 00:00:00.358902 Performance: 34.453 ns/day 0.697 hours/ns 1.994 steps/s 2024-05-18 17:04:43,405 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160900 32180 69.513 -28658 7618.7 -36277 -36277 4.7939 -6.4681 -0.10755 3.0508e+05 2024-05-18 17:05:19,718 INFO [main.py:798]
{rank 0/64} MD step = 161000 step time: 00:00:00.329279 Performance: 34.454 ns/day 0.697 hours/ns 1.994 steps/s 2024-05-18 17:05:31,460 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161000 32200 71.214 -28580 7805.2 -36385 -36385 4.7971 -6.4719 -0.10715 3.0525e+05 2024-05-18 17:06:05,956 INFO [main.py:798]
{rank 0/64} MD step = 161100 step time: 00:00:00.357743 Performance: 34.456 ns/day 0.697 hours/ns 1.994 steps/s 2024-05-18 17:06:19,361 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161100 32220 69.643 -28583 7633 -36216 -36216 4.8001 -6.476 -0.1078 3.0547e+05 2024-05-18 17:06:53,116 INFO [main.py:798]
{rank 0/64} MD step = 161200 step time: 00:00:00.328033 Performance: 34.457 ns/day 0.697 hours/ns 1.994 steps/s 2024-05-18 17:07:11,384 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161200 32240 70.584 -28278 7736.1 -36014 -36014 4.8029 -6.4801 -0.10675 3.0567e+05 2024-05-18 17:07:45,413 INFO [main.py:798]
{rank 0/64} MD step = 161300 step time: 00:00:00.326730 Performance: 34.456 ns/day 0.697 hours/ns 1.994 steps/s 2024-05-18 17:07:55,655 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161300 32260 70.456 -28391 7722.1 -36113 -36113 4.8048 -6.4854 -0.10679 3.0583e+05 2024-05-18 17:08:32,160 INFO [main.py:798]
{rank 0/64} MD step = 161400 step time: 00:00:00.326983 Performance: 34.457 ns/day 0.697 hours/ns 1.994 steps/s 2024-05-18 17:08:40,956 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161400 32280 70.467 -28377 7723.3 -36100 -36100 4.8079 -6.4892 -0.10532 3.0603e+05 2024-05-18 17:09:15,453 INFO [main.py:798]
{rank 0/64} MD step = 161500 step time: 00:00:00.332286 Performance: 34.460 ns/day 0.696 hours/ns 1.994 steps/s 2024-05-18 17:09:22,651 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161500 32300 69.938 -28495 7665.3 -36160 -36160 4.811 -6.4911 -0.10486 3.0621e+05 2024-05-18 17:09:56,939 INFO [main.py:798]
{rank 0/64} MD step = 161600 step time: 00:00:00.337254 Performance: 34.464 ns/day 0.696 hours/ns 1.994 steps/s 2024-05-18 17:10:04,942 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161600 32320 69.451 -28506 7611.9 -36117 -36117 4.814 -6.4945 -0.10313 3.0641e+05 2024-05-18 17:10:39,713 INFO [main.py:798]
{rank 0/64} MD step = 161700 step time: 00:00:00.353787 Performance: 34.467 ns/day 0.696 hours/ns 1.995 steps/s 2024-05-18 17:10:46,297 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161700 32340 70.887 -28518 7769.4 -36287 -36287 4.8155 -6.4984 -0.10526 3.0655e+05 2024-05-18 17:11:23,249 INFO [main.py:798]
{rank 0/64} MD step = 161800 step time: 00:00:00.374174 Performance: 34.470 ns/day 0.696 hours/ns 1.995 steps/s 2024-05-18 17:11:30,831 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161800 32360 69.708 -28409 7640.1 -36049 -36049 4.817 -6.5009 -0.10473 3.0678e+05 2024-05-18 17:12:05,264 INFO [main.py:798]
{rank 0/64} MD step = 161900 step time: 00:00:00.339092 Performance: 34.473 ns/day 0.696 hours/ns 1.995 steps/s 2024-05-18 17:12:14,825 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161900 32380 70.837 -28218 7763.8 -35982 -35982 4.82 -6.5043 -0.10347 3.0698e+05 2024-05-18 17:12:48,575 INFO [main.py:798]
{rank 0/64} MD step = 162000 step time: 00:00:00.327017 Performance: 34.476 ns/day 0.696 hours/ns 1.995 steps/s 2024-05-18 17:12:55,557 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 162000 32400 71.642 -28127 7852.1 -35979 -35979 4.8239 -6.5072 -0.10309 3.0717e+05 2024-05-18 17:13:31,910 INFO [main.py:798]
{rank 0/64} MD step = 162100 step time: 00:00:00.351872 Performance: 34.479 ns/day 0.696 hours/ns 1.995 steps/s 2024-05-18 17:13:39,279 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 162100 32420 70.578 -28408 7735.5 -36144 -36144 4.8258 -6.51 -0.10214 3.0734e+05 2024-05-18 17:14:12,935 INFO [main.py:798]
{rank 0/64} MD step = 162200 step time: 00:00:00.352627 Performance: 34.483 ns/day 0.696 hours/ns 1.996 steps/s 2024-05-18 17:14:20,571 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 162200 32440 70.007 -28437 7672.9 -36109 -36109 4.8275 -6.5127 -0.10109 3.0754e+05 2024-05-18 17:14:54,752 INFO [main.py:798]
{rank 0/64} MD step = 162300 step time: 00:00:00.348917 Performance: 34.486 ns/day 0.696 hours/ns 1.996 steps/s 2024-05-18 17:15:10,886 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 162300 32460 69.595 -28556 7627.7 -36184 -36184 4.8304 -6.5142 -0.10174 3.0771e+05 2024-05-18 17:15:46,771 INFO [main.py:798]
{rank 0/64} MD step = 162400 step time: 00:00:00.353373 Performance: 34.486 ns/day 0.696 hours/ns 1.996 steps/s 2024-05-18 17:15:55,691 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 162400 32480 69.293 -28574 7594.6 -36169 -36169 4.8309 -6.5174 -0.10229 3.0789e+05 2024-05-18 17:16:30,030 INFO [main.py:798]
{rank 0/64} MD step = 162500 step time: 00:00:00.350818 Performance: 34.489 ns/day 0.696 hours/ns 1.996 steps/s 2024-05-18 17:16:38,985 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 162500 32500 70.37 -28431 7712.6 -36143 -36143 4.8329 -6.5217 -0.10041 3.081e+05 2024-05-18 17:17:13,387 INFO [main.py:798]
{rank 0/64} MD step = 162600 step time: 00:00:00.357273 Performance: 34.491 ns/day 0.696 hours/ns 1.996 steps/s 2024-05-18 17:17:22,198 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 162600 32520 71.538 -28279 7840.6 -36120 -36120 4.8363 -6.5228 -0.099825 3.0829e+05 2024-05-18 17:17:56,603 INFO [main.py:798]
{rank 0/64} MD step = 162700 step time: 00:00:00.348239 Performance: 34.494 ns/day 0.696 hours/ns 1.996 steps/s 2024-05-18 17:18:07,414 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 162700 32540 69.687 -28382 7637.8 -36020 -36020 4.8385 -6.527 -0.10004 3.0846e+05 2024-05-18 17:18:41,990 INFO [main.py:798]
{rank 0/64} MD step = 162800 step time: 00:00:00.345973 Performance: 34.496 ns/day 0.696 hours/ns 1.996 steps/s 2024-05-18 17:18:58,187 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 162800 32560 71.127 -28430 7795.6 -36226 -36226 4.8403 -6.5304 -0.098253 3.0866e+05 2024-05-18 17:19:32,167 INFO [main.py:798]
{rank 0/64} MD step = 162900 step time: 00:00:00.325375 Performance: 34.496 ns/day 0.696 hours/ns 1.996 steps/s 2024-05-18 17:19:42,286 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 162900 32580 71.019 -28372 7783.8 -36156 -36156 4.8413 -6.5334 -0.098196 3.0888e+05 2024-05-18 17:20:17,217 INFO [main.py:798]
{rank 0/64} MD step = 163000 step time: 00:00:00.326820 Performance: 34.498 ns/day 0.696 hours/ns 1.996 steps/s 2024-05-18 17:20:23,478 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163000 32600 70.546 -28395 7731.9 -36127 -36127 4.8427 -6.5375 -0.097301 3.0908e+05 2024-05-18 17:20:58,370 INFO [main.py:798]
{rank 0/64} MD step = 163100 step time: 00:00:00.331972 Performance: 34.502 ns/day 0.696 hours/ns 1.997 steps/s 2024-05-18 17:21:05,307 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163100 32620 69.16 -28490 7580 -36070 -36070 4.8432 -6.5404 -0.095282 3.0928e+05 2024-05-18 17:21:39,749 INFO [main.py:798]
{rank 0/64} MD step = 163200 step time: 00:00:00.353033 Performance: 34.506 ns/day 0.696 hours/ns 1.997 steps/s 2024-05-18 17:21:52,468 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163200 32640 70.048 -28264 7677.3 -35942 -35942 4.8461 -6.5444 -0.095072 3.0948e+05 2024-05-18 17:22:27,691 INFO [main.py:798]
{rank 0/64} MD step = 163300 step time: 00:00:00.371333 Performance: 34.507 ns/day 0.696 hours/ns 1.997 steps/s 2024-05-18 17:22:39,992 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163300 32660 70.687 -28444 7747.4 -36192 -36192 4.8481 -6.5485 -0.093462 3.0965e+05 2024-05-18 17:23:14,757 INFO [main.py:798]
{rank 0/64} MD step = 163400 step time: 00:00:00.368281 Performance: 34.508 ns/day 0.695 hours/ns 1.997 steps/s 2024-05-18 17:23:24,486 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163400 32680 69.214 -28657 7585.9 -36243 -36243 4.8478 -6.5518 -0.091281 3.0984e+05 2024-05-18 17:23:58,376 INFO [main.py:798]
{rank 0/64} MD step = 163500 step time: 00:00:00.333205 Performance: 34.511 ns/day 0.695 hours/ns 1.997 steps/s 2024-05-18 17:24:04,260 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163500 32700 69.958 -28416 7667.5 -36083 -36083 4.8502 -6.5555 -0.089948 3.1007e+05 2024-05-18 17:24:38,385 INFO [main.py:798]
{rank 0/64} MD step = 163600 step time: 00:00:00.352478 Performance: 34.515 ns/day 0.695 hours/ns 1.997 steps/s 2024-05-18 17:24:43,449 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163600 32720 69.566 -28330 7624.5 -35955 -35955 4.8523 -6.5578 -0.088214 3.1029e+05 2024-05-18 17:25:17,829 INFO [main.py:798]
{rank 0/64} MD step = 163700 step time: 00:00:00.356097 Performance: 34.519 ns/day 0.695 hours/ns 1.998 steps/s 2024-05-18 17:25:23,981 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163700 32740 69.958 -28606 7667.4 -36273 -36273 4.8557 -6.5603 -0.08791 3.1041e+05 2024-05-18 17:25:58,565 INFO [main.py:798]
{rank 0/64} MD step = 163800 step time: 00:00:00.330373 Performance: 34.523 ns/day 0.695 hours/ns 1.998 steps/s 2024-05-18 17:26:04,258 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163800 32760 69.012 -28541 7563.8 -36105 -36105 4.8579 -6.5624 -0.087462 3.1061e+05 2024-05-18 17:26:38,578 INFO [main.py:798]
{rank 0/64} MD step = 163900 step time: 00:00:00.330879 Performance: 34.528 ns/day 0.695 hours/ns 1.998 steps/s 2024-05-18 17:26:44,016 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163900 32780 70.354 -28278 7710.8 -35989 -35989 4.861 -6.5667 -0.089434 3.1082e+05 2024-05-18 17:27:18,265 INFO [main.py:798]
{rank 0/64} MD step = 164000 step time: 00:00:00.325283 Performance: 34.532 ns/day 0.695 hours/ns 1.998 steps/s 2024-05-18 17:27:30,538 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164000 32800 69.241 -28460 7588.9 -36049 -36049 4.8641 -6.5706 -0.088005 3.1098e+05 2024-05-18 17:28:04,964 INFO [main.py:798]
{rank 0/64} MD step = 164100 step time: 00:00:00.341988 Performance: 34.533 ns/day 0.695 hours/ns 1.998 steps/s 2024-05-18 17:28:10,349 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164100 32820 69.704 -28510 7639.7 -36149 -36149 4.8656 -6.5746 -0.087643 3.1115e+05 2024-05-18 17:28:46,258 INFO [main.py:798]
{rank 0/64} MD step = 164200 step time: 00:00:00.372039 Performance: 34.537 ns/day 0.695 hours/ns 1.999 steps/s 2024-05-18 17:28:52,089 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164200 32840 69.038 -28374 7566.7 -35940 -35940 4.8677 -6.5779 -0.085186 3.1137e+05 2024-05-18 17:29:26,465 INFO [main.py:798]
{rank 0/64} MD step = 164300 step time: 00:00:00.349410 Performance: 34.541 ns/day 0.695 hours/ns 1.999 steps/s 2024-05-18 17:29:31,447 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164300 32860 70.967 -28171 7778 -35950 -35950 4.8709 -6.5807 -0.085133 3.1153e+05 2024-05-18 17:30:06,493 INFO [main.py:798]
{rank 0/64} MD step = 164400 step time: 00:00:00.353082 Performance: 34.545 ns/day 0.695 hours/ns 1.999 steps/s 2024-05-18 17:30:22,737 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164400 32880 70.5 -28284 7726.9 -36011 -36011 4.8738 -6.5843 -0.085719 3.1175e+05 2024-05-18 17:30:59,270 INFO [main.py:798]
{rank 0/64} MD step = 164500 step time: 00:00:00.370037 Performance: 34.544 ns/day 0.695 hours/ns 1.999 steps/s 2024-05-18 17:31:05,578 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164500 32900 70.249 -28349 7699.3 -36048 -36048 4.8767 -6.5881 -0.084652 3.1194e+05 2024-05-18 17:31:39,562 INFO [main.py:798]
{rank 0/64} MD step = 164600 step time: 00:00:00.337989 Performance: 34.548 ns/day 0.695 hours/ns 1.999 steps/s 2024-05-18 17:31:46,334 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164600 32920 69.729 -28338 7642.4 -35980 -35980 4.8793 -6.5921 -0.084062 3.1213e+05 2024-05-18 17:32:20,780 INFO [main.py:798]
{rank 0/64} MD step = 164700 step time: 00:00:00.353549 Performance: 34.552 ns/day 0.695 hours/ns 2.000 steps/s 2024-05-18 17:32:30,368 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164700 32940 69.496 -28347 7616.8 -35964 -35964 4.882 -6.5953 -0.083662 3.1233e+05 2024-05-18 17:33:05,170 INFO [main.py:798]
{rank 0/64} MD step = 164800 step time: 00:00:00.332936 Performance: 34.554 ns/day 0.695 hours/ns 2.000 steps/s 2024-05-18 17:33:14,233 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164800 32960 69.321 -28462 7597.7 -36060 -36060 4.8833 -6.5999 -0.082509 3.1251e+05 2024-05-18 17:33:49,466 INFO [main.py:798]
{rank 0/64} MD step = 164900 step time: 00:00:00.331044 Performance: 34.557 ns/day 0.695 hours/ns 2.000 steps/s 2024-05-18 17:34:05,307 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164900 32980 69.717 -28459 7641.1 -36100 -36100 4.8858 -6.6032 -0.082824 3.1269e+05 2024-05-18 17:34:40,291 INFO [main.py:798]
{rank 0/64} MD step = 165000 step time: 00:00:00.349880 Performance: 34.556 ns/day 0.695 hours/ns 2.000 steps/s 2024-05-18 17:34:52,994 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 165000 33000 69.375 -28530 7603.5 -36134 -36134 4.8872 -6.6077 -0.085338 3.1286e+05 2024-05-18 17:35:27,805 INFO [main.py:798]
{rank 0/64} MD step = 165100 step time: 00:00:00.350778 Performance: 34.557 ns/day 0.694 hours/ns 2.000 steps/s 2024-05-18 17:35:36,296 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 165100 33020 69.547 -28516 7622.5 -36138 -36138 4.89 -6.6109 -0.085624 3.1306e+05 2024-05-18 17:36:11,342 INFO [main.py:798]
{rank 0/64} MD step = 165200 step time: 00:00:00.345854 Performance: 34.560 ns/day 0.694 hours/ns 2.000 steps/s 2024-05-18 17:36:18,471 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 165200 33040 70.673 -28408 7745.8 -36154 -36154 4.893 -6.616 -0.086252 3.1327e+05 2024-05-18 17:36:53,675 INFO [main.py:798]
{rank 0/64} MD step = 165300 step time: 00:00:00.353590 Performance: 34.563 ns/day 0.694 hours/ns 2.000 steps/s 2024-05-18 17:37:03,820 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 165300 33060 69.737 -28577 7643.3 -36220 -36220 4.8948 -6.6205 -0.08691 3.1347e+05 2024-05-18 17:37:38,135 INFO [main.py:798]
{rank 0/64} MD step = 165400 step time: 00:00:00.336357 Performance: 34.566 ns/day 0.694 hours/ns 2.000 steps/s 2024-05-18 17:37:51,447 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 165400 33080 70.475 -28498 7724.1 -36222 -36222 4.8972 -6.6245 -0.086576 3.1365e+05 2024-05-18 17:38:25,399 INFO [main.py:798]
{rank 0/64} MD step = 165500 step time: 00:00:00.346655 Performance: 34.567 ns/day 0.694 hours/ns 2.000 steps/s 2024-05-18 17:38:35,471 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 165500 33100 69.521 -28400 7619.6 -36019 -36019 4.8996 -6.6275 -0.086786 3.1386e+05 2024-05-18 17:39:08,960 INFO [main.py:798]
{rank 0/64} MD step = 165600 step time: 00:00:00.348047 Performance: 34.570 ns/day 0.694 hours/ns 2.001 steps/s 2024-05-18 17:39:15,741 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 165600 33120 70.437 -28414 7720 -36134 -36134 4.901 -6.6316 -0.08511 3.1402e+05 2024-05-18 17:39:49,568 INFO [main.py:798]
{rank 0/64} MD step = 165700 step time: 00:00:00.326890 Performance: 34.573 ns/day 0.694 hours/ns 2.001 steps/s 2024-05-18 17:39:55,911 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 165700 33140 69.789 -28447 7649 -36096 -36096 4.9036 -6.6354 -0.085519 3.1421e+05 2024-05-18 17:40:31,013 INFO [main.py:798]
{rank 0/64} MD step = 165800 step time: 00:00:00.326240 Performance: 34.577 ns/day 0.694 hours/ns 2.001 steps/s 2024-05-18 17:40:37,698 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 165800 33160 70.024 -28369 7674.7 -36043 -36043 4.9041 -6.6371 -0.085891 3.1441e+05 2024-05-18 17:41:14,760 INFO [main.py:798]
{rank 0/64} MD step = 165900 step time: 00:00:00.337374 Performance: 34.580 ns/day 0.694 hours/ns 2.001 steps/s 2024-05-18 17:41:23,755 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 165900 33180 70.754 -28197 7754.8 -35951 -35951 4.9072 -6.6396 -0.083386 3.1466e+05 2024-05-18 17:41:58,059 INFO [main.py:798]
{rank 0/64} MD step = 166000 step time: 00:00:00.347361 Performance: 34.582 ns/day 0.694 hours/ns 2.001 steps/s 2024-05-18 17:42:05,161 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166000 33200 69.643 -28587 7633 -36220 -36220 4.9092 -6.6423 -0.081757 3.1481e+05 2024-05-18 17:42:39,991 INFO [main.py:798]
{rank 0/64} MD step = 166100 step time: 00:00:00.338080 Performance: 34.586 ns/day 0.694 hours/ns 2.001 steps/s 2024-05-18 17:42:46,564 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166100 33220 70.362 -28359 7711.7 -36071 -36071 4.9117 -6.6459 -0.081357 3.1502e+05 2024-05-18 17:43:21,101 INFO [main.py:798]
{rank 0/64} MD step = 166200 step time: 00:00:00.337399 Performance: 34.589 ns/day 0.694 hours/ns 2.002 steps/s 2024-05-18 17:43:24,782 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166200 33240 69.775 -28518 7647.5 -36166 -36166 4.9143 -6.6515 -0.080986 3.152e+05 2024-05-18 17:44:01,819 INFO [main.py:798]
{rank 0/64} MD step = 166300 step time: 00:00:00.345144 Performance: 34.593 ns/day 0.694 hours/ns 2.002 steps/s 2024-05-18 17:44:07,129 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166300 33260 70.122 -28398 7685.4 -36083 -36083 4.9167 -6.6561 -0.081033 3.1539e+05 2024-05-18 17:44:41,544 INFO [main.py:798]
{rank 0/64} MD step = 166400 step time: 00:00:00.344950 Performance: 34.598 ns/day 0.694 hours/ns 2.002 steps/s 2024-05-18 17:44:48,061 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166400 33280 70.365 -28373 7712.1 -36085 -36085 4.9191 -6.6601 -0.0805 3.1562e+05 2024-05-18 17:45:22,579 INFO [main.py:798]
{rank 0/64} MD step = 166500 step time: 00:00:00.341166 Performance: 34.601 ns/day 0.694 hours/ns 2.002 steps/s 2024-05-18 17:45:29,912 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166500 33300 70.15 -28391 7688.5 -36080 -36080 4.9222 -6.6645 -0.080005 3.1577e+05 2024-05-18 17:46:03,724 INFO [main.py:798]
{rank 0/64} MD step = 166600 step time: 00:00:00.357737 Performance: 34.605 ns/day 0.694 hours/ns 2.003 steps/s 2024-05-18 17:46:09,593 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166600 33320 70.778 -28302 7757.4 -36059 -36059 4.9238 -6.6672 -0.080595 3.16e+05 2024-05-18 17:46:43,951 INFO [main.py:798]
{rank 0/64} MD step = 166700 step time: 00:00:00.361347 Performance: 34.609 ns/day 0.693 hours/ns 2.003 steps/s 2024-05-18 17:46:49,765 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166700 33340 68.708 -28495 7530.5 -36026 -36026 4.9264 -6.6722 -0.08269 3.1616e+05 2024-05-18 17:47:24,053 INFO [main.py:798]
{rank 0/64} MD step = 166800 step time: 00:00:00.352021 Performance: 34.613 ns/day 0.693 hours/ns 2.003 steps/s 2024-05-18 17:47:30,406 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166800 33360 69.649 -28470 7633.7 -36104 -36104 4.9284 -6.6778 -0.082186 3.1633e+05 2024-05-18 17:48:06,166 INFO [main.py:798]
{rank 0/64} MD step = 166900 step time: 00:00:00.355032 Performance: 34.616 ns/day 0.693 hours/ns 2.003 steps/s 2024-05-18 17:48:13,527 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166900 33380 69.949 -28282 7666.5 -35948 -35948 4.9307 -6.6819 -0.083662 3.1655e+05 2024-05-18 17:48:47,799 INFO [main.py:798]
{rank 0/64} MD step = 167000 step time: 00:00:00.351935 Performance: 34.620 ns/day 0.693 hours/ns 2.003 steps/s 2024-05-18 17:48:54,241 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167000 33400 69.105 -28539 7574 -36113 -36113 4.9327 -6.6844 -0.08169 3.1671e+05 2024-05-18 17:49:28,378 INFO [main.py:798]
{rank 0/64} MD step = 167100 step time: 00:00:00.344224 Performance: 34.624 ns/day 0.693 hours/ns 2.004 steps/s 2024-05-18 17:49:34,303 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167100 33420 69.145 -28498 7578.3 -36076 -36076 4.9332 -6.6896 -0.081395 3.1692e+05 2024-05-18 17:50:09,003 INFO [main.py:798]
{rank 0/64} MD step = 167200 step time: 00:00:00.350483 Performance: 34.627 ns/day 0.693 hours/ns 2.004 steps/s 2024-05-18 17:50:16,253 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167200 33440 71.233 -28194 7807.2 -36002 -36002 4.9356 -6.6935 -0.080157 3.1712e+05 2024-05-18 17:50:49,991 INFO [main.py:798]
{rank 0/64} MD step = 167300 step time: 00:00:00.338377 Performance: 34.631 ns/day 0.693 hours/ns 2.004 steps/s 2024-05-18 17:50:55,612 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167300 33460 70.979 -28223 7779.3 -36002 -36002 4.9384 -6.6976 -0.077928 3.1731e+05 2024-05-18 17:51:29,297 INFO [main.py:798]
{rank 0/64} MD step = 167400 step time: 00:00:00.335128 Performance: 34.636 ns/day 0.693 hours/ns 2.004 steps/s 2024-05-18 17:51:34,944 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167400 33480 69.363 -28476 7602.2 -36078 -36078 4.9417 -6.7018 -0.076538 3.1752e+05 2024-05-18 17:52:09,351 INFO [main.py:798]
{rank 0/64} MD step = 167500 step time: 00:00:00.344384 Performance: 34.640 ns/day 0.693 hours/ns 2.005 steps/s 2024-05-18 17:52:28,692 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167500 33500 70.141 -28434 7687.5 -36122 -36122 4.944 -6.7072 -0.077128 3.1769e+05 2024-05-18 17:53:03,434 INFO [main.py:798]
{rank 0/64} MD step = 167600 step time: 00:00:00.352687 Performance: 34.638 ns/day 0.693 hours/ns 2.005 steps/s 2024-05-18 17:53:15,182 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167600 33520 69.892 -28376 7660.2 -36037 -36037 4.9465 -6.7106 -0.076195 3.1792e+05 2024-05-18 17:53:50,366 INFO [main.py:798]
{rank 0/64} MD step = 167700 step time: 00:00:00.328758 Performance: 34.639 ns/day 0.693 hours/ns 2.005 steps/s 2024-05-18 17:54:10,867 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167700 33540 70.06 -28240 7678.7 -35918 -35918 4.9475 -6.7146 -0.076557 3.1808e+05 2024-05-18 17:54:44,032 INFO [main.py:798]
{rank 0/64} MD step = 167800 step time: 00:00:00.348174 Performance: 34.638 ns/day 0.693 hours/ns 2.004 steps/s 2024-05-18 17:54:53,432 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167800 33560 68.697 -28433 7529.3 -35962 -35962 4.9503 -6.7187 -0.077033 3.183e+05 2024-05-18 17:55:27,345 INFO [main.py:798]
{rank 0/64} MD step = 167900 step time: 00:00:00.348072 Performance: 34.640 ns/day 0.693 hours/ns 2.005 steps/s 2024-05-18 17:55:35,134 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167900 33580 69.8 -28320 7650.1 -35970 -35970 4.9528 -6.7248 -0.076966 3.1847e+05 2024-05-18 17:56:09,899 INFO [main.py:798]
{rank 0/64} MD step = 168000 step time: 00:00:00.351958 Performance: 34.643 ns/day 0.693 hours/ns 2.005 steps/s 2024-05-18 17:56:18,802 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168000 33600 70.209 -28417 7695 -36112 -36112 4.9535 -6.7278 -0.077738 3.1863e+05 2024-05-18 17:56:53,231 INFO [main.py:798]
{rank 0/64} MD step = 168100 step time: 00:00:00.348220 Performance: 34.646 ns/day 0.693 hours/ns 2.005 steps/s 2024-05-18 17:57:02,653 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168100 33620 69.731 -28525 7642.6 -36168 -36168 4.955 -6.7315 -0.076119 3.188e+05 2024-05-18 17:57:39,664 INFO [main.py:798]
{rank 0/64} MD step = 168200 step time: 00:00:00.357279 Performance: 34.647 ns/day 0.693 hours/ns 2.005 steps/s 2024-05-18 17:57:52,367 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168200 33640 69.908 -28542 7662 -36204 -36204 4.9563 -6.7352 -0.075966 3.1901e+05 2024-05-18 17:58:26,301 INFO [main.py:798]
{rank 0/64} MD step = 168300 step time: 00:00:00.341884 Performance: 34.649 ns/day 0.693 hours/ns 2.005 steps/s 2024-05-18 17:58:37,995 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168300 33660 70.114 -28434 7684.6 -36119 -36119 4.9594 -6.741 -0.077261 3.1918e+05 2024-05-18 17:59:11,881 INFO [main.py:798]
{rank 0/64} MD step = 168400 step time: 00:00:00.340073 Performance: 34.650 ns/day 0.693 hours/ns 2.005 steps/s 2024-05-18 17:59:21,131 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168400 33680 70.945 -28220 7775.6 -35996 -35996 4.9628 -6.7462 -0.0771 3.1939e+05 2024-05-18 17:59:55,127 INFO [main.py:798]
{rank 0/64} MD step = 168500 step time: 00:00:00.347842 Performance: 34.653 ns/day 0.693 hours/ns 2.005 steps/s 2024-05-18 18:00:07,100 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168500 33700 69.4 -28376 7606.3 -35982 -35982 4.9662 -6.7491 -0.07608 3.1957e+05 2024-05-18 18:00:42,754 INFO [main.py:798]
{rank 0/64} MD step = 168600 step time: 00:00:00.377043 Performance: 34.654 ns/day 0.693 hours/ns 2.005 steps/s 2024-05-18 18:00:51,421 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168600 33720 69.991 -28455 7671.1 -36126 -36126 4.9689 -6.7534 -0.074995 3.1974e+05 2024-05-18 18:01:25,393 INFO [main.py:798]
{rank 0/64} MD step = 168700 step time: 00:00:00.350236 Performance: 34.657 ns/day 0.692 hours/ns 2.006 steps/s 2024-05-18 18:01:36,722 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168700 33740 70.895 -28552 7770.2 -36322 -36322 4.9737 -6.7574 -0.075242 3.1988e+05 2024-05-18 18:02:11,723 INFO [main.py:798]
{rank 0/64} MD step = 168800 step time: 00:00:00.355047 Performance: 34.659 ns/day 0.692 hours/ns 2.006 steps/s 2024-05-18 18:02:20,290 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168800 33760 68.868 -28783 7548 -36331 -36331 4.9772 -6.7624 -0.074157 3.2007e+05 2024-05-18 18:02:55,560 INFO [main.py:798]
{rank 0/64} MD step = 168900 step time: 00:00:00.376278 Performance: 34.661 ns/day 0.692 hours/ns 2.006 steps/s 2024-05-18 18:03:04,593 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168900 33780 70.574 -28438 7735 -36173 -36173 4.9805 -6.7657 -0.073957 3.2026e+05 2024-05-18 18:03:39,211 INFO [main.py:798]
{rank 0/64} MD step = 169000 step time: 00:00:00.350574 Performance: 34.664 ns/day 0.692 hours/ns 2.006 steps/s 2024-05-18 18:03:47,627 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 169000 33800 70.56 -28295 7733.5 -36028 -36028 4.9826 -6.7696 -0.073128 3.2049e+05 2024-05-18 18:04:21,826 INFO [main.py:798]
{rank 0/64} MD step = 169100 step time: 00:00:00.345389 Performance: 34.667 ns/day 0.692 hours/ns 2.006 steps/s 2024-05-18 18:04:33,677 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 169100 33820 70.224 -28211 7696.7 -35908 -35908 4.9871 -6.7723 -0.072652 3.2071e+05 2024-05-18 18:05:10,199 INFO [main.py:798]
{rank 0/64} MD step = 169200 step time: 00:00:00.327979 Performance: 34.667 ns/day 0.692 hours/ns 2.006 steps/s 2024-05-18 18:05:19,860 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 169200 33840 69.394 -28541 7605.7 -36147 -36147 4.9901 -6.7764 -0.070937 3.209e+05 2024-05-18 18:05:54,846 INFO [main.py:798]
{rank 0/64} MD step = 169300 step time: 00:00:00.343632 Performance: 34.669 ns/day 0.692 hours/ns 2.006 steps/s 2024-05-18 18:06:03,770 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 169300 33860 70.458 -28283 7722.3 -36005 -36005 4.9932 -6.7805 -0.069785 3.2108e+05 2024-05-18 18:06:37,951 INFO [main.py:798]
{rank 0/64} MD step = 169400 step time: 00:00:00.343255 Performance: 34.672 ns/day 0.692 hours/ns 2.006 steps/s 2024-05-18 18:07:00,950 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 169400 33880 70.334 -28360 7708.7 -36069 -36069 4.9964 -6.7853 -0.070737 3.2129e+05 2024-05-18 18:07:34,889 INFO [main.py:798]
{rank 0/64} MD step = 169500 step time: 00:00:00.351615 Performance: 34.669 ns/day 0.692 hours/ns 2.006 steps/s 2024-05-18 18:07:41,450 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 169500 33900 70.297 -28352 7704.7 -36057 -36057 5.0002 -6.7868 -0.070518 3.2148e+05 2024-05-18 18:08:17,285 INFO [main.py:798]
{rank 0/64} MD step = 169600 step time: 00:00:00.351990 Performance: 34.672 ns/day 0.692 hours/ns 2.006 steps/s 2024-05-18 18:08:36,313 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 169600 33920 70.143 -28401 7687.8 -36089 -36089 5.0013 -6.7916 -0.069699 3.2167e+05 2024-05-18 18:09:12,687 INFO [main.py:798]
{rank 0/64} MD step = 169700 step time: 00:00:00.329085 Performance: 34.670 ns/day 0.692 hours/ns 2.006 steps/s 2024-05-18 18:09:19,301 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 169700 33940 69.802 -28443 7650.4 -36093 -36093 5.0023 -6.794 -0.068023 3.2186e+05 2024-05-18 18:09:53,887 INFO [main.py:798]
{rank 0/64} MD step = 169800 step time: 00:00:00.327863 Performance: 34.673 ns/day 0.692 hours/ns 2.007 steps/s 2024-05-18 18:10:00,027 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 169800 33960 69.933 -28275 7664.8 -35939 -35939 5.0059 -6.7994 -0.067051 3.2204e+05 2024-05-18 18:10:34,557 INFO [main.py:798]
{rank 0/64} MD step = 169900 step time: 00:00:00.329120 Performance: 34.677 ns/day 0.692 hours/ns 2.007 steps/s 2024-05-18 18:10:41,950 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 169900 33980 69.78 -28287 7648 -35935 -35935 5.0088 -6.8019 -0.066366 3.2226e+05 2024-05-18 18:11:19,836 INFO [main.py:798]
{rank 0/64} MD step = 170000 step time: 00:00:00.327380 Performance: 34.679 ns/day 0.692 hours/ns 2.007 steps/s 2024-05-18 18:11:26,920 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170000 34000 68.685 -28606 7528 -36134 -36134 5.0104 -6.8075 -0.066366 3.2242e+05 2024-05-18 18:12:03,365 INFO [main.py:798]
{rank 0/64} MD step = 170100 step time: 00:00:00.329732 Performance: 34.682 ns/day 0.692 hours/ns 2.007 steps/s 2024-05-18 18:12:11,725 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170100 34020 69.36 -28527 7601.9 -36128 -36128 5.0137 -6.8115 -0.065451 3.2259e+05 2024-05-18 18:12:45,816 INFO [main.py:798]
{rank 0/64} MD step = 170200 step time: 00:00:00.333266 Performance: 34.685 ns/day 0.692 hours/ns 2.007 steps/s 2024-05-18 18:12:55,094 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170200 34040 69.791 -28324 7649.2 -35973 -35973 5.0153 -6.8146 -0.065761 3.2279e+05 2024-05-18 18:13:29,516 INFO [main.py:798]
{rank 0/64} MD step = 170300 step time: 00:00:00.340946 Performance: 34.687 ns/day 0.692 hours/ns 2.007 steps/s 2024-05-18 18:13:35,207 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170300 34060 70.643 -28307 7742.6 -36049 -36049 5.019 -6.8193 -0.064747 3.2295e+05 2024-05-18 18:14:11,670 INFO [main.py:798]
{rank 0/64} MD step = 170400 step time: 00:00:00.326602 Performance: 34.690 ns/day 0.692 hours/ns 2.008 steps/s 2024-05-18 18:14:17,760 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170400 34080 69.757 -28345 7645.5 -35990 -35990 5.022 -6.8218 -0.064232 3.2318e+05 2024-05-18 18:14:52,085 INFO [main.py:798]
{rank 0/64} MD step = 170500 step time: 00:00:00.327190 Performance: 34.694 ns/day 0.692 hours/ns 2.008 steps/s 2024-05-18 18:14:59,630 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170500 34100 69.734 -28277 7643 -35920 -35920 5.0253 -6.8259 -0.065147 3.2341e+05 2024-05-18 18:15:34,032 INFO [main.py:798]
{rank 0/64} MD step = 170600 step time: 00:00:00.326888 Performance: 34.697 ns/day 0.692 hours/ns 2.008 steps/s 2024-05-18 18:15:45,410 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170600 34120 70.392 -28271 7715 -35986 -35986 5.0304 -6.8305 -0.064061 3.2358e+05 2024-05-18 18:16:21,034 INFO [main.py:798]
{rank 0/64} MD step = 170700 step time: 00:00:00.325424 Performance: 34.699 ns/day 0.692 hours/ns 2.008 steps/s 2024-05-18 18:16:29,176 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170700 34140 69.895 -28502 7660.6 -36163 -36163 5.0338 -6.8326 -0.064537 3.2376e+05 2024-05-18 18:17:03,763 INFO [main.py:798]
{rank 0/64} MD step = 170800 step time: 00:00:00.326190 Performance: 34.701 ns/day 0.692 hours/ns 2.008 steps/s 2024-05-18 18:17:22,409 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170800 34160 69.956 -28367 7667.3 -36035 -36035 5.0377 -6.8369 -0.066328 3.2394e+05 2024-05-18 18:17:56,826 INFO [main.py:798]
{rank 0/64} MD step = 170900 step time: 00:00:00.350197 Performance: 34.700 ns/day 0.692 hours/ns 2.008 steps/s 2024-05-18 18:18:04,357 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170900 34180 71.044 -28194 7786.5 -35980 -35980 5.0392 -6.8406 -0.065623 3.2414e+05 2024-05-18 18:18:38,849 INFO [main.py:798]
{rank 0/64} MD step = 171000 step time: 00:00:00.355862 Performance: 34.703 ns/day 0.692 hours/ns 2.008 steps/s 2024-05-18 18:18:44,813 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 171000 34200 69.148 -28544 7578.7 -36123 -36123 5.0435 -6.8449 -0.065132 3.2428e+05 2024-05-18 18:19:18,713 INFO [main.py:798]
{rank 0/64} MD step = 171100 step time: 00:00:00.355840 Performance: 34.707 ns/day 0.691 hours/ns 2.009 steps/s 2024-05-18 18:19:33,240 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 171100 34220 70.176 -28287 7691.3 -35978 -35978 5.0477 -6.8495 -0.064994 3.2446e+05 2024-05-18 18:20:07,508 INFO [main.py:798]
{rank 0/64} MD step = 171200 step time: 00:00:00.337036 Performance: 34.708 ns/day 0.691 hours/ns 2.009 steps/s 2024-05-18 18:20:12,828 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 171200 34240 69.866 -28445 7657.4 -36102 -36102 5.0514 -6.854 -0.064604 3.2465e+05 2024-05-18 18:20:47,307 INFO [main.py:798]
{rank 0/64} MD step = 171300 step time: 00:00:00.359284 Performance: 34.712 ns/day 0.691 hours/ns 2.009 steps/s 2024-05-18 18:20:53,768 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 171300 34260 71.128 -28219 7795.7 -36015 -36015 5.0544 -6.8578 -0.063756 3.2481e+05 2024-05-18 18:21:29,409 INFO [main.py:798]
{rank 0/64} MD step = 171400 step time: 00:00:00.349206 Performance: 34.715 ns/day 0.691 hours/ns 2.009 steps/s 2024-05-18 18:21:35,997 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 171400 34280 69.857 -28424 7656.4 -36080 -36080 5.057 -6.8614 -0.063413 3.2501e+05 2024-05-18 18:22:10,176 INFO [main.py:798]
{rank 0/64} MD step = 171500 step time: 00:00:00.336211 Performance: 34.719 ns/day 0.691 hours/ns 2.009 steps/s 2024-05-18 18:22:15,938 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 171500 34300 69.358 -28376 7601.7 -35978 -35978 5.0604 -6.8651 -0.064366 3.2523e+05 2024-05-18 18:22:51,195 INFO [main.py:798]
{rank 0/64} MD step = 171600 step time: 00:00:00.381821 Performance: 34.722 ns/day 0.691 hours/ns 2.009 steps/s 2024-05-18 18:23:01,818 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 171600 34320 68.75 -28650 7535.1 -36185 -36185 5.0634 -6.8676 -0.067337 3.2544e+05 2024-05-18 18:23:34,844 INFO [main.py:798]
{rank 0/64} MD step = 171700 step time: 00:00:00.384795 Performance: 34.725 ns/day 0.691 hours/ns 2.010 steps/s 2024-05-18 18:23:41,194 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 171700 34340 69.142 -28510 7578.1 -36088 -36088 5.0654 -6.8711 -0.066432 3.2563e+05 2024-05-18 18:24:15,245 INFO [main.py:798]
{rank 0/64} MD step = 171800 step time: 00:00:00.327281 Performance: 34.728 ns/day 0.691 hours/ns 2.010 steps/s 2024-05-18 18:24:21,411 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 171800 34360 70.201 -28209 7694.1 -35903 -35903 5.067 -6.8738 -0.067756 3.2584e+05 2024-05-18 18:24:55,981 INFO [main.py:798]
{rank 0/64} MD step = 171900 step time: 00:00:00.344944 Performance: 34.732 ns/day 0.691 hours/ns 2.010 steps/s 2024-05-18 18:25:04,246 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 171900 34380 71.158 -28428 7799 -36227 -36227 5.0704 -6.8771 -0.066442 3.2598e+05 2024-05-18 18:25:40,076 INFO [main.py:798]
{rank 0/64} MD step = 172000 step time: 00:00:00.373093 Performance: 34.734 ns/day 0.691 hours/ns 2.010 steps/s 2024-05-18 18:25:47,204 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172000 34400 69.355 -28299 7601.4 -35901 -35901 5.0743 -6.8806 -0.066566 3.2621e+05 2024-05-18 18:26:21,664 INFO [main.py:798]
{rank 0/64} MD step = 172100 step time: 00:00:00.335971 Performance: 34.738 ns/day 0.691 hours/ns 2.010 steps/s 2024-05-18 18:26:30,718 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172100 34420 69.422 -28427 7608.7 -36036 -36036 5.077 -6.8844 -0.066699 3.2637e+05 2024-05-18 18:27:05,665 INFO [main.py:798]
{rank 0/64} MD step = 172200 step time: 00:00:00.329269 Performance: 34.740 ns/day 0.691 hours/ns 2.010 steps/s 2024-05-18 18:27:19,511 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172200 34440 70.319 -28291 7707.1 -35998 -35998 5.0815 -6.888 -0.065089 3.266e+05 2024-05-18 18:27:53,801 INFO [main.py:798]
{rank 0/64} MD step = 172300 step time: 00:00:00.348803 Performance: 34.741 ns/day 0.691 hours/ns 2.010 steps/s 2024-05-18 18:28:03,204 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172300 34460 69.773 -28384 7647.2 -36031 -36031 5.0849 -6.8926 -0.066175 3.2677e+05 2024-05-18 18:28:36,946 INFO [main.py:798]
{rank 0/64} MD step = 172400 step time: 00:00:00.342690 Performance: 34.743 ns/day 0.691 hours/ns 2.011 steps/s 2024-05-18 18:28:45,693 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172400 34480 69.298 -28579 7595.2 -36174 -36174 5.0873 -6.8972 -0.066575 3.2692e+05 2024-05-18 18:29:20,517 INFO [main.py:798]
{rank 0/64} MD step = 172500 step time: 00:00:00.354789 Performance: 34.746 ns/day 0.691 hours/ns 2.011 steps/s 2024-05-18 18:29:29,931 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172500 34500 69.257 -28547 7590.7 -36138 -36138 5.0908 -6.8997 -0.067337 3.2712e+05 2024-05-18 18:30:05,014 INFO [main.py:798]
{rank 0/64} MD step = 172600 step time: 00:00:00.367548 Performance: 34.748 ns/day 0.691 hours/ns 2.011 steps/s 2024-05-18 18:30:14,422 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172600 34520 70.031 -28514 7675.5 -36190 -36190 5.0915 -6.9049 -0.067204 3.2731e+05 2024-05-18 18:30:49,754 INFO [main.py:798]
{rank 0/64} MD step = 172700 step time: 00:00:00.357182 Performance: 34.750 ns/day 0.691 hours/ns 2.011 steps/s 2024-05-18 18:31:04,468 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172700 34540 70.453 -28342 7721.7 -36064 -36064 5.0938 -6.9086 -0.066804 3.2751e+05 2024-05-18 18:31:39,305 INFO [main.py:798]
{rank 0/64} MD step = 172800 step time: 00:00:00.338356 Performance: 34.750 ns/day 0.691 hours/ns 2.011 steps/s 2024-05-18 18:31:48,722 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172800 34560 68.779 -28701 7538.3 -36239 -36239 5.0965 -6.915 -0.064613 3.2767e+05 2024-05-18 18:32:23,111 INFO [main.py:798]
{rank 0/64} MD step = 172900 step time: 00:00:00.349222 Performance: 34.752 ns/day 0.691 hours/ns 2.011 steps/s 2024-05-18 18:32:37,594 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172900 34580 69.329 -28494 7598.5 -36092 -36092 5.0975 -6.9181 -0.063623 3.279e+05 2024-05-18 18:33:12,274 INFO [main.py:798]
{rank 0/64} MD step = 173000 step time: 00:00:00.342680 Performance: 34.753 ns/day 0.691 hours/ns 2.011 steps/s 2024-05-18 18:33:22,469 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173000 34600 70.604 -28420 7738.3 -36158 -36158 5.0988 -6.9217 -0.063185 3.2809e+05 2024-05-18 18:33:57,701 INFO [main.py:798]
{rank 0/64} MD step = 173100 step time: 00:00:00.370059 Performance: 34.754 ns/day 0.691 hours/ns 2.011 steps/s 2024-05-18 18:34:05,150 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173100 34620 68.488 -28658 7506.4 -36165 -36165 5.1012 -6.9261 -0.062904 3.2828e+05 2024-05-18 18:34:42,961 INFO [main.py:798]
{rank 0/64} MD step = 173200 step time: 00:00:00.356383 Performance: 34.756 ns/day 0.691 hours/ns 2.011 steps/s 2024-05-18 18:34:57,416 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173200 34640 69.585 -28534 7626.6 -36160 -36160 5.1069 -6.9289 -0.063775 3.2849e+05 2024-05-18 18:35:31,694 INFO [main.py:798]
{rank 0/64} MD step = 173300 step time: 00:00:00.327043 Performance: 34.757 ns/day 0.691 hours/ns 2.011 steps/s 2024-05-18 18:35:43,167 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173300 34660 70.874 -28425 7767.8 -36193 -36193 5.111 -6.9329 -0.063389 3.2871e+05 2024-05-18 18:36:19,408 INFO [main.py:798]
{rank 0/64} MD step = 173400 step time: 00:00:00.327983 Performance: 34.757 ns/day 0.691 hours/ns 2.011 steps/s 2024-05-18 18:36:30,720 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173400 34680 70.49 -28291 7725.8 -36017 -36017 5.113 -6.936 -0.061546 3.289e+05 2024-05-18 18:37:04,395 INFO [main.py:798]
{rank 0/64} MD step = 173500 step time: 00:00:00.334584 Performance: 34.759 ns/day 0.690 hours/ns 2.012 steps/s 2024-05-18 18:37:16,719 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173500 34700 70.272 -28414 7701.9 -36116 -36116 5.116 -6.9394 -0.059813 3.291e+05 2024-05-18 18:37:51,058 INFO [main.py:798]
{rank 0/64} MD step = 173600 step time: 00:00:00.347040 Performance: 34.761 ns/day 0.690 hours/ns 2.012 steps/s 2024-05-18 18:38:08,495 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173600 34720 70.51 -28211 7727.9 -35939 -35939 5.1195 -6.9427 -0.060322 3.2929e+05 2024-05-18 18:38:43,071 INFO [main.py:798]
{rank 0/64} MD step = 173700 step time: 00:00:00.348718 Performance: 34.760 ns/day 0.690 hours/ns 2.012 steps/s 2024-05-18 18:38:55,124 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173700 34740 69.47 -28448 7614 -36062 -36062 5.122 -6.9471 -0.060051 3.295e+05 2024-05-18 18:39:29,928 INFO [main.py:798]
{rank 0/64} MD step = 173800 step time: 00:00:00.364889 Performance: 34.761 ns/day 0.690 hours/ns 2.012 steps/s 2024-05-18 18:39:41,059 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173800 34760 71.038 -28281 7785.8 -36067 -36067 5.1257 -6.9511 -0.060118 3.2968e+05 2024-05-18 18:40:15,515 INFO [main.py:798]
{rank 0/64} MD step = 173900 step time: 00:00:00.352580 Performance: 34.762 ns/day 0.690 hours/ns 2.012 steps/s 2024-05-18 18:40:24,399 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173900 34780 69.624 -28561 7630.9 -36192 -36192 5.1281 -6.9543 -0.060537 3.2984e+05 2024-05-18 18:40:58,522 INFO [main.py:798]
{rank 0/64} MD step = 174000 step time: 00:00:00.348714 Performance: 34.765 ns/day 0.690 hours/ns 2.012 steps/s 2024-05-18 18:41:08,449 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174000 34800 70.32 -28508 7707.2 -36215 -36215 5.1297 -6.9587 -0.061299 3.3005e+05 2024-05-18 18:41:42,743 INFO [main.py:798]
{rank 0/64} MD step = 174100 step time: 00:00:00.336205 Performance: 34.767 ns/day 0.690 hours/ns 2.012 steps/s 2024-05-18 18:41:52,887 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174100 34820 69.342 -28598 7600 -36198 -36198 5.131 -6.963 -0.061184 3.3025e+05 2024-05-18 18:42:27,944 INFO [main.py:798]
{rank 0/64} MD step = 174200 step time: 00:00:00.355937 Performance: 34.769 ns/day 0.690 hours/ns 2.012 steps/s 2024-05-18 18:42:36,812 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174200 34840 70.337 -28245 7709 -35954 -35954 5.1358 -6.9669 -0.060727 3.305e+05 2024-05-18 18:43:12,594 INFO [main.py:798]
{rank 0/64} MD step = 174300 step time: 00:00:00.331785 Performance: 34.771 ns/day 0.690 hours/ns 2.012 steps/s 2024-05-18 18:43:20,747 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174300 34860 69.822 -28367 7652.6 -36020 -36020 5.1403 -6.9717 -0.060022 3.3067e+05 2024-05-18 18:43:55,692 INFO [main.py:798]
{rank 0/64} MD step = 174400 step time: 00:00:00.327910 Performance: 34.774 ns/day 0.690 hours/ns 2.012 steps/s 2024-05-18 18:44:03,294 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174400 34880 70.357 -28359 7711.2 -36071 -36071 5.1444 -6.9774 -0.060656 3.3083e+05 2024-05-18 18:44:37,886 INFO [main.py:798]
{rank 0/64} MD step = 174500 step time: 00:00:00.328874 Performance: 34.777 ns/day 0.690 hours/ns 2.013 steps/s 2024-05-18 18:44:44,695 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174500 34900 69.136 -28461 7577.4 -36038 -36038 5.1462 -6.9826 -0.059241 3.3105e+05 2024-05-18 18:45:20,987 INFO [main.py:798]
{rank 0/64} MD step = 174600 step time: 00:00:00.326156 Performance: 34.779 ns/day 0.690 hours/ns 2.013 steps/s 2024-05-18 18:45:30,896 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174600 34920 69.713 -28306 7640.6 -35946 -35946 5.1489 -6.9877 -0.059165 3.3124e+05 2024-05-18 18:46:04,472 INFO [main.py:798]
{rank 0/64} MD step = 174700 step time: 00:00:00.336111 Performance: 34.782 ns/day 0.690 hours/ns 2.013 steps/s 2024-05-18 18:46:18,757 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174700 34940 69.999 -28405 7672 -36077 -36077 5.1493 -6.9914 -0.058956 3.3146e+05 2024-05-18 18:46:53,347 INFO [main.py:798]
{rank 0/64} MD step = 174800 step time: 00:00:00.326998 Performance: 34.782 ns/day 0.690 hours/ns 2.013 steps/s 2024-05-18 18:47:09,261 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174800 34960 70.006 -28440 7672.8 -36113 -36113 5.1528 -6.9951 -0.058118 3.3163e+05 2024-05-18 18:47:43,518 INFO [main.py:798]
{rank 0/64} MD step = 174900 step time: 00:00:00.337414 Performance: 34.782 ns/day 0.690 hours/ns 2.013 steps/s 2024-05-18 18:47:55,108 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174900 34980 70.065 -28374 7679.2 -36053 -36053 5.1543 -6.9991 -0.056575 3.318e+05 2024-05-18 18:48:29,601 INFO [main.py:798]
{rank 0/64} MD step = 175000 step time: 00:00:00.344795 Performance: 34.783 ns/day 0.690 hours/ns 2.013 steps/s 2024-05-18 18:48:37,501 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 175000 35000 70.251 -28371 7699.6 -36071 -36071 5.1563 -7.0019 -0.056346 3.3198e+05 2024-05-18 18:49:12,402 INFO [main.py:798]
{rank 0/64} MD step = 175100 step time: 00:00:00.350529 Performance: 34.786 ns/day 0.690 hours/ns 2.013 steps/s 2024-05-18 18:49:26,883 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 175100 35020 70.09 -28487 7682 -36169 -36169 5.1587 -7.0048 -0.05406 3.3215e+05 2024-05-18 18:50:01,705 INFO [main.py:798]
{rank 0/64} MD step = 175200 step time: 00:00:00.345747 Performance: 34.786 ns/day 0.690 hours/ns 2.013 steps/s 2024-05-18 18:50:11,147 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 175200 35040 70.262 -28302 7700.8 -36003 -36003 5.1617 -7.0085 -0.05226 3.3237e+05 2024-05-18 18:50:46,132 INFO [main.py:798]
{rank 0/64} MD step = 175300 step time: 00:00:00.357493 Performance: 34.788 ns/day 0.690 hours/ns 2.013 steps/s 2024-05-18 18:50:54,942 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 175300 35060 70.528 -28362 7730 -36092 -36092 5.1629 -7.0131 -0.051279 3.3255e+05 2024-05-18 18:51:29,862 INFO [main.py:798]
{rank 0/64} MD step = 175400 step time: 00:00:00.356604 Performance: 34.791 ns/day 0.690 hours/ns 2.013 steps/s 2024-05-18 18:51:39,470 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 175400 35080 69.268 -28535 7591.8 -36127 -36127 5.166 -7.017 -0.051089 3.3273e+05 2024-05-18 18:52:15,697 INFO [main.py:798]
{rank 0/64} MD step = 175500 step time: 00:00:00.377428 Performance: 34.792 ns/day 0.690 hours/ns 2.013 steps/s 2024-05-18 18:52:24,513 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 175500 35100 69.629 -28519 7631.4 -36151 -36151 5.1676 -7.0217 -0.049574 3.3293e+05 2024-05-18 18:52:59,111 INFO [main.py:798]
{rank 0/64} MD step = 175600 step time: 00:00:00.357384 Performance: 34.795 ns/day 0.690 hours/ns 2.014 steps/s 2024-05-18 18:53:20,231 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 175600 35120 70.763 -28367 7755.7 -36123 -36123 5.1696 -7.0264 -0.049603 3.3312e+05 2024-05-18 18:53:55,267 INFO [main.py:798]
{rank 0/64} MD step = 175700 step time: 00:00:00.329768 Performance: 34.792 ns/day 0.690 hours/ns 2.013 steps/s 2024-05-18 18:54:07,923 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 175700 35140 70.254 -28407 7699.9 -36107 -36107 5.1725 -7.0305 -0.048455 3.3326e+05 2024-05-18 18:54:42,451 INFO [main.py:798]
{rank 0/64} MD step = 175800 step time: 00:00:00.374511 Performance: 34.793 ns/day 0.690 hours/ns 2.013 steps/s 2024-05-18 18:54:58,166 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 175800 35160 70.533 -28452 7730.5 -36183 -36183 5.1739 -7.0335 -0.046745 3.3346e+05 2024-05-18 18:55:32,529 INFO [main.py:798]
{rank 0/64} MD step = 175900 step time: 00:00:00.348980 Performance: 34.793 ns/day 0.690 hours/ns 2.013 steps/s 2024-05-18 18:55:44,654 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 175900 35180 70.676 -28321 7746.2 -36067 -36067 5.177 -7.0375 -0.045984 3.3367e+05 2024-05-18 18:56:18,975 INFO [main.py:798]
{rank 0/64} MD step = 176000 step time: 00:00:00.349650 Performance: 34.794 ns/day 0.690 hours/ns 2.014 steps/s 2024-05-18 18:56:31,349 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176000 35200 70.743 -28473 7753.5 -36227 -36227 5.1775 -7.0418 -0.043745 3.3381e+05 2024-05-18 18:57:05,843 INFO [main.py:798]
{rank 0/64} MD step = 176100 step time: 00:00:00.351383 Performance: 34.795 ns/day 0.690 hours/ns 2.014 steps/s 2024-05-18 18:57:17,025 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176100 35220 69.146 -28529 7578.5 -36108 -36108 5.1794 -7.0461 -0.044155 3.3403e+05 2024-05-18 18:57:50,821 INFO [main.py:798]
{rank 0/64} MD step = 176200 step time: 00:00:00.340636 Performance: 34.797 ns/day 0.690 hours/ns 2.014 steps/s 2024-05-18 18:58:02,848 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176200 35240 69.792 -28572 7649.3 -36222 -36222 5.1825 -7.0497 -0.044117 3.3419e+05 2024-05-18 18:58:36,958 INFO [main.py:798]
{rank 0/64} MD step = 176300 step time: 00:00:00.349611 Performance: 34.799 ns/day 0.690 hours/ns 2.014 steps/s 2024-05-18 18:58:47,151 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176300 35260 70.64 -28460 7742.2 -36202 -36202 5.1836 -7.0539 -0.044612 3.3438e+05 2024-05-18 18:59:22,563 INFO [main.py:798]
{rank 0/64} MD step = 176400 step time: 00:00:00.359529 Performance: 34.800 ns/day 0.690 hours/ns 2.014 steps/s 2024-05-18 18:59:30,034 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176400 35280 70.701 -28258 7749 -36007 -36007 5.1869 -7.0585 -0.044479 3.3462e+05 2024-05-18 19:00:03,821 INFO [main.py:798]
{rank 0/64} MD step = 176500 step time: 00:00:00.359460 Performance: 34.804 ns/day 0.690 hours/ns 2.014 steps/s 2024-05-18 19:00:11,012 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176500 35300 68.899 -28616 7551.5 -36167 -36167 5.1886 -7.0625 -0.043317 3.348e+05 2024-05-18 19:00:45,825 INFO [main.py:798]
{rank 0/64} MD step = 176600 step time: 00:00:00.326614 Performance: 34.807 ns/day 0.690 hours/ns 2.014 steps/s 2024-05-18 19:00:53,498 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176600 35320 70.57 -28404 7734.6 -36138 -36138 5.1923 -7.0674 -0.042507 3.3502e+05 2024-05-18 19:01:27,133 INFO [main.py:798]
{rank 0/64} MD step = 176700 step time: 00:00:00.332985 Performance: 34.810 ns/day 0.689 hours/ns 2.014 steps/s 2024-05-18 19:01:36,395 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176700 35340 70.423 -28511 7718.5 -36229 -36229 5.1934 -7.0698 -0.042021 3.3517e+05 2024-05-18 19:02:10,103 INFO [main.py:798]
{rank 0/64} MD step = 176800 step time: 00:00:00.332278 Performance: 34.813 ns/day 0.689 hours/ns 2.015 steps/s 2024-05-18 19:02:19,166 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176800 35360 70.208 -28500 7694.9 -36195 -36195 5.1966 -7.0752 -0.042402 3.3533e+05 2024-05-18 19:02:53,598 INFO [main.py:798]
{rank 0/64} MD step = 176900 step time: 00:00:00.354047 Performance: 34.815 ns/day 0.689 hours/ns 2.015 steps/s 2024-05-18 19:03:01,229 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176900 35380 70.711 -28446 7750 -36196 -36196 5.2007 -7.0779 -0.042555 3.3553e+05 2024-05-18 19:03:35,720 INFO [main.py:798]
{rank 0/64} MD step = 177000 step time: 00:00:00.357543 Performance: 34.818 ns/day 0.689 hours/ns 2.015 steps/s 2024-05-18 19:03:44,648 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 177000 35400 70.448 -28589 7721.1 -36310 -36310 5.2031 -7.0814 -0.040983 3.357e+05 2024-05-18 19:04:20,211 INFO [main.py:798]
{rank 0/64} MD step = 177100 step time: 00:00:00.372968 Performance: 34.820 ns/day 0.689 hours/ns 2.015 steps/s 2024-05-18 19:04:29,124 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 177100 35420 70.259 -28421 7700.5 -36122 -36122 5.2038 -7.0836 -0.040878 3.359e+05 2024-05-18 19:05:04,932 INFO [main.py:798]
{rank 0/64} MD step = 177200 step time: 00:00:00.370214 Performance: 34.822 ns/day 0.689 hours/ns 2.015 steps/s 2024-05-18 19:05:12,135 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 177200 35440 70.32 -28481 7707.2 -36188 -36188 5.2055 -7.0885 -0.041021 3.3606e+05 2024-05-18 19:05:46,766 INFO [main.py:798]
{rank 0/64} MD step = 177300 step time: 00:00:00.352342 Performance: 34.825 ns/day 0.689 hours/ns 2.015 steps/s 2024-05-18 19:05:51,383 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 177300 35460 69.456 -28516 7612.4 -36128 -36128 5.2068 -7.0926 -0.040231 3.3627e+05 2024-05-18 19:06:27,310 INFO [main.py:798]
{rank 0/64} MD step = 177400 step time: 00:00:00.372254 Performance: 34.829 ns/day 0.689 hours/ns 2.016 steps/s 2024-05-18 19:06:37,009 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 177400 35480 69.654 -28762 7634.1 -36397 -36397 5.2092 -7.0969 -0.039059 3.3646e+05 2024-05-18 19:07:12,241 INFO [main.py:798]
{rank 0/64} MD step = 177500 step time: 00:00:00.365199 Performance: 34.831 ns/day 0.689 hours/ns 2.016 steps/s 2024-05-18 19:07:19,664 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 177500 35500 70.61 -28545 7738.9 -36284 -36284 5.2106 -7.1007 -0.039183 3.3663e+05 2024-05-18 19:07:53,872 INFO [main.py:798]
{rank 0/64} MD step = 177600 step time: 00:00:00.345171 Performance: 34.834 ns/day 0.689 hours/ns 2.016 steps/s 2024-05-18 19:08:04,552 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 177600 35520 70.617 -28478 7739.7 -36218 -36218 5.2135 -7.1049 -0.039564 3.368e+05 2024-05-18 19:08:38,669 INFO [main.py:798]
{rank 0/64} MD step = 177700 step time: 00:00:00.356955 Performance: 34.836 ns/day 0.689 hours/ns 2.016 steps/s 2024-05-18 19:08:44,770 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 177700 35540 69.645 -28628 7633.2 -36261 -36261 5.2131 -7.1091 -0.03884 3.37e+05 2024-05-18 19:09:19,116 INFO [main.py:798]
{rank 0/64} MD step = 177800 step time: 00:00:00.350304 Performance: 34.839 ns/day 0.689 hours/ns 2.016 steps/s 2024-05-18 19:09:25,238 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 177800 35560 69.813 -28670 7651.6 -36322 -36322 5.2163 -7.113 -0.039336 3.3718e+05 2024-05-18 19:09:59,888 INFO [main.py:798]
{rank 0/64} MD step = 177900 step time: 00:00:00.327475 Performance: 34.843 ns/day 0.689 hours/ns 2.016 steps/s 2024-05-18 19:10:14,923 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 177900 35580 69.477 -28665 7614.8 -36279 -36279 5.2184 -7.1174 -0.039202 3.3737e+05 2024-05-18 19:10:48,887 INFO [main.py:798]
{rank 0/64} MD step = 178000 step time: 00:00:00.339112 Performance: 34.843 ns/day 0.689 hours/ns 2.016 steps/s 2024-05-18 19:10:57,196 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 178000 35600 69.906 -28597 7661.7 -36258 -36258 5.2227 -7.1212 -0.037793 3.3761e+05 2024-05-18 19:11:31,884 INFO [main.py:798]
{rank 0/64} MD step = 178100 step time: 00:00:00.339248 Performance: 34.846 ns/day 0.689 hours/ns 2.017 steps/s 2024-05-18 19:11:58,093 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 178100 35620 70.314 -28539 7706.5 -36245 -36245 5.2238 -7.125 -0.036993 3.3779e+05 2024-05-18 19:12:33,463 INFO [main.py:798]
{rank 0/64} MD step = 178200 step time: 00:00:00.327540 Performance: 34.841 ns/day 0.689 hours/ns 2.016 steps/s 2024-05-18 19:12:44,525 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 178200 35640 69.858 -28801 7656.5 -36457 -36457 5.2253 -7.1303 -0.035492 3.3794e+05 2024-05-18 19:13:18,739 INFO [main.py:798]
{rank 0/64} MD step = 178300 step time: 00:00:00.352225 Performance: 34.843 ns/day 0.689 hours/ns 2.016 steps/s 2024-05-18 19:13:23,262 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 178300 35660 70.556 -28596 7733 -36329 -36329 5.2289 -7.1338 -0.037069 3.3818e+05 2024-05-18 19:13:58,379 INFO [main.py:798]
{rank 0/64} MD step = 178400 step time: 00:00:00.352676 Performance: 34.846 ns/day 0.689 hours/ns 2.017 steps/s 2024-05-18 19:14:06,735 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 178400 35680 69.208 -28681 7585.3 -36266 -36266 5.2314 -7.1375 -0.036202 3.3838e+05 2024-05-18 19:14:41,182 INFO [main.py:798]
{rank 0/64} MD step = 178500 step time: 00:00:00.353179 Performance: 34.849 ns/day 0.689 hours/ns 2.017 steps/s 2024-05-18 19:14:47,803 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 178500 35700 69.742 -28516 7643.9 -36160 -36160 5.233 -7.1405 -0.035016 3.3858e+05 2024-05-18 19:15:22,466 INFO [main.py:798]
{rank 0/64} MD step = 178600 step time: 00:00:00.367188 Performance: 34.852 ns/day 0.689 hours/ns 2.017 steps/s 2024-05-18 19:15:32,766 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 178600 35720 69.652 -28721 7633.9 -36355 -36355 5.2336 -7.1446 -0.033964 3.3874e+05 2024-05-18 19:16:09,854 INFO [main.py:798]
{rank 0/64} MD step = 178700 step time: 00:00:00.343993 Performance: 34.853 ns/day 0.689 hours/ns 2.017 steps/s 2024-05-18 19:16:18,952 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 178700 35740 69.091 -28693 7572.4 -36266 -36266 5.2363 -7.1485 -0.031926 3.3898e+05 2024-05-18 19:16:53,025 INFO [main.py:798]
{rank 0/64} MD step = 178800 step time: 00:00:00.349710 Performance: 34.856 ns/day 0.689 hours/ns 2.017 steps/s 2024-05-18 19:16:59,044 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 178800 35760 68.373 -28690 7493.7 -36184 -36184 5.2382 -7.1513 -0.031297 3.3918e+05 2024-05-18 19:17:32,507 INFO [main.py:798]
{rank 0/64} MD step = 178900 step time: 00:00:00.327717 Performance: 34.860 ns/day 0.688 hours/ns 2.017 steps/s 2024-05-18 19:17:38,322 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 178900 35780 70.734 -28547 7752.5 -36299 -36299 5.241 -7.1549 -0.032849 3.3934e+05 2024-05-18 19:18:12,282 INFO [main.py:798]
{rank 0/64} MD step = 179000 step time: 00:00:00.344483 Performance: 34.864 ns/day 0.688 hours/ns 2.018 steps/s 2024-05-18 19:18:17,503 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179000 35800 70.488 -28329 7725.5 -36055 -36055 5.2446 -7.1602 -0.032497 3.3959e+05 2024-05-18 19:18:51,870 INFO [main.py:798]
{rank 0/64} MD step = 179100 step time: 00:00:00.339122 Performance: 34.868 ns/day 0.688 hours/ns 2.018 steps/s 2024-05-18 19:18:57,128 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179100 35820 69.724 -28488 7641.9 -36130 -36130 5.2459 -7.1632 -0.032211 3.3971e+05 2024-05-18 19:19:31,687 INFO [main.py:798]
{rank 0/64} MD step = 179200 step time: 00:00:00.349758 Performance: 34.871 ns/day 0.688 hours/ns 2.018 steps/s 2024-05-18 19:19:37,409 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179200 35840 70.02 -28492 7674.3 -36166 -36166 5.2482 -7.1658 -0.030649 3.3989e+05 2024-05-18 19:20:11,640 INFO [main.py:798]
{rank 0/64} MD step = 179300 step time: 00:00:00.352668 Performance: 34.875 ns/day 0.688 hours/ns 2.018 steps/s 2024-05-18 19:20:15,920 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179300 35860 70.171 -28363 7690.8 -36054 -36054 5.2484 -7.1707 -0.029354 3.4007e+05 2024-05-18 19:20:51,604 INFO [main.py:798]
{rank 0/64} MD step = 179400 step time: 00:00:00.351328 Performance: 34.879 ns/day 0.688 hours/ns 2.018 steps/s 2024-05-18 19:20:59,133 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179400 35880 70.324 -28375 7707.6 -36082 -36082 5.2503 -7.1754 -0.028916 3.4027e+05 2024-05-18 19:21:33,370 INFO [main.py:798]
{rank 0/64} MD step = 179500 step time: 00:00:00.350079 Performance: 34.882 ns/day 0.688 hours/ns 2.019 steps/s 2024-05-18 19:21:39,243 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179500 35900 70.218 -28353 7695.9 -36049 -36049 5.2538 -7.1795 -0.028344 3.4048e+05 2024-05-18 19:22:13,648 INFO [main.py:798]
{rank 0/64} MD step = 179600 step time: 00:00:00.356271 Performance: 34.886 ns/day 0.688 hours/ns 2.019 steps/s 2024-05-18 19:22:21,002 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179600 35920 70.771 -28392 7756.6 -36148 -36148 5.256 -7.1846 -0.027678 3.4068e+05 2024-05-18 19:22:55,626 INFO [main.py:798]
{rank 0/64} MD step = 179700 step time: 00:00:00.352924 Performance: 34.889 ns/day 0.688 hours/ns 2.019 steps/s 2024-05-18 19:23:00,126 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179700 35940 70.785 -28474 7758.1 -36232 -36232 5.2602 -7.1885 -0.027735 3.4084e+05 2024-05-18 19:23:35,491 INFO [main.py:798]
{rank 0/64} MD step = 179800 step time: 00:00:00.347221 Performance: 34.892 ns/day 0.688 hours/ns 2.019 steps/s 2024-05-18 19:23:51,808 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179800 35960 70.154 -28604 7688.9 -36292 -36292 5.2651 -7.1931 -0.026897 3.4106e+05 2024-05-18 19:24:26,144 INFO [main.py:798]
{rank 0/64} MD step = 179900 step time: 00:00:00.336899 Performance: 34.892 ns/day 0.688 hours/ns 2.019 steps/s 2024-05-18 19:24:33,150 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179900 35980 70.654 -28521 7743.7 -36265 -36265 5.2674 -7.1966 -0.026725 3.4122e+05 2024-05-18 19:25:07,845 INFO [main.py:798]
{rank 0/64} MD step = 180000 step time: 00:00:00.352377 Performance: 34.895 ns/day 0.688 hours/ns 2.019 steps/s 2024-05-18 19:25:16,010 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180000 36000 70.273 -28667 7702 -36369 -36369 5.2704 -7.1994 -0.026097 3.4142e+05 2024-05-18 19:25:49,775 INFO [main.py:798]
{rank 0/64} MD step = 180100 step time: 00:00:00.349010 Performance: 34.898 ns/day 0.688 hours/ns 2.020 steps/s 2024-05-18 19:25:59,944 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180100 36020 69.793 -28509 7649.4 -36158 -36158 5.2735 -7.2019 -0.02684 3.4166e+05 2024-05-18 19:26:35,547 INFO [main.py:798]
{rank 0/64} MD step = 180200 step time: 00:00:00.338924 Performance: 34.899 ns/day 0.688 hours/ns 2.020 steps/s 2024-05-18 19:26:47,837 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180200 36040 68.887 -28532 7550.1 -36082 -36082 5.2757 -7.206 -0.025678 3.4185e+05 2024-05-18 19:27:22,167 INFO [main.py:798]
{rank 0/64} MD step = 180300 step time: 00:00:00.349684 Performance: 34.901 ns/day 0.688 hours/ns 2.020 steps/s 2024-05-18 19:27:37,751 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180300 36060 71.016 -28280 7783.4 -36064 -36064 5.2774 -7.2105 -0.026154 3.4207e+05 2024-05-18 19:28:15,167 INFO [main.py:798]
{rank 0/64} MD step = 180400 step time: 00:00:00.337548 Performance: 34.899 ns/day 0.688 hours/ns 2.020 steps/s 2024-05-18 19:28:22,451 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180400 36080 69.675 -28501 7636.5 -36138 -36138 5.2793 -7.2142 -0.026382 3.4225e+05 2024-05-18 19:28:57,273 INFO [main.py:798]
{rank 0/64} MD step = 180500 step time: 00:00:00.354738 Performance: 34.902 ns/day 0.688 hours/ns 2.020 steps/s 2024-05-18 19:29:04,859 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180500 36100 71.218 -28302 7805.6 -36107 -36107 5.2805 -7.2193 -0.026992 3.4244e+05 2024-05-18 19:29:42,493 INFO [main.py:798]
{rank 0/64} MD step = 180600 step time: 00:00:00.328565 Performance: 34.904 ns/day 0.688 hours/ns 2.020 steps/s 2024-05-18 19:29:52,063 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180600 36120 69.661 -28516 7634.9 -36151 -36151 5.2853 -7.2239 -0.026116 3.4262e+05 2024-05-18 19:30:26,665 INFO [main.py:798]
{rank 0/64} MD step = 180700 step time: 00:00:00.338289 Performance: 34.906 ns/day 0.688 hours/ns 2.020 steps/s 2024-05-18 19:30:36,191 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180700 36140 69.886 -28604 7659.6 -36264 -36264 5.2889 -7.2269 -0.025601 3.4279e+05 2024-05-18 19:31:11,995 INFO [main.py:798]
{rank 0/64} MD step = 180800 step time: 00:00:00.330874 Performance: 34.907 ns/day 0.688 hours/ns 2.020 steps/s 2024-05-18 19:31:17,052 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180800 36160 70.231 -28417 7697.5 -36115 -36115 5.2924 -7.2308 -0.02644 3.4301e+05 2024-05-18 19:31:53,164 INFO [main.py:798]
{rank 0/64} MD step = 180900 step time: 00:00:00.326992 Performance: 34.911 ns/day 0.687 hours/ns 2.020 steps/s 2024-05-18 19:32:02,460 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180900 36180 70.094 -28388 7682.4 -36071 -36071 5.2954 -7.2333 -0.025306 3.4316e+05 2024-05-18 19:32:36,261 INFO [main.py:798]
{rank 0/64} MD step = 181000 step time: 00:00:00.350268 Performance: 34.913 ns/day 0.687 hours/ns 2.020 steps/s 2024-05-18 19:32:43,461 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 181000 36200 69.356 -28561 7601.5 -36162 -36162 5.2982 -7.2366 -0.023963 3.4336e+05 2024-05-18 19:33:17,565 INFO [main.py:798]
{rank 0/64} MD step = 181100 step time: 00:00:00.354243 Performance: 34.916 ns/day 0.687 hours/ns 2.021 steps/s 2024-05-18 19:33:24,435 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 181100 36220 69.412 -28478 7607.6 -36085 -36085 5.3012 -7.2401 -0.024982 3.4358e+05 2024-05-18 19:33:59,313 INFO [main.py:798]
{rank 0/64} MD step = 181200 step time: 00:00:00.366284 Performance: 34.919 ns/day 0.687 hours/ns 2.021 steps/s 2024-05-18 19:34:07,473 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 181200 36240 70.524 -28346 7729.5 -36075 -36075 5.3032 -7.2443 -0.024459 3.4377e+05 2024-05-18 19:34:42,853 INFO [main.py:798]
{rank 0/64} MD step = 181300 step time: 00:00:00.376150 Performance: 34.922 ns/day 0.687 hours/ns 2.021 steps/s 2024-05-18 19:34:53,618 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 181300 36260 69.894 -28460 7660.5 -36121 -36121 5.3056 -7.2478 -0.024268 3.4395e+05 2024-05-18 19:35:28,163 INFO [main.py:798]
{rank 0/64} MD step = 181400 step time: 00:00:00.349508 Performance: 34.923 ns/day 0.687 hours/ns 2.021 steps/s 2024-05-18 19:35:41,613 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 181400 36280 69.931 -28631 7664.5 -36295 -36295 5.3121 -7.2521 -0.022239 3.441e+05 2024-05-18 19:36:17,411 INFO [main.py:798]
{rank 0/64} MD step = 181500 step time: 00:00:00.369848 Performance: 34.923 ns/day 0.687 hours/ns 2.021 steps/s 2024-05-18 19:36:26,729 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 181500 36300 69.44 -28688 7610.7 -36298 -36298 5.3153 -7.2568 -0.021716 3.4429e+05 2024-05-18 19:37:01,775 INFO [main.py:798]
{rank 0/64} MD step = 181600 step time: 00:00:00.348090 Performance: 34.925 ns/day 0.687 hours/ns 2.021 steps/s 2024-05-18 19:37:11,832 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 181600 36320 71.529 -28123 7839.7 -35963 -35963 5.3168 -7.2627 -0.022363 3.4448e+05 2024-05-18 19:37:46,219 INFO [main.py:798]
{rank 0/64} MD step = 181700 step time: 00:00:00.328271 Performance: 34.927 ns/day 0.687 hours/ns 2.021 steps/s 2024-05-18 19:37:59,070 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 181700 36340 69.097 -28499 7573.1 -36072 -36072 5.3188 -7.2652 -0.022363 3.4468e+05 2024-05-18 19:38:33,038 INFO [main.py:798]
{rank 0/64} MD step = 181800 step time: 00:00:00.350060 Performance: 34.928 ns/day 0.687 hours/ns 2.021 steps/s 2024-05-18 19:38:44,352 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 181800 36360 69.51 -28430 7618.4 -36048 -36048 5.3214 -7.2675 -0.022135 3.4487e+05 2024-05-18 19:39:18,737 INFO [main.py:798]
{rank 0/64} MD step = 181900 step time: 00:00:00.341987 Performance: 34.930 ns/day 0.687 hours/ns 2.021 steps/s 2024-05-18 19:39:29,852 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 181900 36380 69.742 -28560 7643.8 -36203 -36203 5.3244 -7.272 -0.021868 3.4504e+05 2024-05-18 19:40:03,777 INFO [main.py:798]
{rank 0/64} MD step = 182000 step time: 00:00:00.350471 Performance: 34.932 ns/day 0.687 hours/ns 2.022 steps/s 2024-05-18 19:40:12,981 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 182000 36400 69.753 -28445 7645 -36090 -36090 5.3283 -7.276 -0.019849 3.4527e+05 2024-05-18 19:40:46,869 INFO [main.py:798]
{rank 0/64} MD step = 182100 step time: 00:00:00.328330 Performance: 34.934 ns/day 0.687 hours/ns 2.022 steps/s 2024-05-18 19:41:03,454 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 182100 36420 70.091 -28498 7682 -36180 -36180 5.3312 -7.2789 -0.019211 3.4544e+05 2024-05-18 19:41:37,900 INFO [main.py:798]
{rank 0/64} MD step = 182200 step time: 00:00:00.351241 Performance: 34.933 ns/day 0.687 hours/ns 2.022 steps/s 2024-05-18 19:41:43,757 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 182200 36440 69.339 -28338 7599.6 -35938 -35938 5.3351 -7.283 -0.018158 3.4565e+05 2024-05-18 19:42:18,473 INFO [main.py:798]
{rank 0/64} MD step = 182300 step time: 00:00:00.342031 Performance: 34.937 ns/day 0.687 hours/ns 2.022 steps/s 2024-05-18 19:42:25,432 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 182300 36460 69.192 -28302 7583.6 -35885 -35885 5.3376 -7.2872 -0.01842 3.4585e+05 2024-05-18 19:42:59,577 INFO [main.py:798]
{rank 0/64} MD step = 182400 step time: 00:00:00.355644 Performance: 34.940 ns/day 0.687 hours/ns 2.022 steps/s 2024-05-18 19:43:07,116 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 182400 36480 70.837 -28194 7763.9 -35958 -35958 5.3414 -7.2921 -0.017601 3.4601e+05 2024-05-18 19:43:41,564 INFO [main.py:798]
{rank 0/64} MD step = 182500 step time: 00:00:00.356762 Performance: 34.943 ns/day 0.687 hours/ns 2.022 steps/s 2024-05-18 19:43:49,735 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 182500 36500 69.217 -28455 7586.3 -36041 -36041 5.3432 -7.2978 -0.019277 3.4618e+05 2024-05-18 19:44:23,873 INFO [main.py:798]
{rank 0/64} MD step = 182600 step time: 00:00:00.336884 Performance: 34.946 ns/day 0.687 hours/ns 2.022 steps/s 2024-05-18 19:44:30,645 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 182600 36520 70.49 -28292 7725.7 -36017 -36017 5.3472 -7.3007 -0.017715 3.4638e+05 2024-05-18 19:45:04,165 INFO [main.py:798]
{rank 0/64} MD step = 182700 step time: 00:00:00.343257 Performance: 34.949 ns/day 0.687 hours/ns 2.023 steps/s 2024-05-18 19:45:10,542 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 182700 36540 70.644 -28487 7742.7 -36230 -36230 5.3507 -7.3041 -0.016191 3.4654e+05 2024-05-18 19:45:44,616 INFO [main.py:798]
{rank 0/64} MD step = 182800 step time: 00:00:00.340417 Performance: 34.953 ns/day 0.687 hours/ns 2.023 steps/s 2024-05-18 19:45:49,731 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 182800 36560 70.008 -28349 7673 -36022 -36022 5.354 -7.3099 -0.015525 3.4675e+05 2024-05-18 19:46:24,195 INFO [main.py:798]
{rank 0/64} MD step = 182900 step time: 00:00:00.339318 Performance: 34.957 ns/day 0.687 hours/ns 2.023 steps/s 2024-05-18 19:46:30,004 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 182900 36580 69.79 -28402 7649.1 -36051 -36051 5.3565 -7.3136 -0.01522 3.4693e+05 2024-05-18 19:47:06,883 INFO [main.py:798]
{rank 0/64} MD step = 183000 step time: 00:00:00.326047 Performance: 34.959 ns/day 0.687 hours/ns 2.023 steps/s 2024-05-18 19:47:15,833 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183000 36600 70.567 -28363 7734.3 -36098 -36098 5.359 -7.3157 -0.016496 3.4713e+05 2024-05-18 19:47:51,117 INFO [main.py:798]
{rank 0/64} MD step = 183100 step time: 00:00:00.329108 Performance: 34.961 ns/day 0.686 hours/ns 2.023 steps/s 2024-05-18 19:47:57,197 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183100 36620 69.534 -28398 7621 -36019 -36019 5.3623 -7.3201 -0.015887 3.4733e+05 2024-05-18 19:48:31,777 INFO [main.py:798]
{rank 0/64} MD step = 183200 step time: 00:00:00.351933 Performance: 34.965 ns/day 0.686 hours/ns 2.023 steps/s 2024-05-18 19:48:44,315 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183200 36640 69.151 -28507 7579 -36086 -36086 5.365 -7.3247 -0.015106 3.4752e+05 2024-05-18 19:49:18,845 INFO [main.py:798]
{rank 0/64} MD step = 183300 step time: 00:00:00.326299 Performance: 34.966 ns/day 0.686 hours/ns 2.023 steps/s 2024-05-18 19:49:27,384 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183300 36660 71.091 -28381 7791.7 -36173 -36173 5.3669 -7.3289 -0.01581 3.4771e+05 2024-05-18 19:50:02,350 INFO [main.py:798]
{rank 0/64} MD step = 183400 step time: 00:00:00.326383 Performance: 34.968 ns/day 0.686 hours/ns 2.024 steps/s 2024-05-18 19:50:10,383 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183400 36680 69.907 -28369 7661.9 -36031 -36031 5.3713 -7.3321 -0.014706 3.4791e+05 2024-05-18 19:50:46,349 INFO [main.py:798]
{rank 0/64} MD step = 183500 step time: 00:00:00.331606 Performance: 34.970 ns/day 0.686 hours/ns 2.024 steps/s 2024-05-18 19:50:54,291 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183500 36700 69.39 -28428 7605.2 -36034 -36034 5.3739 -7.3356 -0.015658 3.4807e+05 2024-05-18 19:51:28,570 INFO [main.py:798]
{rank 0/64} MD step = 183600 step time: 00:00:00.349920 Performance: 34.973 ns/day 0.686 hours/ns 2.024 steps/s 2024-05-18 19:51:37,001 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183600 36720 71.124 -28320 7795.3 -36115 -36115 5.3771 -7.339 -0.015391 3.4828e+05 2024-05-18 19:52:11,350 INFO [main.py:798]
{rank 0/64} MD step = 183700 step time: 00:00:00.354435 Performance: 34.975 ns/day 0.686 hours/ns 2.024 steps/s 2024-05-18 19:52:18,246 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183700 36740 69.762 -28451 7646 -36097 -36097 5.3799 -7.3422 -0.013791 3.4851e+05 2024-05-18 19:52:52,558 INFO [main.py:798]
{rank 0/64} MD step = 183800 step time: 00:00:00.351160 Performance: 34.978 ns/day 0.686 hours/ns 2.024 steps/s 2024-05-18 19:53:00,176 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183800 36760 70.174 -28424 7691.1 -36115 -36115 5.3838 -7.3465 -0.012763 3.4868e+05 2024-05-18 19:53:34,937 INFO [main.py:798]
{rank 0/64} MD step = 183900 step time: 00:00:00.355695 Performance: 34.981 ns/day 0.686 hours/ns 2.024 steps/s 2024-05-18 19:53:42,570 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183900 36780 69.057 -28457 7568.7 -36026 -36026 5.3891 -7.3503 -0.012801 3.4887e+05 2024-05-18 19:54:16,713 INFO [main.py:798]
{rank 0/64} MD step = 184000 step time: 00:00:00.345823 Performance: 34.984 ns/day 0.686 hours/ns 2.025 steps/s 2024-05-18 19:54:27,189 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184000 36800 68.823 -28572 7543 -36115 -36115 5.392 -7.3536 -0.012648 3.4904e+05 2024-05-18 19:55:02,761 INFO [main.py:798]
{rank 0/64} MD step = 184100 step time: 00:00:00.369122 Performance: 34.985 ns/day 0.686 hours/ns 2.025 steps/s 2024-05-18 19:55:14,758 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184100 36820 69.691 -28443 7638.2 -36081 -36081 5.3942 -7.358 -0.013753 3.4924e+05 2024-05-18 19:55:49,497 INFO [main.py:798]
{rank 0/64} MD step = 184200 step time: 00:00:00.340893 Performance: 34.986 ns/day 0.686 hours/ns 2.025 steps/s 2024-05-18 19:56:01,914 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184200 36840 69.174 -28508 7581.6 -36090 -36090 5.3958 -7.3609 -0.013744 3.4943e+05 2024-05-18 19:56:38,903 INFO [main.py:798]
{rank 0/64} MD step = 184300 step time: 00:00:00.347665 Performance: 34.986 ns/day 0.686 hours/ns 2.025 steps/s 2024-05-18 19:56:48,850 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184300 36860 69.757 -28417 7645.4 -36063 -36063 5.3994 -7.3641 -0.013286 3.4964e+05 2024-05-18 19:57:23,149 INFO [main.py:798]
{rank 0/64} MD step = 184400 step time: 00:00:00.345748 Performance: 34.988 ns/day 0.686 hours/ns 2.025 steps/s 2024-05-18 19:57:31,729 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184400 36880 70.124 -28330 7685.6 -36016 -36016 5.4034 -7.3681 -0.012686 3.4983e+05 2024-05-18 19:58:06,077 INFO [main.py:798]
{rank 0/64} MD step = 184500 step time: 00:00:00.348125 Performance: 34.991 ns/day 0.686 hours/ns 2.025 steps/s 2024-05-18 19:58:15,584 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184500 36900 69.855 -28387 7656.2 -36044 -36044 5.4058 -7.3721 -0.011963 3.5001e+05 2024-05-18 19:58:49,136 INFO [main.py:798]
{rank 0/64} MD step = 184600 step time: 00:00:00.338333 Performance: 34.993 ns/day 0.686 hours/ns 2.025 steps/s 2024-05-18 19:59:00,501 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184600 36920 69.728 -28388 7642.3 -36030 -36030 5.408 -7.3762 -0.010782 3.5019e+05 2024-05-18 19:59:34,463 INFO [main.py:798]
{rank 0/64} MD step = 184700 step time: 00:00:00.354232 Performance: 34.995 ns/day 0.686 hours/ns 2.025 steps/s 2024-05-18 19:59:47,255 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184700 36940 70.835 -28296 7763.6 -36060 -36060 5.4108 -7.3796 -0.010867 3.5037e+05 2024-05-18 20:00:21,646 INFO [main.py:798]
{rank 0/64} MD step = 184800 step time: 00:00:00.337674 Performance: 34.996 ns/day 0.686 hours/ns 2.025 steps/s 2024-05-18 20:00:32,806 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184800 36960 69.538 -28429 7621.5 -36050 -36050 5.4135 -7.3842 -0.0094196 3.5055e+05 2024-05-18 20:01:08,208 INFO [main.py:798]
{rank 0/64} MD step = 184900 step time: 00:00:00.349672 Performance: 34.997 ns/day 0.686 hours/ns 2.025 steps/s 2024-05-18 20:01:18,892 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184900 36980 69.58 -28423 7626 -36049 -36049 5.4193 -7.3881 -0.0077528 3.5076e+05 2024-05-18 20:01:53,997 INFO [main.py:798]
{rank 0/64} MD step = 185000 step time: 00:00:00.346311 Performance: 34.998 ns/day 0.686 hours/ns 2.025 steps/s 2024-05-18 20:02:03,327 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 185000 37000 69.336 -28330 7599.3 -35930 -35930 5.4232 -7.3923 -0.0076766 3.5096e+05 2024-05-18 20:02:38,227 INFO [main.py:798]
{rank 0/64} MD step = 185100 step time: 00:00:00.358493 Performance: 35.000 ns/day 0.686 hours/ns 2.025 steps/s 2024-05-18 20:02:46,970 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 185100 37020 70.461 -28200 7722.6 -35923 -35923 5.4273 -7.3958 -0.0060003 3.5117e+05 2024-05-18 20:03:20,990 INFO [main.py:798]
{rank 0/64} MD step = 185200 step time: 00:00:00.339454 Performance: 35.003 ns/day 0.686 hours/ns 2.026 steps/s 2024-05-18 20:03:29,297 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 185200 37040 69.488 -28325 7615.9 -35941 -35941 5.4285 -7.3999 -0.006448 3.5138e+05 2024-05-18 20:04:04,379 INFO [main.py:798]
{rank 0/64} MD step = 185300 step time: 00:00:00.350701 Performance: 35.005 ns/day 0.686 hours/ns 2.026 steps/s 2024-05-18 20:04:13,302 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 185300 37060 69.915 -28180 7662.8 -35843 -35843 5.4304 -7.4042 -0.0064004 3.5158e+05 2024-05-18 20:04:47,945 INFO [main.py:798]
{rank 0/64} MD step = 185400 step time: 00:00:00.330068 Performance: 35.007 ns/day 0.686 hours/ns 2.026 steps/s 2024-05-18 20:04:55,846 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 185400 37080 69.273 -28394 7592.4 -35986 -35986 5.4337 -7.409 -0.0077338 3.5177e+05 2024-05-18 20:05:30,557 INFO [main.py:798]
{rank 0/64} MD step = 185500 step time: 00:00:00.329724 Performance: 35.010 ns/day 0.686 hours/ns 2.026 steps/s 2024-05-18 20:05:37,225 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 185500 37100 69.705 -28176 7639.7 -35816 -35816 5.4369 -7.4136 -0.0058479 3.5198e+05 2024-05-18 20:06:13,335 INFO [main.py:798]
{rank 0/64} MD step = 185600 step time: 00:00:00.367089 Performance: 35.012 ns/day 0.685 hours/ns 2.026 steps/s 2024-05-18 20:06:19,445 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 185600 37120 70.098 -28172 7682.8 -35855 -35855 5.4412 -7.4189 -0.0059813 3.5215e+05 2024-05-18 20:06:54,352 INFO [main.py:798]
{rank 0/64} MD step = 185700 step time: 00:00:00.342482 Performance: 35.015 ns/day 0.685 hours/ns 2.026 steps/s 2024-05-18 20:07:02,628 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 185700 37140 70.397 -28213 7715.6 -35929 -35929 5.446 -7.4241 -0.006248 3.5232e+05 2024-05-18 20:07:38,092 INFO [main.py:798]
{rank 0/64} MD step = 185800 step time: 00:00:00.354812 Performance: 35.017 ns/day 0.685 hours/ns 2.026 steps/s 2024-05-18 20:07:48,159 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 185800 37160 69.344 -28300 7600.2 -35900 -35900 5.4494 -7.4289 -0.0071814 3.525e+05 2024-05-18 20:08:23,209 INFO [main.py:798]
{rank 0/64} MD step = 185900 step time: 00:00:00.330963 Performance: 35.019 ns/day 0.685 hours/ns 2.027 steps/s 2024-05-18 20:08:36,109 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 185900 37180 69.756 -28416 7645.4 -36061 -36061 5.4508 -7.4332 -0.0040336 3.5265e+05 2024-05-18 20:09:10,147 INFO [main.py:798]
{rank 0/64} MD step = 186000 step time: 00:00:00.334019 Performance: 35.020 ns/day 0.685 hours/ns 2.027 steps/s 2024-05-18 20:09:33,068 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 186000 37200 69.85 -28263 7655.6 -35919 -35919 5.4512 -7.4365 -0.0045526 3.5287e+05 2024-05-18 20:10:07,603 INFO [main.py:798]
{rank 0/64} MD step = 186100 step time: 00:00:00.339669 Performance: 35.017 ns/day 0.685 hours/ns 2.026 steps/s 2024-05-18 20:10:18,338 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 186100 37220 69.7 -28426 7639.2 -36065 -36065 5.4541 -7.4415 -0.003924 3.5302e+05 2024-05-18 20:10:52,670 INFO [main.py:798]
{rank 0/64} MD step = 186200 step time: 00:00:00.351298 Performance: 35.019 ns/day 0.685 hours/ns 2.027 steps/s 2024-05-18 20:11:45,429 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 186200 37240 70.556 -28085 7733.1 -35818 -35818 5.4559 -7.4478 -0.0026668 3.5322e+05 2024-05-18 20:12:20,323 INFO [main.py:798]
{rank 0/64} MD step = 186300 step time: 00:00:00.353623 Performance: 35.004 ns/day 0.686 hours/ns 2.026 steps/s 2024-05-18 20:12:25,797 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 186300 37260 70.537 -28313 7731 -36044 -36044 5.4598 -7.4513 -0.0013429 3.5338e+05 2024-05-18 20:13:01,079 INFO [main.py:798]
{rank 0/64} MD step = 186400 step time: 00:00:00.351343 Performance: 35.007 ns/day 0.686 hours/ns 2.026 steps/s 2024-05-18 20:13:17,465 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 186400 37280 69.826 -28407 7653 -36060 -36060 5.4609 -7.457 -0.00011429 3.5355e+05 2024-05-18 20:13:54,017 INFO [main.py:798]
{rank 0/64} MD step = 186500 step time: 00:00:00.326258 Performance: 35.006 ns/day 0.686 hours/ns 2.026 steps/s 2024-05-18 20:14:24,345 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 186500 37300 69.432 -28392 7609.8 -36002 -36002 5.4628 -7.4606 0.00047622 3.5374e+05 2024-05-18 20:14:58,279 INFO [main.py:798]
{rank 0/64} MD step = 186600 step time: 00:00:00.348219 Performance: 35.000 ns/day 0.686 hours/ns 2.025 steps/s 2024-05-18 20:15:08,024 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 186600 37320 70.063 -28349 7679 -36028 -36028 5.464 -7.4641 0.0016001 3.5391e+05 2024-05-18 20:15:41,623 INFO [main.py:798]
{rank 0/64} MD step = 186700 step time: 00:00:00.356135 Performance: 35.003 ns/day 0.686 hours/ns 2.026 steps/s 2024-05-18 20:15:47,295 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 186700 37340 70.032 -28495 7675.6 -36170 -36170 5.4659 -7.4695 0.0013429 3.5405e+05 2024-05-18 20:16:24,576 INFO [main.py:798]
{rank 0/64} MD step = 186800 step time: 00:00:00.346743 Performance: 35.005 ns/day 0.686 hours/ns 2.026 steps/s 2024-05-18 20:16:32,892 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 186800 37360 70.639 -28283 7742.1 -36025 -36025 5.4691 -7.4708 0.00045717 3.5429e+05 2024-05-18 20:17:07,697 INFO [main.py:798]
{rank 0/64} MD step = 186900 step time: 00:00:00.347743 Performance: 35.007 ns/day 0.686 hours/ns 2.026 steps/s 2024-05-18 20:17:15,264 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 186900 37380 69.11 -28430 7574.5 -36005 -36005 5.4732 -7.4739 4.7622e-05 3.5451e+05 2024-05-18 20:17:49,977 INFO [main.py:798]
{rank 0/64} MD step = 187000 step time: 00:00:00.348040 Performance: 35.010 ns/day 0.686 hours/ns 2.026 steps/s 2024-05-18 20:18:13,093 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187000 37400 69.227 -28440 7587.4 -36028 -36028 5.477 -7.4781 -0.0020573 3.5469e+05 2024-05-18 20:18:47,512 INFO [main.py:798]
{rank 0/64} MD step = 187100 step time: 00:00:00.372383 Performance: 35.007 ns/day 0.686 hours/ns 2.026 steps/s 2024-05-18 20:18:59,792 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187100 37420 69.851 -28225 7655.8 -35881 -35881 5.4787 -7.482 -0.0032764 3.5488e+05 2024-05-18 20:19:34,303 INFO [main.py:798]
{rank 0/64} MD step = 187200 step time: 00:00:00.326157 Performance: 35.008 ns/day 0.686 hours/ns 2.026 steps/s 2024-05-18 20:19:44,336 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187200 37440 70.648 -28254 7743.1 -35997 -35997 5.4824 -7.485 -0.002362 3.5507e+05 2024-05-18 20:20:19,142 INFO [main.py:798]
{rank 0/64} MD step = 187300 step time: 00:00:00.326359 Performance: 35.010 ns/day 0.686 hours/ns 2.026 steps/s 2024-05-18 20:20:26,939 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187300 37460 69.67 -28545 7636 -36181 -36181 5.4837 -7.4892 -0.00076195 3.5525e+05 2024-05-18 20:21:02,890 INFO [main.py:798]
{rank 0/64} MD step = 187400 step time: 00:00:00.360357 Performance: 35.012 ns/day 0.685 hours/ns 2.026 steps/s 2024-05-18 20:21:10,026 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187400 37480 70.294 -28293 7704.3 -35997 -35997 5.4858 -7.4928 6.667e-05 3.5546e+05 2024-05-18 20:21:44,898 INFO [main.py:798]
{rank 0/64} MD step = 187500 step time: 00:00:00.355953 Performance: 35.014 ns/day 0.685 hours/ns 2.026 steps/s 2024-05-18 20:21:58,056 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187500 37500 70.075 -28464 7680.3 -36145 -36145 5.4904 -7.4969 -0.0010858 3.5564e+05 2024-05-18 20:22:32,516 INFO [main.py:798]
{rank 0/64} MD step = 187600 step time: 00:00:00.348157 Performance: 35.015 ns/day 0.685 hours/ns 2.026 steps/s 2024-05-18 20:22:46,120 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187600 37520 69.944 -28531 7666 -36197 -36197 5.4914 -7.5011 -0.001562 3.5582e+05 2024-05-18 20:23:21,472 INFO [main.py:798]
{rank 0/64} MD step = 187700 step time: 00:00:00.329410 Performance: 35.015 ns/day 0.685 hours/ns 2.026 steps/s 2024-05-18 20:23:30,265 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187700 37540 69.86 -28385 7656.8 -36042 -36042 5.4946 -7.5038 -0.00030478 3.5602e+05 2024-05-18 20:24:04,597 INFO [main.py:798]
{rank 0/64} MD step = 187800 step time: 00:00:00.351418 Performance: 35.018 ns/day 0.685 hours/ns 2.026 steps/s 2024-05-18 20:24:17,511 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187800 37560 69.912 -28485 7662.5 -36147 -36147 5.4959 -7.5072 -0.00034288 3.5622e+05 2024-05-18 20:24:51,580 INFO [main.py:798]
{rank 0/64} MD step = 187900 step time: 00:00:00.353291 Performance: 35.019 ns/day 0.685 hours/ns 2.027 steps/s 2024-05-18 20:24:58,994 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187900 37580 69.613 -28562 7629.6 -36192 -36192 5.4987 -7.5108 0.00023335 3.564e+05 2024-05-18 20:25:34,751 INFO [main.py:798]
{rank 0/64} MD step = 188000 step time: 00:00:00.379764 Performance: 35.021 ns/day 0.685 hours/ns 2.027 steps/s 2024-05-18 20:25:44,318 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 188000 37600 69.907 -28428 7661.9 -36089 -36089 5.503 -7.5142 1.9049e-05 3.5658e+05 2024-05-18 20:26:20,355 INFO [main.py:798]
{rank 0/64} MD step = 188100 step time: 00:00:00.373965 Performance: 35.022 ns/day 0.685 hours/ns 2.027 steps/s 2024-05-18 20:26:30,364 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 188100 37620 69.818 -28329 7652.2 -35982 -35982 5.5073 -7.5184 7.6195e-05 3.5679e+05 2024-05-18 20:27:04,313 INFO [main.py:798]
{rank 0/64} MD step = 188200 step time: 00:00:00.354635 Performance: 35.024 ns/day 0.685 hours/ns 2.027 steps/s 2024-05-18 20:27:09,986 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 188200 37640 69.822 -28441 7652.6 -36093 -36093 5.5141 -7.5218 0.00026668 3.5696e+05 2024-05-18 20:27:46,099 INFO [main.py:798]
{rank 0/64} MD step = 188300 step time: 00:00:00.345286 Performance: 35.027 ns/day 0.685 hours/ns 2.027 steps/s 2024-05-18 20:27:54,244 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 188300 37660 69.643 -28558 7632.9 -36191 -36191 5.5188 -7.5264 0.0019239 3.5714e+05 2024-05-18 20:28:28,469 INFO [main.py:798]
{rank 0/64} MD step = 188400 step time: 00:00:00.353652 Performance: 35.030 ns/day 0.685 hours/ns 2.027 steps/s 2024-05-18 20:28:49,094 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 188400 37680 70.108 -28682 7683.9 -36366 -36366 5.5217 -7.5318 0.0038669 3.5728e+05 2024-05-18 20:29:24,384 INFO [main.py:798]
{rank 0/64} MD step = 188500 step time: 00:00:00.351170 Performance: 35.027 ns/day 0.685 hours/ns 2.027 steps/s 2024-05-18 20:29:35,081 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 188500 37700 69.013 -28621 7563.9 -36185 -36185 5.527 -7.5353 0.0025144 3.5752e+05 2024-05-18 20:30:12,382 INFO [main.py:798]
{rank 0/64} MD step = 188600 step time: 00:00:00.325556 Performance: 35.028 ns/day 0.685 hours/ns 2.027 steps/s 2024-05-18 20:30:19,153 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 188600 37720 70.067 -28379 7679.4 -36059 -36059 5.5307 -7.5394 0.0032716 3.5773e+05 2024-05-18 20:30:52,831 INFO [main.py:798]
{rank 0/64} MD step = 188700 step time: 00:00:00.342391 Performance: 35.031 ns/day 0.685 hours/ns 2.027 steps/s 2024-05-18 20:30:59,794 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 188700 37740 69.213 -28600 7585.9 -36186 -36186 5.5343 -7.5418 0.0046098 3.5791e+05 2024-05-18 20:31:34,387 INFO [main.py:798]
{rank 0/64} MD step = 188800 step time: 00:00:00.346328 Performance: 35.034 ns/day 0.685 hours/ns 2.027 steps/s 2024-05-18 20:31:41,340 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 188800 37760 70.369 -28509 7712.5 -36221 -36221 5.5356 -7.5452 0.005867 3.5811e+05 2024-05-18 20:32:15,341 INFO [main.py:798]
{rank 0/64} MD step = 188900 step time: 00:00:00.355243 Performance: 35.037 ns/day 0.685 hours/ns 2.028 steps/s 2024-05-18 20:32:21,413 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 188900 37780 69.92 -28373 7663.3 -36036 -36036 5.5406 -7.5493 0.0051812 3.583e+05 2024-05-18 20:32:59,759 INFO [main.py:798]
{rank 0/64} MD step = 189000 step time: 00:00:00.348304 Performance: 35.039 ns/day 0.685 hours/ns 2.028 steps/s 2024-05-18 20:33:11,616 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189000 37800 69.372 -28425 7603.3 -36028 -36028 5.5435 -7.5518 0.0059908 3.5848e+05 2024-05-18 20:33:46,238 INFO [main.py:798]
{rank 0/64} MD step = 189100 step time: 00:00:00.325423 Performance: 35.040 ns/day 0.685 hours/ns 2.028 steps/s 2024-05-18 20:33:58,699 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189100 37820 69.768 -28577 7646.7 -36223 -36223 5.547 -7.5549 0.0055813 3.5861e+05 2024-05-18 20:34:34,856 INFO [main.py:798]
{rank 0/64} MD step = 189200 step time: 00:00:00.362337 Performance: 35.040 ns/day 0.685 hours/ns 2.028 steps/s 2024-05-18 20:34:47,673 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189200 37840 70.026 -28396 7675 -36071 -36071 5.5493 -7.5585 0.0056384 3.5886e+05 2024-05-18 20:35:21,718 INFO [main.py:798]
{rank 0/64} MD step = 189300 step time: 00:00:00.352527 Performance: 35.041 ns/day 0.685 hours/ns 2.028 steps/s 2024-05-18 20:35:33,886 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189300 37860 70.803 -28170 7760.1 -35931 -35931 5.55 -7.5626 0.0057718 3.591e+05 2024-05-18 20:36:07,662 INFO [main.py:798]
{rank 0/64} MD step = 189400 step time: 00:00:00.343313 Performance: 35.043 ns/day 0.685 hours/ns 2.028 steps/s 2024-05-18 20:36:15,777 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189400 37880 68.469 -28633 7504.2 -36137 -36137 5.5514 -7.5663 0.0069766 3.5923e+05 2024-05-18 20:36:50,978 INFO [main.py:798]
{rank 0/64} MD step = 189500 step time: 00:00:00.378258 Performance: 35.045 ns/day 0.685 hours/ns 2.028 steps/s 2024-05-18 20:37:02,603 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189500 37900 70.319 -28620 7707 -36327 -36327 5.5529 -7.5713 0.0065908 3.594e+05 2024-05-18 20:37:36,613 INFO [main.py:798]
{rank 0/64} MD step = 189600 step time: 00:00:00.343227 Performance: 35.046 ns/day 0.685 hours/ns 2.028 steps/s 2024-05-18 20:37:45,829 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189600 37920 70.564 -28268 7733.9 -36002 -36002 5.5557 -7.5739 0.005867 3.5963e+05 2024-05-18 20:38:18,943 INFO [main.py:798]
{rank 0/64} MD step = 189700 step time: 00:00:00.348514 Performance: 35.049 ns/day 0.685 hours/ns 2.028 steps/s 2024-05-18 20:38:29,033 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189700 37940 70.633 -28309 7741.5 -36050 -36050 5.5592 -7.58 0.0053336 3.5981e+05 2024-05-18 20:39:03,423 INFO [main.py:798]
{rank 0/64} MD step = 189800 step time: 00:00:00.342663 Performance: 35.051 ns/day 0.685 hours/ns 2.028 steps/s 2024-05-18 20:39:13,232 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189800 37960 70.373 -28335 7713 -36048 -36048 5.5625 -7.5844 0.0062099 3.6e+05 2024-05-18 20:39:48,221 INFO [main.py:798]
{rank 0/64} MD step = 189900 step time: 00:00:00.351620 Performance: 35.052 ns/day 0.685 hours/ns 2.028 steps/s 2024-05-18 20:39:57,852 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189900 37980 71.03 -28322 7785 -36107 -36107 5.5662 -7.5889 0.0056098 3.6019e+05 2024-05-18 20:40:32,376 INFO [main.py:798]
{rank 0/64} MD step = 190000 step time: 00:00:00.344506 Performance: 35.054 ns/day 0.685 hours/ns 2.029 steps/s 2024-05-18 20:40:44,003 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 190000 38000 69.791 -28412 7649.2 -36061 -36061 5.5698 -7.5935 0.0054479 3.604e+05 2024-05-18 20:41:18,603 INFO [main.py:798]
{rank 0/64} MD step = 190100 step time: 00:00:00.354015 Performance: 35.055 ns/day 0.685 hours/ns 2.029 steps/s 2024-05-18 20:41:31,840 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 190100 38020 69.915 -28403 7662.7 -36066 -36066 5.5734 -7.5981 0.0050765 3.6057e+05 2024-05-18 20:42:05,617 INFO [main.py:798]
{rank 0/64} MD step = 190200 step time: 00:00:00.345469 Performance: 35.056 ns/day 0.685 hours/ns 2.029 steps/s 2024-05-18 20:42:23,209 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 190200 38040 70.001 -28489 7672.2 -36161 -36161 5.5784 -7.6012 0.0048003 3.6076e+05 2024-05-18 20:42:59,014 INFO [main.py:798]
{rank 0/64} MD step = 190300 step time: 00:00:00.356974 Performance: 35.055 ns/day 0.685 hours/ns 2.029 steps/s 2024-05-18 20:43:12,307 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 190300 38060 69.795 -28612 7649.6 -36261 -36261 5.5823 -7.6056 0.0055813 3.6094e+05 2024-05-18 20:43:46,836 INFO [main.py:798]
{rank 0/64} MD step = 190400 step time: 00:00:00.347210 Performance: 35.055 ns/day 0.685 hours/ns 2.029 steps/s 2024-05-18 20:44:05,369 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 190400 38080 69.545 -28499 7622.2 -36121 -36121 5.5843 -7.6093 0.0048765 3.6113e+05 2024-05-18 20:44:39,707 INFO [main.py:798]
{rank 0/64} MD step = 190500 step time: 00:00:00.351664 Performance: 35.054 ns/day 0.685 hours/ns 2.029 steps/s 2024-05-18 20:44:49,649 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 190500 38100 70.207 -28502 7694.7 -36196 -36196 5.587 -7.6141 0.0055241 3.6135e+05 2024-05-18 20:45:25,577 INFO [main.py:798]
{rank 0/64} MD step = 190600 step time: 00:00:00.351572 Performance: 35.055 ns/day 0.685 hours/ns 2.029 steps/s 2024-05-18 20:45:36,030 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 190600 38120 71.117 -28392 7794.5 -36187 -36187 5.5907 -7.6185 0.0072195 3.6153e+05 2024-05-18 20:46:10,701 INFO [main.py:798]
{rank 0/64} MD step = 190700 step time: 00:00:00.338374 Performance: 35.057 ns/day 0.685 hours/ns 2.029 steps/s 2024-05-18 20:46:20,366 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 190700 38140 70.442 -28404 7720.6 -36125 -36125 5.5952 -7.6237 0.0080576 3.6172e+05 2024-05-18 20:46:54,738 INFO [main.py:798]
{rank 0/64} MD step = 190800 step time: 00:00:00.360060 Performance: 35.059 ns/day 0.685 hours/ns 2.029 steps/s 2024-05-18 20:47:04,735 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 190800 38160 69.941 -28454 7665.6 -36120 -36120 5.5967 -7.6272 0.0091053 3.6187e+05 2024-05-18 20:47:38,904 INFO [main.py:798]
{rank 0/64} MD step = 190900 step time: 00:00:00.346101 Performance: 35.061 ns/day 0.685 hours/ns 2.029 steps/s 2024-05-18 20:47:51,827 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 190900 38180 69.804 -28496 7650.6 -36147 -36147 5.5998 -7.6304 0.0088624 3.6205e+05 2024-05-18 20:48:26,184 INFO [main.py:798]
{rank 0/64} MD step = 191000 step time: 00:00:00.332630 Performance: 35.061 ns/day 0.685 hours/ns 2.029 steps/s 2024-05-18 20:48:41,666 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191000 38200 70.391 -28518 7715 -36233 -36233 5.6031 -7.6351 0.0096005 3.6224e+05 2024-05-18 20:49:19,309 INFO [main.py:798]
{rank 0/64} MD step = 191100 step time: 00:00:00.369786 Performance: 35.060 ns/day 0.685 hours/ns 2.029 steps/s 2024-05-18 20:49:29,790 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191100 38220 70.951 -28573 7776.3 -36350 -36350 5.6061 -7.6387 0.011105 3.624e+05 2024-05-18 20:50:04,572 INFO [main.py:798]
{rank 0/64} MD step = 191200 step time: 00:00:00.346728 Performance: 35.061 ns/day 0.685 hours/ns 2.029 steps/s 2024-05-18 20:50:14,184 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191200 38240 70.28 -28391 7702.8 -36093 -36093 5.6092 -7.6425 0.011467 3.6265e+05 2024-05-18 20:50:48,680 INFO [main.py:798]
{rank 0/64} MD step = 191300 step time: 00:00:00.325319 Performance: 35.063 ns/day 0.684 hours/ns 2.029 steps/s 2024-05-18 20:50:58,542 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191300 38260 69.69 -28473 7638.1 -36111 -36111 5.6133 -7.6474 0.012648 3.628e+05 2024-05-18 20:51:33,011 INFO [main.py:798]
{rank 0/64} MD step = 191400 step time: 00:00:00.325098 Performance: 35.065 ns/day 0.684 hours/ns 2.029 steps/s 2024-05-18 20:51:41,901 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191400 38280 70.108 -28603 7683.9 -36286 -36286 5.6157 -7.6529 0.01301 3.6299e+05 2024-05-18 20:52:16,576 INFO [main.py:798]
{rank 0/64} MD step = 191500 step time: 00:00:00.347268 Performance: 35.067 ns/day 0.684 hours/ns 2.029 steps/s 2024-05-18 20:52:24,033 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191500 38300 70.15 -28576 7688.5 -36264 -36264 5.6174 -7.657 0.013982 3.6321e+05 2024-05-18 20:52:58,725 INFO [main.py:798]
{rank 0/64} MD step = 191600 step time: 00:00:00.326876 Performance: 35.070 ns/day 0.684 hours/ns 2.030 steps/s 2024-05-18 20:53:09,386 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191600 38320 69.918 -28559 7663.1 -36222 -36222 5.6199 -7.6605 0.01441 3.6337e+05 2024-05-18 20:53:43,647 INFO [main.py:798]
{rank 0/64} MD step = 191700 step time: 00:00:00.352798 Performance: 35.072 ns/day 0.684 hours/ns 2.030 steps/s 2024-05-18 20:53:55,002 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191700 38340 70.556 -28514 7733.1 -36248 -36248 5.6235 -7.6651 0.01362 3.6351e+05 2024-05-18 20:54:29,101 INFO [main.py:798]
{rank 0/64} MD step = 191800 step time: 00:00:00.345155 Performance: 35.073 ns/day 0.684 hours/ns 2.030 steps/s 2024-05-18 20:54:44,732 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191800 38360 69.52 -28470 7619.5 -36090 -36090 5.6256 -7.6693 0.014344 3.6374e+05 2024-05-18 20:55:19,050 INFO [main.py:798]
{rank 0/64} MD step = 191900 step time: 00:00:00.338946 Performance: 35.073 ns/day 0.684 hours/ns 2.030 steps/s 2024-05-18 20:55:31,140 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191900 38380 69.844 -28707 7655 -36362 -36362 5.6307 -7.6732 0.013105 3.6389e+05 2024-05-18 20:56:05,729 INFO [main.py:798]
{rank 0/64} MD step = 192000 step time: 00:00:00.343170 Performance: 35.074 ns/day 0.684 hours/ns 2.030 steps/s 2024-05-18 20:56:15,903 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 192000 38400 70.667 -28471 7745.2 -36216 -36216 5.633 -7.6763 0.014477 3.6408e+05 2024-05-18 20:56:49,165 INFO [main.py:798]
{rank 0/64} MD step = 192100 step time: 00:00:00.353362 Performance: 35.076 ns/day 0.684 hours/ns 2.030 steps/s 2024-05-18 20:56:59,348 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 192100 38420 69.788 -28533 7648.9 -36181 -36181 5.6362 -7.6804 0.015896 3.6434e+05 2024-05-18 20:57:33,551 INFO [main.py:798]
{rank 0/64} MD step = 192200 step time: 00:00:00.348926 Performance: 35.078 ns/day 0.684 hours/ns 2.030 steps/s 2024-05-18 20:57:46,255 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 192200 38440 70.175 -28380 7691.3 -36072 -36072 5.639 -7.6854 0.017711 3.6454e+05 2024-05-18 20:58:20,435 INFO [main.py:798]
{rank 0/64} MD step = 192300 step time: 00:00:00.350178 Performance: 35.079 ns/day 0.684 hours/ns 2.030 steps/s 2024-05-18 20:58:32,570 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 192300 38460 70.006 -28481 7672.8 -36154 -36154 5.6407 -7.6897 0.019563 3.6472e+05 2024-05-18 20:59:13,086 INFO [main.py:798]
{rank 0/64} MD step = 192400 step time: 00:00:00.369589 Performance: 35.077 ns/day 0.684 hours/ns 2.030 steps/s 2024-05-18 20:59:20,986 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 192400 38480 69.144 -28613 7578.3 -36191 -36191 5.6438 -7.6935 0.020839 3.6492e+05 2024-05-18 20:59:54,841 INFO [main.py:798]
{rank 0/64} MD step = 192500 step time: 00:00:00.351505 Performance: 35.080 ns/day 0.684 hours/ns 2.030 steps/s 2024-05-18 21:00:07,598 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 192500 38500 69.678 -28499 7636.8 -36136 -36136 5.6476 -7.6989 0.021887 3.651e+05 2024-05-18 21:00:42,038 INFO [main.py:798]
{rank 0/64} MD step = 192600 step time: 00:00:00.325780 Performance: 35.081 ns/day 0.684 hours/ns 2.030 steps/s 2024-05-18 21:00:51,252 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 192600 38520 70.424 -28271 7718.6 -35989 -35989 5.6504 -7.7029 0.020944 3.6534e+05 2024-05-18 21:01:25,500 INFO [main.py:798]
{rank 0/64} MD step = 192700 step time: 00:00:00.326281 Performance: 35.083 ns/day 0.684 hours/ns 2.030 steps/s 2024-05-18 21:01:34,286 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 192700 38540 68.792 -28702 7539.7 -36242 -36242 5.654 -7.7079 0.02162 3.6548e+05 2024-05-18 21:02:08,531 INFO [main.py:798]
{rank 0/64} MD step = 192800 step time: 00:00:00.327803 Performance: 35.085 ns/day 0.684 hours/ns 2.030 steps/s 2024-05-18 21:02:25,336 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 192800 38560 70.494 -28435 7726.2 -36162 -36162 5.6565 -7.7119 0.022982 3.6571e+05 2024-05-18 21:03:00,655 INFO [main.py:798]
{rank 0/64} MD step = 192900 step time: 00:00:00.336096 Performance: 35.084 ns/day 0.684 hours/ns 2.030 steps/s 2024-05-18 21:03:08,861 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 192900 38580 70.137 -28318 7687.1 -36005 -36005 5.6618 -7.7171 0.022544 3.6595e+05 2024-05-18 21:03:43,206 INFO [main.py:798]
{rank 0/64} MD step = 193000 step time: 00:00:00.357425 Performance: 35.087 ns/day 0.684 hours/ns 2.030 steps/s 2024-05-18 21:03:50,674 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193000 38600 69.161 -28658 7580.2 -36238 -36238 5.6647 -7.7222 0.023706 3.661e+05 2024-05-18 21:04:24,742 INFO [main.py:798]
{rank 0/64} MD step = 193100 step time: 00:00:00.354695 Performance: 35.090 ns/day 0.684 hours/ns 2.031 steps/s 2024-05-18 21:04:32,459 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193100 38620 70.535 -28348 7730.7 -36078 -36078 5.668 -7.7248 0.024973 3.6631e+05 2024-05-18 21:05:06,707 INFO [main.py:798]
{rank 0/64} MD step = 193200 step time: 00:00:00.349269 Performance: 35.092 ns/day 0.684 hours/ns 2.031 steps/s 2024-05-18 21:05:13,531 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193200 38640 68.884 -28665 7549.7 -36215 -36215 5.6714 -7.7305 0.024882 3.665e+05 2024-05-18 21:05:47,861 INFO [main.py:798]
{rank 0/64} MD step = 193300 step time: 00:00:00.350215 Performance: 35.095 ns/day 0.684 hours/ns 2.031 steps/s 2024-05-18 21:06:03,080 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193300 38660 70.332 -28246 7708.5 -35955 -35955 5.6745 -7.7345 0.026097 3.667e+05 2024-05-18 21:06:37,450 INFO [main.py:798]
{rank 0/64} MD step = 193400 step time: 00:00:00.355429 Performance: 35.095 ns/day 0.684 hours/ns 2.031 steps/s 2024-05-18 21:06:51,526 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193400 38680 69.159 -28687 7579.9 -36267 -36267 5.6782 -7.7398 0.026021 3.6682e+05 2024-05-18 21:07:25,325 INFO [main.py:798]
{rank 0/64} MD step = 193500 step time: 00:00:00.348420 Performance: 35.096 ns/day 0.684 hours/ns 2.031 steps/s 2024-05-18 21:07:36,919 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193500 38700 70.043 -28396 7676.7 -36072 -36072 5.6804 -7.745 0.02543 3.6701e+05 2024-05-18 21:08:10,945 INFO [main.py:798]
{rank 0/64} MD step = 193600 step time: 00:00:00.331231 Performance: 35.097 ns/day 0.684 hours/ns 2.031 steps/s 2024-05-18 21:08:21,706 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193600 38720 69.46 -28463 7612.9 -36075 -36075 5.682 -7.75 0.026344 3.6723e+05 2024-05-18 21:08:55,809 INFO [main.py:798]
{rank 0/64} MD step = 193700 step time: 00:00:00.326400 Performance: 35.099 ns/day 0.684 hours/ns 2.031 steps/s 2024-05-18 21:09:05,868 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193700 38740 70.939 -28465 7775 -36240 -36240 5.6844 -7.7528 0.026849 3.6741e+05 2024-05-18 21:09:40,356 INFO [main.py:798]
{rank 0/64} MD step = 193800 step time: 00:00:00.370091 Performance: 35.100 ns/day 0.684 hours/ns 2.031 steps/s 2024-05-18 21:09:51,655 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193800 38760 69.967 -28406 7668.5 -36074 -36074 5.6884 -7.7563 0.028554 3.6762e+05 2024-05-18 21:10:25,432 INFO [main.py:798]
{rank 0/64} MD step = 193900 step time: 00:00:00.345404 Performance: 35.102 ns/day 0.684 hours/ns 2.031 steps/s 2024-05-18 21:10:36,180 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193900 38780 70.69 -28448 7747.7 -36196 -36196 5.6927 -7.7616 0.029087 3.6779e+05 2024-05-18 21:11:12,588 INFO [main.py:798]
{rank 0/64} MD step = 194000 step time: 00:00:00.327137 Performance: 35.103 ns/day 0.684 hours/ns 2.031 steps/s 2024-05-18 21:11:26,338 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 194000 38800 70.775 -28369 7757 -36126 -36126 5.6947 -7.7654 0.029125 3.6798e+05 2024-05-18 21:12:00,347 INFO [main.py:798]
{rank 0/64} MD step = 194100 step time: 00:00:00.325560 Performance: 35.103 ns/day 0.684 hours/ns 2.031 steps/s 2024-05-18 21:12:14,647 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 194100 38820 70.303 -28447 7705.2 -36152 -36152 5.6966 -7.7696 0.028554 3.6815e+05 2024-05-18 21:12:48,821 INFO [main.py:798]
{rank 0/64} MD step = 194200 step time: 00:00:00.371229 Performance: 35.103 ns/day 0.684 hours/ns 2.031 steps/s 2024-05-18 21:13:00,409 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 194200 38840 68.95 -28577 7557 -36134 -36134 5.6996 -7.7756 0.027411 3.6837e+05 2024-05-18 21:13:34,366 INFO [main.py:798]
{rank 0/64} MD step = 194300 step time: 00:00:00.334153 Performance: 35.105 ns/day 0.684 hours/ns 2.032 steps/s 2024-05-18 21:13:42,176 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 194300 38860 70.411 -28546 7717.1 -36263 -36263 5.7014 -7.7799 0.028421 3.6856e+05 2024-05-18 21:14:16,480 INFO [main.py:798]
{rank 0/64} MD step = 194400 step time: 00:00:00.326766 Performance: 35.107 ns/day 0.684 hours/ns 2.032 steps/s 2024-05-18 21:14:25,708 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 194400 38880 69.695 -28510 7638.7 -36149 -36149 5.7041 -7.7834 0.027278 3.6878e+05 2024-05-18 21:15:00,144 INFO [main.py:798]
{rank 0/64} MD step = 194500 step time: 00:00:00.330955 Performance: 35.109 ns/day 0.684 hours/ns 2.032 steps/s 2024-05-18 21:15:07,773 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 194500 38900 70.678 -28322 7746.4 -36068 -36068 5.705 -7.786 0.027992 3.6895e+05 2024-05-18 21:15:42,193 INFO [main.py:798]
{rank 0/64} MD step = 194600 step time: 00:00:00.353807 Performance: 35.112 ns/day 0.684 hours/ns 2.032 steps/s 2024-05-18 21:15:51,534 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 194600 38920 69.374 -28453 7603.4 -36056 -36056 5.7088 -7.7913 0.027811 3.6915e+05 2024-05-18 21:16:25,856 INFO [main.py:798]
{rank 0/64} MD step = 194700 step time: 00:00:00.342050 Performance: 35.114 ns/day 0.683 hours/ns 2.032 steps/s 2024-05-18 21:16:33,365 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 194700 38940 69.15 -28335 7578.9 -35914 -35914 5.7113 -7.7953 0.028154 3.6936e+05 2024-05-18 21:17:07,080 INFO [main.py:798]
{rank 0/64} MD step = 194800 step time: 00:00:00.353802 Performance: 35.117 ns/day 0.683 hours/ns 2.032 steps/s 2024-05-18 21:17:18,601 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 194800 38960 70.509 -28223 7727.8 -35950 -35950 5.7136 -7.7975 0.027502 3.6959e+05 2024-05-18 21:17:53,344 INFO [main.py:798]
{rank 0/64} MD step = 194900 step time: 00:00:00.329825 Performance: 35.118 ns/day 0.683 hours/ns 2.032 steps/s 2024-05-18 21:18:00,180 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 194900 38980 69.794 -28405 7649.5 -36055 -36055 5.7162 -7.8017 0.028916 3.6975e+05 2024-05-18 21:18:36,124 INFO [main.py:798]
{rank 0/64} MD step = 195000 step time: 00:00:00.330821 Performance: 35.120 ns/day 0.683 hours/ns 2.032 steps/s 2024-05-18 21:18:43,852 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 195000 39000 70.119 -28392 7685.1 -36077 -36077 5.7199 -7.8056 0.029564 3.6993e+05 2024-05-18 21:19:18,480 INFO [main.py:798]
{rank 0/64} MD step = 195100 step time: 00:00:00.326020 Performance: 35.123 ns/day 0.683 hours/ns 2.033 steps/s 2024-05-18 21:19:25,394 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 195100 39020 70.88 -28285 7768.6 -36054 -36054 5.7213 -7.81 0.03063 3.7012e+05 2024-05-18 21:20:00,038 INFO [main.py:798]
{rank 0/64} MD step = 195200 step time: 00:00:00.329270 Performance: 35.126 ns/day 0.683 hours/ns 2.033 steps/s 2024-05-18 21:20:13,207 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 195200 39040 70.225 -28285 7696.7 -35982 -35982 5.7249 -7.8146 0.031354 3.7031e+05 2024-05-18 21:20:48,045 INFO [main.py:798]
{rank 0/64} MD step = 195300 step time: 00:00:00.354511 Performance: 35.126 ns/day 0.683 hours/ns 2.033 steps/s 2024-05-18 21:20:59,339 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 195300 39060 69.64 -28517 7632.6 -36149 -36149 5.7271 -7.8184 0.030745 3.705e+05 2024-05-18 21:21:34,599 INFO [main.py:798]
{rank 0/64} MD step = 195400 step time: 00:00:00.346527 Performance: 35.127 ns/day 0.683 hours/ns 2.033 steps/s 2024-05-18 21:21:45,076 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 195400 39080 70.206 -28365 7694.6 -36060 -36060 5.7294 -7.82 0.029735 3.7068e+05 2024-05-18 21:22:20,209 INFO [main.py:798]
{rank 0/64} MD step = 195500 step time: 00:00:00.341770 Performance: 35.128 ns/day 0.683 hours/ns 2.033 steps/s 2024-05-18 21:22:30,585 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 195500 39100 69.993 -28358 7671.3 -36029 -36029 5.7325 -7.8233 0.029925 3.7087e+05 2024-05-18 21:23:05,792 INFO [main.py:798]
{rank 0/64} MD step = 195600 step time: 00:00:00.340539 Performance: 35.130 ns/day 0.683 hours/ns 2.033 steps/s 2024-05-18 21:23:16,204 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 195600 39120 70.323 -28300 7707.5 -36008 -36008 5.7343 -7.8268 0.030116 3.7106e+05 2024-05-18 21:23:51,218 INFO [main.py:798]
{rank 0/64} MD step = 195700 step time: 00:00:00.356106 Performance: 35.131 ns/day 0.683 hours/ns 2.033 steps/s 2024-05-18 21:24:03,070 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 195700 39140 69.905 -28389 7661.6 -36051 -36051 5.7399 -7.8319 0.029906 3.7125e+05 2024-05-18 21:24:39,161 INFO [main.py:798]
{rank 0/64} MD step = 195800 step time: 00:00:00.369725 Performance: 35.132 ns/day 0.683 hours/ns 2.033 steps/s 2024-05-18 21:24:47,837 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 195800 39160 70.073 -28371 7680.1 -36051 -36051 5.7452 -7.8356 0.029983 3.7142e+05 2024-05-18 21:25:23,088 INFO [main.py:798]
{rank 0/64} MD step = 195900 step time: 00:00:00.329401 Performance: 35.133 ns/day 0.683 hours/ns 2.033 steps/s 2024-05-18 21:25:28,367 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 195900 39180 70.502 -28360 7727.1 -36087 -36087 5.7496 -7.8384 0.03023 3.7163e+05 2024-05-18 21:26:02,767 INFO [main.py:798]
{rank 0/64} MD step = 196000 step time: 00:00:00.327063 Performance: 35.137 ns/day 0.683 hours/ns 2.033 steps/s 2024-05-18 21:26:13,594 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 196000 39200 70.973 -28209 7778.7 -35987 -35987 5.7509 -7.8426 0.02964 3.7181e+05 2024-05-18 21:26:49,179 INFO [main.py:798]
{rank 0/64} MD step = 196100 step time: 00:00:00.355537 Performance: 35.138 ns/day 0.683 hours/ns 2.033 steps/s 2024-05-18 21:26:53,811 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 196100 39220 70.179 -28302 7691.7 -35993 -35993 5.7516 -7.8458 0.028916 3.7204e+05 2024-05-18 21:27:29,365 INFO [main.py:798]
{rank 0/64} MD step = 196200 step time: 00:00:00.358458 Performance: 35.141 ns/day 0.683 hours/ns 2.034 steps/s 2024-05-18 21:27:35,481 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 196200 39240 69.971 -28296 7668.9 -35965 -35965 5.7529 -7.8486 0.027983 3.7223e+05 2024-05-18 21:28:09,990 INFO [main.py:798]
{rank 0/64} MD step = 196300 step time: 00:00:00.351819 Performance: 35.144 ns/day 0.683 hours/ns 2.034 steps/s 2024-05-18 21:28:16,367 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 196300 39260 69.402 -28448 7606.5 -36054 -36054 5.7545 -7.8516 0.026116 3.7241e+05 2024-05-18 21:28:51,059 INFO [main.py:798]
{rank 0/64} MD step = 196400 step time: 00:00:00.349413 Performance: 35.147 ns/day 0.683 hours/ns 2.034 steps/s 2024-05-18 21:28:59,260 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 196400 39280 70.215 -28379 7695.6 -36074 -36074 5.7583 -7.8569 0.026097 3.7256e+05 2024-05-18 21:29:31,907 INFO [main.py:798]
{rank 0/64} MD step = 196500 step time: 00:00:00.332266 Performance: 35.150 ns/day 0.683 hours/ns 2.034 steps/s 2024-05-18 21:29:55,527 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 196500 39300 70.249 -28386 7699.4 -36086 -36086 5.7618 -7.8599 0.024554 3.7275e+05 2024-05-18 21:30:29,502 INFO [main.py:798]
{rank 0/64} MD step = 196600 step time: 00:00:00.351392 Performance: 35.147 ns/day 0.683 hours/ns 2.034 steps/s 2024-05-18 21:30:34,908 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 196600 39320 70.43 -28407 7719.2 -36126 -36126 5.7644 -7.8641 0.024754 3.7293e+05 2024-05-18 21:31:09,764 INFO [main.py:798]
{rank 0/64} MD step = 196700 step time: 00:00:00.344653 Performance: 35.150 ns/day 0.683 hours/ns 2.034 steps/s 2024-05-18 21:31:15,509 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 196700 39340 69.385 -28434 7604.7 -36038 -36038 5.7692 -7.8685 0.024773 3.7314e+05 2024-05-18 21:31:49,826 INFO [main.py:798]
{rank 0/64} MD step = 196800 step time: 00:00:00.326701 Performance: 35.154 ns/day 0.683 hours/ns 2.034 steps/s 2024-05-18 21:32:03,466 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 196800 39360 68.445 -28513 7501.7 -36015 -36015 5.7693 -7.8701 0.026363 3.7332e+05 2024-05-18 21:32:38,030 INFO [main.py:798]
{rank 0/64} MD step = 196900 step time: 00:00:00.350079 Performance: 35.154 ns/day 0.683 hours/ns 2.034 steps/s 2024-05-18 21:32:45,986 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 196900 39380 69.918 -28372 7663.1 -36035 -36035 5.7731 -7.8739 0.026859 3.7348e+05 2024-05-18 21:33:22,042 INFO [main.py:798]
{rank 0/64} MD step = 197000 step time: 00:00:00.350294 Performance: 35.156 ns/day 0.683 hours/ns 2.034 steps/s 2024-05-18 21:33:31,871 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197000 39400 70.624 -28179 7740.5 -35920 -35920 5.7767 -7.878 0.02604 3.7371e+05 2024-05-18 21:34:06,371 INFO [main.py:798]
{rank 0/64} MD step = 197100 step time: 00:00:00.330928 Performance: 35.158 ns/day 0.683 hours/ns 2.035 steps/s 2024-05-18 21:34:17,898 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197100 39420 70.765 -28363 7756 -36119 -36119 5.7808 -7.8821 0.027068 3.7388e+05 2024-05-18 21:34:52,395 INFO [main.py:798]
{rank 0/64} MD step = 197200 step time: 00:00:00.343973 Performance: 35.159 ns/day 0.683 hours/ns 2.035 steps/s 2024-05-18 21:35:07,524 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197200 39440 70.533 -28500 7730.5 -36231 -36231 5.7842 -7.8877 0.02653 3.7406e+05 2024-05-18 21:35:41,803 INFO [main.py:798]
{rank 0/64} MD step = 197300 step time: 00:00:00.349424 Performance: 35.159 ns/day 0.683 hours/ns 2.035 steps/s 2024-05-18 21:35:54,624 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197300 39460 69.013 -28546 7563.9 -36110 -36110 5.7863 -7.8911 0.027868 3.7427e+05 2024-05-18 21:36:28,778 INFO [main.py:798]
{rank 0/64} MD step = 197400 step time: 00:00:00.347421 Performance: 35.160 ns/day 0.683 hours/ns 2.035 steps/s 2024-05-18 21:36:41,238 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197400 39480 69.826 -28354 7653.1 -36007 -36007 5.7888 -7.8933 0.026411 3.7447e+05 2024-05-18 21:37:15,622 INFO [main.py:798]
{rank 0/64} MD step = 197500 step time: 00:00:00.332662 Performance: 35.160 ns/day 0.683 hours/ns 2.035 steps/s 2024-05-18 21:37:36,352 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197500 39500 70.159 -28457 7689.5 -36147 -36147 5.7934 -7.898 0.025868 3.7462e+05 2024-05-18 21:38:10,533 INFO [main.py:798]
{rank 0/64} MD step = 197600 step time: 00:00:00.351999 Performance: 35.158 ns/day 0.683 hours/ns 2.035 steps/s 2024-05-18 21:38:22,721 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197600 39520 71.032 -28412 7785.1 -36197 -36197 5.7975 -7.901 0.026973 3.7481e+05 2024-05-18 21:38:56,484 INFO [main.py:798]
{rank 0/64} MD step = 197700 step time: 00:00:00.351033 Performance: 35.159 ns/day 0.683 hours/ns 2.035 steps/s 2024-05-18 21:39:13,318 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197700 39540 70.049 -28504 7677.4 -36181 -36181 5.802 -7.9028 0.026935 3.7504e+05 2024-05-18 21:39:47,779 INFO [main.py:798]
{rank 0/64} MD step = 197800 step time: 00:00:00.333268 Performance: 35.159 ns/day 0.683 hours/ns 2.035 steps/s 2024-05-18 21:39:58,960 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197800 39560 69.525 -28463 7620 -36083 -36083 5.8039 -7.9068 0.025201 3.752e+05 2024-05-18 21:40:33,413 INFO [main.py:798]
{rank 0/64} MD step = 197900 step time: 00:00:00.344098 Performance: 35.160 ns/day 0.683 hours/ns 2.035 steps/s 2024-05-18 21:40:41,421 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197900 39580 70.181 -28578 7691.9 -36270 -36270 5.8077 -7.91 0.025735 3.7538e+05 2024-05-18 21:41:15,487 INFO [main.py:798]
{rank 0/64} MD step = 198000 step time: 00:00:00.332967 Performance: 35.162 ns/day 0.683 hours/ns 2.035 steps/s 2024-05-18 21:41:23,413 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 198000 39600 69.741 -28457 7643.7 -36100 -36100 5.8102 -7.9132 0.026544 3.7561e+05 2024-05-18 21:41:59,130 INFO [main.py:798]
{rank 0/64} MD step = 198100 step time: 00:00:00.366181 Performance: 35.164 ns/day 0.683 hours/ns 2.035 steps/s 2024-05-18 21:42:12,521 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 198100 39620 69.645 -28620 7633.1 -36253 -36253 5.8113 -7.9154 0.026802 3.758e+05 2024-05-18 21:42:46,251 INFO [main.py:798]
{rank 0/64} MD step = 198200 step time: 00:00:00.337779 Performance: 35.165 ns/day 0.682 hours/ns 2.035 steps/s 2024-05-18 21:42:53,801 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 198200 39640 70.133 -28590 7686.7 -36277 -36277 5.8147 -7.9219 0.027316 3.7595e+05 2024-05-18 21:43:28,255 INFO [main.py:798]
{rank 0/64} MD step = 198300 step time: 00:00:00.334841 Performance: 35.168 ns/day 0.682 hours/ns 2.035 steps/s 2024-05-18 21:43:35,424 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 198300 39660 70.012 -28420 7673.4 -36093 -36093 5.8175 -7.9257 0.027925 3.7617e+05 2024-05-18 21:44:09,397 INFO [main.py:798]
{rank 0/64} MD step = 198400 step time: 00:00:00.326873 Performance: 35.171 ns/day 0.682 hours/ns 2.035 steps/s 2024-05-18 21:44:17,068 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 198400 39680 70.951 -28342 7776.3 -36118 -36118 5.8194 -7.9298 0.027621 3.7635e+05 2024-05-18 21:44:50,226 INFO [main.py:798]
{rank 0/64} MD step = 198500 step time: 00:00:00.347098 Performance: 35.174 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-18 21:45:01,247 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 198500 39700 69.615 -28505 7629.9 -36135 -36135 5.8231 -7.9325 0.028192 3.7653e+05 2024-05-18 21:45:35,275 INFO [main.py:798]
{rank 0/64} MD step = 198600 step time: 00:00:00.374861 Performance: 35.175 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-18 21:45:43,155 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 198600 39720 70.683 -28385 7746.9 -36132 -36132 5.827 -7.9358 0.028192 3.7671e+05 2024-05-18 21:46:17,289 INFO [main.py:798]
{rank 0/64} MD step = 198700 step time: 00:00:00.333618 Performance: 35.178 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-18 21:46:28,946 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 198700 39740 69.951 -28580 7666.7 -36246 -36246 5.8312 -7.9396 0.026821 3.7685e+05 2024-05-18 21:47:03,208 INFO [main.py:798]
{rank 0/64} MD step = 198800 step time: 00:00:00.335936 Performance: 35.179 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-18 21:47:14,143 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 198800 39760 70.599 -28529 7737.7 -36267 -36267 5.8346 -7.9431 0.025792 3.7705e+05 2024-05-18 21:47:48,389 INFO [main.py:798]
{rank 0/64} MD step = 198900 step time: 00:00:00.342413 Performance: 35.180 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-18 21:47:57,008 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 198900 39780 69.852 -28535 7655.9 -36191 -36191 5.8376 -7.948 0.027316 3.7725e+05 2024-05-18 21:48:31,509 INFO [main.py:798]
{rank 0/64} MD step = 199000 step time: 00:00:00.351644 Performance: 35.182 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-18 21:48:43,364 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199000 39800 70.919 -28470 7772.8 -36243 -36243 5.8412 -7.9506 0.026135 3.7743e+05 2024-05-18 21:49:17,412 INFO [main.py:798]
{rank 0/64} MD step = 199100 step time: 00:00:00.342590 Performance: 35.184 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-18 21:49:29,138 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199100 39820 68.669 -28661 7526.3 -36188 -36188 5.8447 -7.9549 0.027544 3.7763e+05 2024-05-18 21:50:03,128 INFO [main.py:798]
{rank 0/64} MD step = 199200 step time: 00:00:00.348479 Performance: 35.185 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-18 21:50:16,521 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199200 39840 70.217 -28325 7695.9 -36020 -36020 5.8462 -7.9597 0.026287 3.7787e+05 2024-05-18 21:50:51,027 INFO [main.py:798]
{rank 0/64} MD step = 199300 step time: 00:00:00.328074 Performance: 35.185 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-18 21:51:00,386 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199300 39860 70.499 -28312 7726.7 -36039 -36039 5.8497 -7.9624 0.027583 3.7806e+05 2024-05-18 21:51:34,238 INFO [main.py:798]
{rank 0/64} MD step = 199400 step time: 00:00:00.328659 Performance: 35.187 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-18 21:51:46,477 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199400 39880 69.381 -28322 7604.2 -35927 -35927 5.8522 -7.9679 0.027763 3.7827e+05 2024-05-18 21:52:20,777 INFO [main.py:798]
{rank 0/64} MD step = 199500 step time: 00:00:00.339323 Performance: 35.188 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-18 21:52:34,733 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199500 39900 70.985 -28190 7780 -35970 -35970 5.8549 -7.9712 0.028278 3.7848e+05 2024-05-18 21:53:09,073 INFO [main.py:798]
{rank 0/64} MD step = 199600 step time: 00:00:00.349754 Performance: 35.189 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-18 21:53:18,433 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199600 39920 69.497 -28356 7617 -35973 -35973 5.8558 -7.9755 0.030173 3.7868e+05 2024-05-18 21:53:53,411 INFO [main.py:798]
{rank 0/64} MD step = 199700 step time: 00:00:00.347866 Performance: 35.190 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-18 21:54:05,370 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199700 39940 70.6 -28318 7737.8 -36056 -36056 5.8593 -7.9793 0.029106 3.7882e+05 2024-05-18 21:54:39,976 INFO [main.py:798]
{rank 0/64} MD step = 199800 step time: 00:00:00.352455 Performance: 35.191 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-18 21:54:52,271 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199800 39960 71.171 -28196 7800.5 -35997 -35997 5.8615 -7.9839 0.028144 3.7903e+05 2024-05-18 21:55:26,188 INFO [main.py:798]
{rank 0/64} MD step = 199900 step time: 00:00:00.338376 Performance: 35.192 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-18 21:55:39,236 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199900 39980 69.974 -28417 7669.3 -36086 -36086 5.8665 -7.989 0.027249 3.7921e+05 2024-05-18 21:56:15,748 INFO [main.py:798]
{rank 0/64} MD step = 200000 step time: 00:00:00.377202 Performance: 35.192 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-18 21:56:22,840 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200000 40000 70.185 -28271 7692.4 -35963 -35963 5.8678 -7.9928 0.028344 3.794e+05 2024-05-18 21:56:57,233 INFO [main.py:798]
{rank 0/64} MD step = 200100 step time: 00:00:00.351503 Performance: 35.195 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-18 21:57:06,314 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200100 40020 69.817 -28436 7652.1 -36088 -36088 5.8704 -7.9969 0.027221 3.7959e+05 2024-05-18 21:57:40,454 INFO [main.py:798]
{rank 0/64} MD step = 200200 step time: 00:00:00.338186 Performance: 35.197 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-18 21:57:49,040 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200200 40040 71.424 -28365 7828.2 -36193 -36193 5.8737 -8.0024 0.027997 3.7974e+05 2024-05-18 21:58:22,894 INFO [main.py:798]
{rank 0/64} MD step = 200300 step time: 00:00:00.327998 Performance: 35.199 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-18 21:58:32,329 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200300 40060 70.525 -28454 7729.6 -36184 -36184 5.8766 -8.0077 0.028016 3.7992e+05 2024-05-18 21:59:06,829 INFO [main.py:798]
{rank 0/64} MD step = 200400 step time: 00:00:00.350559 Performance: 35.201 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-18 21:59:16,747 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200400 40080 68.796 -28466 7540.1 -36006 -36006 5.8789 -8.0104 0.029964 3.8016e+05 2024-05-18 21:59:51,557 INFO [main.py:798]
{rank 0/64} MD step = 200500 step time: 00:00:00.327704 Performance: 35.203 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-18 22:00:11,040 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200500 40100 69.979 -28381 7669.8 -36051 -36051 5.8823 -8.0141 0.031268 3.8033e+05 2024-05-18 22:00:45,130 INFO [main.py:798]
{rank 0/64} MD step = 200600 step time: 00:00:00.354344 Performance: 35.201 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-18 22:01:17,132 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200600 40120 70.547 -28224 7732 -35956 -35956 5.8859 -8.0185 0.031345 3.8055e+05 2024-05-18 22:01:52,117 INFO [main.py:798]
{rank 0/64} MD step = 200700 step time: 00:00:00.325814 Performance: 35.195 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-18 22:02:08,399 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200700 40140 69.583 -28604 7626.4 -36231 -36231 5.8909 -8.0224 0.03143 3.8074e+05 2024-05-18 22:02:43,461 INFO [main.py:798]
{rank 0/64} MD step = 200800 step time: 00:00:00.328683 Performance: 35.194 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-18 22:02:58,359 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200800 40160 69.545 -28707 7622.2 -36329 -36329 5.8931 -8.0254 0.03303 3.809e+05 2024-05-18 22:03:32,754 INFO [main.py:798]
{rank 0/64} MD step = 200900 step time: 00:00:00.328111 Performance: 35.194 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-18 22:03:46,534 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200900 40180 70.509 -28433 7727.9 -36161 -36161 5.8948 -8.0315 0.033564 3.8108e+05 2024-05-18 22:04:22,846 INFO [main.py:798]
{rank 0/64} MD step = 201000 step time: 00:00:00.328782 Performance: 35.193 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-18 22:04:35,077 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 201000 40200 70.244 -28358 7698.8 -36056 -36056 5.895 -8.0359 0.032573 3.8129e+05 2024-05-18 22:05:09,083 INFO [main.py:798]
{rank 0/64} MD step = 201100 step time: 00:00:00.354770 Performance: 35.194 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-18 22:05:22,666 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 201100 40220 70.885 -28486 7769.1 -36255 -36255 5.8986 -8.0394 0.032916 3.8145e+05 2024-05-18 22:05:57,179 INFO [main.py:798]
{rank 0/64} MD step = 201200 step time: 00:00:00.350414 Performance: 35.195 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-18 22:06:10,524 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 201200 40240 69.03 -28567 7565.8 -36132 -36132 5.903 -8.0423 0.03385 3.8163e+05 2024-05-18 22:06:44,812 INFO [main.py:798]
{rank 0/64} MD step = 201300 step time: 00:00:00.358523 Performance: 35.195 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-18 22:06:55,502 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 201300 40260 70.588 -28211 7736.5 -35948 -35948 5.9075 -8.0463 0.031307 3.8188e+05 2024-05-18 22:07:29,624 INFO [main.py:798]
{rank 0/64} MD step = 201400 step time: 00:00:00.358654 Performance: 35.197 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-18 22:07:40,517 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 201400 40280 69.839 -28455 7654.4 -36110 -36110 5.9115 -8.05 0.029725 3.8206e+05 2024-05-18 22:08:14,751 INFO [main.py:798]
{rank 0/64} MD step = 201500 step time: 00:00:00.357623 Performance: 35.198 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-18 22:08:30,054 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 201500 40300 69.832 -28559 7653.6 -36212 -36212 5.9134 -8.0528 0.030706 3.8224e+05 2024-05-18 22:09:04,293 INFO [main.py:798]
{rank 0/64} MD step = 201600 step time: 00:00:00.351912 Performance: 35.198 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-18 22:09:12,601 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 201600 40320 69.566 -28325 7624.5 -35950 -35950 5.9166 -8.057 0.032068 3.8244e+05 2024-05-18 22:09:46,988 INFO [main.py:798]
{rank 0/64} MD step = 201700 step time: 00:00:00.349260 Performance: 35.200 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-18 22:09:54,483 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 201700 40340 70.284 -28520 7703.2 -36223 -36223 5.9197 -8.0612 0.032383 3.8261e+05 2024-05-18 22:10:29,261 INFO [main.py:798]
{rank 0/64} MD step = 201800 step time: 00:00:00.350175 Performance: 35.203 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-18 22:10:36,210 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 201800 40360 69.333 -28563 7599 -36162 -36162 5.9222 -8.0642 0.031735 3.8282e+05 2024-05-18 22:11:11,082 INFO [main.py:798]
{rank 0/64} MD step = 201900 step time: 00:00:00.355152 Performance: 35.205 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-18 22:11:16,667 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 201900 40380 70.464 -28392 7722.9 -36114 -36114 5.9251 -8.0676 0.031297 3.8301e+05 2024-05-18 22:11:51,229 INFO [main.py:798]
{rank 0/64} MD step = 202000 step time: 00:00:00.351171 Performance: 35.209 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-18 22:11:58,058 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 202000 40400 70.644 -28384 7742.7 -36126 -36126 5.928 -8.0703 0.03084 3.8318e+05 2024-05-18 22:12:32,294 INFO [main.py:798]
{rank 0/64} MD step = 202100 step time: 00:00:00.353472 Performance: 35.211 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-18 22:12:38,802 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 202100 40420 69.69 -28438 7638.1 -36076 -36076 5.9334 -8.074 0.031297 3.8339e+05 2024-05-18 22:13:12,808 INFO [main.py:798]
{rank 0/64} MD step = 202200 step time: 00:00:00.338147 Performance: 35.214 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-18 22:13:26,764 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 202200 40440 69.863 -28353 7657.1 -36011 -36011 5.9387 -8.0769 0.031802 3.8356e+05 2024-05-18 22:14:01,556 INFO [main.py:798]
{rank 0/64} MD step = 202300 step time: 00:00:00.347902 Performance: 35.215 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-18 22:14:10,888 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 202300 40460 70.578 -28432 7735.5 -36168 -36168 5.9418 -8.0806 0.031459 3.8373e+05 2024-05-18 22:14:45,685 INFO [main.py:798]
{rank 0/64} MD step = 202400 step time: 00:00:00.350942 Performance: 35.216 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-18 22:14:52,690 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 202400 40480 71.402 -28373 7825.7 -36198 -36198 5.9458 -8.0852 0.030726 3.8389e+05 2024-05-18 22:15:27,111 INFO [main.py:798]
{rank 0/64} MD step = 202500 step time: 00:00:00.348738 Performance: 35.219 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-18 22:15:33,962 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 202500 40500 69.924 -28344 7663.7 -36008 -36008 5.9496 -8.0882 0.029935 3.841e+05 2024-05-18 22:16:08,671 INFO [main.py:798]
{rank 0/64} MD step = 202600 step time: 00:00:00.362678 Performance: 35.222 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-18 22:16:14,522 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 202600 40520 70.491 -28374 7726 -36100 -36100 5.9526 -8.0925 0.031316 3.843e+05 2024-05-18 22:16:49,082 INFO [main.py:798]
{rank 0/64} MD step = 202700 step time: 00:00:00.351827 Performance: 35.225 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-18 22:16:57,032 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 202700 40540 69.699 -28587 7639.1 -36226 -36226 5.9549 -8.097 0.032478 3.8445e+05 2024-05-18 22:17:30,663 INFO [main.py:798]
{rank 0/64} MD step = 202800 step time: 00:00:00.339520 Performance: 35.227 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-18 22:17:36,255 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 202800 40560 69.124 -28649 7576 -36225 -36225 5.9571 -8.1011 0.031964 3.8465e+05 2024-05-18 22:18:10,543 INFO [main.py:798]
{rank 0/64} MD step = 202900 step time: 00:00:00.348170 Performance: 35.231 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-18 22:18:17,601 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 202900 40580 70.27 -28365 7701.7 -36066 -36066 5.9604 -8.1039 0.032564 3.8486e+05 2024-05-18 22:18:51,492 INFO [main.py:798]
{rank 0/64} MD step = 203000 step time: 00:00:00.347414 Performance: 35.234 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-18 22:18:58,704 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 203000 40600 70.316 -28353 7706.7 -36060 -36060 5.9649 -8.1075 0.032602 3.8503e+05 2024-05-18 22:19:32,711 INFO [main.py:798]
{rank 0/64} MD step = 203100 step time: 00:00:00.332309 Performance: 35.236 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-18 22:19:59,951 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 203100 40620 70.938 -28363 7774.9 -36138 -36138 5.9664 -8.1111 0.033607 3.8521e+05 2024-05-18 22:20:34,312 INFO [main.py:798]
{rank 0/64} MD step = 203200 step time: 00:00:00.349873 Performance: 35.232 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-18 22:20:43,352 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 203200 40640 70.817 -28409 7761.6 -36170 -36170 5.9687 -8.1147 0.03223 3.8541e+05 2024-05-18 22:21:19,487 INFO [main.py:798]
{rank 0/64} MD step = 203300 step time: 00:00:00.368464 Performance: 35.233 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-18 22:21:27,432 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 203300 40660 69.268 -28466 7591.9 -36058 -36058 5.9719 -8.1195 0.03204 3.8561e+05 2024-05-18 22:22:01,443 INFO [main.py:798]
{rank 0/64} MD step = 203400 step time: 00:00:00.345329 Performance: 35.236 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-18 22:22:08,721 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 203400 40680 69.479 -28511 7615 -36126 -36126 5.9743 -8.1237 0.03184 3.8577e+05 2024-05-18 22:22:44,787 INFO [main.py:798]
{rank 0/64} MD step = 203500 step time: 00:00:00.382970 Performance: 35.238 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-18 22:22:52,563 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 203500 40700 70.281 -28378 7702.9 -36081 -36081 5.9766 -8.1291 0.032268 3.8597e+05 2024-05-18 22:23:26,410 INFO [main.py:798]
{rank 0/64} MD step = 203600 step time: 00:00:00.338966 Performance: 35.240 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-18 22:23:36,165 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 203600 40720 70.245 -28439 7699 -36138 -36138 5.9801 -8.133 0.032049 3.8616e+05 2024-05-18 22:24:10,385 INFO [main.py:798]
{rank 0/64} MD step = 203700 step time: 00:00:00.351333 Performance: 35.242 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-18 22:24:20,432 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 203700 40740 69.89 -28467 7660 -36127 -36127 5.9845 -8.1374 0.031916 3.8632e+05 2024-05-18 22:24:54,601 INFO [main.py:798]
{rank 0/64} MD step = 203800 step time: 00:00:00.338265 Performance: 35.244 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-18 22:25:05,305 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 203800 40760 70.106 -28461 7683.7 -36144 -36144 5.9894 -8.1408 0.031849 3.8651e+05 2024-05-18 22:25:39,507 INFO [main.py:798]
{rank 0/64} MD step = 203900 step time: 00:00:00.344714 Performance: 35.245 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-18 22:25:46,595 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 203900 40780 70.784 -28290 7758.1 -36048 -36048 5.9956 -8.1442 0.030873 3.8671e+05 2024-05-18 22:26:20,812 INFO [main.py:798]
{rank 0/64} MD step = 204000 step time: 00:00:00.346137 Performance: 35.248 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-18 22:26:27,761 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204000 40800 70.838 -28332 7763.9 -36096 -36096 5.9997 -8.1489 0.031278 3.8685e+05 2024-05-18 22:27:02,554 INFO [main.py:798]
{rank 0/64} MD step = 204100 step time: 00:00:00.357102 Performance: 35.251 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-18 22:27:18,006 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204100 40820 69.689 -28438 7638 -36076 -36076 6.0044 -8.1528 0.030573 3.8709e+05 2024-05-18 22:27:52,363 INFO [main.py:798]
{rank 0/64} MD step = 204200 step time: 00:00:00.348175 Performance: 35.250 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-18 22:28:03,213 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204200 40840 69.876 -28427 7658.4 -36085 -36085 6.0076 -8.1585 0.031354 3.873e+05 2024-05-18 22:28:37,645 INFO [main.py:798]
{rank 0/64} MD step = 204300 step time: 00:00:00.349170 Performance: 35.252 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-18 22:28:56,875 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204300 40860 69.658 -28494 7634.6 -36128 -36128 6.0111 -8.1622 0.03044 3.8749e+05 2024-05-18 22:29:31,029 INFO [main.py:798]
{rank 0/64} MD step = 204400 step time: 00:00:00.326836 Performance: 35.250 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-18 22:29:39,509 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204400 40880 70.668 -28382 7745.3 -36127 -36127 6.0143 -8.1657 0.029621 3.8769e+05 2024-05-18 22:30:13,911 INFO [main.py:798]
{rank 0/64} MD step = 204500 step time: 00:00:00.326583 Performance: 35.252 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-18 22:30:33,200 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204500 40900 71.327 -28257 7817.6 -36075 -36075 6.0191 -8.1698 0.029354 3.8787e+05 2024-05-18 22:31:07,756 INFO [main.py:798]
{rank 0/64} MD step = 204600 step time: 00:00:00.354057 Performance: 35.251 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-18 22:31:13,477 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204600 40920 70.336 -28197 7708.9 -35905 -35905 6.0227 -8.1749 0.029945 3.8809e+05 2024-05-18 22:31:50,506 INFO [main.py:798]
{rank 0/64} MD step = 204700 step time: 00:00:00.346511 Performance: 35.253 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-18 22:32:02,788 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204700 40940 70.222 -28257 7696.4 -35954 -35954 6.0251 -8.1789 0.031392 3.8828e+05 2024-05-18 22:32:38,059 INFO [main.py:798]
{rank 0/64} MD step = 204800 step time: 00:00:00.349514 Performance: 35.253 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-18 22:32:52,306 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204800 40960 70.19 -28492 7692.9 -36185 -36185 6.0278 -8.1833 0.03204 3.8843e+05 2024-05-18 22:33:26,994 INFO [main.py:798]
{rank 0/64} MD step = 204900 step time: 00:00:00.352658 Performance: 35.253 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-18 22:33:42,120 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204900 40980 71.042 -28409 7786.3 -36196 -36196 6.0322 -8.1864 0.031059 3.8861e+05 2024-05-18 22:34:15,889 INFO [main.py:798]
{rank 0/64} MD step = 205000 step time: 00:00:00.344550 Performance: 35.253 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-18 22:34:29,141 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205000 41000 70.327 -28492 7707.9 -36200 -36200 6.037 -8.1903 0.03103 3.8881e+05 2024-05-18 22:35:06,860 INFO [main.py:798]
{rank 0/64} MD step = 205100 step time: 00:00:00.374314 Performance: 35.253 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-18 22:35:14,329 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205100 41020 69.517 -28282 7619.2 -35901 -35901 6.0406 -8.1952 0.030897 3.8905e+05 2024-05-18 22:35:49,522 INFO [main.py:798]
{rank 0/64} MD step = 205200 step time: 00:00:00.361448 Performance: 35.255 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-18 22:35:57,203 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205200 41040 70.832 -28229 7763.2 -35992 -35992 6.0442 -8.2013 0.029773 3.8922e+05 2024-05-18 22:36:31,647 INFO [main.py:798]
{rank 0/64} MD step = 205300 step time: 00:00:00.339113 Performance: 35.257 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-18 22:36:38,896 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205300 41060 69.773 -28503 7647.2 -36151 -36151 6.0453 -8.2049 0.029849 3.8942e+05 2024-05-18 22:37:13,255 INFO [main.py:798]
{rank 0/64} MD step = 205400 step time: 00:00:00.351784 Performance: 35.260 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-18 22:37:21,016 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205400 41080 68.637 -28552 7522.7 -36075 -36075 6.048 -8.2099 0.030459 3.8961e+05 2024-05-18 22:37:55,921 INFO [main.py:798]
{rank 0/64} MD step = 205500 step time: 00:00:00.351369 Performance: 35.262 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-18 22:38:03,438 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205500 41100 69.757 -28530 7645.4 -36175 -36175 6.0533 -8.2174 0.031583 3.8977e+05 2024-05-18 22:38:38,165 INFO [main.py:798]
{rank 0/64} MD step = 205600 step time: 00:00:00.351025 Performance: 35.264 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-18 22:38:45,053 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205600 41120 69.722 -28558 7641.6 -36200 -36200 6.0566 -8.22 0.02983 3.8993e+05 2024-05-18 22:39:19,138 INFO [main.py:798]
{rank 0/64} MD step = 205700 step time: 00:00:00.348013 Performance: 35.267 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-18 22:39:27,323 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205700 41140 71.116 -28191 7794.5 -35985 -35985 6.0597 -8.2242 0.028649 3.9016e+05 2024-05-18 22:40:01,474 INFO [main.py:798]
{rank 0/64} MD step = 205800 step time: 00:00:00.329358 Performance: 35.270 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-18 22:40:10,163 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205800 41160 70.272 -28278 7701.9 -35980 -35980 6.0642 -8.2289 0.027697 3.9037e+05 2024-05-18 22:40:44,207 INFO [main.py:798]
{rank 0/64} MD step = 205900 step time: 00:00:00.333409 Performance: 35.272 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-18 22:40:55,034 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205900 41180 70.338 -28360 7709.2 -36069 -36069 6.0656 -8.2323 0.028687 3.9056e+05 2024-05-18 22:41:29,648 INFO [main.py:798]
{rank 0/64} MD step = 206000 step time: 00:00:00.348919 Performance: 35.273 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-18 22:41:40,236 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 206000 41200 69.936 -28355 7665 -36020 -36020 6.0685 -8.2374 0.029335 3.9074e+05 2024-05-18 22:42:15,005 INFO [main.py:798]
{rank 0/64} MD step = 206100 step time: 00:00:00.356227 Performance: 35.274 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-18 22:42:30,545 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 206100 41220 69.962 -28375 7667.9 -36043 -36043 6.0741 -8.2417 0.027506 3.9091e+05 2024-05-18 22:43:04,715 INFO [main.py:798]
{rank 0/64} MD step = 206200 step time: 00:00:00.351897 Performance: 35.274 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-18 22:43:12,015 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 206200 41240 69.421 -28422 7608.6 -36031 -36031 6.079 -8.2459 0.02803 3.9108e+05 2024-05-18 22:43:46,868 INFO [main.py:798]
{rank 0/64} MD step = 206300 step time: 00:00:00.345036 Performance: 35.276 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-18 22:43:55,798 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 206300 41260 69.103 -28505 7573.8 -36079 -36079 6.0832 -8.2501 0.029125 3.9125e+05 2024-05-18 22:44:30,235 INFO [main.py:798]
{rank 0/64} MD step = 206400 step time: 00:00:00.348372 Performance: 35.278 ns/day 0.680 hours/ns 2.042 steps/s 2024-05-18 22:44:52,059 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 206400 41280 69.625 -28441 7631 -36072 -36072 6.0855 -8.2538 0.028592 3.9144e+05 2024-05-18 22:45:27,348 INFO [main.py:798]
{rank 0/64} MD step = 206500 step time: 00:00:00.325016 Performance: 35.276 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-18 22:45:44,365 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 206500 41300 70.786 -28390 7758.3 -36149 -36149 6.0864 -8.2575 0.029545 3.9163e+05 2024-05-18 22:46:18,151 INFO [main.py:798]
{rank 0/64} MD step = 206600 step time: 00:00:00.339290 Performance: 35.275 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-18 22:46:34,237 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 206600 41320 69.777 -28419 7647.7 -36066 -36066 6.0901 -8.263 0.030592 3.9182e+05 2024-05-18 22:47:09,059 INFO [main.py:798]
{rank 0/64} MD step = 206700 step time: 00:00:00.344141 Performance: 35.274 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-18 22:47:16,894 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 206700 41340 70.562 -28400 7733.6 -36134 -36134 6.0952 -8.2662 0.030497 3.9199e+05 2024-05-18 22:47:51,032 INFO [main.py:798]
{rank 0/64} MD step = 206800 step time: 00:00:00.373553 Performance: 35.277 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-18 22:48:06,502 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 206800 41360 69.28 -28444 7593.1 -36037 -36037 6.0989 -8.2699 0.030859 3.9216e+05 2024-05-18 22:48:40,758 INFO [main.py:798]
{rank 0/64} MD step = 206900 step time: 00:00:00.346029 Performance: 35.276 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-18 22:48:51,138 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 206900 41380 68.865 -28512 7547.6 -36059 -36059 6.102 -8.2737 0.03243 3.9233e+05 2024-05-18 22:49:24,648 INFO [main.py:798]
{rank 0/64} MD step = 207000 step time: 00:00:00.327422 Performance: 35.278 ns/day 0.680 hours/ns 2.042 steps/s 2024-05-18 22:49:35,232 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 207000 41400 69.497 -28417 7616.9 -36034 -36034 6.1047 -8.2792 0.033802 3.9255e+05 2024-05-18 22:50:09,850 INFO [main.py:798]
{rank 0/64} MD step = 207100 step time: 00:00:00.326645 Performance: 35.280 ns/day 0.680 hours/ns 2.042 steps/s 2024-05-18 22:50:18,542 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 207100 41420 69.871 -28267 7657.9 -35925 -35925 6.1086 -8.2857 0.035735 3.9275e+05 2024-05-18 22:50:52,491 INFO [main.py:798]
{rank 0/64} MD step = 207200 step time: 00:00:00.326706 Performance: 35.282 ns/day 0.680 hours/ns 2.042 steps/s 2024-05-18 22:51:02,142 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 207200 41440 69.508 -28528 7618.1 -36147 -36147 6.1154 -8.2917 0.037145 3.9289e+05 2024-05-18 22:51:36,471 INFO [main.py:798]
{rank 0/64} MD step = 207300 step time: 00:00:00.327360 Performance: 35.283 ns/day 0.680 hours/ns 2.042 steps/s 2024-05-18 22:51:46,264 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 207300 41460 70.298 -28301 7704.7 -36006 -36006 6.12 -8.297 0.037888 3.931e+05 2024-05-18 22:52:20,840 INFO [main.py:798]
{rank 0/64} MD step = 207400 step time: 00:00:00.328905 Performance: 35.285 ns/day 0.680 hours/ns 2.042 steps/s 2024-05-18 22:52:28,534 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 207400 41480 70.823 -28259 7762.3 -36022 -36022 6.1243 -8.3011 0.038974 3.9329e+05 2024-05-18 22:53:03,119 INFO [main.py:798]
{rank 0/64} MD step = 207500 step time: 00:00:00.329437 Performance: 35.287 ns/day 0.680 hours/ns 2.042 steps/s 2024-05-18 22:53:12,519 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 207500 41500 69.872 -28306 7658 -35964 -35964 6.1287 -8.3072 0.038469 3.9346e+05 2024-05-18 22:53:46,574 INFO [main.py:798]
{rank 0/64} MD step = 207600 step time: 00:00:00.351656 Performance: 35.289 ns/day 0.680 hours/ns 2.042 steps/s 2024-05-18 22:53:54,622 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 207600 41520 69.966 -28331 7668.4 -35999 -35999 6.1299 -8.3113 0.040688 3.9366e+05 2024-05-18 22:54:29,140 INFO [main.py:798]
{rank 0/64} MD step = 207700 step time: 00:00:00.329884 Performance: 35.292 ns/day 0.680 hours/ns 2.042 steps/s 2024-05-18 22:54:39,472 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 207700 41540 70.099 -28623 7683 -36306 -36306 6.1328 -8.3157 0.041793 3.9383e+05 2024-05-18 22:55:13,559 INFO [main.py:798]
{rank 0/64} MD step = 207800 step time: 00:00:00.351787 Performance: 35.293 ns/day 0.680 hours/ns 2.042 steps/s 2024-05-18 22:55:22,585 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 207800 41560 69.186 -28644 7582.9 -36226 -36226 6.1381 -8.3199 0.041931 3.94e+05 2024-05-18 22:55:56,989 INFO [main.py:798]
{rank 0/64} MD step = 207900 step time: 00:00:00.341424 Performance: 35.295 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-18 22:56:05,191 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 207900 41580 71.692 -28072 7857.6 -35929 -35929 6.1425 -8.325 0.040631 3.9423e+05 2024-05-18 22:56:39,720 INFO [main.py:798]
{rank 0/64} MD step = 208000 step time: 00:00:00.348439 Performance: 35.297 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-18 22:56:46,177 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 208000 41600 70.386 -28312 7714.4 -36026 -36026 6.1449 -8.3291 0.042117 3.9441e+05 2024-05-18 22:57:20,313 INFO [main.py:798]
{rank 0/64} MD step = 208100 step time: 00:00:00.358958 Performance: 35.300 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-18 22:57:28,254 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 208100 41620 69.599 -28415 7628.1 -36043 -36043 6.1489 -8.3346 0.042498 3.9466e+05 2024-05-18 22:58:02,765 INFO [main.py:798]
{rank 0/64} MD step = 208200 step time: 00:00:00.360521 Performance: 35.302 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-18 22:58:08,854 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 208200 41640 71.026 -28296 7784.6 -36081 -36081 6.154 -8.3399 0.041698 3.9483e+05 2024-05-18 22:58:44,187 INFO [main.py:798]
{rank 0/64} MD step = 208300 step time: 00:00:00.340543 Performance: 35.305 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-18 22:58:52,173 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 208300 41660 69.355 -28481 7601.3 -36082 -36082 6.1575 -8.3439 0.043317 3.9504e+05 2024-05-18 22:59:26,756 INFO [main.py:798]
{rank 0/64} MD step = 208400 step time: 00:00:00.350301 Performance: 35.307 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-18 22:59:32,208 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 208400 41680 70.938 -28094 7774.9 -35869 -35869 6.1622 -8.3491 0.045069 3.9525e+05 2024-05-18 23:00:09,232 INFO [main.py:798]
{rank 0/64} MD step = 208500 step time: 00:00:00.327470 Performance: 35.309 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-18 23:00:26,618 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 208500 41700 70.774 -28194 7756.9 -35951 -35951 6.164 -8.3529 0.044869 3.9541e+05 2024-05-18 23:01:01,700 INFO [main.py:798]
{rank 0/64} MD step = 208600 step time: 00:00:00.341578 Performance: 35.308 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-18 23:01:11,905 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 208600 41720 70.769 -28387 7756.4 -36143 -36143 6.1657 -8.3569 0.043412 3.9555e+05 2024-05-18 23:01:46,827 INFO [main.py:798]
{rank 0/64} MD step = 208700 step time: 00:00:00.366635 Performance: 35.309 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-18 23:01:58,828 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 208700 41740 69.468 -28550 7613.8 -36164 -36164 6.1684 -8.3614 0.044498 3.9573e+05 2024-05-18 23:02:33,404 INFO [main.py:798]
{rank 0/64} MD step = 208800 step time: 00:00:00.351401 Performance: 35.310 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-18 23:02:47,701 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 208800 41760 69.936 -28376 7665.1 -36041 -36041 6.172 -8.3658 0.044517 3.9594e+05 2024-05-18 23:03:22,290 INFO [main.py:798]
{rank 0/64} MD step = 208900 step time: 00:00:00.350044 Performance: 35.310 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-18 23:03:32,211 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 208900 41780 69.851 -28303 7655.8 -35959 -35959 6.1751 -8.3704 0.044183 3.9614e+05 2024-05-18 23:04:06,172 INFO [main.py:798]
{rank 0/64} MD step = 209000 step time: 00:00:00.345836 Performance: 35.312 ns/day 0.680 hours/ns 2.044 steps/s 2024-05-18 23:04:16,093 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209000 41800 70.075 -28151 7680.3 -35831 -35831 6.1773 -8.3742 0.044745 3.9638e+05 2024-05-18 23:04:49,617 INFO [main.py:798]
{rank 0/64} MD step = 209100 step time: 00:00:00.339556 Performance: 35.314 ns/day 0.680 hours/ns 2.044 steps/s 2024-05-18 23:05:00,880 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209100 41820 69.718 -28368 7641.2 -36009 -36009 6.1808 -8.3775 0.046193 3.9656e+05 2024-05-18 23:05:36,238 INFO [main.py:798]
{rank 0/64} MD step = 209200 step time: 00:00:00.349285 Performance: 35.315 ns/day 0.680 hours/ns 2.044 steps/s 2024-05-18 23:05:44,110 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209200 41840 70.088 -28230 7681.7 -35912 -35912 6.1867 -8.3811 0.046212 3.9674e+05 2024-05-18 23:06:19,469 INFO [main.py:798]
{rank 0/64} MD step = 209300 step time: 00:00:00.361474 Performance: 35.317 ns/day 0.680 hours/ns 2.044 steps/s 2024-05-18 23:06:32,250 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209300 41860 69.706 -28463 7639.9 -36103 -36103 6.189 -8.3841 0.045945 3.9691e+05 2024-05-18 23:07:06,568 INFO [main.py:798]
{rank 0/64} MD step = 209400 step time: 00:00:00.358728 Performance: 35.317 ns/day 0.680 hours/ns 2.044 steps/s 2024-05-18 23:07:25,886 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209400 41880 71.015 -28353 7783.4 -36136 -36136 6.1893 -8.3897 0.04725 3.9709e+05 2024-05-18 23:07:59,182 INFO [main.py:798]
{rank 0/64} MD step = 209500 step time: 00:00:00.343091 Performance: 35.316 ns/day 0.680 hours/ns 2.044 steps/s 2024-05-18 23:08:10,281 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209500 41900 70.233 -28474 7697.6 -36171 -36171 6.1926 -8.3952 0.047146 3.973e+05 2024-05-18 23:08:43,960 INFO [main.py:798]
{rank 0/64} MD step = 209600 step time: 00:00:00.327595 Performance: 35.318 ns/day 0.680 hours/ns 2.044 steps/s 2024-05-18 23:08:54,543 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209600 41920 68.774 -28500 7537.7 -36037 -36037 6.1946 -8.3999 0.047279 3.975e+05 2024-05-18 23:09:29,222 INFO [main.py:798]
{rank 0/64} MD step = 209700 step time: 00:00:00.348016 Performance: 35.319 ns/day 0.680 hours/ns 2.044 steps/s 2024-05-18 23:09:39,993 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209700 41940 68.105 -28606 7464.4 -36070 -36070 6.1974 -8.404 0.048784 3.9767e+05 2024-05-18 23:10:13,451 INFO [main.py:798]
{rank 0/64} MD step = 209800 step time: 00:00:00.352358 Performance: 35.320 ns/day 0.679 hours/ns 2.044 steps/s 2024-05-18 23:10:21,906 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209800 41960 71.009 -28281 7782.7 -36064 -36064 6.2018 -8.4089 0.050565 3.9786e+05 2024-05-18 23:10:56,248 INFO [main.py:798]
{rank 0/64} MD step = 209900 step time: 00:00:00.350455 Performance: 35.322 ns/day 0.679 hours/ns 2.044 steps/s 2024-05-18 23:11:09,888 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209900 41980 71.334 -28267 7818.3 -36085 -36085 6.2075 -8.4117 0.050727 3.9805e+05 2024-05-18 23:11:44,436 INFO [main.py:798]
{rank 0/64} MD step = 210000 step time: 00:00:00.356642 Performance: 35.323 ns/day 0.679 hours/ns 2.044 steps/s 2024-05-18 23:11:55,277 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210000 42000 70.164 -28504 7690.1 -36195 -36195 6.2097 -8.4145 0.049984 3.9821e+05 2024-05-18 23:12:29,566 INFO [main.py:798]
{rank 0/64} MD step = 210100 step time: 00:00:00.338308 Performance: 35.324 ns/day 0.679 hours/ns 2.044 steps/s 2024-05-18 23:12:42,822 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210100 42020 69.391 -28547 7605.3 -36153 -36153 6.2123 -8.4181 0.050522 3.9841e+05 2024-05-18 23:13:18,886 INFO [main.py:798]
{rank 0/64} MD step = 210200 step time: 00:00:00.369215 Performance: 35.324 ns/day 0.679 hours/ns 2.044 steps/s 2024-05-18 23:13:32,370 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210200 42040 68.761 -28485 7536.3 -36021 -36021 6.2161 -8.423 0.050898 3.9864e+05 2024-05-18 23:14:07,010 INFO [main.py:798]
{rank 0/64} MD step = 210300 step time: 00:00:00.358320 Performance: 35.324 ns/day 0.679 hours/ns 2.044 steps/s 2024-05-18 23:14:14,634 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210300 42060 70.009 -28362 7673.1 -36035 -36035 6.2187 -8.4277 0.052022 3.9886e+05 2024-05-18 23:14:49,300 INFO [main.py:798]
{rank 0/64} MD step = 210400 step time: 00:00:00.355976 Performance: 35.326 ns/day 0.679 hours/ns 2.044 steps/s 2024-05-18 23:14:58,003 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210400 42080 69.305 -28684 7595.9 -36280 -36280 6.22 -8.4324 0.054441 3.99e+05 2024-05-18 23:15:32,506 INFO [main.py:798]
{rank 0/64} MD step = 210500 step time: 00:00:00.342679 Performance: 35.328 ns/day 0.679 hours/ns 2.044 steps/s 2024-05-18 23:15:49,232 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210500 42100 71.21 -28334 7804.7 -36139 -36139 6.2254 -8.4377 0.054098 3.9921e+05 2024-05-18 23:16:24,066 INFO [main.py:798]
{rank 0/64} MD step = 210600 step time: 00:00:00.331555 Performance: 35.328 ns/day 0.679 hours/ns 2.044 steps/s 2024-05-18 23:16:31,114 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210600 42120 69.631 -28562 7631.6 -36193 -36193 6.2282 -8.4422 0.054341 3.9941e+05 2024-05-18 23:17:07,216 INFO [main.py:798]
{rank 0/64} MD step = 210700 step time: 00:00:00.335805 Performance: 35.329 ns/day 0.679 hours/ns 2.045 steps/s 2024-05-18 23:17:13,271 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210700 42140 69.482 -28490 7615.4 -36105 -36105 6.2325 -8.4454 0.054022 3.9962e+05 2024-05-18 23:17:47,290 INFO [main.py:798]
{rank 0/64} MD step = 210800 step time: 00:00:00.329491 Performance: 35.333 ns/day 0.679 hours/ns 2.045 steps/s 2024-05-18 23:17:53,046 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210800 42160 69.561 -28687 7624 -36310 -36310 6.2342 -8.4512 0.054689 3.9976e+05 2024-05-18 23:18:27,381 INFO [main.py:798]
{rank 0/64} MD step = 210900 step time: 00:00:00.326615 Performance: 35.336 ns/day 0.679 hours/ns 2.045 steps/s 2024-05-18 23:18:34,185 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210900 42180 70.748 -28450 7754 -36205 -36205 6.2375 -8.4557 0.054541 3.9999e+05 2024-05-18 23:19:07,898 INFO [main.py:798]
{rank 0/64} MD step = 211000 step time: 00:00:00.333613 Performance: 35.338 ns/day 0.679 hours/ns 2.045 steps/s 2024-05-18 23:19:16,343 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211000 42200 69.996 -28395 7671.6 -36067 -36067 6.2407 -8.4604 0.05407 4.0017e+05 2024-05-18 23:19:50,841 INFO [main.py:798]
{rank 0/64} MD step = 211100 step time: 00:00:00.332605 Performance: 35.340 ns/day 0.679 hours/ns 2.045 steps/s 2024-05-18 23:19:55,902 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211100 42220 70.325 -28379 7707.8 -36086 -36086 6.2429 -8.4662 0.054003 4.0033e+05 2024-05-18 23:20:32,243 INFO [main.py:798]
{rank 0/64} MD step = 211200 step time: 00:00:00.328141 Performance: 35.343 ns/day 0.679 hours/ns 2.045 steps/s 2024-05-18 23:20:38,743 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211200 42240 69.961 -28483 7667.8 -36150 -36150 6.2464 -8.47 0.053698 4.0053e+05 2024-05-18 23:21:13,403 INFO [main.py:798]
{rank 0/64} MD step = 211300 step time: 00:00:00.328143 Performance: 35.346 ns/day 0.679 hours/ns 2.045 steps/s 2024-05-18 23:21:19,497 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211300 42260 68.937 -28539 7555.6 -36095 -36095 6.2492 -8.4735 0.052536 4.0075e+05 2024-05-18 23:21:53,733 INFO [main.py:798]
{rank 0/64} MD step = 211400 step time: 00:00:00.330361 Performance: 35.349 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-18 23:22:02,508 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211400 42280 71.32 -28265 7816.7 -36081 -36081 6.2519 -8.4767 0.052593 4.0095e+05 2024-05-18 23:22:36,396 INFO [main.py:798]
{rank 0/64} MD step = 211500 step time: 00:00:00.343532 Performance: 35.351 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-18 23:22:43,342 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211500 42300 69.266 -28539 7591.7 -36131 -36131 6.2536 -8.4808 0.054813 4.0115e+05 2024-05-18 23:23:17,958 INFO [main.py:798]
{rank 0/64} MD step = 211600 step time: 00:00:00.351490 Performance: 35.353 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-18 23:23:23,979 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211600 42320 70.023 -28272 7674.6 -35946 -35946 6.2567 -8.4853 0.053508 4.0134e+05 2024-05-18 23:23:58,079 INFO [main.py:798]
{rank 0/64} MD step = 211700 step time: 00:00:00.340564 Performance: 35.356 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-18 23:24:04,441 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211700 42340 69.628 -28424 7631.4 -36055 -36055 6.2585 -8.4892 0.05466 4.0155e+05 2024-05-18 23:24:39,027 INFO [main.py:798]
{rank 0/64} MD step = 211800 step time: 00:00:00.355973 Performance: 35.359 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-18 23:24:45,921 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211800 42360 70.065 -28348 7679.2 -36028 -36028 6.2626 -8.4937 0.054898 4.0172e+05 2024-05-18 23:25:20,182 INFO [main.py:798]
{rank 0/64} MD step = 211900 step time: 00:00:00.339804 Performance: 35.362 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-18 23:25:27,219 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211900 42380 70.468 -28374 7723.4 -36097 -36097 6.2645 -8.4975 0.053822 4.0193e+05 2024-05-18 23:26:02,770 INFO [main.py:798]
{rank 0/64} MD step = 212000 step time: 00:00:00.371251 Performance: 35.364 ns/day 0.679 hours/ns 2.047 steps/s 2024-05-18 23:26:09,641 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212000 42400 69.783 -28611 7648.3 -36259 -36259 6.2688 -8.5018 0.053336 4.0204e+05 2024-05-18 23:26:43,295 INFO [main.py:798]
{rank 0/64} MD step = 212100 step time: 00:00:00.339531 Performance: 35.367 ns/day 0.679 hours/ns 2.047 steps/s 2024-05-18 23:26:49,949 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212100 42420 70.25 -28316 7699.5 -36016 -36016 6.2723 -8.5062 0.05227 4.0229e+05 2024-05-18 23:27:24,067 INFO [main.py:798]
{rank 0/64} MD step = 212200 step time: 00:00:00.346451 Performance: 35.369 ns/day 0.679 hours/ns 2.047 steps/s 2024-05-18 23:27:30,321 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212200 42440 70.324 -28101 7707.6 -35809 -35809 6.2751 -8.5112 0.053593 4.0249e+05 2024-05-18 23:28:04,189 INFO [main.py:798]
{rank 0/64} MD step = 212300 step time: 00:00:00.347313 Performance: 35.372 ns/day 0.678 hours/ns 2.047 steps/s 2024-05-18 23:28:11,346 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212300 42460 70.152 -28333 7688.8 -36022 -36022 6.2779 -8.516 0.055022 4.0267e+05 2024-05-18 23:28:46,799 INFO [main.py:798]
{rank 0/64} MD step = 212400 step time: 00:00:00.350242 Performance: 35.374 ns/day 0.678 hours/ns 2.047 steps/s 2024-05-18 23:28:53,316 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212400 42480 69.991 -28566 7671 -36237 -36237 6.2811 -8.5193 0.055432 4.0285e+05 2024-05-18 23:29:27,168 INFO [main.py:798]
{rank 0/64} MD step = 212500 step time: 00:00:00.350046 Performance: 35.377 ns/day 0.678 hours/ns 2.047 steps/s 2024-05-18 23:29:31,235 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212500 42500 70.288 -28298 7703.7 -36002 -36002 6.2845 -8.5232 0.05646 4.0304e+05 2024-05-18 23:30:07,192 INFO [main.py:798]
{rank 0/64} MD step = 212600 step time: 00:00:00.335185 Performance: 35.380 ns/day 0.678 hours/ns 2.047 steps/s 2024-05-18 23:30:14,795 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212600 42520 69.872 -28399 7658 -36057 -36057 6.288 -8.5277 0.055727 4.0323e+05 2024-05-18 23:30:49,439 INFO [main.py:798]
{rank 0/64} MD step = 212700 step time: 00:00:00.346848 Performance: 35.383 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-18 23:31:04,266 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212700 42540 69.564 -28234 7624.3 -35858 -35858 6.2908 -8.5318 0.057908 4.0345e+05 2024-05-18 23:31:42,578 INFO [main.py:798]
{rank 0/64} MD step = 212800 step time: 00:00:00.367950 Performance: 35.381 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-18 23:31:54,297 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212800 42560 69.854 -28461 7656.1 -36117 -36117 6.2929 -8.5344 0.059089 4.0361e+05 2024-05-18 23:32:28,882 INFO [main.py:798]
{rank 0/64} MD step = 212900 step time: 00:00:00.368642 Performance: 35.382 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-18 23:32:40,268 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212900 42580 68.772 -28532 7537.5 -36070 -36070 6.2963 -8.5383 0.059356 4.0379e+05 2024-05-18 23:33:14,872 INFO [main.py:798]
{rank 0/64} MD step = 213000 step time: 00:00:00.360406 Performance: 35.383 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-18 23:33:28,499 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 213000 42600 69.604 -28413 7628.7 -36042 -36042 6.2999 -8.5417 0.06147 4.0397e+05 2024-05-18 23:34:02,648 INFO [main.py:798]
{rank 0/64} MD step = 213100 step time: 00:00:00.348507 Performance: 35.383 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-18 23:34:16,024 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 213100 42620 69.742 -28371 7643.8 -36015 -36015 6.303 -8.5467 0.061975 4.0418e+05 2024-05-18 23:34:50,528 INFO [main.py:798]
{rank 0/64} MD step = 213200 step time: 00:00:00.325051 Performance: 35.384 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-18 23:35:00,435 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 213200 42640 70.314 -28173 7706.5 -35879 -35879 6.3047 -8.5502 0.061261 4.0441e+05 2024-05-18 23:35:34,674 INFO [main.py:798]
{rank 0/64} MD step = 213300 step time: 00:00:00.330982 Performance: 35.385 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-18 23:35:43,587 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 213300 42660 69.894 -28231 7660.5 -35892 -35892 6.3061 -8.5543 0.062175 4.0457e+05 2024-05-18 23:36:17,897 INFO [main.py:798]
{rank 0/64} MD step = 213400 step time: 00:00:00.353125 Performance: 35.387 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-18 23:36:38,042 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 213400 42680 69.918 -28301 7663.1 -35964 -35964 6.3081 -8.5578 0.063527 4.0476e+05 2024-05-18 23:37:11,839 INFO [main.py:798]
{rank 0/64} MD step = 213500 step time: 00:00:00.344161 Performance: 35.385 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-18 23:37:20,018 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 213500 42700 71.439 -28280 7829.8 -36110 -36110 6.3102 -8.5628 0.064994 4.0495e+05 2024-05-18 23:37:54,017 INFO [main.py:798]
{rank 0/64} MD step = 213600 step time: 00:00:00.340488 Performance: 35.388 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-18 23:38:00,182 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 213600 42720 70.801 -28259 7759.9 -36019 -36019 6.312 -8.5663 0.064766 4.0514e+05 2024-05-18 23:38:35,161 INFO [main.py:798]
{rank 0/64} MD step = 213700 step time: 00:00:00.338880 Performance: 35.390 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-18 23:38:44,280 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 213700 42740 69.51 -28260 7618.4 -35879 -35879 6.316 -8.5696 0.065194 4.0537e+05 2024-05-18 23:39:18,026 INFO [main.py:798]
{rank 0/64} MD step = 213800 step time: 00:00:00.325957 Performance: 35.392 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-18 23:39:26,962 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 213800 42760 69.873 -28408 7658.2 -36066 -36066 6.3195 -8.5739 0.066518 4.0554e+05 2024-05-18 23:40:00,769 INFO [main.py:798]
{rank 0/64} MD step = 213900 step time: 00:00:00.326604 Performance: 35.394 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-18 23:40:06,179 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 213900 42780 69.493 -28430 7616.5 -36046 -36046 6.3239 -8.5758 0.067318 4.0574e+05 2024-05-18 23:40:41,247 INFO [main.py:798]
{rank 0/64} MD step = 214000 step time: 00:00:00.360547 Performance: 35.397 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-18 23:40:46,362 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214000 42800 70.197 -28222 7693.6 -35916 -35916 6.3264 -8.5809 0.06848 4.0593e+05 2024-05-18 23:41:20,865 INFO [main.py:798]
{rank 0/64} MD step = 214100 step time: 00:00:00.343612 Performance: 35.400 ns/day 0.678 hours/ns 2.049 steps/s 2024-05-18 23:41:28,083 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214100 42820 68.894 -28438 7550.8 -35989 -35989 6.3295 -8.5846 0.069375 4.061e+05 2024-05-18 23:42:02,572 INFO [main.py:798]
{rank 0/64} MD step = 214200 step time: 00:00:00.351537 Performance: 35.403 ns/day 0.678 hours/ns 2.049 steps/s 2024-05-18 23:42:08,494 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214200 42840 70.354 -28183 7710.9 -35894 -35894 6.3328 -8.5886 0.068975 4.0632e+05 2024-05-18 23:42:42,866 INFO [main.py:798]
{rank 0/64} MD step = 214300 step time: 00:00:00.349053 Performance: 35.406 ns/day 0.678 hours/ns 2.049 steps/s 2024-05-18 23:42:49,759 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214300 42860 69.851 -28182 7655.7 -35838 -35838 6.3355 -8.5907 0.069785 4.065e+05 2024-05-18 23:43:24,070 INFO [main.py:798]
{rank 0/64} MD step = 214400 step time: 00:00:00.351352 Performance: 35.408 ns/day 0.678 hours/ns 2.049 steps/s 2024-05-18 23:43:30,061 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214400 42880 70.047 -28368 7677.3 -36045 -36045 6.3367 -8.595 0.069556 4.0668e+05 2024-05-18 23:44:04,268 INFO [main.py:798]
{rank 0/64} MD step = 214500 step time: 00:00:00.350262 Performance: 35.411 ns/day 0.678 hours/ns 2.049 steps/s 2024-05-18 23:44:12,986 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214500 42900 69.25 -28244 7589.9 -35834 -35834 6.3397 -8.5972 0.070518 4.0688e+05 2024-05-18 23:44:48,222 INFO [main.py:798]
{rank 0/64} MD step = 214600 step time: 00:00:00.371524 Performance: 35.413 ns/day 0.678 hours/ns 2.049 steps/s 2024-05-18 23:44:54,377 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214600 42920 69.908 -28297 7662 -35959 -35959 6.3416 -8.6001 0.070023 4.0707e+05 2024-05-18 23:45:28,200 INFO [main.py:798]
{rank 0/64} MD step = 214700 step time: 00:00:00.345074 Performance: 35.416 ns/day 0.678 hours/ns 2.050 steps/s 2024-05-18 23:45:34,064 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214700 42940 70.425 -28345 7718.7 -36064 -36064 6.3432 -8.6033 0.070061 4.0727e+05 2024-05-18 23:46:07,767 INFO [main.py:798]
{rank 0/64} MD step = 214800 step time: 00:00:00.352633 Performance: 35.419 ns/day 0.678 hours/ns 2.050 steps/s 2024-05-18 23:46:12,534 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214800 42960 70.102 -28383 7683.2 -36066 -36066 6.3469 -8.6066 0.070561 4.0745e+05 2024-05-18 23:46:48,549 INFO [main.py:798]
{rank 0/64} MD step = 214900 step time: 00:00:00.349675 Performance: 35.421 ns/day 0.678 hours/ns 2.050 steps/s 2024-05-18 23:46:54,829 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214900 42980 69.952 -28507 7666.8 -36174 -36174 6.3479 -8.61 0.070509 4.0765e+05 2024-05-18 23:47:29,502 INFO [main.py:798]
{rank 0/64} MD step = 215000 step time: 00:00:00.356396 Performance: 35.424 ns/day 0.678 hours/ns 2.050 steps/s 2024-05-18 23:47:46,963 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215000 43000 69.589 -28505 7627.1 -36132 -36132 6.3486 -8.6136 0.070518 4.0782e+05 2024-05-18 23:48:25,952 INFO [main.py:798]
{rank 0/64} MD step = 215100 step time: 00:00:00.373605 Performance: 35.422 ns/day 0.678 hours/ns 2.050 steps/s 2024-05-18 23:48:36,839 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215100 43020 70.226 -28323 7696.9 -36020 -36020 6.3518 -8.6176 0.070599 4.08e+05 2024-05-18 23:49:10,598 INFO [main.py:798]
{rank 0/64} MD step = 215200 step time: 00:00:00.349132 Performance: 35.423 ns/day 0.678 hours/ns 2.050 steps/s 2024-05-18 23:49:24,534 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215200 43040 70.808 -28212 7760.7 -35972 -35972 6.3534 -8.6204 0.071433 4.082e+05 2024-05-18 23:49:59,010 INFO [main.py:798]
{rank 0/64} MD step = 215300 step time: 00:00:00.351159 Performance: 35.423 ns/day 0.678 hours/ns 2.050 steps/s 2024-05-18 23:50:13,363 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215300 43060 70.261 -28517 7700.7 -36217 -36217 6.3546 -8.6244 0.072075 4.0833e+05 2024-05-18 23:50:49,779 INFO [main.py:798]
{rank 0/64} MD step = 215400 step time: 00:00:00.327045 Performance: 35.422 ns/day 0.678 hours/ns 2.050 steps/s 2024-05-18 23:51:00,349 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215400 43080 69.929 -28424 7664.3 -36088 -36088 6.356 -8.6274 0.070918 4.0856e+05 2024-05-18 23:51:34,420 INFO [main.py:798]
{rank 0/64} MD step = 215500 step time: 00:00:00.329712 Performance: 35.424 ns/day 0.678 hours/ns 2.050 steps/s 2024-05-18 23:51:50,742 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215500 43100 70.575 -28380 7735.1 -36115 -36115 6.3586 -8.6307 0.070671 4.0876e+05 2024-05-18 23:52:24,760 INFO [main.py:798]
{rank 0/64} MD step = 215600 step time: 00:00:00.355440 Performance: 35.423 ns/day 0.678 hours/ns 2.050 steps/s 2024-05-18 23:52:37,322 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215600 43120 70.463 -28474 7722.8 -36197 -36197 6.3617 -8.6355 0.069947 4.0896e+05 2024-05-18 23:53:12,078 INFO [main.py:798]
{rank 0/64} MD step = 215700 step time: 00:00:00.367299 Performance: 35.424 ns/day 0.678 hours/ns 2.050 steps/s 2024-05-18 23:53:23,909 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215700 43140 69.983 -28504 7670.2 -36174 -36174 6.3641 -8.6394 0.071852 4.0915e+05 2024-05-18 23:53:57,765 INFO [main.py:798]
{rank 0/64} MD step = 215800 step time: 00:00:00.335213 Performance: 35.425 ns/day 0.677 hours/ns 2.050 steps/s 2024-05-18 23:54:08,453 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215800 43160 69.85 -28483 7655.6 -36139 -36139 6.3687 -8.6437 0.072033 4.0937e+05 2024-05-18 23:54:42,990 INFO [main.py:798]
{rank 0/64} MD step = 215900 step time: 00:00:00.353073 Performance: 35.426 ns/day 0.677 hours/ns 2.050 steps/s 2024-05-18 23:55:03,946 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215900 43180 69.186 -28600 7582.9 -36183 -36183 6.3712 -8.6481 0.072795 4.0954e+05 2024-05-18 23:55:37,148 INFO [main.py:798]
{rank 0/64} MD step = 216000 step time: 00:00:00.346703 Performance: 35.424 ns/day 0.678 hours/ns 2.050 steps/s 2024-05-18 23:55:47,487 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 216000 43200 69.186 -28586 7582.9 -36169 -36169 6.373 -8.6508 0.073299 4.0968e+05 2024-05-18 23:56:22,120 INFO [main.py:798]
{rank 0/64} MD step = 216100 step time: 00:00:00.338285 Performance: 35.425 ns/day 0.677 hours/ns 2.050 steps/s 2024-05-18 23:56:33,935 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 216100 43220 69.273 -28505 7592.4 -36097 -36097 6.374 -8.6549 0.071109 4.0992e+05 2024-05-18 23:57:08,071 INFO [main.py:798]
{rank 0/64} MD step = 216200 step time: 00:00:00.353907 Performance: 35.426 ns/day 0.677 hours/ns 2.050 steps/s 2024-05-18 23:57:17,013 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 216200 43240 69.633 -28433 7631.9 -36065 -36065 6.377 -8.6581 0.071852 4.1009e+05 2024-05-18 23:57:51,196 INFO [main.py:798]
{rank 0/64} MD step = 216300 step time: 00:00:00.354800 Performance: 35.428 ns/day 0.677 hours/ns 2.050 steps/s 2024-05-18 23:57:59,377 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 216300 43260 70.758 -28149 7755.2 -35904 -35904 6.3792 -8.6629 0.071914 4.1028e+05 2024-05-18 23:58:33,484 INFO [main.py:798]
{rank 0/64} MD step = 216400 step time: 00:00:00.350442 Performance: 35.430 ns/day 0.677 hours/ns 2.050 steps/s 2024-05-18 23:58:42,494 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 216400 43280 70.016 -28341 7673.9 -36015 -36015 6.3807 -8.666 0.07269 4.1046e+05 2024-05-18 23:59:16,514 INFO [main.py:798]
{rank 0/64} MD step = 216500 step time: 00:00:00.336527 Performance: 35.432 ns/day 0.677 hours/ns 2.050 steps/s 2024-05-18 23:59:27,294 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 216500 43300 70.505 -28332 7727.4 -36059 -36059 6.3832 -8.6702 0.07328 4.1062e+05 2024-05-19 00:00:01,467 INFO [main.py:798]
{rank 0/64} MD step = 216600 step time: 00:00:00.351890 Performance: 35.434 ns/day 0.677 hours/ns 2.051 steps/s 2024-05-19 00:00:13,952 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 216600 43320 69.182 -28506 7582.5 -36088 -36088 6.3836 -8.6732 0.073718 4.108e+05 2024-05-19 00:00:48,675 INFO [main.py:798]
{rank 0/64} MD step = 216700 step time: 00:00:00.370183 Performance: 35.434 ns/day 0.677 hours/ns 2.051 steps/s 2024-05-19 00:01:00,364 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 216700 43340 70.633 -28460 7741.5 -36202 -36202 6.3873 -8.6772 0.075052 4.1098e+05 2024-05-19 00:01:34,690 INFO [main.py:798]
{rank 0/64} MD step = 216800 step time: 00:00:00.354113 Performance: 35.435 ns/day 0.677 hours/ns 2.051 steps/s 2024-05-19 00:01:43,859 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 216800 43360 71.131 -28247 7796.1 -36043 -36043 6.3871 -8.6817 0.075157 4.1119e+05 2024-05-19 00:02:18,132 INFO [main.py:798]
{rank 0/64} MD step = 216900 step time: 00:00:00.338206 Performance: 35.437 ns/day 0.677 hours/ns 2.051 steps/s 2024-05-19 00:02:24,201 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 216900 43380 70.146 -28269 7688.1 -35957 -35957 6.391 -8.6841 0.075561 4.114e+05 2024-05-19 00:02:58,203 INFO [main.py:798]
{rank 0/64} MD step = 217000 step time: 00:00:00.336607 Performance: 35.440 ns/day 0.677 hours/ns 2.051 steps/s 2024-05-19 00:03:12,559 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 217000 43400 69.479 -28360 7615 -35974 -35974 6.3923 -8.6883 0.07429 4.1159e+05 2024-05-19 00:03:46,596 INFO [main.py:798]
{rank 0/64} MD step = 217100 step time: 00:00:00.339340 Performance: 35.440 ns/day 0.677 hours/ns 2.051 steps/s 2024-05-19 00:03:51,987 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 217100 43420 69.946 -28350 7666.1 -36017 -36017 6.3949 -8.6928 0.074557 4.1174e+05 2024-05-19 00:04:26,501 INFO [main.py:798]
{rank 0/64} MD step = 217200 step time: 00:00:00.347734 Performance: 35.443 ns/day 0.677 hours/ns 2.051 steps/s 2024-05-19 00:04:34,181 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 217200 43440 68.957 -28490 7557.8 -36048 -36048 6.397 -8.6963 0.074633 4.1194e+05 2024-05-19 00:05:09,640 INFO [main.py:798]
{rank 0/64} MD step = 217300 step time: 00:00:00.375494 Performance: 35.445 ns/day 0.677 hours/ns 2.051 steps/s 2024-05-19 00:05:22,711 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 217300 43460 69.222 -28446 7586.8 -36033 -36033 6.3987 -8.6993 0.07548 4.1214e+05 2024-05-19 00:05:56,916 INFO [main.py:798]
{rank 0/64} MD step = 217400 step time: 00:00:00.338946 Performance: 35.445 ns/day 0.677 hours/ns 2.051 steps/s 2024-05-19 00:06:06,511 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 217400 43480 70.033 -28388 7675.7 -36064 -36064 6.4013 -8.7029 0.076128 4.123e+05 2024-05-19 00:06:41,924 INFO [main.py:798]
{rank 0/64} MD step = 217500 step time: 00:00:00.353002 Performance: 35.447 ns/day 0.677 hours/ns 2.051 steps/s 2024-05-19 00:06:49,100 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 217500 43500 70.458 -28342 7722.3 -36064 -36064 6.4021 -8.7078 0.077166 4.1249e+05 2024-05-19 00:07:24,840 INFO [main.py:798]
{rank 0/64} MD step = 217600 step time: 00:00:00.379500 Performance: 35.448 ns/day 0.677 hours/ns 2.051 steps/s 2024-05-19 00:07:33,608 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 217600 43520 69.664 -28563 7635.2 -36198 -36198 6.4044 -8.7138 0.076757 4.1268e+05 2024-05-19 00:08:08,160 INFO [main.py:798]
{rank 0/64} MD step = 217700 step time: 00:00:00.345031 Performance: 35.450 ns/day 0.677 hours/ns 2.052 steps/s 2024-05-19 00:08:15,615 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 217700 43540 69.165 -28670 7580.6 -36250 -36250 6.4073 -8.7155 0.077166 4.1285e+05 2024-05-19 00:08:50,720 INFO [main.py:798]
{rank 0/64} MD step = 217800 step time: 00:00:00.366008 Performance: 35.452 ns/day 0.677 hours/ns 2.052 steps/s 2024-05-19 00:09:04,378 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 217800 43560 68.944 -28565 7556.3 -36121 -36121 6.4106 -8.7194 0.076671 4.1308e+05 2024-05-19 00:09:38,589 INFO [main.py:798]
{rank 0/64} MD step = 217900 step time: 00:00:00.337319 Performance: 35.453 ns/day 0.677 hours/ns 2.052 steps/s 2024-05-19 00:09:50,066 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 217900 43580 70.07 -28374 7679.7 -36053 -36053 6.4136 -8.7216 0.076576 4.1325e+05 2024-05-19 00:10:25,134 INFO [main.py:798]
{rank 0/64} MD step = 218000 step time: 00:00:00.330777 Performance: 35.453 ns/day 0.677 hours/ns 2.052 steps/s 2024-05-19 00:10:36,579 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 218000 43600 70.871 -28246 7767.6 -36014 -36014 6.4162 -8.7251 0.077109 4.135e+05 2024-05-19 00:11:11,126 INFO [main.py:798]
{rank 0/64} MD step = 218100 step time: 00:00:00.348808 Performance: 35.454 ns/day 0.677 hours/ns 2.052 steps/s 2024-05-19 00:11:19,254 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 218100 43620 70.501 -28404 7727 -36131 -36131 6.4193 -8.7293 0.07629 4.1364e+05 2024-05-19 00:11:53,605 INFO [main.py:798]
{rank 0/64} MD step = 218200 step time: 00:00:00.338387 Performance: 35.456 ns/day 0.677 hours/ns 2.052 steps/s 2024-05-19 00:12:01,690 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 218200 43640 70.862 -28287 7766.6 -36053 -36053 6.4231 -8.7329 0.076157 4.1387e+05 2024-05-19 00:12:36,055 INFO [main.py:798]
{rank 0/64} MD step = 218300 step time: 00:00:00.342766 Performance: 35.458 ns/day 0.677 hours/ns 2.052 steps/s 2024-05-19 00:12:43,673 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 218300 43660 69.721 -28440 7641.6 -36082 -36082 6.4249 -8.7365 0.077738 4.1403e+05 2024-05-19 00:13:17,854 INFO [main.py:798]
{rank 0/64} MD step = 218400 step time: 00:00:00.331151 Performance: 35.461 ns/day 0.677 hours/ns 2.052 steps/s 2024-05-19 00:13:22,594 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 218400 43680 70.558 -28255 7733.2 -35988 -35988 6.4283 -8.741 0.077719 4.1425e+05 2024-05-19 00:13:58,985 INFO [main.py:798]
{rank 0/64} MD step = 218500 step time: 00:00:00.352071 Performance: 35.463 ns/day 0.677 hours/ns 2.052 steps/s 2024-05-19 00:14:07,101 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 218500 43700 70.298 -28335 7704.7 -36040 -36040 6.432 -8.7445 0.076052 4.1441e+05 2024-05-19 00:14:41,397 INFO [main.py:798]
{rank 0/64} MD step = 218600 step time: 00:00:00.341544 Performance: 35.465 ns/day 0.677 hours/ns 2.052 steps/s 2024-05-19 00:14:48,341 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 218600 43720 69.309 -28593 7596.4 -36189 -36189 6.4346 -8.7483 0.07549 4.146e+05 2024-05-19 00:15:22,033 INFO [main.py:798]
{rank 0/64} MD step = 218700 step time: 00:00:00.339033 Performance: 35.468 ns/day 0.677 hours/ns 2.053 steps/s 2024-05-19 00:15:28,234 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 218700 43740 69.835 -28576 7654 -36230 -36230 6.4387 -8.7529 0.075757 4.1475e+05 2024-05-19 00:16:03,067 INFO [main.py:798]
{rank 0/64} MD step = 218800 step time: 00:00:00.355925 Performance: 35.471 ns/day 0.677 hours/ns 2.053 steps/s 2024-05-19 00:16:08,877 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 218800 43760 70.405 -28407 7716.5 -36123 -36123 6.4425 -8.7563 0.07488 4.1495e+05 2024-05-19 00:16:43,617 INFO [main.py:798]
{rank 0/64} MD step = 218900 step time: 00:00:00.340027 Performance: 35.473 ns/day 0.677 hours/ns 2.053 steps/s 2024-05-19 00:16:49,429 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 218900 43780 69.69 -28342 7638.1 -35980 -35980 6.4472 -8.7607 0.074518 4.1517e+05 2024-05-19 00:17:24,155 INFO [main.py:798]
{rank 0/64} MD step = 219000 step time: 00:00:00.338691 Performance: 35.476 ns/day 0.677 hours/ns 2.053 steps/s 2024-05-19 00:17:29,528 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 219000 43800 69.942 -28381 7665.7 -36047 -36047 6.4499 -8.765 0.074423 4.1538e+05 2024-05-19 00:18:03,876 INFO [main.py:798]
{rank 0/64} MD step = 219100 step time: 00:00:00.344495 Performance: 35.479 ns/day 0.676 hours/ns 2.053 steps/s 2024-05-19 00:18:09,877 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 219100 43820 70.71 -28316 7749.8 -36066 -36066 6.4503 -8.7663 0.073585 4.1557e+05 2024-05-19 00:18:44,299 INFO [main.py:798]
{rank 0/64} MD step = 219200 step time: 00:00:00.348551 Performance: 35.482 ns/day 0.676 hours/ns 2.053 steps/s 2024-05-19 00:18:49,655 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 219200 43840 68.949 -28431 7556.8 -35988 -35988 6.4533 -8.7692 0.072414 4.1578e+05 2024-05-19 00:19:23,365 INFO [main.py:798]
{rank 0/64} MD step = 219300 step time: 00:00:00.339114 Performance: 35.485 ns/day 0.676 hours/ns 2.054 steps/s 2024-05-19 00:19:43,535 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 219300 43860 70.166 -28362 7690.3 -36052 -36052 6.4566 -8.7722 0.072299 4.16e+05 2024-05-19 00:20:19,223 INFO [main.py:798]
{rank 0/64} MD step = 219400 step time: 00:00:00.329925 Performance: 35.483 ns/day 0.676 hours/ns 2.053 steps/s 2024-05-19 00:20:24,513 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 219400 43880 69.164 -28414 7580.5 -35995 -35995 6.4603 -8.7762 0.070994 4.1619e+05 2024-05-19 00:21:01,455 INFO [main.py:798]
{rank 0/64} MD step = 219500 step time: 00:00:00.325757 Performance: 35.485 ns/day 0.676 hours/ns 2.054 steps/s 2024-05-19 00:21:07,455 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 219500 43900 69.828 -28391 7653.3 -36045 -36045 6.466 -8.7786 0.070537 4.1635e+05 2024-05-19 00:21:44,099 INFO [main.py:798]
{rank 0/64} MD step = 219600 step time: 00:00:00.374038 Performance: 35.487 ns/day 0.676 hours/ns 2.054 steps/s 2024-05-19 00:21:49,623 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 219600 43920 71.219 -28178 7805.6 -35984 -35984 6.4683 -8.7824 0.070385 4.1654e+05 2024-05-19 00:22:23,949 INFO [main.py:798]
{rank 0/64} MD step = 219700 step time: 00:00:00.351867 Performance: 35.490 ns/day 0.676 hours/ns 2.054 steps/s 2024-05-19 00:22:31,350 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 219700 43940 71.48 -28156 7834.3 -35991 -35991 6.4708 -8.7853 0.068194 4.1675e+05 2024-05-19 00:23:05,603 INFO [main.py:798]
{rank 0/64} MD step = 219800 step time: 00:00:00.340081 Performance: 35.492 ns/day 0.676 hours/ns 2.054 steps/s 2024-05-19 00:23:10,725 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 219800 43960 70.28 -28394 7702.8 -36097 -36097 6.4727 -8.7883 0.066956 4.1688e+05 2024-05-19 00:23:47,349 INFO [main.py:798]
{rank 0/64} MD step = 219900 step time: 00:00:00.352539 Performance: 35.494 ns/day 0.676 hours/ns 2.054 steps/s 2024-05-19 00:23:56,832 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 219900 43980 69.663 -28485 7635.1 -36120 -36120 6.476 -8.7913 0.066385 4.171e+05 2024-05-19 00:24:30,703 INFO [main.py:798]
{rank 0/64} MD step = 220000 step time: 00:00:00.330982 Performance: 35.496 ns/day 0.676 hours/ns 2.054 steps/s 2024-05-19 00:24:43,585 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 220000 44000 69.372 -28335 7603.2 -35938 -35938 6.4783 -8.7947 0.063985 4.1731e+05 2024-05-19 00:25:17,070 INFO [main.py:798]
{rank 0/64} MD step = 220100 step time: 00:00:00.326394 Performance: 35.497 ns/day 0.676 hours/ns 2.054 steps/s 2024-05-19 00:25:41,463 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 220100 44020 70.262 -28169 7700.9 -35870 -35870 6.4797 -8.7976 0.064918 4.1748e+05 2024-05-19 00:26:15,349 INFO [main.py:798]
{rank 0/64} MD step = 220200 step time: 00:00:00.348955 Performance: 35.494 ns/day 0.676 hours/ns 2.054 steps/s 2024-05-19 00:26:25,600 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 220200 44040 70.004 -28238 7672.6 -35910 -35910 6.483 -8.8021 0.065385 4.177e+05 2024-05-19 00:27:00,730 INFO [main.py:798]
{rank 0/64} MD step = 220300 step time: 00:00:00.357585 Performance: 35.495 ns/day 0.676 hours/ns 2.054 steps/s 2024-05-19 00:27:07,962 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 220300 44060 70.735 -28302 7752.7 -36055 -36055 6.4842 -8.8063 0.066404 4.1783e+05 2024-05-19 00:27:41,271 INFO [main.py:798]
{rank 0/64} MD step = 220400 step time: 00:00:00.339932 Performance: 35.498 ns/day 0.676 hours/ns 2.054 steps/s 2024-05-19 00:27:50,542 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 220400 44080 69.529 -28502 7620.5 -36122 -36122 6.4883 -8.8091 0.066594 4.1801e+05 2024-05-19 00:28:24,383 INFO [main.py:798]
{rank 0/64} MD step = 220500 step time: 00:00:00.326549 Performance: 35.499 ns/day 0.676 hours/ns 2.054 steps/s 2024-05-19 00:28:45,627 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 220500 44100 70.352 -28314 7710.7 -36025 -36025 6.4903 -8.8131 0.066366 4.1824e+05 2024-05-19 00:29:20,732 INFO [main.py:798]
{rank 0/64} MD step = 220600 step time: 00:00:00.348783 Performance: 35.497 ns/day 0.676 hours/ns 2.054 steps/s 2024-05-19 00:29:29,807 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 220600 44120 71.072 -28199 7789.6 -35988 -35988 6.4931 -8.8169 0.065813 4.1842e+05 2024-05-19 00:30:03,975 INFO [main.py:798]
{rank 0/64} MD step = 220700 step time: 00:00:00.351778 Performance: 35.499 ns/day 0.676 hours/ns 2.054 steps/s 2024-05-19 00:30:16,744 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 220700 44140 70.09 -28252 7682 -35934 -35934 6.4949 -8.8213 0.06568 4.1862e+05 2024-05-19 00:30:50,768 INFO [main.py:798]
{rank 0/64} MD step = 220800 step time: 00:00:00.351307 Performance: 35.499 ns/day 0.676 hours/ns 2.054 steps/s 2024-05-19 00:31:08,571 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 220800 44160 69.293 -28465 7594.6 -36060 -36060 6.4968 -8.8245 0.066023 4.1883e+05 2024-05-19 00:31:43,135 INFO [main.py:798]
{rank 0/64} MD step = 220900 step time: 00:00:00.353651 Performance: 35.498 ns/day 0.676 hours/ns 2.054 steps/s 2024-05-19 00:31:52,727 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 220900 44180 70.545 -28306 7731.8 -36037 -36037 6.4987 -8.8286 0.065947 4.1902e+05 2024-05-19 00:32:27,805 INFO [main.py:798]
{rank 0/64} MD step = 221000 step time: 00:00:00.351989 Performance: 35.499 ns/day 0.676 hours/ns 2.054 steps/s 2024-05-19 00:32:35,986 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221000 44200 70.251 -28409 7699.5 -36109 -36109 6.5 -8.8318 0.065956 4.1918e+05 2024-05-19 00:33:11,217 INFO [main.py:798]
{rank 0/64} MD step = 221100 step time: 00:00:00.369327 Performance: 35.501 ns/day 0.676 hours/ns 2.054 steps/s 2024-05-19 00:33:18,372 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221100 44220 70.486 -28312 7725.3 -36038 -36038 6.5036 -8.8358 0.06467 4.1935e+05 2024-05-19 00:33:52,683 INFO [main.py:798]
{rank 0/64} MD step = 221200 step time: 00:00:00.357548 Performance: 35.503 ns/day 0.676 hours/ns 2.055 steps/s 2024-05-19 00:33:57,809 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221200 44240 71.61 -28330 7848.5 -36178 -36178 6.5074 -8.8401 0.065337 4.1952e+05 2024-05-19 00:34:31,985 INFO [main.py:798]
{rank 0/64} MD step = 221300 step time: 00:00:00.351610 Performance: 35.507 ns/day 0.676 hours/ns 2.055 steps/s 2024-05-19 00:34:38,569 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221300 44260 70.415 -28335 7717.5 -36053 -36053 6.5109 -8.8444 0.064366 4.1973e+05 2024-05-19 00:35:13,003 INFO [main.py:798]
{rank 0/64} MD step = 221400 step time: 00:00:00.346868 Performance: 35.509 ns/day 0.676 hours/ns 2.055 steps/s 2024-05-19 00:35:18,579 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221400 44280 70.111 -28378 7684.2 -36062 -36062 6.5147 -8.8504 0.065023 4.1993e+05 2024-05-19 00:35:52,760 INFO [main.py:798]
{rank 0/64} MD step = 221500 step time: 00:00:00.345990 Performance: 35.512 ns/day 0.676 hours/ns 2.055 steps/s 2024-05-19 00:35:58,415 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221500 44300 71.067 -28298 7789 -36087 -36087 6.5176 -8.8543 0.065313 4.2012e+05 2024-05-19 00:36:33,419 INFO [main.py:798]
{rank 0/64} MD step = 221600 step time: 00:00:00.364942 Performance: 35.515 ns/day 0.676 hours/ns 2.055 steps/s 2024-05-19 00:36:39,936 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221600 44320 69.24 -28538 7588.8 -36127 -36127 6.5215 -8.8593 0.065194 4.203e+05 2024-05-19 00:37:14,264 INFO [main.py:798]
{rank 0/64} MD step = 221700 step time: 00:00:00.349528 Performance: 35.517 ns/day 0.676 hours/ns 2.055 steps/s 2024-05-19 00:37:20,738 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221700 44340 70.006 -28464 7672.8 -36137 -36137 6.5245 -8.8626 0.065204 4.2052e+05 2024-05-19 00:37:55,451 INFO [main.py:798]
{rank 0/64} MD step = 221800 step time: 00:00:00.350041 Performance: 35.520 ns/day 0.676 hours/ns 2.056 steps/s 2024-05-19 00:38:01,209 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221800 44360 70.516 -28323 7728.6 -36052 -36052 6.5264 -8.8662 0.065223 4.207e+05 2024-05-19 00:38:36,062 INFO [main.py:798]
{rank 0/64} MD step = 221900 step time: 00:00:00.349434 Performance: 35.522 ns/day 0.676 hours/ns 2.056 steps/s 2024-05-19 00:38:41,692 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221900 44380 70.821 -28458 7762.1 -36220 -36220 6.5288 -8.8699 0.065185 4.2088e+05 2024-05-19 00:39:16,209 INFO [main.py:798]
{rank 0/64} MD step = 222000 step time: 00:00:00.358840 Performance: 35.525 ns/day 0.676 hours/ns 2.056 steps/s 2024-05-19 00:39:27,231 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222000 44400 68.978 -28647 7560 -36207 -36207 6.5314 -8.8719 0.064842 4.211e+05 2024-05-19 00:40:01,627 INFO [main.py:798]
{rank 0/64} MD step = 222100 step time: 00:00:00.345196 Performance: 35.526 ns/day 0.676 hours/ns 2.056 steps/s 2024-05-19 00:40:06,467 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222100 44420 70.586 -28479 7736.4 -36216 -36216 6.5352 -8.877 0.064385 4.2132e+05 2024-05-19 00:40:40,576 INFO [main.py:798]
{rank 0/64} MD step = 222200 step time: 00:00:00.344225 Performance: 35.529 ns/day 0.675 hours/ns 2.056 steps/s 2024-05-19 00:40:47,536 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222200 44440 69.021 -28645 7564.8 -36210 -36210 6.5376 -8.8801 0.066089 4.215e+05 2024-05-19 00:41:22,644 INFO [main.py:798]
{rank 0/64} MD step = 222300 step time: 00:00:00.351239 Performance: 35.532 ns/day 0.675 hours/ns 2.056 steps/s 2024-05-19 00:41:26,501 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222300 44460 69.181 -28585 7582.3 -36167 -36167 6.5401 -8.8824 0.066447 4.2168e+05 2024-05-19 00:42:02,500 INFO [main.py:798]
{rank 0/64} MD step = 222400 step time: 00:00:00.343413 Performance: 35.534 ns/day 0.675 hours/ns 2.056 steps/s 2024-05-19 00:42:07,555 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222400 44480 69.282 -28480 7593.4 -36073 -36073 6.5442 -8.8856 0.066251 4.219e+05 2024-05-19 00:42:42,163 INFO [main.py:798]
{rank 0/64} MD step = 222500 step time: 00:00:00.338295 Performance: 35.537 ns/day 0.675 hours/ns 2.057 steps/s 2024-05-19 00:42:46,638 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222500 44500 69.949 -28398 7666.5 -36065 -36065 6.5455 -8.8893 0.066099 4.2211e+05 2024-05-19 00:43:22,907 INFO [main.py:798]
{rank 0/64} MD step = 222600 step time: 00:00:00.343769 Performance: 35.540 ns/day 0.675 hours/ns 2.057 steps/s 2024-05-19 00:43:29,861 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222600 44520 69.619 -28344 7630.3 -35974 -35974 6.5492 -8.8922 0.065908 4.2231e+05 2024-05-19 00:44:04,512 INFO [main.py:798]
{rank 0/64} MD step = 222700 step time: 00:00:00.352718 Performance: 35.542 ns/day 0.675 hours/ns 2.057 steps/s 2024-05-19 00:44:13,573 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222700 44540 69.932 -28296 7664.6 -35961 -35961 6.5522 -8.8972 0.067128 4.2248e+05 2024-05-19 00:44:47,573 INFO [main.py:798]
{rank 0/64} MD step = 222800 step time: 00:00:00.335255 Performance: 35.544 ns/day 0.675 hours/ns 2.057 steps/s 2024-05-19 00:44:52,643 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222800 44560 69.948 -28217 7666.4 -35883 -35883 6.5554 -8.8992 0.069032 4.2264e+05 2024-05-19 00:45:26,824 INFO [main.py:798]
{rank 0/64} MD step = 222900 step time: 00:00:00.341147 Performance: 35.547 ns/day 0.675 hours/ns 2.057 steps/s 2024-05-19 00:45:30,736 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222900 44580 70.402 -28436 7716.2 -36152 -36152 6.5567 -8.9032 0.069766 4.2281e+05 2024-05-19 00:46:06,204 INFO [main.py:798]
{rank 0/64} MD step = 223000 step time: 00:00:00.360141 Performance: 35.550 ns/day 0.675 hours/ns 2.057 steps/s 2024-05-19 00:46:24,197 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 223000 44600 69.674 -28445 7636.4 -36081 -36081 6.5587 -8.9074 0.069452 4.2299e+05 2024-05-19 00:46:59,131 INFO [main.py:798]
{rank 0/64} MD step = 223100 step time: 00:00:00.371450 Performance: 35.549 ns/day 0.675 hours/ns 2.057 steps/s 2024-05-19 00:47:06,298 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 223100 44620 69.304 -28540 7595.8 -36135 -36135 6.5612 -8.9098 0.069166 4.2317e+05 2024-05-19 00:47:40,550 INFO [main.py:798]
{rank 0/64} MD step = 223200 step time: 00:00:00.342196 Performance: 35.551 ns/day 0.675 hours/ns 2.057 steps/s 2024-05-19 00:47:46,708 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 223200 44640 70.463 -28536 7722.8 -36259 -36259 6.5639 -8.9129 0.071204 4.233e+05 2024-05-19 00:48:21,139 INFO [main.py:798]
{rank 0/64} MD step = 223300 step time: 00:00:00.349030 Performance: 35.554 ns/day 0.675 hours/ns 2.058 steps/s 2024-05-19 00:48:26,964 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 223300 44660 69.638 -28346 7632.4 -35978 -35978 6.5661 -8.9166 0.071806 4.2355e+05 2024-05-19 00:49:01,301 INFO [main.py:798]
{rank 0/64} MD step = 223400 step time: 00:00:00.346152 Performance: 35.556 ns/day 0.675 hours/ns 2.058 steps/s 2024-05-19 00:49:07,788 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 223400 44680 70.051 -28310 7677.7 -35988 -35988 6.5687 -8.9196 0.070804 4.2373e+05 2024-05-19 00:49:41,977 INFO [main.py:798]
{rank 0/64} MD step = 223500 step time: 00:00:00.373103 Performance: 35.559 ns/day 0.675 hours/ns 2.058 steps/s 2024-05-19 00:49:49,028 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 223500 44700 69.188 -28325 7583.1 -35908 -35908 6.5721 -8.9235 0.071214 4.2396e+05 2024-05-19 00:50:24,057 INFO [main.py:798]
{rank 0/64} MD step = 223600 step time: 00:00:00.347042 Performance: 35.561 ns/day 0.675 hours/ns 2.058 steps/s 2024-05-19 00:50:39,189 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 223600 44720 69.823 -28270 7652.7 -35922 -35922 6.576 -8.9277 0.071128 4.2416e+05 2024-05-19 00:51:13,342 INFO [main.py:798]
{rank 0/64} MD step = 223700 step time: 00:00:00.357173 Performance: 35.561 ns/day 0.675 hours/ns 2.058 steps/s 2024-05-19 00:51:22,274 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 223700 44740 69.455 -28436 7612.4 -36048 -36048 6.5796 -8.9311 0.07058 4.2429e+05 2024-05-19 00:51:56,448 INFO [main.py:798]
{rank 0/64} MD step = 223800 step time: 00:00:00.344272 Performance: 35.563 ns/day 0.675 hours/ns 2.058 steps/s 2024-05-19 00:52:02,886 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 223800 44760 70.973 -28313 7778.7 -36092 -36092 6.5811 -8.9353 0.071014 4.2451e+05 2024-05-19 00:52:37,471 INFO [main.py:798]
{rank 0/64} MD step = 223900 step time: 00:00:00.348240 Performance: 35.565 ns/day 0.675 hours/ns 2.058 steps/s 2024-05-19 00:52:44,953 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 223900 44780 70.471 -28346 7723.7 -36070 -36070 6.5855 -8.9391 0.070823 4.247e+05 2024-05-19 00:53:19,561 INFO [main.py:798]
{rank 0/64} MD step = 224000 step time: 00:00:00.357992 Performance: 35.567 ns/day 0.675 hours/ns 2.058 steps/s 2024-05-19 00:53:25,557 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224000 44800 69.621 -28405 7630.6 -36036 -36036 6.5876 -8.942 0.070766 4.2493e+05 2024-05-19 00:54:00,138 INFO [main.py:798]
{rank 0/64} MD step = 224100 step time: 00:00:00.352250 Performance: 35.570 ns/day 0.675 hours/ns 2.058 steps/s 2024-05-19 00:54:07,294 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224100 44820 70.868 -28194 7767.2 -35961 -35961 6.5891 -8.947 0.070442 4.2516e+05 2024-05-19 00:54:41,646 INFO [main.py:798]
{rank 0/64} MD step = 224200 step time: 00:00:00.348568 Performance: 35.572 ns/day 0.675 hours/ns 2.059 steps/s 2024-05-19 00:54:48,412 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224200 44840 70.311 -28443 7706.2 -36149 -36149 6.5884 -8.9492 0.072452 4.2534e+05 2024-05-19 00:55:23,050 INFO [main.py:798]
{rank 0/64} MD step = 224300 step time: 00:00:00.352505 Performance: 35.575 ns/day 0.675 hours/ns 2.059 steps/s 2024-05-19 00:55:29,518 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224300 44860 68.365 -28709 7492.9 -36202 -36202 6.5911 -8.952 0.07368 4.2554e+05 2024-05-19 00:56:03,938 INFO [main.py:798]
{rank 0/64} MD step = 224400 step time: 00:00:00.334254 Performance: 35.577 ns/day 0.675 hours/ns 2.059 steps/s 2024-05-19 00:56:09,586 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224400 44880 69.766 -28355 7646.5 -36002 -36002 6.5925 -8.9537 0.072342 4.2573e+05 2024-05-19 00:56:43,980 INFO [main.py:798]
{rank 0/64} MD step = 224500 step time: 00:00:00.350518 Performance: 35.580 ns/day 0.675 hours/ns 2.059 steps/s 2024-05-19 00:56:50,505 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224500 44900 70.274 -28440 7702.1 -36142 -36142 6.594 -8.9573 0.071452 4.2591e+05 2024-05-19 00:57:25,301 INFO [main.py:798]
{rank 0/64} MD step = 224600 step time: 00:00:00.354170 Performance: 35.582 ns/day 0.674 hours/ns 2.059 steps/s 2024-05-19 00:57:35,300 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224600 44920 70.578 -28402 7735.4 -36137 -36137 6.5954 -8.9607 0.07279 4.2612e+05 2024-05-19 00:58:10,218 INFO [main.py:798]
{rank 0/64} MD step = 224700 step time: 00:00:00.351470 Performance: 35.583 ns/day 0.674 hours/ns 2.059 steps/s 2024-05-19 00:58:15,611 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224700 44940 69.839 -28537 7654.4 -36191 -36191 6.5979 -8.9643 0.07268 4.2632e+05 2024-05-19 00:58:52,530 INFO [main.py:798]
{rank 0/64} MD step = 224800 step time: 00:00:00.372331 Performance: 35.586 ns/day 0.674 hours/ns 2.059 steps/s 2024-05-19 00:58:58,679 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224800 44960 69.946 -28602 7666.2 -36269 -36269 6.6005 -8.9665 0.072728 4.2651e+05 2024-05-19 00:59:33,126 INFO [main.py:798]
{rank 0/64} MD step = 224900 step time: 00:00:00.354966 Performance: 35.588 ns/day 0.674 hours/ns 2.059 steps/s 2024-05-19 00:59:40,051 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224900 44980 69.529 -28621 7620.5 -36241 -36241 6.6032 -8.9696 0.073757 4.2672e+05 2024-05-19 01:00:13,398 INFO [main.py:798]
{rank 0/64} MD step = 225000 step time: 00:00:00.332397 Performance: 35.591 ns/day 0.674 hours/ns 2.060 steps/s 2024-05-19 01:00:20,692 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 225000 45000 69.756 -28510 7645.4 -36155 -36155 6.6053 -8.9728 0.07399 4.269e+05 2024-05-19 01:00:55,073 INFO [main.py:798]
{rank 0/64} MD step = 225100 step time: 00:00:00.362145 Performance: 35.593 ns/day 0.674 hours/ns 2.060 steps/s 2024-05-19 01:01:02,416 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 225100 45020 69.752 -28500 7644.9 -36145 -36145 6.6066 -8.9766 0.074052 4.2708e+05 2024-05-19 01:01:36,106 INFO [main.py:798]
{rank 0/64} MD step = 225200 step time: 00:00:00.339305 Performance: 35.596 ns/day 0.674 hours/ns 2.060 steps/s 2024-05-19 01:01:44,470 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 225200 45040 69.58 -28640 7626.1 -36266 -36266 6.6088 -8.9795 0.07343 4.2722e+05 2024-05-19 01:02:18,951 INFO [main.py:798]
{rank 0/64} MD step = 225300 step time: 00:00:00.346001 Performance: 35.597 ns/day 0.674 hours/ns 2.060 steps/s 2024-05-19 01:02:26,948 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 225300 45060 70.305 -28193 7705.6 -35899 -35899 6.6112 -8.9814 0.073547 4.2748e+05 2024-05-19 01:03:01,811 INFO [main.py:798]
{rank 0/64} MD step = 225400 step time: 00:00:00.342403 Performance: 35.599 ns/day 0.674 hours/ns 2.060 steps/s 2024-05-19 01:03:08,705 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 225400 45080 71.014 -28393 7783.2 -36176 -36176 6.6134 -8.9829 0.074223 4.2763e+05 2024-05-19 01:03:42,654 INFO [main.py:798]
{rank 0/64} MD step = 225500 step time: 00:00:00.335747 Performance: 35.602 ns/day 0.674 hours/ns 2.060 steps/s 2024-05-19 01:03:56,137 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 225500 45100 71.03 -28418 7785 -36203 -36203 6.6172 -8.9857 0.073985 4.278e+05 2024-05-19 01:04:30,060 INFO [main.py:798]
{rank 0/64} MD step = 225600 step time: 00:00:00.342235 Performance: 35.602 ns/day 0.674 hours/ns 2.060 steps/s 2024-05-19 01:04:37,531 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 225600 45120 70.321 -28384 7707.3 -36091 -36091 6.6188 -8.9881 0.074023 4.2803e+05 2024-05-19 01:05:14,445 INFO [main.py:798]
{rank 0/64} MD step = 225700 step time: 00:00:00.335327 Performance: 35.603 ns/day 0.674 hours/ns 2.060 steps/s 2024-05-19 01:05:24,246 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 225700 45140 70.064 -28282 7679.1 -35961 -35961 6.6197 -8.9899 0.075642 4.2818e+05 2024-05-19 01:05:59,181 INFO [main.py:798]
{rank 0/64} MD step = 225800 step time: 00:00:00.333132 Performance: 35.605 ns/day 0.674 hours/ns 2.060 steps/s 2024-05-19 01:06:06,891 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 225800 45160 70.144 -28411 7687.9 -36099 -36099 6.6243 -8.9925 0.075547 4.2835e+05 2024-05-19 01:06:41,571 INFO [main.py:798]
{rank 0/64} MD step = 225900 step time: 00:00:00.331464 Performance: 35.607 ns/day 0.674 hours/ns 2.061 steps/s 2024-05-19 01:06:48,883 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 225900 45180 68.643 -28628 7523.4 -36152 -36152 6.6254 -8.9961 0.075357 4.2853e+05 2024-05-19 01:07:23,444 INFO [main.py:798]
{rank 0/64} MD step = 226000 step time: 00:00:00.345357 Performance: 35.609 ns/day 0.674 hours/ns 2.061 steps/s 2024-05-19 01:07:34,371 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226000 45200 69.842 -28497 7654.8 -36152 -36152 6.6269 -8.9979 0.074118 4.287e+05 2024-05-19 01:08:08,694 INFO [main.py:798]
{rank 0/64} MD step = 226100 step time: 00:00:00.329121 Performance: 35.610 ns/day 0.674 hours/ns 2.061 steps/s 2024-05-19 01:08:16,489 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226100 45220 70.296 -28326 7704.6 -36031 -36031 6.6288 -9.0006 0.074614 4.289e+05 2024-05-19 01:08:51,023 INFO [main.py:798]
{rank 0/64} MD step = 226200 step time: 00:00:00.331621 Performance: 35.612 ns/day 0.674 hours/ns 2.061 steps/s 2024-05-19 01:09:00,344 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226200 45240 70.231 -28488 7697.4 -36185 -36185 6.63 -9.0038 0.07269 4.2904e+05 2024-05-19 01:09:34,982 INFO [main.py:798]
{rank 0/64} MD step = 226300 step time: 00:00:00.344522 Performance: 35.613 ns/day 0.674 hours/ns 2.061 steps/s 2024-05-19 01:09:41,186 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226300 45260 70.009 -28374 7673.1 -36047 -36047 6.6332 -9.007 0.074257 4.2922e+05 2024-05-19 01:10:14,833 INFO [main.py:798]
{rank 0/64} MD step = 226400 step time: 00:00:00.362654 Performance: 35.616 ns/day 0.674 hours/ns 2.061 steps/s 2024-05-19 01:10:19,545 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226400 45280 69.374 -28358 7603.5 -35961 -35961 6.635 -9.0099 0.074614 4.2941e+05 2024-05-19 01:10:55,560 INFO [main.py:798]
{rank 0/64} MD step = 226500 step time: 00:00:00.344487 Performance: 35.619 ns/day 0.674 hours/ns 2.061 steps/s 2024-05-19 01:11:01,532 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226500 45300 68.544 -28481 7512.5 -35993 -35993 6.6366 -9.0124 0.076309 4.2957e+05 2024-05-19 01:11:35,499 INFO [main.py:798]
{rank 0/64} MD step = 226600 step time: 00:00:00.334287 Performance: 35.621 ns/day 0.674 hours/ns 2.061 steps/s 2024-05-19 01:11:41,649 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226600 45320 69.547 -28531 7622.5 -36154 -36154 6.6396 -9.0145 0.075852 4.2978e+05 2024-05-19 01:12:17,018 INFO [main.py:798]
{rank 0/64} MD step = 226700 step time: 00:00:00.368564 Performance: 35.624 ns/day 0.674 hours/ns 2.062 steps/s 2024-05-19 01:12:23,764 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226700 45340 69.996 -28343 7671.7 -36015 -36015 6.642 -9.0169 0.075747 4.2997e+05 2024-05-19 01:12:57,658 INFO [main.py:798]
{rank 0/64} MD step = 226800 step time: 00:00:00.356427 Performance: 35.626 ns/day 0.674 hours/ns 2.062 steps/s 2024-05-19 01:13:04,257 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226800 45360 69.519 -28547 7619.3 -36166 -36166 6.6454 -9.0209 0.074052 4.3014e+05 2024-05-19 01:13:38,466 INFO [main.py:798]
{rank 0/64} MD step = 226900 step time: 00:00:00.349801 Performance: 35.629 ns/day 0.674 hours/ns 2.062 steps/s 2024-05-19 01:13:44,818 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226900 45380 70.045 -28396 7677.1 -36073 -36073 6.6467 -9.0233 0.073552 4.3035e+05 2024-05-19 01:14:19,117 INFO [main.py:798]
{rank 0/64} MD step = 227000 step time: 00:00:00.349828 Performance: 35.631 ns/day 0.674 hours/ns 2.062 steps/s 2024-05-19 01:14:25,908 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 227000 45400 69.922 -28279 7663.6 -35942 -35942 6.6483 -9.0255 0.07429 4.3055e+05 2024-05-19 01:15:01,325 INFO [main.py:798]
{rank 0/64} MD step = 227100 step time: 00:00:00.346274 Performance: 35.633 ns/day 0.674 hours/ns 2.062 steps/s 2024-05-19 01:15:07,849 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 227100 45420 71.078 -28288 7790.2 -36078 -36078 6.6496 -9.0268 0.073033 4.3073e+05 2024-05-19 01:15:43,035 INFO [main.py:798]
{rank 0/64} MD step = 227200 step time: 00:00:00.346200 Performance: 35.636 ns/day 0.673 hours/ns 2.062 steps/s 2024-05-19 01:15:52,515 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 227200 45440 69.932 -28455 7664.7 -36120 -36120 6.6519 -9.0292 0.07269 4.3091e+05 2024-05-19 01:16:27,337 INFO [main.py:798]
{rank 0/64} MD step = 227300 step time: 00:00:00.373738 Performance: 35.637 ns/day 0.673 hours/ns 2.062 steps/s 2024-05-19 01:16:35,525 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 227300 45460 70.216 -28453 7695.8 -36148 -36148 6.6539 -9.0304 0.072766 4.3109e+05 2024-05-19 01:17:09,910 INFO [main.py:798]
{rank 0/64} MD step = 227400 step time: 00:00:00.355508 Performance: 35.639 ns/day 0.673 hours/ns 2.062 steps/s 2024-05-19 01:17:22,229 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 227400 45480 70.625 -28345 7740.5 -36086 -36086 6.6593 -9.0326 0.074347 4.3128e+05 2024-05-19 01:17:58,006 INFO [main.py:798]
{rank 0/64} MD step = 227500 step time: 00:00:00.327275 Performance: 35.639 ns/day 0.673 hours/ns 2.062 steps/s 2024-05-19 01:18:09,633 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 227500 45500 69.721 -28394 7641.5 -36036 -36036 6.6625 -9.0354 0.076214 4.3146e+05 2024-05-19 01:18:45,417 INFO [main.py:798]
{rank 0/64} MD step = 227600 step time: 00:00:00.354976 Performance: 35.639 ns/day 0.673 hours/ns 2.062 steps/s 2024-05-19 01:19:01,021 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 227600 45520 69.488 -28546 7616 -36162 -36162 6.6643 -9.0388 0.077185 4.3163e+05 2024-05-19 01:19:34,309 INFO [main.py:798]
{rank 0/64} MD step = 227700 step time: 00:00:00.339554 Performance: 35.639 ns/day 0.673 hours/ns 2.062 steps/s 2024-05-19 01:19:47,154 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 227700 45540 70.793 -28279 7758.9 -36038 -36038 6.6658 -9.0408 0.077642 4.3186e+05 2024-05-19 01:20:21,902 INFO [main.py:798]
{rank 0/64} MD step = 227800 step time: 00:00:00.349953 Performance: 35.639 ns/day 0.673 hours/ns 2.062 steps/s 2024-05-19 01:20:34,136 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 227800 45560 69.35 -28435 7600.8 -36036 -36036 6.6657 -9.0432 0.079185 4.3206e+05 2024-05-19 01:21:08,247 INFO [main.py:798]
{rank 0/64} MD step = 227900 step time: 00:00:00.338967 Performance: 35.640 ns/day 0.673 hours/ns 2.063 steps/s 2024-05-19 01:21:22,001 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 227900 45580 70.605 -28429 7738.3 -36167 -36167 6.6688 -9.0473 0.079338 4.3221e+05 2024-05-19 01:21:56,192 INFO [main.py:798]
{rank 0/64} MD step = 228000 step time: 00:00:00.355883 Performance: 35.640 ns/day 0.673 hours/ns 2.063 steps/s 2024-05-19 01:22:03,618 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228000 45600 69.174 -28646 7581.5 -36228 -36228 6.6702 -9.051 0.080443 4.3237e+05 2024-05-19 01:22:38,451 INFO [main.py:798]
{rank 0/64} MD step = 228100 step time: 00:00:00.353142 Performance: 35.642 ns/day 0.673 hours/ns 2.063 steps/s 2024-05-19 01:22:44,743 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228100 45620 69.465 -28568 7613.5 -36182 -36182 6.6728 -9.0548 0.080614 4.3258e+05 2024-05-19 01:23:18,878 INFO [main.py:798]
{rank 0/64} MD step = 228200 step time: 00:00:00.348424 Performance: 35.645 ns/day 0.673 hours/ns 2.063 steps/s 2024-05-19 01:23:25,120 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228200 45640 68.574 -28591 7515.8 -36106 -36106 6.6757 -9.0588 0.081738 4.3275e+05 2024-05-19 01:23:58,888 INFO [main.py:798]
{rank 0/64} MD step = 228300 step time: 00:00:00.361405 Performance: 35.648 ns/day 0.673 hours/ns 2.063 steps/s 2024-05-19 01:24:06,751 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228300 45660 70.013 -28354 7673.5 -36027 -36027 6.6776 -9.0605 0.081909 4.3295e+05 2024-05-19 01:24:40,885 INFO [main.py:798]
{rank 0/64} MD step = 228400 step time: 00:00:00.352715 Performance: 35.650 ns/day 0.673 hours/ns 2.063 steps/s 2024-05-19 01:24:47,328 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228400 45680 69.8 -28541 7650.2 -36192 -36192 6.6791 -9.0632 0.081652 4.3312e+05 2024-05-19 01:25:23,621 INFO [main.py:798]
{rank 0/64} MD step = 228500 step time: 00:00:00.333979 Performance: 35.652 ns/day 0.673 hours/ns 2.063 steps/s 2024-05-19 01:25:30,278 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228500 45700 69.496 -28596 7616.8 -36213 -36213 6.6817 -9.0662 0.080652 4.3329e+05 2024-05-19 01:26:04,271 INFO [main.py:798]
{rank 0/64} MD step = 228600 step time: 00:00:00.335821 Performance: 35.654 ns/day 0.673 hours/ns 2.063 steps/s 2024-05-19 01:26:10,958 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228600 45720 69.836 -28504 7654.1 -36158 -36158 6.6845 -9.066 0.080081 4.335e+05 2024-05-19 01:26:44,833 INFO [main.py:798]
{rank 0/64} MD step = 228700 step time: 00:00:00.380191 Performance: 35.657 ns/day 0.673 hours/ns 2.063 steps/s 2024-05-19 01:26:51,837 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228700 45740 70.931 -28460 7774.1 -36234 -36234 6.687 -9.0691 0.082019 4.337e+05 2024-05-19 01:27:26,234 INFO [main.py:798]
{rank 0/64} MD step = 228800 step time: 00:00:00.352842 Performance: 35.659 ns/day 0.673 hours/ns 2.064 steps/s 2024-05-19 01:27:35,499 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228800 45760 68.636 -28618 7522.6 -36141 -36141 6.6902 -9.072 0.080995 4.3389e+05 2024-05-19 01:28:09,862 INFO [main.py:798]
{rank 0/64} MD step = 228900 step time: 00:00:00.352859 Performance: 35.660 ns/day 0.673 hours/ns 2.064 steps/s 2024-05-19 01:28:18,868 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228900 45780 69.513 -28467 7618.7 -36086 -36086 6.6913 -9.0753 0.081767 4.341e+05 2024-05-19 01:28:53,184 INFO [main.py:798]
{rank 0/64} MD step = 229000 step time: 00:00:00.339617 Performance: 35.662 ns/day 0.673 hours/ns 2.064 steps/s 2024-05-19 01:29:02,196 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229000 45800 70.447 -28461 7721.1 -36182 -36182 6.6941 -9.0795 0.081986 4.3428e+05 2024-05-19 01:29:36,501 INFO [main.py:798]
{rank 0/64} MD step = 229100 step time: 00:00:00.354257 Performance: 35.664 ns/day 0.673 hours/ns 2.064 steps/s 2024-05-19 01:29:43,603 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229100 45820 69.941 -28408 7665.6 -36074 -36074 6.6977 -9.0821 0.083443 4.3447e+05 2024-05-19 01:30:18,623 INFO [main.py:798]
{rank 0/64} MD step = 229200 step time: 00:00:00.371086 Performance: 35.666 ns/day 0.673 hours/ns 2.064 steps/s 2024-05-19 01:30:26,251 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229200 45840 69.931 -28408 7664.5 -36073 -36073 6.7013 -9.0848 0.083757 4.3466e+05 2024-05-19 01:31:01,645 INFO [main.py:798]
{rank 0/64} MD step = 229300 step time: 00:00:00.342804 Performance: 35.668 ns/day 0.673 hours/ns 2.064 steps/s 2024-05-19 01:31:08,533 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229300 45860 69.998 -28418 7671.9 -36090 -36090 6.7047 -9.0874 0.083538 4.3489e+05 2024-05-19 01:31:44,361 INFO [main.py:798]
{rank 0/64} MD step = 229400 step time: 00:00:00.351458 Performance: 35.669 ns/day 0.673 hours/ns 2.064 steps/s 2024-05-19 01:31:52,227 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229400 45880 68.985 -28537 7560.9 -36098 -36098 6.7061 -9.0899 0.084743 4.3506e+05 2024-05-19 01:32:26,300 INFO [main.py:798]
{rank 0/64} MD step = 229500 step time: 00:00:00.344950 Performance: 35.671 ns/day 0.673 hours/ns 2.064 steps/s 2024-05-19 01:32:42,801 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229500 45900 69.353 -28512 7601.2 -36114 -36114 6.7067 -9.0921 0.083433 4.352e+05 2024-05-19 01:33:16,055 INFO [main.py:798]
{rank 0/64} MD step = 229600 step time: 00:00:00.331264 Performance: 35.671 ns/day 0.673 hours/ns 2.064 steps/s 2024-05-19 01:33:21,581 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229600 45920 70.194 -28342 7693.3 -36036 -36036 6.7072 -9.0951 0.083814 4.3539e+05 2024-05-19 01:33:56,303 INFO [main.py:798]
{rank 0/64} MD step = 229700 step time: 00:00:00.329817 Performance: 35.674 ns/day 0.673 hours/ns 2.064 steps/s 2024-05-19 01:34:01,863 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229700 45940 69.091 -28415 7572.4 -35987 -35987 6.712 -9.096 0.084386 4.3556e+05 2024-05-19 01:34:36,620 INFO [main.py:798]
{rank 0/64} MD step = 229800 step time: 00:00:00.332855 Performance: 35.676 ns/day 0.673 hours/ns 2.065 steps/s 2024-05-19 01:34:59,507 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229800 45960 70.191 -28296 7693 -35989 -35989 6.7149 -9.0974 0.084233 4.3577e+05 2024-05-19 01:35:33,962 INFO [main.py:798]
{rank 0/64} MD step = 229900 step time: 00:00:00.347594 Performance: 35.673 ns/day 0.673 hours/ns 2.064 steps/s 2024-05-19 01:35:44,441 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229900 45980 70.092 -28414 7682.2 -36096 -36096 6.7158 -9.0991 0.084862 4.3596e+05 2024-05-19 01:36:19,021 INFO [main.py:798]
{rank 0/64} MD step = 230000 step time: 00:00:00.356496 Performance: 35.675 ns/day 0.673 hours/ns 2.064 steps/s 2024-05-19 01:36:38,466 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 230000 46000 70.528 -28559 7729.9 -36289 -36289 6.7182 -9.1022 0.0829 4.3608e+05 2024-05-19 01:37:14,622 INFO [main.py:798]
{rank 0/64} MD step = 230100 step time: 00:00:00.370172 Performance: 35.672 ns/day 0.673 hours/ns 2.064 steps/s 2024-05-19 01:37:23,270 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 230100 46020 70.871 -28310 7767.6 -36078 -36078 6.7204 -9.1054 0.082814 4.3632e+05 2024-05-19 01:37:59,581 INFO [main.py:798]
{rank 0/64} MD step = 230200 step time: 00:00:00.369541 Performance: 35.673 ns/day 0.673 hours/ns 2.064 steps/s 2024-05-19 01:38:07,874 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 230200 46040 69.626 -28398 7631.1 -36029 -36029 6.7238 -9.1073 0.08389 4.3653e+05 2024-05-19 01:38:42,366 INFO [main.py:798]
{rank 0/64} MD step = 230300 step time: 00:00:00.350300 Performance: 35.675 ns/day 0.673 hours/ns 2.065 steps/s 2024-05-19 01:38:49,296 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 230300 46060 70.247 -28364 7699.1 -36063 -36063 6.7246 -9.1119 0.083148 4.367e+05 2024-05-19 01:39:23,750 INFO [main.py:798]
{rank 0/64} MD step = 230400 step time: 00:00:00.345683 Performance: 35.677 ns/day 0.673 hours/ns 2.065 steps/s 2024-05-19 01:39:35,811 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 230400 46080 70.686 -28305 7747.3 -36053 -36053 6.7267 -9.113 0.084424 4.3689e+05 2024-05-19 01:40:09,906 INFO [main.py:798]
{rank 0/64} MD step = 230500 step time: 00:00:00.327580 Performance: 35.678 ns/day 0.673 hours/ns 2.065 steps/s 2024-05-19 01:40:20,841 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 230500 46100 70.834 -28354 7763.5 -36117 -36117 6.7287 -9.1158 0.083852 4.3711e+05 2024-05-19 01:40:55,028 INFO [main.py:798]
{rank 0/64} MD step = 230600 step time: 00:00:00.346410 Performance: 35.679 ns/day 0.673 hours/ns 2.065 steps/s 2024-05-19 01:41:02,188 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 230600 46120 70.313 -28278 7706.4 -35984 -35984 6.7312 -9.1181 0.083433 4.3734e+05 2024-05-19 01:41:36,889 INFO [main.py:798]
{rank 0/64} MD step = 230700 step time: 00:00:00.352911 Performance: 35.681 ns/day 0.673 hours/ns 2.065 steps/s 2024-05-19 01:41:46,576 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 230700 46140 69.621 -28447 7630.5 -36078 -36078 6.7355 -9.1198 0.083414 4.3751e+05 2024-05-19 01:42:20,282 INFO [main.py:798]
{rank 0/64} MD step = 230800 step time: 00:00:00.347489 Performance: 35.683 ns/day 0.673 hours/ns 2.065 steps/s 2024-05-19 01:42:32,255 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 230800 46160 69.869 -28439 7657.7 -36097 -36097 6.7374 -9.1218 0.082995 4.377e+05 2024-05-19 01:43:07,249 INFO [main.py:798]
{rank 0/64} MD step = 230900 step time: 00:00:00.346542 Performance: 35.683 ns/day 0.673 hours/ns 2.065 steps/s 2024-05-19 01:43:16,469 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 230900 46180 70.192 -28370 7693.1 -36063 -36063 6.7382 -9.1232 0.083967 4.379e+05 2024-05-19 01:43:50,464 INFO [main.py:798]
{rank 0/64} MD step = 231000 step time: 00:00:00.349821 Performance: 35.685 ns/day 0.673 hours/ns 2.065 steps/s 2024-05-19 01:43:57,305 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231000 46200 69.777 -28309 7647.6 -35957 -35957 6.7393 -9.1259 0.08471 4.3812e+05 2024-05-19 01:44:32,367 INFO [main.py:798]
{rank 0/64} MD step = 231100 step time: 00:00:00.343684 Performance: 35.687 ns/day 0.673 hours/ns 2.065 steps/s 2024-05-19 01:44:39,330 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231100 46220 69.41 -28461 7607.4 -36068 -36068 6.7404 -9.128 0.08471 4.3831e+05 2024-05-19 01:45:13,805 INFO [main.py:798]
{rank 0/64} MD step = 231200 step time: 00:00:00.341446 Performance: 35.689 ns/day 0.672 hours/ns 2.065 steps/s 2024-05-19 01:45:19,637 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231200 46240 70.189 -28406 7692.8 -36099 -36099 6.7426 -9.1298 0.084805 4.385e+05 2024-05-19 01:45:53,936 INFO [main.py:798]
{rank 0/64} MD step = 231300 step time: 00:00:00.352876 Performance: 35.692 ns/day 0.672 hours/ns 2.066 steps/s 2024-05-19 01:46:06,502 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231300 46260 70.306 -28433 7705.6 -36139 -36139 6.7437 -9.132 0.084262 4.3868e+05 2024-05-19 01:46:41,235 INFO [main.py:798]
{rank 0/64} MD step = 231400 step time: 00:00:00.355070 Performance: 35.692 ns/day 0.672 hours/ns 2.066 steps/s 2024-05-19 01:46:48,970 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231400 46280 70.272 -28405 7701.9 -36107 -36107 6.7445 -9.1349 0.082824 4.3889e+05 2024-05-19 01:47:23,170 INFO [main.py:798]
{rank 0/64} MD step = 231500 step time: 00:00:00.347825 Performance: 35.694 ns/day 0.672 hours/ns 2.066 steps/s 2024-05-19 01:47:31,485 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231500 46300 70.322 -28454 7707.3 -36161 -36161 6.7465 -9.1356 0.081262 4.3908e+05 2024-05-19 01:48:06,285 INFO [main.py:798]
{rank 0/64} MD step = 231600 step time: 00:00:00.349696 Performance: 35.696 ns/day 0.672 hours/ns 2.066 steps/s 2024-05-19 01:48:14,011 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231600 46320 69.95 -28492 7666.6 -36159 -36159 6.7483 -9.1366 0.081605 4.3929e+05 2024-05-19 01:48:47,829 INFO [main.py:798]
{rank 0/64} MD step = 231700 step time: 00:00:00.345345 Performance: 35.698 ns/day 0.672 hours/ns 2.066 steps/s 2024-05-19 01:49:03,024 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231700 46340 70.163 -28419 7690 -36109 -36109 6.75 -9.1386 0.083319 4.3948e+05 2024-05-19 01:49:38,526 INFO [main.py:798]
{rank 0/64} MD step = 231800 step time: 00:00:00.371567 Performance: 35.698 ns/day 0.672 hours/ns 2.066 steps/s 2024-05-19 01:49:45,791 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231800 46360 70.628 -28282 7740.9 -36023 -36023 6.7505 -9.1401 0.084119 4.3969e+05 2024-05-19 01:50:19,789 INFO [main.py:798]
{rank 0/64} MD step = 231900 step time: 00:00:00.344798 Performance: 35.700 ns/day 0.672 hours/ns 2.066 steps/s 2024-05-19 01:50:25,651 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231900 46380 70.563 -28198 7733.8 -35932 -35932 6.7527 -9.1423 0.086081 4.3992e+05 2024-05-19 01:51:00,302 INFO [main.py:798]
{rank 0/64} MD step = 232000 step time: 00:00:00.369804 Performance: 35.702 ns/day 0.672 hours/ns 2.066 steps/s 2024-05-19 01:51:06,104 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 232000 46400 69.289 -28407 7594.2 -36001 -36001 6.7576 -9.1447 0.085557 4.4008e+05 2024-05-19 01:51:39,833 INFO [main.py:798]
{rank 0/64} MD step = 232100 step time: 00:00:00.356706 Performance: 35.705 ns/day 0.672 hours/ns 2.066 steps/s 2024-05-19 01:51:46,197 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 232100 46420 69.646 -28535 7633.3 -36168 -36168 6.759 -9.1473 0.085671 4.4024e+05 2024-05-19 01:52:20,762 INFO [main.py:798]
{rank 0/64} MD step = 232200 step time: 00:00:00.368377 Performance: 35.707 ns/day 0.672 hours/ns 2.066 steps/s 2024-05-19 01:52:26,815 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 232200 46440 70.231 -28363 7697.4 -36061 -36061 6.76 -9.1493 0.086824 4.4041e+05 2024-05-19 01:53:01,057 INFO [main.py:798]
{rank 0/64} MD step = 232300 step time: 00:00:00.341310 Performance: 35.710 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-19 01:53:08,239 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 232300 46460 69.925 -28353 7663.8 -36017 -36017 6.7624 -9.1509 0.088395 4.4061e+05 2024-05-19 01:53:42,662 INFO [main.py:798]
{rank 0/64} MD step = 232400 step time: 00:00:00.348544 Performance: 35.712 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-19 01:53:49,569 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 232400 46480 69.752 -28310 7644.9 -35955 -35955 6.7655 -9.1521 0.088995 4.4082e+05 2024-05-19 01:54:23,684 INFO [main.py:798]
{rank 0/64} MD step = 232500 step time: 00:00:00.348911 Performance: 35.715 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-19 01:54:32,277 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 232500 46500 71.023 -28167 7784.2 -35951 -35951 6.7687 -9.1543 0.088481 4.4103e+05 2024-05-19 01:55:07,417 INFO [main.py:798]
{rank 0/64} MD step = 232600 step time: 00:00:00.346634 Performance: 35.716 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-19 01:55:16,127 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 232600 46520 70.626 -28154 7740.6 -35895 -35895 6.772 -9.1546 0.088634 4.4122e+05 2024-05-19 01:55:50,669 INFO [main.py:798]
{rank 0/64} MD step = 232700 step time: 00:00:00.339950 Performance: 35.718 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-19 01:56:02,208 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 232700 46540 70.103 -28327 7683.3 -36011 -36011 6.7742 -9.1563 0.089281 4.4141e+05 2024-05-19 01:56:36,484 INFO [main.py:798]
{rank 0/64} MD step = 232800 step time: 00:00:00.350124 Performance: 35.718 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-19 01:56:49,448 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 232800 46560 69.366 -28537 7602.6 -36139 -36139 6.7789 -9.159 0.089376 4.4158e+05 2024-05-19 01:57:23,915 INFO [main.py:798]
{rank 0/64} MD step = 232900 step time: 00:00:00.341727 Performance: 35.719 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-19 01:57:34,880 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 232900 46580 69.811 -28378 7651.3 -36029 -36029 6.7821 -9.1605 0.087824 4.418e+05 2024-05-19 01:58:09,382 INFO [main.py:798]
{rank 0/64} MD step = 233000 step time: 00:00:00.345211 Performance: 35.720 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-19 01:58:18,338 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 233000 46600 69.838 -28336 7654.3 -35990 -35990 6.7866 -9.1614 0.087205 4.4198e+05 2024-05-19 01:58:53,400 INFO [main.py:798]
{rank 0/64} MD step = 233100 step time: 00:00:00.358106 Performance: 35.721 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-19 01:59:01,023 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 233100 46620 69.259 -28473 7590.9 -36064 -36064 6.7892 -9.1626 0.087005 4.4218e+05 2024-05-19 01:59:35,333 INFO [main.py:798]
{rank 0/64} MD step = 233200 step time: 00:00:00.344368 Performance: 35.723 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-19 01:59:43,350 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 233200 46640 71.254 -28305 7809.5 -36115 -36115 6.7918 -9.1648 0.087757 4.4233e+05 2024-05-19 02:00:17,483 INFO [main.py:798]
{rank 0/64} MD step = 233300 step time: 00:00:00.343884 Performance: 35.725 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-19 02:00:23,811 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 233300 46660 69.534 -28531 7621 -36152 -36152 6.7945 -9.1678 0.0885 4.4251e+05 2024-05-19 02:01:00,512 INFO [main.py:798]
{rank 0/64} MD step = 233400 step time: 00:00:00.354318 Performance: 35.727 ns/day 0.672 hours/ns 2.068 steps/s 2024-05-19 02:01:07,455 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 233400 46680 69.772 -28590 7647.1 -36237 -36237 6.798 -9.1705 0.09091 4.4266e+05 2024-05-19 02:01:43,065 INFO [main.py:798]
{rank 0/64} MD step = 233500 step time: 00:00:00.342655 Performance: 35.729 ns/day 0.672 hours/ns 2.068 steps/s 2024-05-19 02:02:02,227 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 233500 46700 70.209 -28402 7695 -36097 -36097 6.8007 -9.1712 0.089624 4.4291e+05 2024-05-19 02:02:35,997 INFO [main.py:798]
{rank 0/64} MD step = 233600 step time: 00:00:00.349946 Performance: 35.727 ns/day 0.672 hours/ns 2.068 steps/s 2024-05-19 02:02:42,450 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 233600 46720 70.421 -28410 7718.2 -36128 -36128 6.8032 -9.1718 0.088943 4.4306e+05 2024-05-19 02:03:19,409 INFO [main.py:798]
{rank 0/64} MD step = 233700 step time: 00:00:00.351096 Performance: 35.729 ns/day 0.672 hours/ns 2.068 steps/s 2024-05-19 02:03:31,823 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 233700 46740 69.617 -28472 7630.1 -36102 -36102 6.8056 -9.1743 0.090138 4.4325e+05 2024-05-19 02:04:07,640 INFO [main.py:798]
{rank 0/64} MD step = 233800 step time: 00:00:00.365198 Performance: 35.729 ns/day 0.672 hours/ns 2.068 steps/s 2024-05-19 02:04:25,269 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 233800 46760 70.069 -28532 7679.7 -36212 -36212 6.8058 -9.1745 0.091919 4.4341e+05 2024-05-19 02:05:02,071 INFO [main.py:798]
{rank 0/64} MD step = 233900 step time: 00:00:00.350499 Performance: 35.727 ns/day 0.672 hours/ns 2.068 steps/s 2024-05-19 02:05:11,173 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 233900 46780 69.915 -28473 7662.8 -36136 -36136 6.8097 -9.1752 0.093329 4.4358e+05 2024-05-19 02:05:45,689 INFO [main.py:798]
{rank 0/64} MD step = 234000 step time: 00:00:00.348521 Performance: 35.728 ns/day 0.672 hours/ns 2.068 steps/s 2024-05-19 02:06:04,097 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234000 46800 70.672 -28374 7745.8 -36120 -36120 6.8113 -9.1776 0.095253 4.4379e+05 2024-05-19 02:06:37,849 INFO [main.py:798]
{rank 0/64} MD step = 234100 step time: 00:00:00.360679 Performance: 35.727 ns/day 0.672 hours/ns 2.068 steps/s 2024-05-19 02:06:48,713 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234100 46820 70.26 -28413 7700.6 -36114 -36114 6.8144 -9.1796 0.097072 4.4398e+05 2024-05-19 02:07:23,044 INFO [main.py:798]
{rank 0/64} MD step = 234200 step time: 00:00:00.345718 Performance: 35.728 ns/day 0.672 hours/ns 2.068 steps/s 2024-05-19 02:07:36,515 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234200 46840 70.198 -28343 7693.8 -36037 -36037 6.8165 -9.1802 0.097701 4.4414e+05 2024-05-19 02:08:10,414 INFO [main.py:798]
{rank 0/64} MD step = 234300 step time: 00:00:00.347642 Performance: 35.728 ns/day 0.672 hours/ns 2.068 steps/s 2024-05-19 02:08:21,290 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234300 46860 70.514 -28371 7728.4 -36099 -36099 6.8188 -9.1817 0.09852 4.443e+05 2024-05-19 02:08:55,816 INFO [main.py:798]
{rank 0/64} MD step = 234400 step time: 00:00:00.346011 Performance: 35.729 ns/day 0.672 hours/ns 2.068 steps/s 2024-05-19 02:09:04,685 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234400 46880 70.825 -28373 7762.5 -36135 -36135 6.8209 -9.1837 0.097672 4.4448e+05 2024-05-19 02:09:39,465 INFO [main.py:798]
{rank 0/64} MD step = 234500 step time: 00:00:00.351167 Performance: 35.731 ns/day 0.672 hours/ns 2.068 steps/s 2024-05-19 02:09:49,256 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234500 46900 70.084 -28315 7681.3 -35996 -35996 6.8226 -9.1839 0.097263 4.4465e+05 2024-05-19 02:10:23,662 INFO [main.py:798]
{rank 0/64} MD step = 234600 step time: 00:00:00.357322 Performance: 35.732 ns/day 0.672 hours/ns 2.068 steps/s 2024-05-19 02:10:32,198 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234600 46920 70.064 -28140 7679.1 -35819 -35819 6.8235 -9.1859 0.096891 4.4488e+05 2024-05-19 02:11:08,292 INFO [main.py:798]
{rank 0/64} MD step = 234700 step time: 00:00:00.371679 Performance: 35.733 ns/day 0.672 hours/ns 2.068 steps/s 2024-05-19 02:11:16,054 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234700 46940 68.591 -28635 7517.6 -36153 -36153 6.8264 -9.1868 0.097777 4.4503e+05 2024-05-19 02:11:49,910 INFO [main.py:798]
{rank 0/64} MD step = 234800 step time: 00:00:00.335654 Performance: 35.736 ns/day 0.672 hours/ns 2.068 steps/s 2024-05-19 02:11:59,179 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234800 46960 69.565 -28492 7624.4 -36116 -36116 6.829 -9.1886 0.098082 4.4521e+05 2024-05-19 02:12:33,512 INFO [main.py:798]
{rank 0/64} MD step = 234900 step time: 00:00:00.354488 Performance: 35.737 ns/day 0.672 hours/ns 2.068 steps/s 2024-05-19 02:12:43,046 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234900 46980 69.921 -28418 7663.4 -36081 -36081 6.8305 -9.1912 0.098787 4.4542e+05 2024-05-19 02:13:18,110 INFO [main.py:798]
{rank 0/64} MD step = 235000 step time: 00:00:00.350455 Performance: 35.738 ns/day 0.672 hours/ns 2.068 steps/s 2024-05-19 02:13:28,668 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235000 47000 70.05 -28191 7677.6 -35869 -35869 6.8325 -9.1933 0.098291 4.4565e+05 2024-05-19 02:14:03,104 INFO [main.py:798]
{rank 0/64} MD step = 235100 step time: 00:00:00.329039 Performance: 35.739 ns/day 0.672 hours/ns 2.068 steps/s 2024-05-19 02:14:15,965 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235100 47020 70.298 -28346 7704.7 -36051 -36051 6.834 -9.1947 0.09951 4.4578e+05 2024-05-19 02:14:51,031 INFO [main.py:798]
{rank 0/64} MD step = 235200 step time: 00:00:00.352588 Performance: 35.739 ns/day 0.672 hours/ns 2.068 steps/s 2024-05-19 02:15:03,304 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235200 47040 70.322 -28468 7707.3 -36176 -36176 6.8359 -9.1973 0.099244 4.4593e+05 2024-05-19 02:15:37,564 INFO [main.py:798]
{rank 0/64} MD step = 235300 step time: 00:00:00.345663 Performance: 35.740 ns/day 0.672 hours/ns 2.068 steps/s 2024-05-19 02:15:50,570 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235300 47060 71.578 -28249 7845.1 -36094 -36094 6.8386 -9.1995 0.098463 4.4616e+05 2024-05-19 02:16:25,319 INFO [main.py:798]
{rank 0/64} MD step = 235400 step time: 00:00:00.338338 Performance: 35.740 ns/day 0.672 hours/ns 2.068 steps/s 2024-05-19 02:16:34,955 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235400 47080 69.966 -28269 7668.3 -35938 -35938 6.8426 -9.2017 0.098634 4.4637e+05 2024-05-19 02:17:09,173 INFO [main.py:798]
{rank 0/64} MD step = 235500 step time: 00:00:00.346527 Performance: 35.742 ns/day 0.671 hours/ns 2.068 steps/s 2024-05-19 02:17:22,458 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235500 47100 69.717 -28303 7641.1 -35944 -35944 6.8439 -9.2002 0.098253 4.4652e+05 2024-05-19 02:17:56,724 INFO [main.py:798]
{rank 0/64} MD step = 235600 step time: 00:00:00.346005 Performance: 35.742 ns/day 0.671 hours/ns 2.068 steps/s 2024-05-19 02:18:04,065 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235600 47120 70.096 -28254 7682.6 -35937 -35937 6.8454 -9.2003 0.09912 4.4673e+05 2024-05-19 02:18:38,348 INFO [main.py:798]
{rank 0/64} MD step = 235700 step time: 00:00:00.346248 Performance: 35.744 ns/day 0.671 hours/ns 2.069 steps/s 2024-05-19 02:18:48,384 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235700 47140 69.844 -28457 7654.9 -36112 -36112 6.85 -9.201 0.099853 4.4693e+05 2024-05-19 02:19:22,953 INFO [main.py:798]
{rank 0/64} MD step = 235800 step time: 00:00:00.340879 Performance: 35.745 ns/day 0.671 hours/ns 2.069 steps/s 2024-05-19 02:19:36,247 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235800 47160 69.913 -28507 7662.5 -36170 -36170 6.8513 -9.202 0.099367 4.4709e+05 2024-05-19 02:20:11,906 INFO [main.py:798]
{rank 0/64} MD step = 235900 step time: 00:00:00.348468 Performance: 35.745 ns/day 0.671 hours/ns 2.069 steps/s 2024-05-19 02:20:17,806 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235900 47180 69.811 -28419 7651.4 -36071 -36071 6.8547 -9.2048 0.098901 4.473e+05 2024-05-19 02:20:52,386 INFO [main.py:798]
{rank 0/64} MD step = 236000 step time: 00:00:00.351681 Performance: 35.747 ns/day 0.671 hours/ns 2.069 steps/s 2024-05-19 02:20:58,797 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 236000 47200 70.685 -28388 7747.1 -36135 -36135 6.8575 -9.2072 0.099891 4.4751e+05 2024-05-19 02:21:33,026 INFO [main.py:798]
{rank 0/64} MD step = 236100 step time: 00:00:00.349494 Performance: 35.750 ns/day 0.671 hours/ns 2.069 steps/s 2024-05-19 02:21:40,123 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 236100 47220 70.488 -28179 7725.5 -35904 -35904 6.8599 -9.2087 0.10027 4.4768e+05 2024-05-19 02:22:13,704 INFO [main.py:798]
{rank 0/64} MD step = 236200 step time: 00:00:00.340854 Performance: 35.752 ns/day 0.671 hours/ns 2.069 steps/s 2024-05-19 02:22:28,091 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 236200 47240 69.835 -28330 7654 -35984 -35984 6.8625 -9.2093 0.10093 4.4789e+05 2024-05-19 02:23:03,915 INFO [main.py:798]
{rank 0/64} MD step = 236300 step time: 00:00:00.331037 Performance: 35.752 ns/day 0.671 hours/ns 2.069 steps/s 2024-05-19 02:23:11,466 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 236300 47260 70.15 -28444 7688.6 -36133 -36133 6.865 -9.2095 0.10208 4.4807e+05 2024-05-19 02:23:45,453 INFO [main.py:798]
{rank 0/64} MD step = 236400 step time: 00:00:00.331924 Performance: 35.754 ns/day 0.671 hours/ns 2.069 steps/s 2024-05-19 02:23:53,764 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 236400 47280 70.788 -28470 7758.5 -36228 -36228 6.8683 -9.211 0.1026 4.4829e+05 2024-05-19 02:24:27,568 INFO [main.py:798]
{rank 0/64} MD step = 236500 step time: 00:00:00.347952 Performance: 35.756 ns/day 0.671 hours/ns 2.069 steps/s 2024-05-19 02:24:39,486 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 236500 47300 70.789 -28390 7758.6 -36149 -36149 6.8689 -9.2118 0.10359 4.4848e+05 2024-05-19 02:25:13,535 INFO [main.py:798]
{rank 0/64} MD step = 236600 step time: 00:00:00.346027 Performance: 35.756 ns/day 0.671 hours/ns 2.069 steps/s 2024-05-19 02:25:20,173 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 236600 47320 70.625 -28355 7740.6 -36095 -36095 6.8732 -9.2114 0.10536 4.4868e+05 2024-05-19 02:25:55,410 INFO [main.py:798]
{rank 0/64} MD step = 236700 step time: 00:00:00.351978 Performance: 35.758 ns/day 0.671 hours/ns 2.069 steps/s 2024-05-19 02:26:17,085 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 236700 47340 70.277 -28378 7702.4 -36081 -36081 6.8748 -9.2123 0.1053 4.4887e+05 2024-05-19 02:26:51,320 INFO [main.py:798]
{rank 0/64} MD step = 236800 step time: 00:00:00.348045 Performance: 35.756 ns/day 0.671 hours/ns 2.069 steps/s 2024-05-19 02:27:02,885 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 236800 47360 69.624 -28464 7630.9 -36095 -36095 6.8763 -9.213 0.1065 4.4906e+05 2024-05-19 02:27:37,140 INFO [main.py:798]
{rank 0/64} MD step = 236900 step time: 00:00:00.352151 Performance: 35.757 ns/day 0.671 hours/ns 2.069 steps/s 2024-05-19 02:27:53,917 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 236900 47380 69.433 -28627 7609.9 -36237 -36237 6.8765 -9.213 0.10738 4.4923e+05 2024-05-19 02:28:30,492 INFO [main.py:798]
{rank 0/64} MD step = 237000 step time: 00:00:00.369223 Performance: 35.755 ns/day 0.671 hours/ns 2.069 steps/s 2024-05-19 02:28:39,665 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 237000 47400 70.403 -28298 7716.2 -36015 -36015 6.8795 -9.2135 0.10873 4.4944e+05 2024-05-19 02:29:14,620 INFO [main.py:798]
{rank 0/64} MD step = 237100 step time: 00:00:00.337970 Performance: 35.757 ns/day 0.671 hours/ns 2.069 steps/s 2024-05-19 02:29:22,335 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 237100 47420 70.228 -28447 7697.1 -36144 -36144 6.8834 -9.2158 0.10749 4.4963e+05 2024-05-19 02:29:56,749 INFO [main.py:798]
{rank 0/64} MD step = 237200 step time: 00:00:00.345383 Performance: 35.758 ns/day 0.671 hours/ns 2.069 steps/s 2024-05-19 02:30:10,493 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 237200 47440 70.363 -28447 7711.9 -36159 -36159 6.8842 -9.2198 0.10786 4.4981e+05 2024-05-19 02:30:45,182 INFO [main.py:798]
{rank 0/64} MD step = 237300 step time: 00:00:00.344114 Performance: 35.758 ns/day 0.671 hours/ns 2.069 steps/s 2024-05-19 02:30:55,551 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 237300 47460 71.263 -28286 7810.5 -36096 -36096 6.8869 -9.2211 0.1076 4.5e+05 2024-05-19 02:31:30,066 INFO [main.py:798]
{rank 0/64} MD step = 237400 step time: 00:00:00.357547 Performance: 35.760 ns/day 0.671 hours/ns 2.069 steps/s 2024-05-19 02:31:38,293 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 237400 47480 70.659 -28364 7744.3 -36108 -36108 6.8885 -9.2217 0.10878 4.5019e+05 2024-05-19 02:32:12,664 INFO [main.py:798]
{rank 0/64} MD step = 237500 step time: 00:00:00.356026 Performance: 35.761 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-19 02:32:21,898 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 237500 47500 68.614 -28569 7520.2 -36089 -36089 6.8903 -9.2244 0.10919 4.5039e+05 2024-05-19 02:32:57,533 INFO [main.py:798]
{rank 0/64} MD step = 237600 step time: 00:00:00.373951 Performance: 35.762 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-19 02:33:06,716 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 237600 47520 69.759 -28343 7645.7 -35988 -35988 6.8933 -9.2239 0.11001 4.5059e+05 2024-05-19 02:33:40,476 INFO [main.py:798]
{rank 0/64} MD step = 237700 step time: 00:00:00.338636 Performance: 35.764 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-19 02:33:53,060 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 237700 47540 69.528 -28521 7620.4 -36141 -36141 6.8963 -9.2253 0.11073 4.5079e+05 2024-05-19 02:34:27,293 INFO [main.py:798]
{rank 0/64} MD step = 237800 step time: 00:00:00.350269 Performance: 35.765 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-19 02:34:46,446 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 237800 47560 70.185 -28455 7692.3 -36147 -36147 6.8994 -9.2258 0.10983 4.5096e+05 2024-05-19 02:35:21,414 INFO [main.py:798]
{rank 0/64} MD step = 237900 step time: 00:00:00.339614 Performance: 35.763 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-19 02:35:32,348 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 237900 47580 71.134 -28302 7796.3 -36099 -36099 6.902 -9.2271 0.10974 4.5115e+05 2024-05-19 02:36:09,755 INFO [main.py:798]
{rank 0/64} MD step = 238000 step time: 00:00:00.328786 Performance: 35.763 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-19 02:36:30,032 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238000 47600 70.421 -28432 7718.2 -36151 -36151 6.904 -9.2281 0.10919 4.5131e+05 2024-05-19 02:37:03,883 INFO [main.py:798]
{rank 0/64} MD step = 238100 step time: 00:00:00.353283 Performance: 35.761 ns/day 0.671 hours/ns 2.069 steps/s 2024-05-19 02:37:11,208 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238100 47620 70.453 -28483 7721.7 -36205 -36205 6.9055 -9.2295 0.10833 4.5153e+05 2024-05-19 02:37:45,510 INFO [main.py:798]
{rank 0/64} MD step = 238200 step time: 00:00:00.356742 Performance: 35.763 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-19 02:37:55,812 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238200 47640 70.73 -28486 7752.1 -36239 -36239 6.9062 -9.2287 0.10785 4.5169e+05 2024-05-19 02:38:30,715 INFO [main.py:798]
{rank 0/64} MD step = 238300 step time: 00:00:00.357917 Performance: 35.764 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-19 02:38:41,187 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238300 47660 69.961 -28408 7667.8 -36076 -36076 6.9086 -9.2297 0.10747 4.5193e+05 2024-05-19 02:39:14,772 INFO [main.py:798]
{rank 0/64} MD step = 238400 step time: 00:00:00.359162 Performance: 35.765 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-19 02:39:25,080 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238400 47680 70.245 -28356 7699 -36054 -36054 6.9105 -9.2322 0.10743 4.5213e+05 2024-05-19 02:39:59,672 INFO [main.py:798]
{rank 0/64} MD step = 238500 step time: 00:00:00.371742 Performance: 35.766 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-19 02:40:10,158 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238500 47700 70.41 -28381 7717 -36098 -36098 6.9151 -9.2343 0.10801 4.5233e+05 2024-05-19 02:40:46,420 INFO [main.py:798]
{rank 0/64} MD step = 238600 step time: 00:00:00.334188 Performance: 35.767 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-19 02:40:56,203 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238600 47720 69.583 -28411 7626.4 -36037 -36037 6.9176 -9.2354 0.10751 4.5251e+05 2024-05-19 02:41:30,569 INFO [main.py:798]
{rank 0/64} MD step = 238700 step time: 00:00:00.350920 Performance: 35.768 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-19 02:41:39,790 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238700 47740 69.526 -28409 7620.1 -36029 -36029 6.9205 -9.2363 0.10698 4.5271e+05 2024-05-19 02:42:13,888 INFO [main.py:798]
{rank 0/64} MD step = 238800 step time: 00:00:00.334673 Performance: 35.770 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-19 02:42:23,392 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238800 47760 69.316 -28556 7597.1 -36153 -36153 6.9232 -9.2388 0.10773 4.5291e+05 2024-05-19 02:42:57,740 INFO [main.py:798]
{rank 0/64} MD step = 238900 step time: 00:00:00.343527 Performance: 35.771 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-19 02:43:05,843 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238900 47780 69.928 -28440 7664.2 -36104 -36104 6.9262 -9.2416 0.10884 4.5313e+05 2024-05-19 02:43:40,872 INFO [main.py:798]
{rank 0/64} MD step = 239000 step time: 00:00:00.352476 Performance: 35.773 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-19 02:43:59,817 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 239000 47800 69.551 -28514 7622.9 -36137 -36137 6.929 -9.2446 0.1102 4.5332e+05 2024-05-19 02:44:34,236 INFO [main.py:798]
{rank 0/64} MD step = 239100 step time: 00:00:00.345344 Performance: 35.771 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-19 02:44:42,668 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 239100 47820 69.49 -28378 7616.2 -35994 -35994 6.9328 -9.2457 0.11128 4.535e+05 2024-05-19 02:45:17,577 INFO [main.py:798]
{rank 0/64} MD step = 239200 step time: 00:00:00.328826 Performance: 35.773 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-19 02:45:28,016 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 239200 47840 70.282 -28337 7703 -36040 -36040 6.9348 -9.2473 0.11123 4.5367e+05 2024-05-19 02:46:02,885 INFO [main.py:798]
{rank 0/64} MD step = 239300 step time: 00:00:00.331951 Performance: 35.774 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-19 02:46:16,266 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 239300 47860 70.298 -28504 7704.8 -36209 -36209 6.9377 -9.2482 0.11243 4.5385e+05 2024-05-19 02:46:50,793 INFO [main.py:798]
{rank 0/64} MD step = 239400 step time: 00:00:00.346633 Performance: 35.774 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-19 02:47:00,690 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 239400 47880 70.067 -28334 7679.5 -36014 -36014 6.94 -9.249 0.11288 4.5404e+05 2024-05-19 02:47:35,452 INFO [main.py:798]
{rank 0/64} MD step = 239500 step time: 00:00:00.334541 Performance: 35.775 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-19 02:47:45,744 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 239500 47900 69.791 -28429 7649.2 -36078 -36078 6.9434 -9.2505 0.11306 4.5423e+05 2024-05-19 02:48:20,249 INFO [main.py:798]
{rank 0/64} MD step = 239600 step time: 00:00:00.370135 Performance: 35.776 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-19 02:48:36,933 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 239600 47920 70.156 -28237 7689.2 -35926 -35926 6.9455 -9.2514 0.11326 4.5443e+05 2024-05-19 02:49:11,617 INFO [main.py:798]
{rank 0/64} MD step = 239700 step time: 00:00:00.347774 Performance: 35.775 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-19 02:49:30,303 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 239700 47940 69.877 -28282 7658.6 -35941 -35941 6.9476 -9.2523 0.11343 4.546e+05 2024-05-19 02:50:07,397 INFO [main.py:798]
{rank 0/64} MD step = 239800 step time: 00:00:00.355985 Performance: 35.773 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-19 02:50:17,026 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 239800 47960 71.039 -28049 7786 -35835 -35835 6.9499 -9.2522 0.11729 4.548e+05 2024-05-19 02:50:51,458 INFO [main.py:798]
{rank 0/64} MD step = 239900 step time: 00:00:00.327441 Performance: 35.774 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-19 02:51:05,892 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 239900 47980 70.219 -28227 7696.1 -35923 -35923 6.9517 -9.2547 0.11871 4.5497e+05 2024-05-19 02:51:40,264 INFO [main.py:798]
{rank 0/64} MD step = 240000 step time: 00:00:00.351949 Performance: 35.774 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-19 02:51:52,907 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240000 48000 69.629 -28466 7631.4 -36098 -36098 6.9539 -9.2557 0.11643 4.5512e+05 2024-05-19 02:52:28,132 INFO [main.py:798]
{rank 0/64} MD step = 240100 step time: 00:00:00.368967 Performance: 35.774 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-19 02:52:51,230 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240100 48020 70.316 -28341 7706.7 -36047 -36047 6.9562 -9.2574 0.11646 4.5528e+05 2024-05-19 02:53:26,401 INFO [main.py:798]
{rank 0/64} MD step = 240200 step time: 00:00:00.355051 Performance: 35.771 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-19 02:53:36,705 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240200 48040 69.985 -28356 7670.4 -36026 -36026 6.9595 -9.2576 0.11856 4.5549e+05 2024-05-19 02:54:11,789 INFO [main.py:798]
{rank 0/64} MD step = 240300 step time: 00:00:00.357137 Performance: 35.772 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-19 02:54:21,367 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240300 48060 69.935 -28484 7665 -36149 -36149 6.961 -9.2585 0.11926 4.5565e+05 2024-05-19 02:54:59,535 INFO [main.py:798]
{rank 0/64} MD step = 240400 step time: 00:00:00.329909 Performance: 35.772 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-19 02:55:09,653 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240400 48080 70.431 -28344 7719.3 -36063 -36063 6.9632 -9.2582 0.11785 4.5587e+05 2024-05-19 02:55:43,554 INFO [main.py:798]
{rank 0/64} MD step = 240500 step time: 00:00:00.345338 Performance: 35.773 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-19 02:55:55,014 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240500 48100 70.154 -28348 7689 -36037 -36037 6.966 -9.2579 0.117 4.5606e+05 2024-05-19 02:56:29,512 INFO [main.py:798]
{rank 0/64} MD step = 240600 step time: 00:00:00.342123 Performance: 35.774 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-19 02:56:35,475 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240600 48120 69.363 -28180 7602.3 -35782 -35782 6.9699 -9.2591 0.11822 4.5628e+05 2024-05-19 02:57:08,941 INFO [main.py:798]
{rank 0/64} MD step = 240700 step time: 00:00:00.325812 Performance: 35.777 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-19 02:57:17,611 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240700 48140 69.736 -28210 7643.2 -35853 -35853 6.9726 -9.2599 0.12039 4.5646e+05 2024-05-19 02:57:52,646 INFO [main.py:798]
{rank 0/64} MD step = 240800 step time: 00:00:00.335269 Performance: 35.778 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-19 02:57:58,228 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240800 48160 69.92 -28406 7663.3 -36070 -36070 6.975 -9.2612 0.12115 4.5666e+05 2024-05-19 02:58:32,896 INFO [main.py:798]
{rank 0/64} MD step = 240900 step time: 00:00:00.331847 Performance: 35.781 ns/day 0.671 hours/ns 2.071 steps/s 2024-05-19 02:58:39,974 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240900 48180 70.142 -28419 7687.6 -36106 -36106 6.9762 -9.2611 0.121 4.5683e+05 2024-05-19 02:59:16,066 INFO [main.py:798]
{rank 0/64} MD step = 241000 step time: 00:00:00.348190 Performance: 35.782 ns/day 0.671 hours/ns 2.071 steps/s 2024-05-19 02:59:22,858 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 241000 48200 69.556 -28531 7623.5 -36155 -36155 6.9787 -9.2618 0.1226 4.5703e+05 2024-05-19 02:59:57,144 INFO [main.py:798]
{rank 0/64} MD step = 241100 step time: 00:00:00.353628 Performance: 35.784 ns/day 0.671 hours/ns 2.071 steps/s 2024-05-19 03:00:03,377 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 241100 48220 71.189 -28297 7802.4 -36100 -36100 6.9812 -9.263 0.12374 4.5725e+05 2024-05-19 03:00:38,441 INFO [main.py:798]
{rank 0/64} MD step = 241200 step time: 00:00:00.346955 Performance: 35.787 ns/day 0.671 hours/ns 2.071 steps/s 2024-05-19 03:00:43,734 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 241200 48240 70.049 -28436 7677.5 -36114 -36114 6.9843 -9.2657 0.12359 4.5744e+05 2024-05-19 03:01:18,400 INFO [main.py:798]
{rank 0/64} MD step = 241300 step time: 00:00:00.351790 Performance: 35.789 ns/day 0.671 hours/ns 2.071 steps/s 2024-05-19 03:01:25,719 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 241300 48260 69.639 -28507 7632.6 -36139 -36139 6.9882 -9.2674 0.1243 4.5764e+05 2024-05-19 03:02:00,184 INFO [main.py:798]
{rank 0/64} MD step = 241400 step time: 00:00:00.352164 Performance: 35.791 ns/day 0.671 hours/ns 2.071 steps/s 2024-05-19 03:02:06,225 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 241400 48280 70.896 -28140 7770.2 -35910 -35910 6.991 -9.2671 0.12465 4.5788e+05 2024-05-19 03:02:41,646 INFO [main.py:798]
{rank 0/64} MD step = 241500 step time: 00:00:00.345002 Performance: 35.793 ns/day 0.671 hours/ns 2.071 steps/s 2024-05-19 03:02:45,801 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 241500 48300 70.442 -28216 7720.5 -35937 -35937 6.9918 -9.2692 0.1261 4.5807e+05 2024-05-19 03:03:21,603 INFO [main.py:798]
{rank 0/64} MD step = 241600 step time: 00:00:00.376955 Performance: 35.796 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-19 03:03:31,088 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 241600 48320 70.552 -28176 7732.6 -35909 -35909 6.9931 -9.2696 0.12707 4.5826e+05 2024-05-19 03:04:05,002 INFO [main.py:798]
{rank 0/64} MD step = 241700 step time: 00:00:00.352344 Performance: 35.797 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-19 03:04:12,178 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 241700 48340 70.474 -28190 7724.1 -35914 -35914 6.9955 -9.2697 0.12637 4.5842e+05 2024-05-19 03:04:46,564 INFO [main.py:798]
{rank 0/64} MD step = 241800 step time: 00:00:00.340333 Performance: 35.799 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-19 03:04:54,842 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 241800 48360 70.05 -28430 7677.6 -36107 -36107 6.9968 -9.2693 0.12789 4.586e+05 2024-05-19 03:05:29,331 INFO [main.py:798]
{rank 0/64} MD step = 241900 step time: 00:00:00.337800 Performance: 35.801 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-19 03:05:37,268 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 241900 48380 70.588 -28294 7736.5 -36030 -36030 6.9985 -9.2699 0.12892 4.588e+05 2024-05-19 03:06:13,870 INFO [main.py:798]
{rank 0/64} MD step = 242000 step time: 00:00:00.347599 Performance: 35.802 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-19 03:06:35,451 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242000 48400 70.178 -28478 7691.6 -36170 -36170 7.0026 -9.2709 0.12978 4.5898e+05 2024-05-19 03:07:10,316 INFO [main.py:798]
{rank 0/64} MD step = 242100 step time: 00:00:00.350754 Performance: 35.800 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-19 03:07:21,511 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242100 48420 69.532 -28483 7620.8 -36104 -36104 7.0063 -9.2715 0.1301 4.5918e+05 2024-05-19 03:07:55,814 INFO [main.py:798]
{rank 0/64} MD step = 242200 step time: 00:00:00.325677 Performance: 35.800 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-19 03:08:04,228 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242200 48440 71.011 -28278 7782.9 -36061 -36061 7.0087 -9.2732 0.13041 4.5937e+05 2024-05-19 03:08:39,326 INFO [main.py:798]
{rank 0/64} MD step = 242300 step time: 00:00:00.325994 Performance: 35.802 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-19 03:08:48,862 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242300 48460 70.179 -28417 7691.7 -36109 -36109 7.0116 -9.2732 0.13094 4.5956e+05 2024-05-19 03:09:25,550 INFO [main.py:798]
{rank 0/64} MD step = 242400 step time: 00:00:00.349217 Performance: 35.803 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-19 03:09:36,962 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242400 48480 70.654 -28305 7743.8 -36049 -36049 7.0144 -9.2737 0.13245 4.5978e+05 2024-05-19 03:10:10,930 INFO [main.py:798]
{rank 0/64} MD step = 242500 step time: 00:00:00.350525 Performance: 35.803 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-19 03:10:21,459 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242500 48500 69.16 -28631 7580 -36211 -36211 7.0151 -9.2744 0.13328 4.5992e+05 2024-05-19 03:10:55,556 INFO [main.py:798]
{rank 0/64} MD step = 242600 step time: 00:00:00.350796 Performance: 35.805 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-19 03:11:04,030 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242600 48520 70.07 -28437 7679.8 -36117 -36117 7.0159 -9.2729 0.1337 4.6011e+05 2024-05-19 03:11:38,032 INFO [main.py:798]
{rank 0/64} MD step = 242700 step time: 00:00:00.325965 Performance: 35.806 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-19 03:11:46,890 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242700 48540 69.82 -28312 7652.4 -35964 -35964 7.0179 -9.2729 0.13426 4.6029e+05 2024-05-19 03:12:20,790 INFO [main.py:798]
{rank 0/64} MD step = 242800 step time: 00:00:00.353245 Performance: 35.808 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-19 03:12:32,824 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242800 48560 70.348 -28260 7710.2 -35970 -35970 7.0185 -9.2725 0.13521 4.6049e+05 2024-05-19 03:13:06,681 INFO [main.py:798]
{rank 0/64} MD step = 242900 step time: 00:00:00.355273 Performance: 35.809 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-19 03:13:14,040 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242900 48580 70.091 -28450 7682 -36132 -36132 7.0198 -9.2723 0.13536 4.6063e+05 2024-05-19 03:13:48,582 INFO [main.py:798]
{rank 0/64} MD step = 243000 step time: 00:00:00.352492 Performance: 35.811 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-19 03:13:54,749 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243000 48600 71.028 -28263 7784.7 -36048 -36048 7.0231 -9.2725 0.13711 4.6084e+05 2024-05-19 03:14:31,519 INFO [main.py:798]
{rank 0/64} MD step = 243100 step time: 00:00:00.343702 Performance: 35.812 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-19 03:14:40,528 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243100 48620 70.239 -28332 7698.3 -36031 -36031 7.0259 -9.272 0.1365 4.6101e+05 2024-05-19 03:15:14,484 INFO [main.py:798]
{rank 0/64} MD step = 243200 step time: 00:00:00.344833 Performance: 35.814 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-19 03:15:23,321 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243200 48640 70.08 -28462 7680.9 -36143 -36143 7.0285 -9.271 0.13734 4.6121e+05 2024-05-19 03:15:57,850 INFO [main.py:798]
{rank 0/64} MD step = 243300 step time: 00:00:00.353905 Performance: 35.815 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-19 03:16:07,199 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243300 48660 70.195 -28323 7693.4 -36016 -36016 7.0326 -9.2721 0.13845 4.614e+05 2024-05-19 03:16:42,067 INFO [main.py:798]
{rank 0/64} MD step = 243400 step time: 00:00:00.353976 Performance: 35.817 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-19 03:16:50,200 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243400 48680 69.884 -28461 7659.4 -36120 -36120 7.0346 -9.2729 0.13907 4.616e+05 2024-05-19 03:17:24,196 INFO [main.py:798]
{rank 0/64} MD step = 243500 step time: 00:00:00.335912 Performance: 35.818 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-19 03:17:33,865 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243500 48700 69.716 -28494 7641 -36135 -36135 7.0367 -9.2739 0.13879 4.6175e+05 2024-05-19 03:18:08,014 INFO [main.py:798]
{rank 0/64} MD step = 243600 step time: 00:00:00.340237 Performance: 35.820 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-19 03:18:18,864 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243600 48720 70.462 -28456 7722.7 -36179 -36179 7.038 -9.2758 0.13835 4.6193e+05 2024-05-19 03:18:52,765 INFO [main.py:798]
{rank 0/64} MD step = 243700 step time: 00:00:00.331669 Performance: 35.821 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-19 03:19:03,441 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243700 48740 71.046 -28324 7786.7 -36111 -36111 7.0404 -9.2757 0.13867 4.6214e+05 2024-05-19 03:19:37,976 INFO [main.py:798]
{rank 0/64} MD step = 243800 step time: 00:00:00.330816 Performance: 35.822 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-19 03:19:50,347 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243800 48760 69.274 -28530 7592.6 -36122 -36122 7.0423 -9.2763 0.13894 4.6232e+05 2024-05-19 03:20:24,966 INFO [main.py:798]
{rank 0/64} MD step = 243900 step time: 00:00:00.366286 Performance: 35.822 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-19 03:20:41,674 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243900 48780 70.211 -28285 7695.2 -35980 -35980 7.0437 -9.2777 0.13991 4.6252e+05 2024-05-19 03:21:15,782 INFO [main.py:798]
{rank 0/64} MD step = 244000 step time: 00:00:00.356582 Performance: 35.821 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-19 03:21:27,932 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 244000 48800 70.139 -28450 7687.3 -36137 -36137 7.0458 -9.2785 0.14164 4.627e+05 2024-05-19 03:22:02,097 INFO [main.py:798]
{rank 0/64} MD step = 244100 step time: 00:00:00.352828 Performance: 35.822 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-19 03:22:11,781 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 244100 48820 70.249 -28403 7699.4 -36103 -36103 7.0477 -9.2788 0.14318 4.6292e+05 2024-05-19 03:22:45,978 INFO [main.py:798]
{rank 0/64} MD step = 244200 step time: 00:00:00.347017 Performance: 35.823 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-19 03:22:54,322 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 244200 48840 70.234 -28441 7697.8 -36139 -36139 7.0516 -9.28 0.14321 4.631e+05 2024-05-19 03:23:28,441 INFO [main.py:798]
{rank 0/64} MD step = 244300 step time: 00:00:00.338641 Performance: 35.825 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-19 03:23:41,621 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 244300 48860 70.802 -28480 7760 -36240 -36240 7.0525 -9.2821 0.1458 4.6325e+05 2024-05-19 03:24:15,940 INFO [main.py:798]
{rank 0/64} MD step = 244400 step time: 00:00:00.359743 Performance: 35.825 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-19 03:24:25,141 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 244400 48880 70.589 -28374 7736.7 -36111 -36111 7.056 -9.2816 0.14679 4.6347e+05 2024-05-19 03:24:59,153 INFO [main.py:798]
{rank 0/64} MD step = 244500 step time: 00:00:00.347963 Performance: 35.827 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-19 03:25:04,020 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 244500 48900 71.476 -28364 7833.9 -36198 -36198 7.0584 -9.283 0.14684 4.6362e+05 2024-05-19 03:25:40,586 INFO [main.py:798]
{rank 0/64} MD step = 244600 step time: 00:00:00.349521 Performance: 35.829 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-19 03:25:48,434 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 244600 48920 70.679 -28443 7746.5 -36190 -36190 7.0607 -9.2817 0.14765 4.6379e+05 2024-05-19 03:26:22,614 INFO [main.py:798]
{rank 0/64} MD step = 244700 step time: 00:00:00.351469 Performance: 35.831 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-19 03:26:29,911 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 244700 48940 70.317 -28366 7706.8 -36073 -36073 7.063 -9.2826 0.14991 4.6401e+05 2024-05-19 03:27:04,859 INFO [main.py:798]
{rank 0/64} MD step = 244800 step time: 00:00:00.369234 Performance: 35.833 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-19 03:27:11,123 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 244800 48960 70.398 -28339 7715.7 -36055 -36055 7.0676 -9.2828 0.15016 4.642e+05 2024-05-19 03:27:45,238 INFO [main.py:798]
{rank 0/64} MD step = 244900 step time: 00:00:00.348626 Performance: 35.835 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-19 03:27:51,484 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 244900 48980 70.408 -28408 7716.8 -36125 -36125 7.0711 -9.285 0.15193 4.6435e+05 2024-05-19 03:28:25,987 INFO [main.py:798]
{rank 0/64} MD step = 245000 step time: 00:00:00.350894 Performance: 35.837 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-19 03:28:31,911 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 245000 49000 71.096 -28359 7792.2 -36151 -36151 7.0725 -9.2855 0.1515 4.6454e+05 2024-05-19 03:29:06,580 INFO [main.py:798]
{rank 0/64} MD step = 245100 step time: 00:00:00.375211 Performance: 35.840 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-19 03:29:13,865 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 245100 49020 70.297 -28597 7704.7 -36301 -36301 7.0765 -9.2853 0.15253 4.6469e+05 2024-05-19 03:29:47,757 INFO [main.py:798]
{rank 0/64} MD step = 245200 step time: 00:00:00.325922 Performance: 35.842 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-19 03:29:53,703 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 245200 49040 70.234 -28358 7697.7 -36056 -36056 7.0785 -9.2867 0.15215 4.6494e+05 2024-05-19 03:30:27,246 INFO [main.py:798]
{rank 0/64} MD step = 245300 step time: 00:00:00.352240 Performance: 35.844 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-19 03:30:43,978 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 245300 49060 69.289 -28693 7594.1 -36287 -36287 7.0829 -9.2877 0.15117 4.6507e+05 2024-05-19 03:31:17,481 INFO [main.py:798]
{rank 0/64} MD step = 245400 step time: 00:00:00.347470 Performance: 35.844 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-19 03:31:23,764 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 245400 49080 68.852 -28691 7546.3 -36238 -36238 7.0874 -9.2879 0.15144 4.6529e+05 2024-05-19 03:31:58,584 INFO [main.py:798]
{rank 0/64} MD step = 245500 step time: 00:00:00.350093 Performance: 35.846 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-19 03:32:06,010 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 245500 49100 69.846 -28539 7655.2 -36194 -36194 7.0914 -9.2875 0.15188 4.6547e+05 2024-05-19 03:32:40,559 INFO [main.py:798]
{rank 0/64} MD step = 245600 step time: 00:00:00.354476 Performance: 35.848 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-19 03:32:54,652 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 245600 49120 70.611 -28457 7739 -36196 -36196 7.0953 -9.2869 0.15037 4.6564e+05 2024-05-19 03:33:28,856 INFO [main.py:798]
{rank 0/64} MD step = 245700 step time: 00:00:00.343576 Performance: 35.848 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-19 03:33:37,335 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 245700 49140 69.417 -28539 7608.2 -36147 -36147 7.0996 -9.2872 0.15119 4.6583e+05 2024-05-19 03:34:11,754 INFO [main.py:798]
{rank 0/64} MD step = 245800 step time: 00:00:00.344370 Performance: 35.849 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-19 03:34:18,697 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 245800 49160 70.059 -28445 7678.6 -36124 -36124 7.1021 -9.2877 0.15197 4.6607e+05 2024-05-19 03:34:53,787 INFO [main.py:798]
{rank 0/64} MD step = 245900 step time: 00:00:00.362630 Performance: 35.851 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-19 03:35:02,377 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 245900 49180 70.457 -28525 7722.2 -36247 -36247 7.1046 -9.2884 0.15273 4.6623e+05 2024-05-19 03:35:36,807 INFO [main.py:798]
{rank 0/64} MD step = 246000 step time: 00:00:00.352672 Performance: 35.853 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-19 03:35:43,554 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246000 49200 69.523 -28582 7619.8 -36202 -36202 7.1079 -9.2892 0.15381 4.6644e+05 2024-05-19 03:36:18,691 INFO [main.py:798]
{rank 0/64} MD step = 246100 step time: 00:00:00.353515 Performance: 35.855 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-19 03:36:33,312 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246100 49220 69.872 -28383 7658 -36041 -36041 7.1134 -9.2882 0.15544 4.6663e+05 2024-05-19 03:37:07,831 INFO [main.py:798]
{rank 0/64} MD step = 246200 step time: 00:00:00.331689 Performance: 35.854 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-19 03:37:14,687 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246200 49240 70.66 -28279 7744.4 -36023 -36023 7.1173 -9.2902 0.15755 4.6686e+05 2024-05-19 03:37:49,062 INFO [main.py:798]
{rank 0/64} MD step = 246300 step time: 00:00:00.329321 Performance: 35.856 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-19 03:37:55,708 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246300 49260 69.367 -28482 7602.8 -36085 -36085 7.1219 -9.2919 0.15976 4.6706e+05 2024-05-19 03:38:30,867 INFO [main.py:798]
{rank 0/64} MD step = 246400 step time: 00:00:00.326901 Performance: 35.858 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-19 03:38:35,251 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246400 49280 69.311 -28548 7596.6 -36144 -36144 7.1257 -9.2916 0.16294 4.6722e+05 2024-05-19 03:39:12,040 INFO [main.py:798]
{rank 0/64} MD step = 246500 step time: 00:00:00.329407 Performance: 35.860 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-19 03:39:22,093 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246500 49300 70.528 -28187 7730 -35917 -35917 7.129 -9.2915 0.1638 4.674e+05 2024-05-19 03:39:56,069 INFO [main.py:798]
{rank 0/64} MD step = 246600 step time: 00:00:00.325761 Performance: 35.862 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-19 03:40:13,180 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246600 49320 69.097 -28405 7573.1 -35978 -35978 7.1324 -9.2932 0.16262 4.6762e+05 2024-05-19 03:40:47,759 INFO [main.py:798]
{rank 0/64} MD step = 246700 step time: 00:00:00.349723 Performance: 35.861 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-19 03:40:58,857 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246700 49340 69.039 -28495 7566.8 -36062 -36062 7.1374 -9.2936 0.16348 4.6777e+05 2024-05-19 03:41:33,097 INFO [main.py:798]
{rank 0/64} MD step = 246800 step time: 00:00:00.352341 Performance: 35.862 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-19 03:41:43,877 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246800 49360 69.647 -28515 7633.4 -36148 -36148 7.1412 -9.2939 0.16367 4.6793e+05 2024-05-19 03:42:18,107 INFO [main.py:798]
{rank 0/64} MD step = 246900 step time: 00:00:00.349303 Performance: 35.863 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-19 03:42:33,294 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246900 49380 68.822 -28606 7543 -36149 -36149 7.1462 -9.2959 0.16393 4.6812e+05 2024-05-19 03:43:09,223 INFO [main.py:798]
{rank 0/64} MD step = 247000 step time: 00:00:00.371924 Performance: 35.862 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-19 03:43:22,726 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247000 49400 69.644 -28340 7633.1 -35973 -35973 7.1488 -9.2965 0.16447 4.6837e+05 2024-05-19 03:43:57,617 INFO [main.py:798]
{rank 0/64} MD step = 247100 step time: 00:00:00.343990 Performance: 35.862 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-19 03:44:10,999 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247100 49420 69.143 -28402 7578.1 -35980 -35980 7.1511 -9.297 0.16599 4.6856e+05 2024-05-19 03:44:46,045 INFO [main.py:798]
{rank 0/64} MD step = 247200 step time: 00:00:00.351848 Performance: 35.861 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-19 03:44:57,734 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247200 49440 68.674 -28487 7526.8 -36013 -36013 7.1551 -9.2973 0.16626 4.6877e+05 2024-05-19 03:45:31,656 INFO [main.py:798]
{rank 0/64} MD step = 247300 step time: 00:00:00.349193 Performance: 35.862 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-19 03:45:44,201 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247300 49460 70.645 -28428 7742.8 -36170 -36170 7.1577 -9.2988 0.16725 4.6895e+05 2024-05-19 03:46:18,635 INFO [main.py:798]
{rank 0/64} MD step = 247400 step time: 00:00:00.348470 Performance: 35.863 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-19 03:46:29,105 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247400 49480 69.903 -28530 7661.4 -36191 -36191 7.1604 -9.2997 0.16904 4.6913e+05 2024-05-19 03:47:04,466 INFO [main.py:798]
{rank 0/64} MD step = 247500 step time: 00:00:00.368927 Performance: 35.863 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-19 03:47:16,680 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247500 49500 70.652 -28513 7743.6 -36257 -36257 7.1622 -9.2991 0.16839 4.6932e+05 2024-05-19 03:47:51,658 INFO [main.py:798]
{rank 0/64} MD step = 247600 step time: 00:00:00.326216 Performance: 35.864 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-19 03:47:58,942 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247600 49520 70.536 -28427 7730.9 -36157 -36157 7.1636 -9.2983 0.17 4.6952e+05 2024-05-19 03:48:34,060 INFO [main.py:798]
{rank 0/64} MD step = 247700 step time: 00:00:00.335957 Performance: 35.865 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-19 03:48:42,692 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247700 49540 69.435 -28465 7610.1 -36075 -36075 7.1659 -9.2976 0.17247 4.6972e+05 2024-05-19 03:49:18,481 INFO [main.py:798]
{rank 0/64} MD step = 247800 step time: 00:00:00.327880 Performance: 35.866 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-19 03:49:26,470 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247800 49560 69.648 -28565 7633.5 -36199 -36199 7.1672 -9.298 0.17454 4.6988e+05 2024-05-19 03:50:01,639 INFO [main.py:798]
{rank 0/64} MD step = 247900 step time: 00:00:00.333790 Performance: 35.868 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-19 03:50:09,931 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247900 49580 70.321 -28529 7707.2 -36237 -36237 7.1695 -9.2982 0.17464 4.7008e+05 2024-05-19 03:50:45,213 INFO [main.py:798]
{rank 0/64} MD step = 248000 step time: 00:00:00.341666 Performance: 35.869 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-19 03:50:56,122 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248000 49600 69.56 -28622 7623.9 -36246 -36246 7.1722 -9.2993 0.1749 4.7027e+05 2024-05-19 03:51:30,308 INFO [main.py:798]
{rank 0/64} MD step = 248100 step time: 00:00:00.348468 Performance: 35.870 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-19 03:51:38,285 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248100 49620 69.675 -28665 7636.4 -36301 -36301 7.1753 -9.3003 0.17407 4.7046e+05 2024-05-19 03:52:13,247 INFO [main.py:798]
{rank 0/64} MD step = 248200 step time: 00:00:00.349163 Performance: 35.872 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-19 03:52:21,462 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248200 49640 69.693 -28525 7638.5 -36163 -36163 7.1766 -9.3011 0.1742 4.7066e+05 2024-05-19 03:52:56,253 INFO [main.py:798]
{rank 0/64} MD step = 248300 step time: 00:00:00.374925 Performance: 35.873 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-19 03:53:07,246 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248300 49660 69.958 -28625 7667.5 -36292 -36292 7.1781 -9.302 0.17553 4.7083e+05 2024-05-19 03:53:41,021 INFO [main.py:798]
{rank 0/64} MD step = 248400 step time: 00:00:00.354136 Performance: 35.874 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-19 03:53:51,265 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248400 49680 70.166 -28499 7690.3 -36189 -36189 7.1814 -9.3044 0.17656 4.7104e+05 2024-05-19 03:54:25,507 INFO [main.py:798]
{rank 0/64} MD step = 248500 step time: 00:00:00.347087 Performance: 35.876 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-19 03:54:37,794 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248500 49700 70.768 -28465 7756.2 -36221 -36221 7.1847 -9.3049 0.17648 4.7125e+05 2024-05-19 03:55:12,216 INFO [main.py:798]
{rank 0/64} MD step = 248600 step time: 00:00:00.341774 Performance: 35.876 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-19 03:55:33,515 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248600 49720 69.428 -28568 7609.4 -36178 -36178 7.1864 -9.3057 0.17496 4.7145e+05 2024-05-19 03:56:10,202 INFO [main.py:798]
{rank 0/64} MD step = 248700 step time: 00:00:00.335593 Performance: 35.873 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-19 03:56:34,318 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248700 49740 69.495 -28613 7616.8 -36229 -36229 7.1884 -9.3052 0.17668 4.7166e+05 2024-05-19 03:57:08,118 INFO [main.py:798]
{rank 0/64} MD step = 248800 step time: 00:00:00.350400 Performance: 35.870 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-19 03:57:20,218 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248800 49760 69.779 -28591 7647.8 -36238 -36238 7.1911 -9.3057 0.17718 4.7183e+05 2024-05-19 03:57:55,399 INFO [main.py:798]
{rank 0/64} MD step = 248900 step time: 00:00:00.353426 Performance: 35.870 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-19 03:58:06,519 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248900 49780 70.593 -28369 7737 -36106 -36106 7.1932 -9.3067 0.17841 4.7203e+05 2024-05-19 03:58:40,346 INFO [main.py:798]
{rank 0/64} MD step = 249000 step time: 00:00:00.351848 Performance: 35.871 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-19 03:58:50,363 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249000 49800 70.464 -28629 7723 -36352 -36352 7.1953 -9.3078 0.18037 4.7219e+05 2024-05-19 03:59:25,568 INFO [main.py:798]
{rank 0/64} MD step = 249100 step time: 00:00:00.344177 Performance: 35.872 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-19 03:59:33,405 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249100 49820 68.444 -28587 7501.5 -36088 -36088 7.1979 -9.308 0.18182 4.7241e+05 2024-05-19 04:00:10,729 INFO [main.py:798]
{rank 0/64} MD step = 249200 step time: 00:00:00.366758 Performance: 35.873 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-19 04:00:18,318 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249200 49840 68.949 -28563 7556.9 -36120 -36120 7.2014 -9.3092 0.18321 4.726e+05 2024-05-19 04:00:53,144 INFO [main.py:798]
{rank 0/64} MD step = 249300 step time: 00:00:00.353606 Performance: 35.875 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-19 04:01:01,672 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249300 49860 68.437 -28468 7500.8 -35969 -35969 7.2058 -9.3104 0.18329 4.7283e+05 2024-05-19 04:01:35,949 INFO [main.py:798]
{rank 0/64} MD step = 249400 step time: 00:00:00.358460 Performance: 35.876 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-19 04:01:45,571 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249400 49880 70.351 -28318 7710.6 -36029 -36029 7.2111 -9.311 0.18294 4.73e+05 2024-05-19 04:02:20,037 INFO [main.py:798]
{rank 0/64} MD step = 249500 step time: 00:00:00.354016 Performance: 35.878 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-19 04:02:27,521 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249500 49900 69.535 -28484 7621.2 -36106 -36106 7.2156 -9.3112 0.18369 4.7318e+05 2024-05-19 04:03:01,981 INFO [main.py:798]
{rank 0/64} MD step = 249600 step time: 00:00:00.349307 Performance: 35.880 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-19 04:03:11,946 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249600 49920 69.256 -28517 7590.5 -36108 -36108 7.2173 -9.3106 0.18672 4.734e+05 2024-05-19 04:03:45,113 INFO [main.py:798]
{rank 0/64} MD step = 249700 step time: 00:00:00.357738 Performance: 35.881 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-19 04:03:50,341 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249700 49940 69.682 -28580 7637.2 -36218 -36218 7.2206 -9.3128 0.18686 4.7358e+05 2024-05-19 04:04:27,799 INFO [main.py:798]
{rank 0/64} MD step = 249800 step time: 00:00:00.348215 Performance: 35.883 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-19 04:04:35,114 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249800 49960 70.81 -28240 7760.8 -36001 -36001 7.2218 -9.3134 0.18873 4.7379e+05 2024-05-19 04:05:08,848 INFO [main.py:798]
{rank 0/64} MD step = 249900 step time: 00:00:00.348391 Performance: 35.885 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-19 04:05:14,903 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249900 49980 70.579 -28371 7735.5 -36107 -36107 7.2243 -9.3138 0.18855 4.7399e+05 2024-05-19 04:05:51,255 INFO [main.py:798]
{rank 0/64} MD step = 250000 step time: 00:00:00.352920 Performance: 35.887 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-19 04:05:59,475 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 250000 50000 70.404 -28115 7716.4 -35831 -35831 7.2279 -9.3158 0.19031 4.7422e+05 2024-05-19 04:06:34,292 INFO [main.py:798]
{rank 0/64} MD step = 250100 step time: 00:00:00.344308 Performance: 35.888 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-19 04:06:41,455 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 250100 50020 69.507 -28469 7618 -36087 -36087 7.2308 -9.317 0.19218 4.7436e+05 2024-05-19 04:07:15,475 INFO [main.py:798]
{rank 0/64} MD step = 250200 step time: 00:00:00.339674 Performance: 35.890 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-19 04:07:21,521 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 250200 50040 69.453 -28364 7612.1 -35976 -35976 7.2339 -9.3164 0.19252 4.7456e+05 2024-05-19 04:07:55,791 INFO [main.py:798]
{rank 0/64} MD step = 250300 step time: 00:00:00.343532 Performance: 35.892 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-19 04:08:02,201 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 250300 50060 70.264 -28374 7701 -36075 -36075 7.2356 -9.3162 0.19333 4.7468e+05 2024-05-19 04:08:36,586 INFO [main.py:798]
{rank 0/64} MD step = 250400 step time: 00:00:00.347624 Performance: 35.895 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-19 04:08:42,197 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 250400 50080 70.511 -28341 7728.1 -36069 -36069 7.2357 -9.3192 0.19376 4.7487e+05 2024-05-19 04:09:16,797 INFO [main.py:798]
{rank 0/64} MD step = 250500 step time: 00:00:00.350056 Performance: 35.897 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-19 04:09:32,163 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 250500 50100 70.398 -28321 7715.8 -36037 -36037 7.239 -9.3213 0.19376 4.7504e+05 2024-05-19 04:10:06,367 INFO [main.py:798]
{rank 0/64} MD step = 250600 step time: 00:00:00.347604 Performance: 35.897 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-19 04:10:16,733 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 250600 50120 69.091 -28338 7572.4 -35910 -35910 7.2405 -9.323 0.19527 4.7527e+05 2024-05-19 04:10:51,078 INFO [main.py:798]
{rank 0/64} MD step = 250700 step time: 00:00:00.355456 Performance: 35.898 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-19 04:10:59,278 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 250700 50140 69.13 -28397 7576.8 -35973 -35973 7.2454 -9.3238 0.195 4.7546e+05 2024-05-19 04:11:35,755 INFO [main.py:798]
{rank 0/64} MD step = 250800 step time: 00:00:00.345272 Performance: 35.899 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-19 04:11:49,748 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 250800 50160 69.693 -28421 7638.4 -36060 -36060 7.2493 -9.3232 0.19666 4.7566e+05 2024-05-19 04:12:24,946 INFO [main.py:798]
{rank 0/64} MD step = 250900 step time: 00:00:00.337713 Performance: 35.898 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-19 04:12:35,777 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 250900 50180 70.399 -28376 7715.8 -36092 -36092 7.2535 -9.324 0.19673 4.7584e+05 2024-05-19 04:13:10,082 INFO [main.py:798]
{rank 0/64} MD step = 251000 step time: 00:00:00.352237 Performance: 35.899 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-19 04:13:22,245 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 251000 50200 69.923 -28346 7663.6 -36010 -36010 7.2575 -9.3244 0.19882 4.7605e+05 2024-05-19 04:13:56,336 INFO [main.py:798]
{rank 0/64} MD step = 251100 step time: 00:00:00.345025 Performance: 35.900 ns/day 0.669 hours/ns 2.078 steps/s 2024-05-19 04:14:06,130 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 251100 50220 70.971 -28310 7778.5 -36089 -36089 7.2601 -9.3258 0.19853 4.7623e+05 2024-05-19 04:14:40,129 INFO [main.py:798]
{rank 0/64} MD step = 251200 step time: 00:00:00.348829 Performance: 35.901 ns/day 0.669 hours/ns 2.078 steps/s 2024-05-19 04:14:49,687 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 251200 50240 69.671 -28558 7636.1 -36194 -36194 7.2631 -9.3269 0.19826 4.764e+05 2024-05-19 04:15:23,830 INFO [main.py:798]
{rank 0/64} MD step = 251300 step time: 00:00:00.350891 Performance: 35.902 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-19 04:15:35,784 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 251300 50260 69.671 -28373 7636 -36009 -36009 7.2641 -9.3261 0.19992 4.7662e+05 2024-05-19 04:16:12,003 INFO [main.py:798]
{rank 0/64} MD step = 251400 step time: 00:00:00.366860 Performance: 35.902 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-19 04:16:22,884 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 251400 50280 70.126 -28317 7685.9 -36003 -36003 7.2654 -9.3268 0.20181 4.7679e+05 2024-05-19 04:16:57,108 INFO [main.py:798]
{rank 0/64} MD step = 251500 step time: 00:00:00.334815 Performance: 35.903 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-19 04:17:08,006 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 251500 50300 68.716 -28507 7531.3 -36038 -36038 7.2678 -9.3268 0.20294 4.77e+05 2024-05-19 04:17:42,570 INFO [main.py:798]
{rank 0/64} MD step = 251600 step time: 00:00:00.327685 Performance: 35.904 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-19 04:17:49,912 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 251600 50320 70.086 -28326 7681.5 -36007 -36007 7.2705 -9.328 0.20367 4.7721e+05 2024-05-19 04:18:24,918 INFO [main.py:798]
{rank 0/64} MD step = 251700 step time: 00:00:00.355003 Performance: 35.906 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-19 04:18:34,220 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 251700 50340 69.518 -28523 7619.2 -36142 -36142 7.2734 -9.3311 0.20359 4.7741e+05 2024-05-19 04:19:09,106 INFO [main.py:798]
{rank 0/64} MD step = 251800 step time: 00:00:00.345816 Performance: 35.907 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-19 04:19:17,248 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 251800 50360 70.169 -28331 7690.6 -36022 -36022 7.2766 -9.3323 0.20354 4.7757e+05 2024-05-19 04:19:51,647 INFO [main.py:798]
{rank 0/64} MD step = 251900 step time: 00:00:00.335970 Performance: 35.909 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-19 04:20:00,363 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 251900 50380 71.092 -28117 7791.8 -35909 -35909 7.2789 -9.3327 0.20373 4.7777e+05 2024-05-19 04:20:34,278 INFO [main.py:798]
{rank 0/64} MD step = 252000 step time: 00:00:00.338178 Performance: 35.910 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-19 04:20:44,154 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 252000 50400 69.443 -28458 7611 -36069 -36069 7.283 -9.3342 0.20534 4.7792e+05 2024-05-19 04:21:18,638 INFO [main.py:798]
{rank 0/64} MD step = 252100 step time: 00:00:00.346124 Performance: 35.911 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-19 04:21:31,531 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 252100 50420 70.479 -28269 7724.6 -35993 -35993 7.2862 -9.3347 0.2063 4.7813e+05 2024-05-19 04:22:06,654 INFO [main.py:798]
{rank 0/64} MD step = 252200 step time: 00:00:00.349797 Performance: 35.911 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-19 04:22:21,431 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 252200 50440 69.519 -28573 7619.4 -36193 -36193 7.2887 -9.3362 0.20846 4.7827e+05 2024-05-19 04:22:55,470 INFO [main.py:798]
{rank 0/64} MD step = 252300 step time: 00:00:00.326607 Performance: 35.911 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-19 04:23:05,541 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 252300 50460 70.128 -28333 7686.2 -36019 -36019 7.2938 -9.3371 0.20904 4.7849e+05 2024-05-19 04:23:39,822 INFO [main.py:798]
{rank 0/64} MD step = 252400 step time: 00:00:00.328541 Performance: 35.912 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-19 04:23:48,871 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 252400 50480 69.442 -28533 7610.9 -36144 -36144 7.2963 -9.3375 0.21162 4.7868e+05 2024-05-19 04:24:24,695 INFO [main.py:798]
{rank 0/64} MD step = 252500 step time: 00:00:00.359658 Performance: 35.913 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-19 04:24:32,706 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 252500 50500 70.334 -28349 7708.6 -36058 -36058 7.2987 -9.3367 0.21275 4.7884e+05 2024-05-19 04:25:09,664 INFO [main.py:798]
{rank 0/64} MD step = 252600 step time: 00:00:00.337822 Performance: 35.914 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-19 04:25:18,686 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 252600 50520 70.02 -28389 7674.3 -36064 -36064 7.3007 -9.3381 0.21342 4.7902e+05 2024-05-19 04:25:53,006 INFO [main.py:798]
{rank 0/64} MD step = 252700 step time: 00:00:00.351583 Performance: 35.916 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-19 04:26:09,360 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 252700 50540 71.567 -28427 7843.8 -36271 -36271 7.3038 -9.3393 0.2138 4.7921e+05 2024-05-19 04:26:43,501 INFO [main.py:798]
{rank 0/64} MD step = 252800 step time: 00:00:00.344865 Performance: 35.915 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-19 04:26:56,310 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 252800 50560 69.393 -28348 7605.6 -35954 -35954 7.3052 -9.3396 0.21531 4.794e+05 2024-05-19 04:27:30,411 INFO [main.py:798]
{rank 0/64} MD step = 252900 step time: 00:00:00.352915 Performance: 35.915 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-19 04:27:42,690 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 252900 50580 69.636 -28494 7632.1 -36126 -36126 7.3063 -9.3392 0.21555 4.7957e+05 2024-05-19 04:28:16,968 INFO [main.py:798]
{rank 0/64} MD step = 253000 step time: 00:00:00.347477 Performance: 35.916 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-19 04:28:23,370 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 253000 50600 69.19 -28413 7583.4 -35997 -35997 7.3083 -9.3402 0.21721 4.7977e+05 2024-05-19 04:29:02,084 INFO [main.py:798]
{rank 0/64} MD step = 253100 step time: 00:00:00.373988 Performance: 35.917 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-19 04:29:13,083 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 253100 50620 69.981 -28435 7670 -36105 -36105 7.3093 -9.3414 0.21881 4.7996e+05 2024-05-19 04:29:47,612 INFO [main.py:798]
{rank 0/64} MD step = 253200 step time: 00:00:00.341562 Performance: 35.917 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-19 04:29:55,641 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 253200 50640 70.046 -28431 7677.2 -36108 -36108 7.3139 -9.3418 0.2178 4.8012e+05 2024-05-19 04:30:33,668 INFO [main.py:798]
{rank 0/64} MD step = 253300 step time: 00:00:00.327594 Performance: 35.918 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-19 04:30:44,848 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 253300 50660 69.617 -28411 7630.1 -36041 -36041 7.3173 -9.3434 0.21712 4.8033e+05 2024-05-19 04:31:19,471 INFO [main.py:798]
{rank 0/64} MD step = 253400 step time: 00:00:00.326878 Performance: 35.919 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-19 04:31:31,056 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 253400 50680 69.91 -28375 7662.2 -36037 -36037 7.3194 -9.3441 0.2174 4.8052e+05 2024-05-19 04:32:06,274 INFO [main.py:798]
{rank 0/64} MD step = 253500 step time: 00:00:00.347807 Performance: 35.919 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-19 04:32:18,915 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 253500 50700 69.931 -28328 7664.5 -35993 -35993 7.3235 -9.3427 0.21955 4.807e+05 2024-05-19 04:32:53,200 INFO [main.py:798]
{rank 0/64} MD step = 253600 step time: 00:00:00.352400 Performance: 35.919 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-19 04:33:03,345 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 253600 50720 70.179 -28407 7691.8 -36099 -36099 7.3256 -9.3434 0.22154 4.8085e+05 2024-05-19 04:33:37,786 INFO [main.py:798]
{rank 0/64} MD step = 253700 step time: 00:00:00.358387 Performance: 35.920 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-19 04:33:46,844 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 253700 50740 71.125 -28496 7795.4 -36292 -36292 7.3264 -9.3443 0.22276 4.8099e+05 2024-05-19 04:34:22,325 INFO [main.py:798]
{rank 0/64} MD step = 253800 step time: 00:00:00.358790 Performance: 35.921 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-19 04:34:31,898 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 253800 50760 70.678 -28390 7746.4 -36137 -36137 7.3271 -9.345 0.22424 4.8121e+05 2024-05-19 04:35:07,875 INFO [main.py:798]
{rank 0/64} MD step = 253900 step time: 00:00:00.370487 Performance: 35.922 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-19 04:35:20,001 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 253900 50780 69.165 -28441 7580.6 -36022 -36022 7.3302 -9.3453 0.22491 4.8142e+05 2024-05-19 04:35:54,219 INFO [main.py:798]
{rank 0/64} MD step = 254000 step time: 00:00:00.340570 Performance: 35.923 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-19 04:36:03,872 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254000 50800 70.542 -28193 7731.5 -35925 -35925 7.3325 -9.3461 0.22455 4.8159e+05 2024-05-19 04:36:37,482 INFO [main.py:798]
{rank 0/64} MD step = 254100 step time: 00:00:00.336243 Performance: 35.924 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-19 04:36:45,144 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254100 50820 69.057 -28473 7568.7 -36042 -36042 7.3343 -9.3451 0.22594 4.8177e+05 2024-05-19 04:37:19,515 INFO [main.py:798]
{rank 0/64} MD step = 254200 step time: 00:00:00.347198 Performance: 35.926 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-19 04:37:27,156 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254200 50840 70.91 -28264 7771.8 -36035 -36035 7.3378 -9.3461 0.22579 4.8195e+05 2024-05-19 04:38:01,612 INFO [main.py:798]
{rank 0/64} MD step = 254300 step time: 00:00:00.345541 Performance: 35.928 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-19 04:38:09,340 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254300 50860 70.147 -28363 7688.2 -36051 -36051 7.3384 -9.3466 0.22772 4.8215e+05 2024-05-19 04:38:44,104 INFO [main.py:798]
{rank 0/64} MD step = 254400 step time: 00:00:00.342656 Performance: 35.929 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-19 04:39:30,984 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254400 50880 70.828 -28246 7762.9 -36009 -36009 7.3394 -9.3461 0.22897 4.8235e+05 2024-05-19 04:40:04,992 INFO [main.py:798]
{rank 0/64} MD step = 254500 step time: 00:00:00.360862 Performance: 35.920 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-19 04:40:18,636 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254500 50900 69.818 -28519 7652.2 -36171 -36171 7.3412 -9.3475 0.23081 4.8254e+05 2024-05-19 04:40:52,956 INFO [main.py:798]
{rank 0/64} MD step = 254600 step time: 00:00:00.338806 Performance: 35.920 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-19 04:41:03,855 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254600 50920 70.891 -28289 7769.7 -36059 -36059 7.3424 -9.3475 0.23118 4.8273e+05 2024-05-19 04:41:37,777 INFO [main.py:798]
{rank 0/64} MD step = 254700 step time: 00:00:00.343355 Performance: 35.921 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-19 04:42:11,082 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254700 50940 69.991 -28430 7671.1 -36101 -36101 7.3434 -9.3477 0.2314 4.8294e+05 2024-05-19 04:42:45,799 INFO [main.py:798]
{rank 0/64} MD step = 254800 step time: 00:00:00.367547 Performance: 35.915 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-19 04:42:58,750 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254800 50960 69.486 -28483 7615.7 -36099 -36099 7.3481 -9.3481 0.23268 4.831e+05 2024-05-19 04:43:32,683 INFO [main.py:798]
{rank 0/64} MD step = 254900 step time: 00:00:00.340304 Performance: 35.915 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-19 04:43:42,139 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254900 50980 69.758 -28385 7645.6 -36031 -36031 7.3504 -9.3484 0.23186 4.8327e+05 2024-05-19 04:44:16,116 INFO [main.py:798]
{rank 0/64} MD step = 255000 step time: 00:00:00.326920 Performance: 35.917 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-19 04:44:22,385 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 255000 51000 70.857 -28285 7766.1 -36051 -36051 7.3511 -9.3484 0.23316 4.8352e+05 2024-05-19 04:44:57,088 INFO [main.py:798]
{rank 0/64} MD step = 255100 step time: 00:00:00.329638 Performance: 35.919 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-19 04:45:12,790 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 255100 51020 70.478 -28222 7724.5 -35946 -35946 7.3547 -9.3487 0.23457 4.8372e+05 2024-05-19 04:45:48,874 INFO [main.py:798]
{rank 0/64} MD step = 255200 step time: 00:00:00.348353 Performance: 35.918 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-19 04:45:56,754 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 255200 51040 70.054 -28291 7678 -35969 -35969 7.359 -9.3503 0.23527 4.8389e+05 2024-05-19 04:46:31,617 INFO [main.py:798]
{rank 0/64} MD step = 255300 step time: 00:00:00.357043 Performance: 35.919 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-19 04:46:38,966 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 255300 51060 68.972 -28426 7559.4 -35985 -35985 7.3616 -9.3501 0.23695 4.8407e+05 2024-05-19 04:47:13,185 INFO [main.py:798]
{rank 0/64} MD step = 255400 step time: 00:00:00.345585 Performance: 35.921 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-19 04:47:18,436 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 255400 51080 69.764 -28551 7646.3 -36198 -36198 7.3657 -9.3489 0.2367 4.8422e+05 2024-05-19 04:47:52,172 INFO [main.py:798]
{rank 0/64} MD step = 255500 step time: 00:00:00.328673 Performance: 35.924 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-19 04:47:57,554 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 255500 51100 70.067 -28455 7679.5 -36135 -36135 7.3697 -9.3491 0.23723 4.844e+05 2024-05-19 04:48:32,258 INFO [main.py:798]
{rank 0/64} MD step = 255600 step time: 00:00:00.331158 Performance: 35.926 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-19 04:48:39,426 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 255600 51120 70.196 -28301 7693.6 -35995 -35995 7.3727 -9.3494 0.2383 4.8463e+05 2024-05-19 04:49:14,080 INFO [main.py:798]
{rank 0/64} MD step = 255700 step time: 00:00:00.329525 Performance: 35.928 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-19 04:49:23,596 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 255700 51140 70.109 -28204 7684.1 -35888 -35888 7.375 -9.3512 0.2394 4.8481e+05 2024-05-19 04:49:57,748 INFO [main.py:798]
{rank 0/64} MD step = 255800 step time: 00:00:00.368561 Performance: 35.929 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-19 04:50:03,329 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 255800 51160 69.434 -28221 7610 -35831 -35831 7.377 -9.3515 0.24038 4.8501e+05 2024-05-19 04:50:38,131 INFO [main.py:798]
{rank 0/64} MD step = 255900 step time: 00:00:00.328178 Performance: 35.931 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-19 04:50:42,407 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 255900 51180 69.884 -28262 7659.3 -35921 -35921 7.3808 -9.351 0.23999 4.852e+05 2024-05-19 04:51:17,173 INFO [main.py:798]
{rank 0/64} MD step = 256000 step time: 00:00:00.339130 Performance: 35.934 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-19 04:51:24,190 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256000 51200 70.543 -28305 7731.6 -36037 -36037 7.3841 -9.3527 0.24116 4.8539e+05 2024-05-19 04:51:58,640 INFO [main.py:798]
{rank 0/64} MD step = 256100 step time: 00:00:00.363273 Performance: 35.936 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-19 04:52:05,059 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256100 51220 70.494 -28258 7726.3 -35984 -35984 7.3892 -9.3534 0.2422 4.8562e+05 2024-05-19 04:52:39,504 INFO [main.py:798]
{rank 0/64} MD step = 256200 step time: 00:00:00.348928 Performance: 35.938 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-19 04:52:44,885 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256200 51240 68.66 -28292 7525.2 -35817 -35817 7.3903 -9.3555 0.24431 4.8584e+05 2024-05-19 04:53:19,107 INFO [main.py:798]
{rank 0/64} MD step = 256300 step time: 00:00:00.346226 Performance: 35.941 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-19 04:53:26,011 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256300 51260 71.029 -28143 7784.9 -35928 -35928 7.3942 -9.3566 0.24439 4.8598e+05 2024-05-19 04:53:59,966 INFO [main.py:798]
{rank 0/64} MD step = 256400 step time: 00:00:00.343256 Performance: 35.943 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-19 04:54:12,289 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256400 51280 69.365 -28446 7602.5 -36049 -36049 7.3979 -9.3566 0.24597 4.8614e+05 2024-05-19 04:54:46,727 INFO [main.py:798]
{rank 0/64} MD step = 256500 step time: 00:00:00.353638 Performance: 35.943 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-19 04:54:51,221 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256500 51300 70.858 -28227 7766.1 -35994 -35994 7.4008 -9.3551 0.24738 4.8633e+05 2024-05-19 04:55:27,274 INFO [main.py:798]
{rank 0/64} MD step = 256600 step time: 00:00:00.348529 Performance: 35.945 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-19 04:55:33,266 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256600 51320 70.052 -28181 7677.8 -35859 -35859 7.4032 -9.3554 0.24733 4.865e+05 2024-05-19 04:56:07,358 INFO [main.py:798]
{rank 0/64} MD step = 256700 step time: 00:00:00.354512 Performance: 35.948 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-19 04:56:18,308 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256700 51340 70.543 -28370 7731.6 -36101 -36101 7.4053 -9.3566 0.24826 4.8667e+05 2024-05-19 04:56:52,670 INFO [main.py:798]
{rank 0/64} MD step = 256800 step time: 00:00:00.353449 Performance: 35.948 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-19 04:57:02,455 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256800 51360 70.354 -28351 7710.9 -36061 -36061 7.4081 -9.3576 0.25015 4.8688e+05 2024-05-19 04:57:37,265 INFO [main.py:798]
{rank 0/64} MD step = 256900 step time: 00:00:00.352270 Performance: 35.949 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-19 04:58:00,332 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256900 51380 69.199 -28420 7584.3 -36004 -36004 7.4099 -9.3592 0.25146 4.8705e+05 2024-05-19 04:58:36,754 INFO [main.py:798]
{rank 0/64} MD step = 257000 step time: 00:00:00.371167 Performance: 35.946 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-19 04:58:42,944 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257000 51400 69.542 -28416 7621.9 -36038 -36038 7.4116 -9.3592 0.25167 4.8725e+05 2024-05-19 04:59:17,063 INFO [main.py:798]
{rank 0/64} MD step = 257100 step time: 00:00:00.350461 Performance: 35.948 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-19 04:59:25,632 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257100 51420 70.198 -28507 7693.8 -36200 -36200 7.4136 -9.3614 0.2508 4.8742e+05 2024-05-19 04:59:59,961 INFO [main.py:798]
{rank 0/64} MD step = 257200 step time: 00:00:00.341376 Performance: 35.950 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-19 05:00:07,959 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257200 51440 70.928 -28286 7773.9 -36060 -36060 7.4171 -9.3621 0.24931 4.8763e+05 2024-05-19 05:00:42,131 INFO [main.py:798]
{rank 0/64} MD step = 257300 step time: 00:00:00.342733 Performance: 35.952 ns/day 0.668 hours/ns 2.081 steps/s 2024-05-19 05:00:47,237 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257300 51460 70.047 -28530 7677.3 -36208 -36208 7.4186 -9.3638 0.2515 4.8779e+05 2024-05-19 05:01:21,357 INFO [main.py:798]
{rank 0/64} MD step = 257400 step time: 00:00:00.355346 Performance: 35.954 ns/day 0.668 hours/ns 2.081 steps/s 2024-05-19 05:01:31,162 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257400 51480 69.459 -28566 7612.8 -36178 -36178 7.4215 -9.3634 0.25314 4.8798e+05 2024-05-19 05:02:05,803 INFO [main.py:798]
{rank 0/64} MD step = 257500 step time: 00:00:00.338532 Performance: 35.955 ns/day 0.667 hours/ns 2.081 steps/s 2024-05-19 05:02:12,543 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257500 51500 68.939 -28546 7555.8 -36102 -36102 7.4255 -9.3657 0.2546 4.8816e+05 2024-05-19 05:02:47,440 INFO [main.py:798]
{rank 0/64} MD step = 257600 step time: 00:00:00.353659 Performance: 35.957 ns/day 0.667 hours/ns 2.081 steps/s 2024-05-19 05:02:53,118 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257600 51520 70.506 -28306 7727.5 -36033 -36033 7.4281 -9.3678 0.25299 4.8838e+05 2024-05-19 05:03:27,359 INFO [main.py:798]
{rank 0/64} MD step = 257700 step time: 00:00:00.336618 Performance: 35.959 ns/day 0.667 hours/ns 2.081 steps/s 2024-05-19 05:03:33,042 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257700 51540 70.537 -28324 7730.9 -36055 -36055 7.4311 -9.3686 0.2506 4.886e+05 2024-05-19 05:04:07,606 INFO [main.py:798]
{rank 0/64} MD step = 257800 step time: 00:00:00.337816 Performance: 35.962 ns/day 0.667 hours/ns 2.081 steps/s 2024-05-19 05:04:12,997 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257800 51560 70.007 -28246 7672.9 -35919 -35919 7.4334 -9.369 0.25189 4.8881e+05 2024-05-19 05:04:47,024 INFO [main.py:798]
{rank 0/64} MD step = 257900 step time: 00:00:00.343394 Performance: 35.964 ns/day 0.667 hours/ns 2.081 steps/s 2024-05-19 05:04:53,648 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257900 51580 70.432 -28387 7719.4 -36106 -36106 7.4363 -9.3692 0.2522 4.8899e+05 2024-05-19 05:05:28,412 INFO [main.py:798]
{rank 0/64} MD step = 258000 step time: 00:00:00.373796 Performance: 35.966 ns/day 0.667 hours/ns 2.081 steps/s 2024-05-19 05:05:34,191 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 258000 51600 70.202 -28179 7694.2 -35873 -35873 7.4413 -9.3701 0.25299 4.892e+05 2024-05-19 05:06:08,369 INFO [main.py:798]
{rank 0/64} MD step = 258100 step time: 00:00:00.337513 Performance: 35.968 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-19 05:06:13,851 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 258100 51620 69.609 -28318 7629.3 -35948 -35948 7.4438 -9.3718 0.25453 4.8934e+05 2024-05-19 05:06:48,258 INFO [main.py:798]
{rank 0/64} MD step = 258200 step time: 00:00:00.351965 Performance: 35.971 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-19 05:07:07,849 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 258200 51640 70.073 -28124 7680.1 -35804 -35804 7.4463 -9.3715 0.25534 4.8958e+05 2024-05-19 05:07:43,566 INFO [main.py:798]
{rank 0/64} MD step = 258300 step time: 00:00:00.371172 Performance: 35.969 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-19 05:07:53,459 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 258300 51660 70.263 -28362 7700.9 -36063 -36063 7.45 -9.3717 0.25584 4.8973e+05 2024-05-19 05:08:27,796 INFO [main.py:798]
{rank 0/64} MD step = 258400 step time: 00:00:00.348907 Performance: 35.970 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-19 05:08:37,794 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 258400 51680 69.843 -28389 7654.8 -36043 -36043 7.4539 -9.3721 0.25638 4.8994e+05 2024-05-19 05:09:10,672 INFO [main.py:798]
{rank 0/64} MD step = 258500 step time: 00:00:00.342065 Performance: 35.971 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-19 05:09:17,216 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 258500 51700 69.645 -28415 7633.2 -36048 -36048 7.4555 -9.3734 0.25707 4.9014e+05 2024-05-19 05:09:53,116 INFO [main.py:798]
{rank 0/64} MD step = 258600 step time: 00:00:00.372115 Performance: 35.973 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-19 05:10:00,009 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 258600 51720 71.195 -28278 7803.1 -36081 -36081 7.4591 -9.3739 0.25699 4.9031e+05 2024-05-19 05:10:33,956 INFO [main.py:798]
{rank 0/64} MD step = 258700 step time: 00:00:00.349384 Performance: 35.975 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-19 05:10:59,772 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 258700 51740 69.707 -28146 7640 -35786 -35786 7.463 -9.3743 0.25945 4.9055e+05 2024-05-19 05:11:36,118 INFO [main.py:798]
{rank 0/64} MD step = 258800 step time: 00:00:00.331338 Performance: 35.971 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-19 05:11:43,607 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 258800 51760 69.703 -28358 7639.5 -35998 -35998 7.4654 -9.3759 0.26022 4.9072e+05 2024-05-19 05:12:18,144 INFO [main.py:798]
{rank 0/64} MD step = 258900 step time: 00:00:00.326438 Performance: 35.973 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-19 05:12:39,846 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 258900 51780 71.181 -28128 7801.5 -35929 -35929 7.469 -9.3777 0.25996 4.9095e+05 2024-05-19 05:13:13,827 INFO [main.py:798]
{rank 0/64} MD step = 259000 step time: 00:00:00.354843 Performance: 35.970 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-19 05:13:18,784 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 259000 51800 69.9 -28460 7661.2 -36121 -36121 7.4729 -9.3781 0.25986 4.9108e+05 2024-05-19 05:13:53,669 INFO [main.py:798]
{rank 0/64} MD step = 259100 step time: 00:00:00.347437 Performance: 35.973 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-19 05:14:00,468 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 259100 51820 69.932 -28314 7664.6 -35979 -35979 7.4753 -9.3783 0.26014 4.9126e+05 2024-05-19 05:14:34,425 INFO [main.py:798]
{rank 0/64} MD step = 259200 step time: 00:00:00.351592 Performance: 35.975 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-19 05:14:41,476 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 259200 51840 69.99 -28347 7670.9 -36018 -36018 7.4769 -9.3785 0.26055 4.915e+05 2024-05-19 05:15:15,857 INFO [main.py:798]
{rank 0/64} MD step = 259300 step time: 00:00:00.340022 Performance: 35.977 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-19 05:15:22,231 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 259300 51860 70.835 -28284 7763.6 -36048 -36048 7.4786 -9.3787 0.2619 4.9168e+05 2024-05-19 05:15:57,320 INFO [main.py:798]
{rank 0/64} MD step = 259400 step time: 00:00:00.358537 Performance: 35.979 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-19 05:16:02,473 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 259400 51880 69.4 -28383 7606.3 -35989 -35989 7.4794 -9.3772 0.26127 4.9185e+05 2024-05-19 05:16:36,712 INFO [main.py:798]
{rank 0/64} MD step = 259500 step time: 00:00:00.342994 Performance: 35.981 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-19 05:16:43,855 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 259500 51900 71.286 -28168 7813.1 -35981 -35981 7.4822 -9.3783 0.26211 4.9204e+05 2024-05-19 05:17:17,971 INFO [main.py:798]
{rank 0/64} MD step = 259600 step time: 00:00:00.354952 Performance: 35.983 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-19 05:17:23,295 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 259600 51920 70.517 -28317 7728.8 -36046 -36046 7.4851 -9.3785 0.26234 4.9222e+05 2024-05-19 05:17:59,176 INFO [main.py:798]
{rank 0/64} MD step = 259700 step time: 00:00:00.354256 Performance: 35.985 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-19 05:18:05,835 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 259700 51940 69.329 -28354 7598.5 -35953 -35953 7.4864 -9.3811 0.26137 4.9242e+05 2024-05-19 05:18:40,397 INFO [main.py:798]
{rank 0/64} MD step = 259800 step time: 00:00:00.350552 Performance: 35.987 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-19 05:18:45,999 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 259800 51960 71.093 -28358 7791.9 -36150 -36150 7.4905 -9.3834 0.26327 4.9261e+05 2024-05-19 05:19:20,165 INFO [main.py:798]
{rank 0/64} MD step = 259900 step time: 00:00:00.349163 Performance: 35.989 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-19 05:19:25,663 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 259900 51980 69.661 -28465 7635 -36100 -36100 7.4945 -9.383 0.26169 4.9278e+05 2024-05-19 05:19:59,770 INFO [main.py:798]
{rank 0/64} MD step = 260000 step time: 00:00:00.347689 Performance: 35.992 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-19 05:20:05,062 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 260000 52000 68.999 -28474 7562.3 -36037 -36037 7.4988 -9.3832 0.26211 4.9301e+05 2024-05-19 05:20:40,475 INFO [main.py:798]
{rank 0/64} MD step = 260100 step time: 00:00:00.346526 Performance: 35.994 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-19 05:20:46,127 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 260100 52020 68.923 -28393 7554.1 -35947 -35947 7.5028 -9.3825 0.26162 4.9324e+05 2024-05-19 05:21:20,720 INFO [main.py:798]
{rank 0/64} MD step = 260200 step time: 00:00:00.340286 Performance: 35.996 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-19 05:21:24,706 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 260200 52040 70.607 -28441 7738.6 -36179 -36179 7.5027 -9.3843 0.26372 4.9346e+05 2024-05-19 05:21:59,755 INFO [main.py:798]
{rank 0/64} MD step = 260300 step time: 00:00:00.357977 Performance: 35.999 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-19 05:22:06,176 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 260300 52060 70.043 -28519 7676.8 -36196 -36196 7.5028 -9.3847 0.26448 4.9368e+05 2024-05-19 05:22:39,840 INFO [main.py:798]
{rank 0/64} MD step = 260400 step time: 00:00:00.341873 Performance: 36.001 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-19 05:22:46,891 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 260400 52080 69.818 -28340 7652.2 -35992 -35992 7.5045 -9.3838 0.26276 4.9386e+05 2024-05-19 05:23:20,999 INFO [main.py:798]
{rank 0/64} MD step = 260500 step time: 00:00:00.332469 Performance: 36.003 ns/day 0.667 hours/ns 2.084 steps/s 2024-05-19 05:23:34,231 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 260500 52100 70.562 -28262 7733.7 -35995 -35995 7.5077 -9.384 0.26352 4.9407e+05 2024-05-19 05:24:07,847 INFO [main.py:798]
{rank 0/64} MD step = 260600 step time: 00:00:00.326338 Performance: 36.003 ns/day 0.667 hours/ns 2.084 steps/s 2024-05-19 05:24:14,492 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 260600 52120 70.087 -28329 7681.6 -36011 -36011 7.5118 -9.3833 0.2615 4.9426e+05 2024-05-19 05:24:48,691 INFO [main.py:798]
{rank 0/64} MD step = 260700 step time: 00:00:00.336604 Performance: 36.005 ns/day 0.667 hours/ns 2.084 steps/s 2024-05-19 05:25:01,006 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 260700 52140 70.837 -28113 7763.8 -35877 -35877 7.5166 -9.3834 0.26367 4.9443e+05 2024-05-19 05:25:35,587 INFO [main.py:798]
{rank 0/64} MD step = 260800 step time: 00:00:00.340843 Performance: 36.006 ns/day 0.667 hours/ns 2.084 steps/s 2024-05-19 05:25:40,901 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 260800 52160 70.153 -28395 7688.9 -36084 -36084 7.5183 -9.3854 0.26401 4.9458e+05 2024-05-19 05:26:16,881 INFO [main.py:798]
{rank 0/64} MD step = 260900 step time: 00:00:00.325972 Performance: 36.008 ns/day 0.667 hours/ns 2.084 steps/s 2024-05-19 05:26:22,906 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 260900 52180 70.257 -28545 7700.3 -36245 -36245 7.5203 -9.3859 0.26398 4.9476e+05 2024-05-19 05:26:57,076 INFO [main.py:798]
{rank 0/64} MD step = 261000 step time: 00:00:00.331638 Performance: 36.010 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-19 05:27:08,494 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 261000 52200 70.163 -28216 7690 -35906 -35906 7.5227 -9.3845 0.26461 4.9499e+05 2024-05-19 05:27:43,052 INFO [main.py:798]
{rank 0/64} MD step = 261100 step time: 00:00:00.351363 Performance: 36.011 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-19 05:27:48,578 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 261100 52220 70.026 -28420 7675 -36095 -36095 7.5249 -9.3871 0.2648 4.9515e+05 2024-05-19 05:28:23,044 INFO [main.py:798]
{rank 0/64} MD step = 261200 step time: 00:00:00.326484 Performance: 36.013 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-19 05:28:35,676 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 261200 52240 71.569 -28334 7844.1 -36178 -36178 7.5298 -9.387 0.26653 4.9531e+05 2024-05-19 05:29:09,777 INFO [main.py:798]
{rank 0/64} MD step = 261300 step time: 00:00:00.344668 Performance: 36.013 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-19 05:29:17,938 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 261300 52260 70.764 -28391 7755.8 -36146 -36146 7.5322 -9.386 0.26867 4.9552e+05 2024-05-19 05:29:52,073 INFO [main.py:798]
{rank 0/64} MD step = 261400 step time: 00:00:00.349876 Performance: 36.015 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-19 05:30:00,473 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 261400 52280 69.226 -28406 7587.3 -35993 -35993 7.5368 -9.3861 0.26929 4.9569e+05 2024-05-19 05:30:34,517 INFO [main.py:798]
{rank 0/64} MD step = 261500 step time: 00:00:00.349275 Performance: 36.016 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-19 05:30:43,588 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 261500 52300 70.207 -28469 7694.7 -36163 -36163 7.5403 -9.386 0.26779 4.9587e+05 2024-05-19 05:31:17,977 INFO [main.py:798]
{rank 0/64} MD step = 261600 step time: 00:00:00.348950 Performance: 36.018 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-19 05:31:25,009 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 261600 52320 71.075 -28282 7789.9 -36072 -36072 7.5416 -9.3862 0.26786 4.9607e+05 2024-05-19 05:31:59,334 INFO [main.py:798]
{rank 0/64} MD step = 261700 step time: 00:00:00.339376 Performance: 36.020 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-19 05:32:07,126 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 261700 52340 69.078 -28468 7571 -36038 -36038 7.5436 -9.3868 0.26877 4.9629e+05 2024-05-19 05:32:41,566 INFO [main.py:798]
{rank 0/64} MD step = 261800 step time: 00:00:00.348849 Performance: 36.021 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-19 05:32:50,926 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 261800 52360 69.751 -28327 7644.8 -35972 -35972 7.5451 -9.3877 0.27126 4.9647e+05 2024-05-19 05:33:25,749 INFO [main.py:798]
{rank 0/64} MD step = 261900 step time: 00:00:00.348122 Performance: 36.022 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-19 05:33:34,408 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 261900 52380 69.937 -28361 7665.2 -36026 -36026 7.5474 -9.3867 0.27342 4.9667e+05 2024-05-19 05:34:08,555 INFO [main.py:798]
{rank 0/64} MD step = 262000 step time: 00:00:00.337332 Performance: 36.024 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-19 05:34:17,011 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262000 52400 70.424 -28082 7718.6 -35801 -35801 7.5496 -9.3865 0.27377 4.9686e+05 2024-05-19 05:34:51,445 INFO [main.py:798]
{rank 0/64} MD step = 262100 step time: 00:00:00.349339 Performance: 36.025 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-19 05:34:59,142 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262100 52420 68.942 -28438 7556.1 -35994 -35994 7.5509 -9.3865 0.27435 4.9704e+05 2024-05-19 05:35:34,410 INFO [main.py:798]
{rank 0/64} MD step = 262200 step time: 00:00:00.344955 Performance: 36.027 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-19 05:35:42,677 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262200 52440 70.201 -28237 7694.1 -35931 -35931 7.5532 -9.3869 0.27362 4.9722e+05 2024-05-19 05:36:18,530 INFO [main.py:798]
{rank 0/64} MD step = 262300 step time: 00:00:00.349865 Performance: 36.028 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-19 05:36:25,313 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262300 52460 69.68 -28427 7637 -36064 -36064 7.5571 -9.389 0.27543 4.9739e+05 2024-05-19 05:37:00,055 INFO [main.py:798]
{rank 0/64} MD step = 262400 step time: 00:00:00.349029 Performance: 36.030 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-19 05:37:09,510 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262400 52480 70.177 -28394 7691.5 -36085 -36085 7.5606 -9.3901 0.27579 4.9758e+05 2024-05-19 05:37:44,352 INFO [main.py:798]
{rank 0/64} MD step = 262500 step time: 00:00:00.328287 Performance: 36.031 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-19 05:37:51,181 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262500 52500 69.575 -28538 7625.5 -36163 -36163 7.5646 -9.392 0.27545 4.9776e+05 2024-05-19 05:38:24,968 INFO [main.py:798]
{rank 0/64} MD step = 262600 step time: 00:00:00.336722 Performance: 36.033 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-19 05:38:35,709 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262600 52520 70.041 -28475 7676.6 -36152 -36152 7.5692 -9.3928 0.27635 4.9795e+05 2024-05-19 05:39:10,257 INFO [main.py:798]
{rank 0/64} MD step = 262700 step time: 00:00:00.353501 Performance: 36.034 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-19 05:39:19,045 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262700 52540 70.426 -28337 7718.8 -36056 -36056 7.5717 -9.3933 0.27619 4.9815e+05 2024-05-19 05:39:53,764 INFO [main.py:798]
{rank 0/64} MD step = 262800 step time: 00:00:00.352681 Performance: 36.035 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-19 05:40:02,235 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262800 52560 70.223 -28272 7696.5 -35969 -35969 7.5759 -9.3926 0.27685 4.983e+05 2024-05-19 05:40:36,697 INFO [main.py:798]
{rank 0/64} MD step = 262900 step time: 00:00:00.348992 Performance: 36.036 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-19 05:40:45,273 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262900 52580 68.677 -28621 7527 -36148 -36148 7.5801 -9.3932 0.27754 4.985e+05 2024-05-19 05:41:21,542 INFO [main.py:798]
{rank 0/64} MD step = 263000 step time: 00:00:00.365104 Performance: 36.037 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-19 05:41:38,094 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 263000 52600 70.613 -28201 7739.3 -35940 -35940 7.5849 -9.3935 0.27849 4.9874e+05 2024-05-19 05:42:13,661 INFO [main.py:798]
{rank 0/64} MD step = 263100 step time: 00:00:00.369265 Performance: 36.036 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-19 05:42:22,605 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 263100 52620 68.925 -28486 7554.3 -36040 -36040 7.5869 -9.3934 0.28074 4.9892e+05 2024-05-19 05:42:56,510 INFO [main.py:798]
{rank 0/64} MD step = 263200 step time: 00:00:00.348827 Performance: 36.037 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-19 05:43:09,122 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 263200 52640 69.456 -28364 7612.5 -35976 -35976 7.5904 -9.3941 0.28181 4.9909e+05 2024-05-19 05:43:43,064 INFO [main.py:798]
{rank 0/64} MD step = 263300 step time: 00:00:00.357547 Performance: 36.038 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-19 05:43:52,717 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 263300 52660 69.034 -28434 7566.2 -36000 -36000 7.5924 -9.3934 0.28192 4.9931e+05 2024-05-19 05:44:26,951 INFO [main.py:798]
{rank 0/64} MD step = 263400 step time: 00:00:00.352162 Performance: 36.039 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-19 05:44:38,019 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 263400 52680 70.038 -28453 7676.2 -36129 -36129 7.5941 -9.3936 0.28303 4.9945e+05 2024-05-19 05:45:12,274 INFO [main.py:798]
{rank 0/64} MD step = 263500 step time: 00:00:00.349567 Performance: 36.040 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-19 05:45:21,487 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 263500 52700 69.855 -28333 7656.2 -35989 -35989 7.5996 -9.3933 0.28243 4.9966e+05 2024-05-19 05:45:55,706 INFO [main.py:798]
{rank 0/64} MD step = 263600 step time: 00:00:00.342249 Performance: 36.041 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-19 05:46:05,771 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 263600 52720 69.775 -28520 7647.4 -36167 -36167 7.6039 -9.3927 0.2844 4.9983e+05 2024-05-19 05:46:40,359 INFO [main.py:798]
{rank 0/64} MD step = 263700 step time: 00:00:00.349723 Performance: 36.042 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-19 05:46:49,735 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 263700 52740 70.33 -28445 7708.3 -36153 -36153 7.6066 -9.3941 0.28533 5.0002e+05 2024-05-19 05:47:24,207 INFO [main.py:798]
{rank 0/64} MD step = 263800 step time: 00:00:00.350702 Performance: 36.043 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-19 05:47:31,883 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 263800 52760 70.554 -28472 7732.8 -36205 -36205 7.6091 -9.395 0.28631 5.0021e+05 2024-05-19 05:48:06,085 INFO [main.py:798]
{rank 0/64} MD step = 263900 step time: 00:00:00.345851 Performance: 36.045 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-19 05:48:13,102 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 263900 52780 70.184 -28446 7692.3 -36139 -36139 7.6128 -9.3953 0.28764 5.0042e+05 2024-05-19 05:48:47,665 INFO [main.py:798]
{rank 0/64} MD step = 264000 step time: 00:00:00.338612 Performance: 36.047 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-19 05:48:55,946 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264000 52800 69.483 -28550 7615.4 -36166 -36166 7.6176 -9.3954 0.28732 5.0058e+05 2024-05-19 05:49:29,619 INFO [main.py:798]
{rank 0/64} MD step = 264100 step time: 00:00:00.327026 Performance: 36.048 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-19 05:49:39,123 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264100 52820 69.952 -28287 7666.8 -35953 -35953 7.6221 -9.3955 0.28655 5.0077e+05 2024-05-19 05:50:13,180 INFO [main.py:798]
{rank 0/64} MD step = 264200 step time: 00:00:00.350185 Performance: 36.050 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-19 05:50:20,353 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264200 52840 69.96 -28382 7667.7 -36050 -36050 7.6256 -9.3969 0.28797 5.0096e+05 2024-05-19 05:50:54,514 INFO [main.py:798]
{rank 0/64} MD step = 264300 step time: 00:00:00.347030 Performance: 36.052 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-19 05:51:03,308 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264300 52860 69.65 -28402 7633.8 -36036 -36036 7.6294 -9.3982 0.2905 5.0113e+05 2024-05-19 05:51:37,830 INFO [main.py:798]
{rank 0/64} MD step = 264400 step time: 00:00:00.325579 Performance: 36.053 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-19 05:52:08,012 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264400 52880 70.369 -28343 7712.5 -36056 -36056 7.631 -9.3982 0.29112 5.0134e+05 2024-05-19 05:52:44,185 INFO [main.py:798]
{rank 0/64} MD step = 264500 step time: 00:00:00.366978 Performance: 36.048 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-19 05:52:57,488 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264500 52900 69.434 -28425 7610.1 -36035 -36035 7.6353 -9.399 0.29204 5.0153e+05 2024-05-19 05:53:33,197 INFO [main.py:798]
{rank 0/64} MD step = 264600 step time: 00:00:00.349824 Performance: 36.047 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-19 05:53:40,188 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264600 52920 70.105 -28462 7683.6 -36146 -36146 7.6364 -9.3988 0.2928 5.0168e+05 2024-05-19 05:54:14,455 INFO [main.py:798]
{rank 0/64} MD step = 264700 step time: 00:00:00.351884 Performance: 36.049 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-19 05:54:22,165 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264700 52940 70.987 -28165 7780.3 -35946 -35946 7.6389 -9.3989 0.29449 5.0187e+05 2024-05-19 05:54:56,688 INFO [main.py:798]
{rank 0/64} MD step = 264800 step time: 00:00:00.350181 Performance: 36.051 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-19 05:55:03,730 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264800 52960 69.488 -28388 7616 -36004 -36004 7.6423 -9.3989 0.29409 5.0207e+05 2024-05-19 05:55:38,690 INFO [main.py:798]
{rank 0/64} MD step = 264900 step time: 00:00:00.369675 Performance: 36.052 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-19 05:55:45,021 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264900 52980 69.855 -28222 7656.2 -35878 -35878 7.6456 -9.4008 0.29445 5.0228e+05 2024-05-19 05:56:20,528 INFO [main.py:798]
{rank 0/64} MD step = 265000 step time: 00:00:00.369166 Performance: 36.054 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-19 05:56:33,821 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265000 53000 68.245 -28450 7479.8 -35930 -35930 7.6488 -9.4028 0.29605 5.0245e+05 2024-05-19 05:57:08,105 INFO [main.py:798]
{rank 0/64} MD step = 265100 step time: 00:00:00.325693 Performance: 36.054 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-19 05:57:15,422 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265100 53020 69.679 -28362 7636.9 -35999 -35999 7.6523 -9.4019 0.29693 5.0262e+05 2024-05-19 05:57:49,552 INFO [main.py:798]
{rank 0/64} MD step = 265200 step time: 00:00:00.374667 Performance: 36.056 ns/day 0.666 hours/ns 2.087 steps/s 2024-05-19 05:57:52,960 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265200 53040 70.941 -28166 7775.2 -35941 -35941 7.6566 -9.4022 0.29729 5.0282e+05 2024-05-19 05:58:29,279 INFO [main.py:798]
{rank 0/64} MD step = 265300 step time: 00:00:00.344462 Performance: 36.058 ns/day 0.666 hours/ns 2.087 steps/s 2024-05-19 05:58:36,305 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265300 53060 69.265 -28419 7591.6 -36010 -36010 7.659 -9.4032 0.29826 5.0299e+05 2024-05-19 05:59:10,416 INFO [main.py:798]
{rank 0/64} MD step = 265400 step time: 00:00:00.353160 Performance: 36.060 ns/day 0.666 hours/ns 2.087 steps/s 2024-05-19 05:59:14,626 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265400 53080 68.764 -28462 7536.6 -35999 -35999 7.662 -9.4039 0.29772 5.0316e+05 2024-05-19 05:59:51,792 INFO [main.py:798]
{rank 0/64} MD step = 265500 step time: 00:00:00.354863 Performance: 36.062 ns/day 0.666 hours/ns 2.087 steps/s 2024-05-19 05:59:58,289 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265500 53100 69.674 -28415 7636.3 -36051 -36051 7.6651 -9.4043 0.29807 5.0335e+05 2024-05-19 06:00:32,648 INFO [main.py:798]
{rank 0/64} MD step = 265600 step time: 00:00:00.352711 Performance: 36.064 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-19 06:00:43,773 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265600 53120 70.112 -28274 7684.4 -35958 -35958 7.6676 -9.4043 0.29817 5.0358e+05 2024-05-19 06:01:18,129 INFO [main.py:798]
{rank 0/64} MD step = 265700 step time: 00:00:00.351151 Performance: 36.065 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-19 06:01:26,974 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265700 53140 70.46 -28290 7722.5 -36012 -36012 7.669 -9.4053 0.29712 5.0375e+05 2024-05-19 06:02:00,752 INFO [main.py:798]
{rank 0/64} MD step = 265800 step time: 00:00:00.351061 Performance: 36.066 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-19 06:02:07,817 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265800 53160 69.845 -28547 7655.1 -36202 -36202 7.6727 -9.4063 0.29989 5.0389e+05 2024-05-19 06:02:41,998 INFO [main.py:798]
{rank 0/64} MD step = 265900 step time: 00:00:00.351941 Performance: 36.068 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-19 06:02:48,342 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265900 53180 70.226 -28468 7696.9 -36165 -36165 7.675 -9.4071 0.29983 5.0406e+05 2024-05-19 06:03:22,639 INFO [main.py:798]
{rank 0/64} MD step = 266000 step time: 00:00:00.348516 Performance: 36.070 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-19 06:03:29,139 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266000 53200 69.829 -28283 7653.3 -35936 -35936 7.6767 -9.4067 0.30278 5.0428e+05 2024-05-19 06:04:03,028 INFO [main.py:798]
{rank 0/64} MD step = 266100 step time: 00:00:00.342675 Performance: 36.073 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-19 06:04:09,575 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266100 53220 69.276 -28352 7592.7 -35945 -35945 7.6795 -9.4083 0.30313 5.0445e+05 2024-05-19 06:04:43,775 INFO [main.py:798]
{rank 0/64} MD step = 266200 step time: 00:00:00.348503 Performance: 36.075 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-19 06:04:51,525 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266200 53240 69.787 -28321 7648.7 -35970 -35970 7.6797 -9.409 0.30431 5.0461e+05 2024-05-19 06:05:26,372 INFO [main.py:798]
{rank 0/64} MD step = 266300 step time: 00:00:00.336035 Performance: 36.076 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-19 06:05:33,320 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266300 53260 71.721 -28245 7860.7 -36106 -36106 7.6825 -9.4103 0.3064 5.0482e+05 2024-05-19 06:06:07,301 INFO [main.py:798]
{rank 0/64} MD step = 266400 step time: 00:00:00.339334 Performance: 36.078 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-19 06:06:13,598 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266400 53280 69.962 -28433 7667.9 -36101 -36101 7.6858 -9.4115 0.30629 5.0503e+05 2024-05-19 06:06:47,681 INFO [main.py:798]
{rank 0/64} MD step = 266500 step time: 00:00:00.335653 Performance: 36.080 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-19 06:06:53,888 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266500 53300 69.984 -28542 7670.3 -36213 -36213 7.6879 -9.4128 0.30798 5.0519e+05 2024-05-19 06:07:28,403 INFO [main.py:798]
{rank 0/64} MD step = 266600 step time: 00:00:00.351435 Performance: 36.082 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-19 06:07:35,849 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266600 53320 70.354 -28278 7710.9 -35989 -35989 7.693 -9.4126 0.30764 5.0542e+05 2024-05-19 06:08:10,137 INFO [main.py:798]
{rank 0/64} MD step = 266700 step time: 00:00:00.351929 Performance: 36.084 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-19 06:08:18,882 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266700 53340 69.155 -28514 7579.5 -36093 -36093 7.6979 -9.4126 0.30827 5.0558e+05 2024-05-19 06:08:57,588 INFO [main.py:798]
{rank 0/64} MD step = 266800 step time: 00:00:00.372773 Performance: 36.084 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-19 06:09:03,248 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266800 53360 69.807 -28344 7650.9 -35995 -35995 7.7012 -9.4131 0.31041 5.0576e+05 2024-05-19 06:09:38,925 INFO [main.py:798]
{rank 0/64} MD step = 266900 step time: 00:00:00.372782 Performance: 36.086 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-19 06:09:46,355 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266900 53380 70.031 -28346 7675.5 -36022 -36022 7.7057 -9.4131 0.31084 5.0595e+05 2024-05-19 06:10:20,517 INFO [main.py:798]
{rank 0/64} MD step = 267000 step time: 00:00:00.350612 Performance: 36.088 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-19 06:10:26,202 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267000 53400 69.098 -28530 7573.2 -36103 -36103 7.7058 -9.4131 0.31117 5.0615e+05 2024-05-19 06:11:00,868 INFO [main.py:798]
{rank 0/64} MD step = 267100 step time: 00:00:00.354676 Performance: 36.090 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-19 06:11:07,928 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267100 53420 70.036 -28367 7676 -36043 -36043 7.7073 -9.4133 0.31076 5.0633e+05 2024-05-19 06:11:48,363 INFO [main.py:798]
{rank 0/64} MD step = 267200 step time: 00:00:00.359562 Performance: 36.090 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-19 06:11:56,732 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267200 53440 70.268 -28327 7701.5 -36029 -36029 7.7106 -9.4157 0.31159 5.0652e+05 2024-05-19 06:12:31,791 INFO [main.py:798]
{rank 0/64} MD step = 267300 step time: 00:00:00.350460 Performance: 36.091 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-19 06:12:42,760 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267300 53460 69.874 -28375 7658.3 -36033 -36033 7.7143 -9.4165 0.31228 5.0673e+05 2024-05-19 06:13:19,164 INFO [main.py:798]
{rank 0/64} MD step = 267400 step time: 00:00:00.332045 Performance: 36.091 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-19 06:13:31,174 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267400 53480 70.111 -28222 7684.2 -35906 -35906 7.7164 -9.4181 0.31192 5.0694e+05 2024-05-19 06:14:05,639 INFO [main.py:798]
{rank 0/64} MD step = 267500 step time: 00:00:00.326064 Performance: 36.092 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-19 06:14:18,148 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267500 53500 70.846 -28329 7764.8 -36093 -36093 7.7172 -9.4188 0.31167 5.0712e+05 2024-05-19 06:14:52,788 INFO [main.py:798]
{rank 0/64} MD step = 267600 step time: 00:00:00.349769 Performance: 36.092 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-19 06:15:07,257 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267600 53520 70.351 -28296 7710.6 -36007 -36007 7.7193 -9.4206 0.31212 5.0729e+05 2024-05-19 06:15:40,999 INFO [main.py:798]
{rank 0/64} MD step = 267700 step time: 00:00:00.326563 Performance: 36.092 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-19 06:15:50,839 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267700 53540 70.086 -28438 7681.5 -36119 -36119 7.7202 -9.4205 0.31345 5.0749e+05 2024-05-19 06:16:27,102 INFO [main.py:798]
{rank 0/64} MD step = 267800 step time: 00:00:00.327232 Performance: 36.092 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-19 06:16:35,526 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267800 53560 70.446 -28401 7721 -36122 -36122 7.7231 -9.4217 0.313 5.0767e+05 2024-05-19 06:17:09,713 INFO [main.py:798]
{rank 0/64} MD step = 267900 step time: 00:00:00.325937 Performance: 36.094 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-19 06:17:19,385 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267900 53580 70.235 -28293 7697.8 -35991 -35991 7.7273 -9.4227 0.31459 5.0787e+05 2024-05-19 06:17:53,233 INFO [main.py:798]
{rank 0/64} MD step = 268000 step time: 00:00:00.337560 Performance: 36.095 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-19 06:18:00,825 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 268000 53600 70.995 -28300 7781.2 -36081 -36081 7.7312 -9.4233 0.31478 5.0806e+05 2024-05-19 06:18:35,368 INFO [main.py:798]
{rank 0/64} MD step = 268100 step time: 00:00:00.377018 Performance: 36.097 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-19 06:18:48,012 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 268100 53620 69.882 -28289 7659.2 -35948 -35948 7.7331 -9.4248 0.31588 5.0832e+05 2024-05-19 06:19:22,855 INFO [main.py:798]
{rank 0/64} MD step = 268200 step time: 00:00:00.338117 Performance: 36.097 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-19 06:19:29,735 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 268200 53640 71.14 -28232 7797 -36029 -36029 7.7345 -9.4255 0.31495 5.0847e+05 2024-05-19 06:20:03,434 INFO [main.py:798]
{rank 0/64} MD step = 268300 step time: 00:00:00.340760 Performance: 36.099 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-19 06:20:11,416 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 268300 53660 69.476 -28581 7614.6 -36195 -36195 7.7381 -9.4278 0.31615 5.0863e+05 2024-05-19 06:20:46,550 INFO [main.py:798]
{rank 0/64} MD step = 268400 step time: 00:00:00.341136 Performance: 36.100 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-19 06:20:53,017 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 268400 53680 70.683 -28435 7747 -36182 -36182 7.7429 -9.4288 0.31716 5.0881e+05 2024-05-19 06:21:28,195 INFO [main.py:798]
{rank 0/64} MD step = 268500 step time: 00:00:00.344560 Performance: 36.102 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-19 06:21:37,028 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 268500 53700 70.697 -28263 7748.5 -36012 -36012 7.745 -9.4307 0.31712 5.0902e+05 2024-05-19 06:22:11,423 INFO [main.py:798]
{rank 0/64} MD step = 268600 step time: 00:00:00.353093 Performance: 36.103 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-19 06:22:22,954 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 268600 53720 69.935 -28456 7664.9 -36121 -36121 7.7492 -9.4308 0.31647 5.092e+05 2024-05-19 06:22:57,046 INFO [main.py:798]
{rank 0/64} MD step = 268700 step time: 00:00:00.359769 Performance: 36.104 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-19 06:23:05,989 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 268700 53740 71.035 -28595 7785.5 -36381 -36381 7.7521 -9.4314 0.31655 5.0937e+05 2024-05-19 06:23:40,519 INFO [main.py:798]
{rank 0/64} MD step = 268800 step time: 00:00:00.337142 Performance: 36.105 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-19 06:23:48,150 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 268800 53760 69.102 -28500 7573.6 -36074 -36074 7.7544 -9.4335 0.31712 5.0956e+05 2024-05-19 06:24:22,307 INFO [main.py:798]
{rank 0/64} MD step = 268900 step time: 00:00:00.334835 Performance: 36.107 ns/day 0.665 hours/ns 2.090 steps/s 2024-05-19 06:24:29,287 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 268900 53780 69.876 -28453 7658.5 -36111 -36111 7.7557 -9.4353 0.31741 5.0976e+05 2024-05-19 06:25:03,566 INFO [main.py:798]
{rank 0/64} MD step = 269000 step time: 00:00:00.350639 Performance: 36.109 ns/day 0.665 hours/ns 2.090 steps/s 2024-05-19 06:25:13,492 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 269000 53800 70.182 -28530 7692.1 -36222 -36222 7.7601 -9.4374 0.31702 5.0991e+05 2024-05-19 06:25:47,836 INFO [main.py:798]
{rank 0/64} MD step = 269100 step time: 00:00:00.347749 Performance: 36.110 ns/day 0.665 hours/ns 2.090 steps/s 2024-05-19 06:25:54,837 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 269100 53820 69.35 -28642 7600.8 -36242 -36242 7.7644 -9.4377 0.31684 5.101e+05 2024-05-19 06:26:28,857 INFO [main.py:798]
{rank 0/64} MD step = 269200 step time: 00:00:00.343540 Performance: 36.111 ns/day 0.665 hours/ns 2.090 steps/s 2024-05-19 06:26:34,498 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 269200 53840 70.109 -28489 7684 -36173 -36173 7.7658 -9.4385 0.31604 5.1031e+05 2024-05-19 06:27:10,877 INFO [main.py:798]
{rank 0/64} MD step = 269300 step time: 00:00:00.372542 Performance: 36.113 ns/day 0.665 hours/ns 2.090 steps/s 2024-05-19 06:27:17,735 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 269300 53860 69.813 -28417 7651.6 -36069 -36069 7.7691 -9.4395 0.3155 5.1053e+05 2024-05-19 06:27:55,594 INFO [main.py:798]
{rank 0/64} MD step = 269400 step time: 00:00:00.378570 Performance: 36.114 ns/day 0.665 hours/ns 2.090 steps/s 2024-05-19 06:28:03,533 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 269400 53880 70.198 -28501 7693.8 -36194 -36194 7.7717 -9.4411 0.31649 5.1067e+05 2024-05-19 06:28:37,900 INFO [main.py:798]
{rank 0/64} MD step = 269500 step time: 00:00:00.345457 Performance: 36.116 ns/day 0.665 hours/ns 2.090 steps/s 2024-05-19 06:28:50,069 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 269500 53900 69.454 -28478 7612.2 -36090 -36090 7.7729 -9.4425 0.31716 5.1089e+05 2024-05-19 06:29:24,549 INFO [main.py:798]
{rank 0/64} MD step = 269600 step time: 00:00:00.341923 Performance: 36.116 ns/day 0.665 hours/ns 2.090 steps/s 2024-05-19 06:29:32,706 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 269600 53920 69.013 -28626 7563.9 -36190 -36190 7.7757 -9.4446 0.31827 5.1105e+05 2024-05-19 06:30:07,410 INFO [main.py:798]
{rank 0/64} MD step = 269700 step time: 00:00:00.326219 Performance: 36.117 ns/day 0.665 hours/ns 2.090 steps/s 2024-05-19 06:30:13,969 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 269700 53940 68.952 -28525 7557.2 -36082 -36082 7.7796 -9.4467 0.31876 5.1125e+05 2024-05-19 06:30:50,399 INFO [main.py:798]
{rank 0/64} MD step = 269800 step time: 00:00:00.367278 Performance: 36.119 ns/day 0.664 hours/ns 2.090 steps/s 2024-05-19 06:30:58,244 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 269800 53960 69.428 -28568 7609.4 -36178 -36178 7.7821 -9.4469 0.31983 5.1145e+05 2024-05-19 06:31:33,364 INFO [main.py:798]
{rank 0/64} MD step = 269900 step time: 00:00:00.357993 Performance: 36.120 ns/day 0.664 hours/ns 2.090 steps/s 2024-05-19 06:31:39,846 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 269900 53980 70.887 -28389 7769.4 -36158 -36158 7.7834 -9.4475 0.32034 5.1164e+05 2024-05-19 06:32:14,059 INFO [main.py:798]
{rank 0/64} MD step = 270000 step time: 00:00:00.345981 Performance: 36.122 ns/day 0.664 hours/ns 2.090 steps/s 2024-05-19 06:32:19,695 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 270000 54000 69.269 -28522 7591.9 -36114 -36114 7.7869 -9.4495 0.32139 5.1185e+05 2024-05-19 06:32:53,551 INFO [main.py:798]
{rank 0/64} MD step = 270100 step time: 00:00:00.338704 Performance: 36.124 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-19 06:32:58,743 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 270100 54020 70.124 -28527 7685.6 -36213 -36213 7.7889 -9.452 0.32128 5.1198e+05 2024-05-19 06:33:33,601 INFO [main.py:798]
{rank 0/64} MD step = 270200 step time: 00:00:00.369783 Performance: 36.127 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-19 06:33:41,354 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 270200 54040 71.061 -28444 7788.4 -36232 -36232 7.7933 -9.4532 0.32169 5.1224e+05 2024-05-19 06:34:16,726 INFO [main.py:798]
{rank 0/64} MD step = 270300 step time: 00:00:00.356828 Performance: 36.128 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-19 06:34:22,247 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 270300 54060 68.948 -28757 7556.8 -36314 -36314 7.7991 -9.4544 0.3223 5.1238e+05 2024-05-19 06:34:57,305 INFO [main.py:798]
{rank 0/64} MD step = 270400 step time: 00:00:00.356823 Performance: 36.130 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-19 06:35:02,134 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 270400 54080 69.442 -28698 7610.9 -36308 -36308 7.8035 -9.455 0.32223 5.1255e+05 2024-05-19 06:35:36,218 INFO [main.py:798]
{rank 0/64} MD step = 270500 step time: 00:00:00.351621 Performance: 36.132 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-19 06:35:40,432 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 270500 54100 70.103 -28550 7683.4 -36233 -36233 7.8067 -9.4556 0.32349 5.1274e+05 2024-05-19 06:36:17,776 INFO [main.py:798]
{rank 0/64} MD step = 270600 step time: 00:00:00.349115 Performance: 36.134 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-19 06:36:24,151 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 270600 54120 70.627 -28497 7740.8 -36238 -36238 7.81 -9.4559 0.32245 5.1294e+05 2024-05-19 06:36:59,324 INFO [main.py:798]
{rank 0/64} MD step = 270700 step time: 00:00:00.335617 Performance: 36.136 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-19 06:37:07,650 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 270700 54140 70.433 -28450 7719.5 -36170 -36170 7.8149 -9.4588 0.32365 5.131e+05 2024-05-19 06:37:42,139 INFO [main.py:798]
{rank 0/64} MD step = 270800 step time: 00:00:00.343602 Performance: 36.137 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-19 06:37:49,721 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 270800 54160 70.705 -28346 7749.3 -36095 -36095 7.8176 -9.459 0.32358 5.1329e+05 2024-05-19 06:38:24,439 INFO [main.py:798]
{rank 0/64} MD step = 270900 step time: 00:00:00.331542 Performance: 36.139 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-19 06:38:31,297 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 270900 54180 70.264 -28528 7701 -36229 -36229 7.8203 -9.4595 0.32368 5.1346e+05 2024-05-19 06:39:05,471 INFO [main.py:798]
{rank 0/64} MD step = 271000 step time: 00:00:00.329048 Performance: 36.141 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-19 06:39:12,082 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 271000 54200 71.444 -28172 7830.4 -36002 -36002 7.823 -9.4613 0.32458 5.1371e+05 2024-05-19 06:39:47,642 INFO [main.py:798]
{rank 0/64} MD step = 271100 step time: 00:00:00.338379 Performance: 36.142 ns/day 0.664 hours/ns 2.092 steps/s 2024-05-19 06:39:54,467 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 271100 54220 70.564 -28295 7733.9 -36029 -36029 7.8252 -9.4631 0.3251 5.1386e+05 2024-05-19 06:40:28,944 INFO [main.py:798]
{rank 0/64} MD step = 271200 step time: 00:00:00.349317 Performance: 36.144 ns/day 0.664 hours/ns 2.092 steps/s 2024-05-19 06:40:37,613 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 271200 54240 68.539 -28598 7511.9 -36110 -36110 7.8272 -9.4641 0.3251 5.1399e+05 2024-05-19 06:41:13,837 INFO [main.py:798]
{rank 0/64} MD step = 271300 step time: 00:00:00.350020 Performance: 36.145 ns/day 0.664 hours/ns 2.092 steps/s 2024-05-19 06:41:22,476 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 271300 54260 69.811 -28553 7651.4 -36204 -36204 7.8315 -9.4641 0.32459 5.142e+05 2024-05-19 06:41:56,818 INFO [main.py:798]
{rank 0/64} MD step = 271400 step time: 00:00:00.353677 Performance: 36.146 ns/day 0.664 hours/ns 2.092 steps/s 2024-05-19 06:42:06,255 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 271400 54280 69.12 -28516 7575.6 -36092 -36092 7.836 -9.4653 0.32438 5.144e+05 2024-05-19 06:42:40,440 INFO [main.py:798]
{rank 0/64} MD step = 271500 step time: 00:00:00.349364 Performance: 36.147 ns/day 0.664 hours/ns 2.092 steps/s 2024-05-19 06:42:49,026 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 271500 54300 70.116 -28548 7684.7 -36232 -36232 7.838 -9.4689 0.32362 5.1457e+05 2024-05-19 06:43:32,285 INFO [main.py:798]
{rank 0/64} MD step = 271600 step time: 00:00:00.369679 Performance: 36.146 ns/day 0.664 hours/ns 2.092 steps/s 2024-05-19 06:43:39,137 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 271600 54320 69.802 -28499 7650.3 -36150 -36150 7.8413 -9.4711 0.32246 5.1472e+05 2024-05-19 06:44:13,244 INFO [main.py:798]
{rank 0/64} MD step = 271700 step time: 00:00:00.347500 Performance: 36.148 ns/day 0.664 hours/ns 2.092 steps/s 2024-05-19 06:44:27,867 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 271700 54340 69.562 -28658 7624.1 -36282 -36282 7.8458 -9.4735 0.32166 5.1489e+05 2024-05-19 06:45:01,924 INFO [main.py:798]
{rank 0/64} MD step = 271800 step time: 00:00:00.350225 Performance: 36.148 ns/day 0.664 hours/ns 2.092 steps/s 2024-05-19 06:45:07,153 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 271800 54360 69.78 -28480 7648 -36128 -36128 7.8498 -9.4742 0.32177 5.1506e+05 2024-05-19 06:45:41,454 INFO [main.py:798]
{rank 0/64} MD step = 271900 step time: 00:00:00.352724 Performance: 36.150 ns/day 0.664 hours/ns 2.092 steps/s 2024-05-19 06:45:49,399 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 271900 54380 70.873 -28411 7767.8 -36178 -36178 7.8535 -9.4754 0.32217 5.1527e+05 2024-05-19 06:46:23,330 INFO [main.py:798]
{rank 0/64} MD step = 272000 step time: 00:00:00.337207 Performance: 36.152 ns/day 0.664 hours/ns 2.092 steps/s 2024-05-19 06:46:30,345 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272000 54400 70.851 -28427 7765.3 -36192 -36192 7.8566 -9.4778 0.3227 5.1545e+05 2024-05-19 06:47:05,012 INFO [main.py:798]
{rank 0/64} MD step = 272100 step time: 00:00:00.359512 Performance: 36.154 ns/day 0.664 hours/ns 2.092 steps/s 2024-05-19 06:47:10,441 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272100 54420 69.722 -28496 7641.6 -36137 -36137 7.861 -9.4795 0.32375 5.1563e+05 2024-05-19 06:47:44,823 INFO [main.py:798]
{rank 0/64} MD step = 272200 step time: 00:00:00.363727 Performance: 36.156 ns/day 0.664 hours/ns 2.092 steps/s 2024-05-19 06:47:50,215 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272200 54440 68.735 -28616 7533.5 -36149 -36149 7.864 -9.4812 0.3246 5.1579e+05 2024-05-19 06:48:22,948 INFO [main.py:798]
{rank 0/64} MD step = 272300 step time: 00:00:00.354904 Performance: 36.158 ns/day 0.664 hours/ns 2.093 steps/s 2024-05-19 06:48:27,505 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272300 54460 70.634 -28564 7741.6 -36305 -36305 7.868 -9.4825 0.32406 5.1594e+05 2024-05-19 06:49:03,129 INFO [main.py:798]
{rank 0/64} MD step = 272400 step time: 00:00:00.357424 Performance: 36.161 ns/day 0.664 hours/ns 2.093 steps/s 2024-05-19 06:49:08,887 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272400 54480 69.134 -28596 7577.2 -36173 -36173 7.8708 -9.4844 0.32351 5.1614e+05 2024-05-19 06:49:43,276 INFO [main.py:798]
{rank 0/64} MD step = 272500 step time: 00:00:00.351164 Performance: 36.163 ns/day 0.664 hours/ns 2.093 steps/s 2024-05-19 06:49:50,319 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272500 54500 69.989 -28463 7670.8 -36134 -36134 7.8735 -9.4864 0.32272 5.1634e+05 2024-05-19 06:50:24,972 INFO [main.py:798]
{rank 0/64} MD step = 272600 step time: 00:00:00.355980 Performance: 36.164 ns/day 0.664 hours/ns 2.093 steps/s 2024-05-19 06:50:30,466 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272600 54520 70.378 -28391 7713.6 -36104 -36104 7.8771 -9.4878 0.32255 5.1654e+05 2024-05-19 06:51:04,978 INFO [main.py:798]
{rank 0/64} MD step = 272700 step time: 00:00:00.352820 Performance: 36.167 ns/day 0.664 hours/ns 2.093 steps/s 2024-05-19 06:51:12,149 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272700 54540 69.879 -28496 7658.8 -36155 -36155 7.8819 -9.4896 0.32406 5.1672e+05 2024-05-19 06:51:46,880 INFO [main.py:798]
{rank 0/64} MD step = 272800 step time: 00:00:00.353132 Performance: 36.168 ns/day 0.664 hours/ns 2.093 steps/s 2024-05-19 06:51:52,245 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272800 54560 69.932 -28422 7664.7 -36087 -36087 7.8849 -9.492 0.32508 5.1694e+05 2024-05-19 06:52:26,885 INFO [main.py:798]
{rank 0/64} MD step = 272900 step time: 00:00:00.357028 Performance: 36.170 ns/day 0.664 hours/ns 2.093 steps/s 2024-05-19 06:52:32,785 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272900 54580 70.792 -28359 7758.9 -36118 -36118 7.8855 -9.4935 0.32454 5.1712e+05 2024-05-19 06:53:07,312 INFO [main.py:798]
{rank 0/64} MD step = 273000 step time: 00:00:00.368265 Performance: 36.172 ns/day 0.663 hours/ns 2.093 steps/s 2024-05-19 06:53:13,691 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273000 54600 70.486 -28370 7725.3 -36096 -36096 7.8894 -9.4956 0.32371 5.173e+05 2024-05-19 06:53:47,647 INFO [main.py:798]
{rank 0/64} MD step = 273100 step time: 00:00:00.328259 Performance: 36.174 ns/day 0.663 hours/ns 2.093 steps/s 2024-05-19 06:53:53,731 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273100 54620 70.238 -28375 7698.1 -36073 -36073 7.8932 -9.4954 0.32508 5.1751e+05 2024-05-19 06:54:28,221 INFO [main.py:798]
{rank 0/64} MD step = 273200 step time: 00:00:00.353864 Performance: 36.176 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-19 06:54:33,880 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273200 54640 70.369 -28412 7712.6 -36124 -36124 7.8947 -9.4965 0.32497 5.1768e+05 2024-05-19 06:55:08,274 INFO [main.py:798]
{rank 0/64} MD step = 273300 step time: 00:00:00.375150 Performance: 36.179 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-19 06:55:13,989 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273300 54660 70.295 -28450 7704.4 -36154 -36154 7.8989 -9.4998 0.32468 5.1786e+05 2024-05-19 06:55:51,348 INFO [main.py:798]
{rank 0/64} MD step = 273400 step time: 00:00:00.351878 Performance: 36.180 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-19 06:55:59,408 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273400 54680 69.157 -28648 7579.7 -36227 -36227 7.9023 -9.5018 0.32463 5.1802e+05 2024-05-19 06:56:34,198 INFO [main.py:798]
{rank 0/64} MD step = 273500 step time: 00:00:00.354342 Performance: 36.181 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-19 06:56:45,307 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273500 54700 70.944 -28338 7775.6 -36114 -36114 7.9075 -9.503 0.32388 5.1825e+05 2024-05-19 06:57:20,643 INFO [main.py:798]
{rank 0/64} MD step = 273600 step time: 00:00:00.331227 Performance: 36.182 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-19 06:57:27,832 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273600 54720 68.673 -28722 7526.6 -36248 -36248 7.9097 -9.5057 0.32365 5.1843e+05 2024-05-19 06:58:05,594 INFO [main.py:798]
{rank 0/64} MD step = 273700 step time: 00:00:00.334051 Performance: 36.182 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-19 06:58:16,731 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273700 54740 70.318 -28399 7706.9 -36106 -36106 7.9144 -9.5063 0.32368 5.1868e+05 2024-05-19 06:58:51,344 INFO [main.py:798]
{rank 0/64} MD step = 273800 step time: 00:00:00.352475 Performance: 36.183 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-19 06:58:59,135 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273800 54760 70.065 -28249 7679.2 -35929 -35929 7.9183 -9.5072 0.32442 5.1888e+05 2024-05-19 06:59:33,378 INFO [main.py:798]
{rank 0/64} MD step = 273900 step time: 00:00:00.344609 Performance: 36.185 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-19 07:00:07,108 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273900 54780 70.273 -28533 7702 -36235 -36235 7.9214 -9.5081 0.32316 5.1903e+05 2024-05-19 07:00:42,930 INFO [main.py:798]
{rank 0/64} MD step = 274000 step time: 00:00:00.326783 Performance: 36.178 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-19 07:00:51,215 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274000 54800 69.967 -28376 7668.5 -36044 -36044 7.9255 -9.5092 0.32438 5.1925e+05 2024-05-19 07:01:27,905 INFO [main.py:798]
{rank 0/64} MD step = 274100 step time: 00:00:00.329039 Performance: 36.179 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-19 07:01:37,252 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274100 54820 69.398 -28495 7606.1 -36101 -36101 7.927 -9.5107 0.32376 5.1945e+05 2024-05-19 07:02:11,531 INFO [main.py:798]
{rank 0/64} MD step = 274200 step time: 00:00:00.330673 Performance: 36.180 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-19 07:02:16,497 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274200 54840 69.998 -28469 7671.8 -36140 -36140 7.9306 -9.5121 0.32423 5.1962e+05 2024-05-19 07:02:52,138 INFO [main.py:798]
{rank 0/64} MD step = 274300 step time: 00:00:00.356291 Performance: 36.182 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-19 07:02:59,536 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274300 54860 69.892 -28546 7660.2 -36206 -36206 7.9334 -9.5139 0.32453 5.1982e+05 2024-05-19 07:03:33,553 INFO [main.py:798]
{rank 0/64} MD step = 274400 step time: 00:00:00.333098 Performance: 36.184 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-19 07:03:39,025 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274400 54880 69.097 -28655 7573.2 -36228 -36228 7.939 -9.5148 0.32343 5.2003e+05 2024-05-19 07:04:14,166 INFO [main.py:798]
{rank 0/64} MD step = 274500 step time: 00:00:00.353661 Performance: 36.186 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-19 07:04:21,695 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274500 54900 70.773 -28425 7756.8 -36182 -36182 7.9422 -9.5174 0.32305 5.202e+05 2024-05-19 07:04:56,275 INFO [main.py:798]
{rank 0/64} MD step = 274600 step time: 00:00:00.349486 Performance: 36.188 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-19 07:05:03,152 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274600 54920 69.49 -28346 7616.2 -35962 -35962 7.9443 -9.5177 0.32356 5.2043e+05 2024-05-19 07:05:38,122 INFO [main.py:798]
{rank 0/64} MD step = 274700 step time: 00:00:00.370312 Performance: 36.189 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-19 07:05:43,748 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274700 54940 70.015 -28309 7673.8 -35983 -35983 7.9483 -9.5187 0.32379 5.2062e+05 2024-05-19 07:06:18,533 INFO [main.py:798]
{rank 0/64} MD step = 274800 step time: 00:00:00.336755 Performance: 36.191 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-19 07:06:24,458 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274800 54960 70.199 -28353 7693.8 -36047 -36047 7.9505 -9.522 0.32398 5.2082e+05 2024-05-19 07:06:58,631 INFO [main.py:798]
{rank 0/64} MD step = 274900 step time: 00:00:00.335424 Performance: 36.193 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-19 07:07:04,305 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274900 54980 69.218 -28432 7586.4 -36019 -36019 7.9546 -9.5227 0.32516 5.2102e+05 2024-05-19 07:07:40,009 INFO [main.py:798]
{rank 0/64} MD step = 275000 step time: 00:00:00.347686 Performance: 36.195 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-19 07:07:47,020 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 275000 55000 69.516 -28510 7619 -36129 -36129 7.958 -9.5228 0.32719 5.2119e+05 2024-05-19 07:08:21,513 INFO [main.py:798]
{rank 0/64} MD step = 275100 step time: 00:00:00.354797 Performance: 36.197 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-19 07:08:30,611 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 275100 55020 68.852 -28472 7546.3 -36018 -36018 7.9599 -9.5238 0.32733 5.2142e+05 2024-05-19 07:09:05,309 INFO [main.py:798]
{rank 0/64} MD step = 275200 step time: 00:00:00.357404 Performance: 36.198 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-19 07:09:14,961 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 275200 55040 70.685 -28482 7747.2 -36230 -36230 7.9643 -9.526 0.32726 5.2153e+05 2024-05-19 07:09:49,824 INFO [main.py:798]
{rank 0/64} MD step = 275300 step time: 00:00:00.355587 Performance: 36.199 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-19 07:09:58,098 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 275300 55060 69.821 -28277 7652.5 -35930 -35930 7.968 -9.5275 0.32699 5.2173e+05 2024-05-19 07:10:34,237 INFO [main.py:798]
{rank 0/64} MD step = 275400 step time: 00:00:00.335591 Performance: 36.200 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-19 07:10:46,568 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 275400 55080 69.879 -28446 7658.8 -36105 -36105 7.9723 -9.5271 0.32853 5.2189e+05 2024-05-19 07:11:21,178 INFO [main.py:798]
{rank 0/64} MD step = 275500 step time: 00:00:00.327758 Performance: 36.200 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-19 07:11:31,708 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 275500 55100 70.579 -28339 7735.5 -36075 -36075 7.9768 -9.5281 0.32968 5.2208e+05 2024-05-19 07:12:06,171 INFO [main.py:798]
{rank 0/64} MD step = 275600 step time: 00:00:00.325712 Performance: 36.201 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-19 07:12:12,970 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 275600 55120 70.439 -28446 7720.2 -36166 -36166 7.9801 -9.53 0.32954 5.2226e+05 2024-05-19 07:12:46,717 INFO [main.py:798]
{rank 0/64} MD step = 275700 step time: 00:00:00.349623 Performance: 36.203 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-19 07:12:53,884 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 275700 55140 70.001 -28463 7672.2 -36135 -36135 7.984 -9.5305 0.32972 5.2244e+05 2024-05-19 07:13:29,005 INFO [main.py:798]
{rank 0/64} MD step = 275800 step time: 00:00:00.327982 Performance: 36.204 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-19 07:13:45,181 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 275800 55160 70.028 -28530 7675.1 -36205 -36205 7.9892 -9.5324 0.33029 5.2267e+05 2024-05-19 07:14:18,925 INFO [main.py:798]
{rank 0/64} MD step = 275900 step time: 00:00:00.347669 Performance: 36.204 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-19 07:14:25,995 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 275900 55180 69.614 -28580 7629.8 -36209 -36209 7.9941 -9.5338 0.33078 5.2281e+05 2024-05-19 07:14:59,690 INFO [main.py:798]
{rank 0/64} MD step = 276000 step time: 00:00:00.349210 Performance: 36.206 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-19 07:15:13,697 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 276000 55200 69.384 -28596 7604.6 -36201 -36201 7.9982 -9.5354 0.33085 5.2298e+05 2024-05-19 07:15:49,274 INFO [main.py:798]
{rank 0/64} MD step = 276100 step time: 00:00:00.348229 Performance: 36.205 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-19 07:15:59,724 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 276100 55220 69.034 -28640 7566.2 -36206 -36206 8.0012 -9.5373 0.33109 5.2321e+05 2024-05-19 07:16:34,495 INFO [main.py:798]
{rank 0/64} MD step = 276200 step time: 00:00:00.366817 Performance: 36.206 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-19 07:16:41,685 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 276200 55240 69.16 -28547 7580 -36127 -36127 8.0038 -9.5385 0.33031 5.2339e+05 2024-05-19 07:17:16,747 INFO [main.py:798]
{rank 0/64} MD step = 276300 step time: 00:00:00.352960 Performance: 36.207 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-19 07:17:23,130 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 276300 55260 70.418 -28413 7717.9 -36131 -36131 8.0071 -9.5413 0.33164 5.2359e+05 2024-05-19 07:17:57,360 INFO [main.py:798]
{rank 0/64} MD step = 276400 step time: 00:00:00.335735 Performance: 36.209 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-19 07:18:02,886 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 276400 55280 70.352 -28461 7710.7 -36171 -36171 8.013 -9.5429 0.3332 5.2377e+05 2024-05-19 07:18:36,728 INFO [main.py:798]
{rank 0/64} MD step = 276500 step time: 00:00:00.350053 Performance: 36.211 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-19 07:18:42,435 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 276500 55300 70.3 -28617 7705 -36322 -36322 8.019 -9.5453 0.33354 5.2396e+05 2024-05-19 07:19:16,323 INFO [main.py:798]
{rank 0/64} MD step = 276600 step time: 00:00:00.352425 Performance: 36.214 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-19 07:19:23,081 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 276600 55320 70.353 -28468 7710.8 -36178 -36178 8.0195 -9.5488 0.33425 5.242e+05 2024-05-19 07:19:57,412 INFO [main.py:798]
{rank 0/64} MD step = 276700 step time: 00:00:00.351135 Performance: 36.216 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-19 07:20:03,575 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 276700 55340 70.501 -28509 7727 -36236 -36236 8.0215 -9.5498 0.33469 5.244e+05 2024-05-19 07:20:37,491 INFO [main.py:798]
{rank 0/64} MD step = 276800 step time: 00:00:00.329969 Performance: 36.218 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-19 07:20:42,992 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 276800 55360 69.688 -28481 7637.9 -36119 -36119 8.0232 -9.5526 0.33335 5.2462e+05 2024-05-19 07:21:16,643 INFO [main.py:798]
{rank 0/64} MD step = 276900 step time: 00:00:00.340074 Performance: 36.220 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-19 07:21:21,766 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 276900 55380 69.425 -28554 7609 -36163 -36163 8.0267 -9.5541 0.33246 5.2481e+05 2024-05-19 07:21:55,994 INFO [main.py:798]
{rank 0/64} MD step = 277000 step time: 00:00:00.351616 Performance: 36.222 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-19 07:22:01,356 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277000 55400 70.263 -28452 7701 -36153 -36153 8.0292 -9.5563 0.33309 5.2503e+05 2024-05-19 07:22:35,582 INFO [main.py:798]
{rank 0/64} MD step = 277100 step time: 00:00:00.342017 Performance: 36.224 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-19 07:22:42,491 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277100 55420 68.394 -28860 7496 -36356 -36356 8.033 -9.5585 0.33518 5.2513e+05 2024-05-19 07:23:17,207 INFO [main.py:798]
{rank 0/64} MD step = 277200 step time: 00:00:00.355047 Performance: 36.226 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-19 07:23:22,755 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277200 55440 68.836 -28710 7544.5 -36254 -36254 8.0366 -9.5595 0.33608 5.2539e+05 2024-05-19 07:23:57,326 INFO [main.py:798]
{rank 0/64} MD step = 277300 step time: 00:00:00.362036 Performance: 36.228 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-19 07:24:04,322 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277300 55460 70.094 -28525 7682.4 -36208 -36208 8.0388 -9.5623 0.33768 5.2557e+05 2024-05-19 07:24:38,394 INFO [main.py:798]
{rank 0/64} MD step = 277400 step time: 00:00:00.350286 Performance: 36.230 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-19 07:24:44,122 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277400 55480 70.4 -28488 7715.9 -36204 -36204 8.0411 -9.5622 0.33832 5.2579e+05 2024-05-19 07:25:18,417 INFO [main.py:798]
{rank 0/64} MD step = 277500 step time: 00:00:00.358868 Performance: 36.232 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-19 07:25:24,626 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277500 55500 69.81 -28555 7651.3 -36207 -36207 8.0432 -9.5639 0.33865 5.26e+05 2024-05-19 07:25:59,584 INFO [main.py:798]
{rank 0/64} MD step = 277600 step time: 00:00:00.363483 Performance: 36.234 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-19 07:26:07,912 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277600 55520 69.74 -28562 7643.6 -36206 -36206 8.0477 -9.565 0.33842 5.2619e+05 2024-05-19 07:26:41,993 INFO [main.py:798]
{rank 0/64} MD step = 277700 step time: 00:00:00.339062 Performance: 36.235 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-19 07:26:47,546 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277700 55540 70.791 -28348 7758.8 -36107 -36107 8.0495 -9.566 0.33914 5.2641e+05 2024-05-19 07:27:23,967 INFO [main.py:798]
{rank 0/64} MD step = 277800 step time: 00:00:00.356368 Performance: 36.237 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-19 07:27:32,154 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277800 55560 69.681 -28614 7637.1 -36251 -36251 8.0533 -9.5678 0.33899 5.2659e+05 2024-05-19 07:28:06,267 INFO [main.py:798]
{rank 0/64} MD step = 277900 step time: 00:00:00.351235 Performance: 36.238 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-19 07:28:14,074 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277900 55580 69.548 -28439 7622.6 -36062 -36062 8.0554 -9.5696 0.33843 5.268e+05 2024-05-19 07:28:49,345 INFO [main.py:798]
{rank 0/64} MD step = 278000 step time: 00:00:00.359909 Performance: 36.240 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-19 07:29:02,454 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278000 55600 69.036 -28720 7566.4 -36286 -36286 8.059 -9.5708 0.33891 5.2696e+05 2024-05-19 07:29:36,179 INFO [main.py:798]
{rank 0/64} MD step = 278100 step time: 00:00:00.345748 Performance: 36.240 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-19 07:29:46,983 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278100 55620 70.275 -28415 7702.2 -36117 -36117 8.063 -9.5726 0.33931 5.2718e+05 2024-05-19 07:30:22,453 INFO [main.py:798]
{rank 0/64} MD step = 278200 step time: 00:00:00.354189 Performance: 36.240 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-19 07:30:39,623 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278200 55640 70.644 -28298 7742.7 -36041 -36041 8.0645 -9.575 0.34057 5.2738e+05 2024-05-19 07:31:20,505 INFO [main.py:798]
{rank 0/64} MD step = 278300 step time: 00:00:00.370575 Performance: 36.237 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-19 07:31:30,893 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278300 55660 71.152 -28371 7798.3 -36169 -36169 8.0654 -9.5755 0.34107 5.2757e+05 2024-05-19 07:32:04,839 INFO [main.py:798]
{rank 0/64} MD step = 278400 step time: 00:00:00.344587 Performance: 36.238 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-19 07:32:16,768 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278400 55680 70.083 -28464 7681.2 -36146 -36146 8.0686 -9.5783 0.3404 5.2777e+05 2024-05-19 07:32:50,867 INFO [main.py:798]
{rank 0/64} MD step = 278500 step time: 00:00:00.350018 Performance: 36.239 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-19 07:33:02,546 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278500 55700 69.531 -28530 7620.7 -36151 -36151 8.0709 -9.5797 0.33956 5.2797e+05 2024-05-19 07:33:37,046 INFO [main.py:798]
{rank 0/64} MD step = 278600 step time: 00:00:00.350847 Performance: 36.239 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-19 07:33:45,981 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278600 55720 70.58 -28436 7735.7 -36172 -36172 8.0733 -9.5817 0.34112 5.2813e+05 2024-05-19 07:34:21,438 INFO [main.py:798]
{rank 0/64} MD step = 278700 step time: 00:00:00.344193 Performance: 36.240 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-19 07:34:31,533 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278700 55740 70.345 -28398 7709.9 -36108 -36108 8.076 -9.5841 0.34204 5.2833e+05 2024-05-19 07:35:04,758 INFO [main.py:798]
{rank 0/64} MD step = 278800 step time: 00:00:00.336890 Performance: 36.241 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-19 07:35:15,861 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278800 55760 70.392 -28275 7715.1 -35990 -35990 8.0791 -9.5855 0.34361 5.2855e+05 2024-05-19 07:35:50,232 INFO [main.py:798]
{rank 0/64} MD step = 278900 step time: 00:00:00.327029 Performance: 36.242 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-19 07:36:00,412 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278900 55780 70.599 -28355 7737.7 -36093 -36093 8.0812 -9.5872 0.34413 5.2872e+05 2024-05-19 07:36:34,789 INFO [main.py:798]
{rank 0/64} MD step = 279000 step time: 00:00:00.332267 Performance: 36.243 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-19 07:36:44,865 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 279000 55800 70.122 -28351 7685.4 -36036 -36036 8.0841 -9.5906 0.3437 5.289e+05 2024-05-19 07:37:19,596 INFO [main.py:798]
{rank 0/64} MD step = 279100 step time: 00:00:00.349737 Performance: 36.244 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-19 07:37:28,602 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 279100 55820 70.43 -28396 7719.2 -36115 -36115 8.0888 -9.5923 0.34465 5.2908e+05 2024-05-19 07:38:02,504 INFO [main.py:798]
{rank 0/64} MD step = 279200 step time: 00:00:00.344791 Performance: 36.245 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-19 07:38:15,431 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 279200 55840 70.96 -28349 7777.3 -36126 -36126 8.0917 -9.5959 0.34336 5.2924e+05 2024-05-19 07:38:49,255 INFO [main.py:798]
{rank 0/64} MD step = 279300 step time: 00:00:00.347470 Performance: 36.245 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-19 07:38:58,766 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 279300 55860 70.542 -28451 7731.4 -36183 -36183 8.0957 -9.5974 0.34419 5.294e+05 2024-05-19 07:39:33,293 INFO [main.py:798]
{rank 0/64} MD step = 279400 step time: 00:00:00.339738 Performance: 36.246 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-19 07:39:40,670 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 279400 55880 69.494 -28521 7616.7 -36137 -36137 8.0998 -9.598 0.34455 5.2962e+05 2024-05-19 07:40:15,108 INFO [main.py:798]
{rank 0/64} MD step = 279500 step time: 00:00:00.341522 Performance: 36.248 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-19 07:40:23,327 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 279500 55900 70.158 -28403 7689.4 -36093 -36093 8.101 -9.6003 0.34546 5.2982e+05 2024-05-19 07:40:59,950 INFO [main.py:798]
{rank 0/64} MD step = 279600 step time: 00:00:00.347102 Performance: 36.248 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-19 07:41:11,015 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 279600 55920 69.601 -28430 7628.3 -36059 -36059 8.1008 -9.6022 0.3452 5.3004e+05 2024-05-19 07:41:46,016 INFO [main.py:798]
{rank 0/64} MD step = 279700 step time: 00:00:00.356748 Performance: 36.249 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-19 07:41:57,352 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 279700 55940 68.921 -28385 7553.9 -35938 -35938 8.1032 -9.6043 0.34543 5.3023e+05 2024-05-19 07:42:34,141 INFO [main.py:798]
{rank 0/64} MD step = 279800 step time: 00:00:00.328201 Performance: 36.249 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-19 07:42:44,638 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 279800 55960 70.661 -28167 7744.5 -35911 -35911 8.1044 -9.6075 0.34499 5.304e+05 2024-05-19 07:43:18,704 INFO [main.py:798]
{rank 0/64} MD step = 279900 step time: 00:00:00.326893 Performance: 36.250 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-19 07:43:28,447 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 279900 55980 70.469 -28252 7723.5 -35975 -35975 8.1098 -9.6104 0.34653 5.3061e+05 2024-05-19 07:44:02,748 INFO [main.py:798]
{rank 0/64} MD step = 280000 step time: 00:00:00.349779 Performance: 36.251 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-19 07:44:14,213 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280000 56000 69.798 -28260 7649.9 -35910 -35910 8.1119 -9.6122 0.34712 5.3083e+05 2024-05-19 07:44:49,857 INFO [main.py:798]
{rank 0/64} MD step = 280100 step time: 00:00:00.349057 Performance: 36.251 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-19 07:44:57,668 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280100 56020 69.36 -28330 7601.9 -35932 -35932 8.1171 -9.6151 0.34596 5.3097e+05 2024-05-19 07:45:31,869 INFO [main.py:798]
{rank 0/64} MD step = 280200 step time: 00:00:00.347601 Performance: 36.252 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-19 07:45:40,771 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280200 56040 69.791 -28305 7649.1 -35954 -35954 8.1197 -9.6176 0.34665 5.3117e+05 2024-05-19 07:46:17,470 INFO [main.py:798]
{rank 0/64} MD step = 280300 step time: 00:00:00.350258 Performance: 36.253 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-19 07:46:29,829 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280300 56060 70.134 -28227 7686.7 -35914 -35914 8.1227 -9.62 0.34726 5.3135e+05 2024-05-19 07:47:04,091 INFO [main.py:798]
{rank 0/64} MD step = 280400 step time: 00:00:00.355010 Performance: 36.253 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-19 07:47:11,192 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280400 56080 69.618 -28514 7630.2 -36144 -36144 8.126 -9.6236 0.3474 5.3151e+05 2024-05-19 07:47:46,426 INFO [main.py:798]
{rank 0/64} MD step = 280500 step time: 00:00:00.372933 Performance: 36.255 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-19 07:47:51,717 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280500 56100 70.188 -28431 7692.7 -36124 -36124 8.1273 -9.6258 0.34655 5.317e+05 2024-05-19 07:48:28,263 INFO [main.py:798]
{rank 0/64} MD step = 280600 step time: 00:00:00.349515 Performance: 36.256 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-19 07:48:36,037 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280600 56120 70.66 -28344 7744.4 -36088 -36088 8.1308 -9.629 0.34615 5.3187e+05 2024-05-19 07:49:11,166 INFO [main.py:798]
{rank 0/64} MD step = 280700 step time: 00:00:00.373887 Performance: 36.257 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-19 07:49:19,049 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280700 56140 69.81 -28339 7651.3 -35990 -35990 8.1325 -9.631 0.34684 5.3209e+05 2024-05-19 07:49:53,165 INFO [main.py:798]
{rank 0/64} MD step = 280800 step time: 00:00:00.336071 Performance: 36.259 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-19 07:50:00,568 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280800 56160 69.962 -28523 7667.9 -36190 -36190 8.1358 -9.6348 0.34817 5.3226e+05 2024-05-19 07:50:34,430 INFO [main.py:798]
{rank 0/64} MD step = 280900 step time: 00:00:00.337522 Performance: 36.261 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-19 07:50:40,389 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280900 56180 70.205 -28455 7694.5 -36149 -36149 8.1379 -9.6357 0.3496 5.3248e+05 2024-05-19 07:51:14,343 INFO [main.py:798]
{rank 0/64} MD step = 281000 step time: 00:00:00.339690 Performance: 36.263 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-19 07:51:20,403 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281000 56200 70.369 -28445 7712.5 -36157 -36157 8.1406 -9.6384 0.34903 5.3269e+05 2024-05-19 07:51:56,267 INFO [main.py:798]
{rank 0/64} MD step = 281100 step time: 00:00:00.375395 Performance: 36.264 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-19 07:52:02,281 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281100 56220 70.969 -28533 7778.3 -36311 -36311 8.1417 -9.641 0.34846 5.3283e+05 2024-05-19 07:52:35,970 INFO [main.py:798]
{rank 0/64} MD step = 281200 step time: 00:00:00.343269 Performance: 36.266 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-19 07:52:42,699 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281200 56240 70.082 -28523 7681.1 -36204 -36204 8.143 -9.6422 0.34905 5.3304e+05 2024-05-19 07:53:17,239 INFO [main.py:798]
{rank 0/64} MD step = 281300 step time: 00:00:00.353623 Performance: 36.268 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-19 07:53:23,784 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281300 56260 68.856 -28751 7546.8 -36298 -36298 8.1452 -9.644 0.34911 5.3323e+05 2024-05-19 07:53:56,593 INFO [main.py:798]
{rank 0/64} MD step = 281400 step time: 00:00:00.353805 Performance: 36.270 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-19 07:54:01,873 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281400 56280 70.775 -28482 7757 -36239 -36239 8.1476 -9.647 0.34912 5.3339e+05 2024-05-19 07:54:36,609 INFO [main.py:798]
{rank 0/64} MD step = 281500 step time: 00:00:00.350047 Performance: 36.273 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-19 07:54:43,519 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281500 56300 69.494 -28525 7616.6 -36141 -36141 8.1492 -9.6498 0.34926 5.3359e+05 2024-05-19 07:55:17,765 INFO [main.py:798]
{rank 0/64} MD step = 281600 step time: 00:00:00.355827 Performance: 36.274 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-19 07:55:25,141 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281600 56320 69.592 -28488 7627.4 -36116 -36116 8.1516 -9.6527 0.34952 5.3383e+05 2024-05-19 07:55:59,556 INFO [main.py:798]
{rank 0/64} MD step = 281700 step time: 00:00:00.352533 Performance: 36.276 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-19 07:56:07,167 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281700 56340 70.945 -28396 7775.6 -36172 -36172 8.1557 -9.6544 0.34864 5.34e+05 2024-05-19 07:56:41,501 INFO [main.py:798]
{rank 0/64} MD step = 281800 step time: 00:00:00.340826 Performance: 36.277 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-19 07:56:45,929 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281800 56360 70.073 -28644 7680.1 -36324 -36324 8.159 -9.6581 0.35003 5.3417e+05 2024-05-19 07:57:22,422 INFO [main.py:798]
{rank 0/64} MD step = 281900 step time: 00:00:00.344735 Performance: 36.279 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-19 07:57:29,410 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281900 56380 69.504 -28622 7617.7 -36239 -36239 8.1614 -9.6598 0.35036 5.3439e+05 2024-05-19 07:58:03,962 INFO [main.py:798]
{rank 0/64} MD step = 282000 step time: 00:00:00.352129 Performance: 36.281 ns/day 0.662 hours/ns 2.100 steps/s 2024-05-19 07:58:09,394 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 282000 56400 70.852 -28455 7765.5 -36220 -36220 8.1652 -9.6637 0.35206 5.3461e+05 2024-05-19 07:58:44,589 INFO [main.py:798]
{rank 0/64} MD step = 282100 step time: 00:00:00.358109 Performance: 36.283 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-19 07:58:50,124 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 282100 56420 70.754 -28545 7754.7 -36300 -36300 8.169 -9.6652 0.35255 5.3479e+05 2024-05-19 07:59:24,672 INFO [main.py:798]
{rank 0/64} MD step = 282200 step time: 00:00:00.353014 Performance: 36.285 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-19 07:59:30,073 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 282200 56440 69.693 -28528 7638.4 -36166 -36166 8.1721 -9.6682 0.35171 5.3497e+05 2024-05-19 08:00:05,284 INFO [main.py:798]
{rank 0/64} MD step = 282300 step time: 00:00:00.327824 Performance: 36.287 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-19 08:00:22,177 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 282300 56460 69.601 -28637 7628.3 -36265 -36265 8.1741 -9.6726 0.35183 5.3513e+05 2024-05-19 08:00:56,156 INFO [main.py:798]
{rank 0/64} MD step = 282400 step time: 00:00:00.325626 Performance: 36.286 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-19 08:01:02,115 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 282400 56480 69.969 -28457 7668.7 -36126 -36126 8.1773 -9.6738 0.35257 5.3535e+05 2024-05-19 08:01:36,601 INFO [main.py:798]
{rank 0/64} MD step = 282500 step time: 00:00:00.326900 Performance: 36.288 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-19 08:02:22,682 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 282500 56500 71.07 -28393 7789.3 -36182 -36182 8.1804 -9.6767 0.35179 5.3553e+05 2024-05-19 08:02:56,976 INFO [main.py:798]
{rank 0/64} MD step = 282600 step time: 00:00:00.351876 Performance: 36.279 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-19 08:03:05,757 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 282600 56520 69.671 -28507 7636.1 -36143 -36143 8.1835 -9.6797 0.35122 5.357e+05 2024-05-19 08:03:39,555 INFO [main.py:798]
{rank 0/64} MD step = 282700 step time: 00:00:00.333696 Performance: 36.280 ns/day 0.662 hours/ns 2.100 steps/s 2024-05-19 08:04:05,341 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 282700 56540 70.054 -28426 7678 -36104 -36104 8.1853 -9.6823 0.3516 5.3591e+05 2024-05-19 08:04:40,033 INFO [main.py:798]
{rank 0/64} MD step = 282800 step time: 00:00:00.326079 Performance: 36.277 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-19 08:04:51,236 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 282800 56560 69.767 -28672 7646.6 -36319 -36319 8.1863 -9.6834 0.35272 5.3609e+05 2024-05-19 08:05:25,796 INFO [main.py:798]
{rank 0/64} MD step = 282900 step time: 00:00:00.350984 Performance: 36.277 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-19 08:05:30,630 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 282900 56580 68.862 -28683 7547.3 -36230 -36230 8.1865 -9.6874 0.35333 5.3629e+05 2024-05-19 08:06:06,992 INFO [main.py:798]
{rank 0/64} MD step = 283000 step time: 00:00:00.346772 Performance: 36.279 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-19 08:06:15,476 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 283000 56600 69.801 -28637 7650.2 -36287 -36287 8.1887 -9.6895 0.35377 5.3643e+05 2024-05-19 08:06:49,865 INFO [main.py:798]
{rank 0/64} MD step = 283100 step time: 00:00:00.369401 Performance: 36.280 ns/day 0.662 hours/ns 2.100 steps/s 2024-05-19 08:06:57,619 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 283100 56620 69.811 -28624 7651.4 -36275 -36275 8.1913 -9.6932 0.35347 5.3665e+05 2024-05-19 08:07:31,929 INFO [main.py:798]
{rank 0/64} MD step = 283200 step time: 00:00:00.349833 Performance: 36.282 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-19 08:07:38,042 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 283200 56640 70.143 -28379 7687.8 -36067 -36067 8.1962 -9.695 0.35389 5.3685e+05 2024-05-19 08:08:11,761 INFO [main.py:798]
{rank 0/64} MD step = 283300 step time: 00:00:00.328400 Performance: 36.284 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-19 08:08:23,536 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 283300 56660 69.699 -28528 7639.1 -36167 -36167 8.1995 -9.6967 0.35504 5.3697e+05 2024-05-19 08:08:57,370 INFO [main.py:798]
{rank 0/64} MD step = 283400 step time: 00:00:00.351568 Performance: 36.284 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-19 08:09:03,290 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 283400 56680 69.935 -28591 7665 -36256 -36256 8.2023 -9.7016 0.35404 5.3717e+05 2024-05-19 08:09:38,288 INFO [main.py:798]
{rank 0/64} MD step = 283500 step time: 00:00:00.347025 Performance: 36.286 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-19 08:09:44,681 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 283500 56700 69.353 -28687 7601.1 -36288 -36288 8.2066 -9.703 0.35351 5.3735e+05 2024-05-19 08:10:18,663 INFO [main.py:798]
{rank 0/64} MD step = 283600 step time: 00:00:00.349440 Performance: 36.288 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-19 08:10:23,796 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 283600 56720 70.157 -28576 7689.3 -36266 -36266 8.2102 -9.7062 0.35504 5.3751e+05 2024-05-19 08:10:58,494 INFO [main.py:798]
{rank 0/64} MD step = 283700 step time: 00:00:00.377218 Performance: 36.290 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-19 08:11:04,556 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 283700 56740 70.246 -28628 7699 -36328 -36328 8.2119 -9.7092 0.35432 5.3771e+05 2024-05-19 08:11:38,626 INFO [main.py:798]
{rank 0/64} MD step = 283800 step time: 00:00:00.360928 Performance: 36.292 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-19 08:11:44,518 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 283800 56760 70.776 -28369 7757.1 -36126 -36126 8.2151 -9.7119 0.35366 5.3795e+05 2024-05-19 08:12:18,877 INFO [main.py:798]
{rank 0/64} MD step = 283900 step time: 00:00:00.343180 Performance: 36.294 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-19 08:12:24,325 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 283900 56780 69.794 -28423 7649.5 -36072 -36072 8.219 -9.7145 0.35356 5.3813e+05 2024-05-19 08:12:59,256 INFO [main.py:798]
{rank 0/64} MD step = 284000 step time: 00:00:00.327770 Performance: 36.296 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-19 08:13:05,048 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 284000 56800 69.596 -28358 7627.8 -35985 -35985 8.2218 -9.7163 0.3537 5.3833e+05 2024-05-19 08:13:39,706 INFO [main.py:798]
{rank 0/64} MD step = 284100 step time: 00:00:00.327662 Performance: 36.298 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-19 08:13:47,092 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 284100 56820 69.256 -28486 7590.6 -36076 -36076 8.2246 -9.7194 0.35438 5.385e+05 2024-05-19 08:14:22,311 INFO [main.py:798]
{rank 0/64} MD step = 284200 step time: 00:00:00.358137 Performance: 36.299 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-19 08:14:29,926 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 284200 56840 70.228 -28576 7697.1 -36274 -36274 8.2259 -9.7227 0.35438 5.3868e+05 2024-05-19 08:15:04,718 INFO [main.py:798]
{rank 0/64} MD step = 284300 step time: 00:00:00.350845 Performance: 36.301 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-19 08:15:16,474 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 284300 56860 70.931 -28447 7774.1 -36221 -36221 8.2289 -9.7246 0.35598 5.3889e+05 2024-05-19 08:15:51,554 INFO [main.py:798]
{rank 0/64} MD step = 284400 step time: 00:00:00.333059 Performance: 36.301 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-19 08:16:01,475 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 284400 56880 70.631 -28490 7741.2 -36231 -36231 8.231 -9.729 0.35795 5.3907e+05 2024-05-19 08:16:35,836 INFO [main.py:798]
{rank 0/64} MD step = 284500 step time: 00:00:00.344502 Performance: 36.302 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-19 08:16:43,739 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 284500 56900 70.897 -28484 7770.4 -36254 -36254 8.2336 -9.7324 0.35568 5.3925e+05 2024-05-19 08:17:17,341 INFO [main.py:798]
{rank 0/64} MD step = 284600 step time: 00:00:00.337885 Performance: 36.304 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-19 08:17:23,735 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 284600 56920 69.895 -28494 7660.6 -36155 -36155 8.2352 -9.7354 0.35471 5.3951e+05 2024-05-19 08:17:58,220 INFO [main.py:798]
{rank 0/64} MD step = 284700 step time: 00:00:00.340979 Performance: 36.305 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-19 08:18:03,716 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 284700 56940 70.003 -28409 7672.4 -36082 -36082 8.2376 -9.7374 0.35512 5.3972e+05 2024-05-19 08:18:38,118 INFO [main.py:798]
{rank 0/64} MD step = 284800 step time: 00:00:00.350078 Performance: 36.307 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-19 08:18:48,012 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 284800 56960 69.403 -28535 7606.7 -36142 -36142 8.2393 -9.7408 0.35552 5.3987e+05 2024-05-19 08:19:22,209 INFO [main.py:798]
{rank 0/64} MD step = 284900 step time: 00:00:00.352400 Performance: 36.308 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-19 08:19:27,611 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 284900 56980 69.477 -28570 7614.8 -36185 -36185 8.24 -9.7433 0.35466 5.4008e+05 2024-05-19 08:20:02,675 INFO [main.py:798]
{rank 0/64} MD step = 285000 step time: 00:00:00.335010 Performance: 36.310 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-19 08:20:08,635 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 285000 57000 70.106 -28460 7683.7 -36144 -36144 8.2426 -9.7463 0.35427 5.4023e+05 2024-05-19 08:20:43,831 INFO [main.py:798]
{rank 0/64} MD step = 285100 step time: 00:00:00.367896 Performance: 36.312 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-19 08:20:49,699 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 285100 57020 70.432 -28452 7719.4 -36172 -36172 8.2438 -9.7474 0.35438 5.404e+05 2024-05-19 08:21:23,571 INFO [main.py:798]
{rank 0/64} MD step = 285200 step time: 00:00:00.348151 Performance: 36.314 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-19 08:21:29,948 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 285200 57040 69.189 -28397 7583.2 -35981 -35981 8.2464 -9.7502 0.35347 5.4063e+05 2024-05-19 08:22:04,229 INFO [main.py:798]
{rank 0/64} MD step = 285300 step time: 00:00:00.355035 Performance: 36.316 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-19 08:22:10,238 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 285300 57060 69.439 -28499 7610.6 -36110 -36110 8.248 -9.752 0.3532 5.408e+05 2024-05-19 08:22:44,372 INFO [main.py:798]
{rank 0/64} MD step = 285400 step time: 00:00:00.356225 Performance: 36.318 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-19 08:22:49,919 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 285400 57080 70.116 -28552 7684.8 -36237 -36237 8.2498 -9.7554 0.35221 5.4096e+05 2024-05-19 08:23:23,885 INFO [main.py:798]
{rank 0/64} MD step = 285500 step time: 00:00:00.354599 Performance: 36.320 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-19 08:23:31,129 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 285500 57100 69.931 -28680 7664.6 -36345 -36345 8.2516 -9.7588 0.35292 5.4113e+05 2024-05-19 08:24:05,052 INFO [main.py:798]
{rank 0/64} MD step = 285600 step time: 00:00:00.363558 Performance: 36.322 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-19 08:24:13,361 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 285600 57120 70.74 -28469 7753.2 -36222 -36222 8.2534 -9.7617 0.35303 5.413e+05 2024-05-19 08:24:47,094 INFO [main.py:798]
{rank 0/64} MD step = 285700 step time: 00:00:00.349095 Performance: 36.323 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-19 08:24:54,221 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 285700 57140 69.862 -28578 7657 -36235 -36235 8.2544 -9.7652 0.35332 5.415e+05 2024-05-19 08:25:28,023 INFO [main.py:798]
{rank 0/64} MD step = 285800 step time: 00:00:00.329587 Performance: 36.325 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-19 08:25:35,551 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 285800 57160 70.66 -28393 7744.4 -36137 -36137 8.2549 -9.7684 0.35501 5.4169e+05 2024-05-19 08:26:08,768 INFO [main.py:798]
{rank 0/64} MD step = 285900 step time: 00:00:00.352982 Performance: 36.327 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-19 08:26:19,678 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 285900 57180 69.678 -28672 7636.8 -36309 -36309 8.255 -9.7714 0.35479 5.4185e+05 2024-05-19 08:26:53,556 INFO [main.py:798]
{rank 0/64} MD step = 286000 step time: 00:00:00.351086 Performance: 36.328 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-19 08:27:08,592 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286000 57200 69.757 -28459 7645.5 -36104 -36104 8.2551 -9.7742 0.35533 5.4205e+05 2024-05-19 08:27:43,719 INFO [main.py:798]
{rank 0/64} MD step = 286100 step time: 00:00:00.370058 Performance: 36.327 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-19 08:27:50,039 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286100 57220 70.622 -28490 7740.3 -36230 -36230 8.2546 -9.7766 0.35498 5.4223e+05 2024-05-19 08:28:27,298 INFO [main.py:798]
{rank 0/64} MD step = 286200 step time: 00:00:00.338115 Performance: 36.328 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-19 08:28:43,282 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286200 57240 70.137 -28682 7687.1 -36369 -36369 8.2543 -9.7774 0.35682 5.424e+05 2024-05-19 08:29:17,348 INFO [main.py:798]
{rank 0/64} MD step = 286300 step time: 00:00:00.339442 Performance: 36.327 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-19 08:29:30,338 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286300 57260 70.558 -28628 7733.2 -36361 -36361 8.253 -9.78 0.35859 5.4256e+05 2024-05-19 08:30:05,482 INFO [main.py:798]
{rank 0/64} MD step = 286400 step time: 00:00:00.352212 Performance: 36.327 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-19 08:30:16,279 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286400 57280 68.713 -28705 7531 -36236 -36236 8.2524 -9.7805 0.35945 5.4276e+05 2024-05-19 08:30:51,112 INFO [main.py:798]
{rank 0/64} MD step = 286500 step time: 00:00:00.326801 Performance: 36.328 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-19 08:31:07,917 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286500 57300 70.433 -28521 7719.6 -36241 -36241 8.2503 -9.7831 0.36062 5.43e+05 2024-05-19 08:31:42,919 INFO [main.py:798]
{rank 0/64} MD step = 286600 step time: 00:00:00.366492 Performance: 36.327 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-19 08:31:51,357 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286600 57320 70.104 -28701 7683.5 -36385 -36385 8.2504 -9.7865 0.36097 5.4313e+05 2024-05-19 08:32:25,458 INFO [main.py:798]
{rank 0/64} MD step = 286700 step time: 00:00:00.337486 Performance: 36.328 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-19 08:32:36,191 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286700 57340 69.941 -28634 7665.6 -36300 -36300 8.2509 -9.7899 0.36073 5.4335e+05 2024-05-19 08:33:10,032 INFO [main.py:798]
{rank 0/64} MD step = 286800 step time: 00:00:00.345380 Performance: 36.329 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-19 08:33:22,421 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286800 57360 69.204 -28750 7584.9 -36334 -36334 8.2511 -9.7919 0.36021 5.4353e+05 2024-05-19 08:33:56,312 INFO [main.py:798]
{rank 0/64} MD step = 286900 step time: 00:00:00.338953 Performance: 36.329 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-19 08:34:05,405 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286900 57380 70.338 -28684 7709.1 -36393 -36393 8.2506 -9.7939 0.36065 5.4371e+05 2024-05-19 08:34:39,413 INFO [main.py:798]
{rank 0/64} MD step = 287000 step time: 00:00:00.347213 Performance: 36.330 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-19 08:34:52,650 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 287000 57400 69.795 -28591 7649.7 -36240 -36240 8.2493 -9.7947 0.36126 5.439e+05 2024-05-19 08:35:27,484 INFO [main.py:798]
{rank 0/64} MD step = 287100 step time: 00:00:00.343822 Performance: 36.330 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-19 08:35:34,488 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 287100 57420 69.541 -28584 7621.8 -36206 -36206 8.2484 -9.7964 0.36293 5.4412e+05 2024-05-19 08:36:08,919 INFO [main.py:798]
{rank 0/64} MD step = 287200 step time: 00:00:00.351662 Performance: 36.332 ns/day 0.661 hours/ns 2.103 steps/s 2024-05-19 08:36:15,728 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 287200 57440 70.079 -28507 7680.8 -36187 -36187 8.2466 -9.7974 0.36347 5.4433e+05 2024-05-19 08:36:50,232 INFO [main.py:798]
{rank 0/64} MD step = 287300 step time: 00:00:00.344074 Performance: 36.333 ns/day 0.661 hours/ns 2.103 steps/s 2024-05-19 08:36:56,477 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 287300 57460 69.84 -28629 7654.6 -36284 -36284 8.2453 -9.7999 0.36293 5.4455e+05 2024-05-19 08:37:32,394 INFO [main.py:798]
{rank 0/64} MD step = 287400 step time: 00:00:00.372668 Performance: 36.335 ns/day 0.661 hours/ns 2.103 steps/s 2024-05-19 08:37:38,828 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 287400 57480 70.096 -28586 7682.6 -36269 -36269 8.2432 -9.8028 0.36307 5.4473e+05 2024-05-19 08:38:12,517 INFO [main.py:798]
{rank 0/64} MD step = 287500 step time: 00:00:00.332224 Performance: 36.337 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-19 08:38:19,935 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 287500 57500 70.346 -28598 7710 -36308 -36308 8.2424 -9.8036 0.36501 5.4491e+05 2024-05-19 08:38:54,118 INFO [main.py:798]
{rank 0/64} MD step = 287600 step time: 00:00:00.341632 Performance: 36.338 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-19 08:39:00,785 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 287600 57520 69.195 -28558 7583.8 -36142 -36142 8.242 -9.8078 0.36606 5.4513e+05 2024-05-19 08:39:36,192 INFO [main.py:798]
{rank 0/64} MD step = 287700 step time: 00:00:00.343982 Performance: 36.340 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-19 08:39:42,887 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 287700 57540 70.047 -28566 7677.2 -36243 -36243 8.2416 -9.8106 0.36695 5.4531e+05 2024-05-19 08:40:17,033 INFO [main.py:798]
{rank 0/64} MD step = 287800 step time: 00:00:00.343575 Performance: 36.342 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-19 08:40:24,353 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 287800 57560 70.003 -28438 7672.4 -36111 -36111 8.24 -9.8124 0.36733 5.4553e+05 2024-05-19 08:40:58,415 INFO [main.py:798]
{rank 0/64} MD step = 287900 step time: 00:00:00.354198 Performance: 36.343 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-19 08:41:04,945 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 287900 57580 69.46 -28583 7612.9 -36196 -36196 8.2393 -9.8146 0.36619 5.4568e+05 2024-05-19 08:41:39,717 INFO [main.py:798]
{rank 0/64} MD step = 288000 step time: 00:00:00.353060 Performance: 36.345 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-19 08:41:45,827 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 288000 57600 69.708 -28650 7640.1 -36290 -36290 8.2396 -9.8169 0.36757 5.4588e+05 2024-05-19 08:42:20,152 INFO [main.py:798]
{rank 0/64} MD step = 288100 step time: 00:00:00.364020 Performance: 36.347 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-19 08:42:31,889 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 288100 57620 70.874 -28365 7767.9 -36133 -36133 8.2382 -9.8202 0.36812 5.461e+05 2024-05-19 08:43:06,519 INFO [main.py:798]
{rank 0/64} MD step = 288200 step time: 00:00:00.359856 Performance: 36.347 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-19 08:43:12,921 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 288200 57640 69.897 -28293 7660.8 -35954 -35954 8.2371 -9.8224 0.36772 5.4632e+05 2024-05-19 08:43:47,374 INFO [main.py:798]
{rank 0/64} MD step = 288300 step time: 00:00:00.355293 Performance: 36.349 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-19 08:43:53,476 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 288300 57660 70.04 -28532 7676.5 -36208 -36208 8.2323 -9.8244 0.36908 5.465e+05 2024-05-19 08:44:27,369 INFO [main.py:798]
{rank 0/64} MD step = 288400 step time: 00:00:00.335572 Performance: 36.351 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-19 08:44:37,980 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 288400 57680 70.77 -28416 7756.5 -36172 -36172 8.2315 -9.8271 0.37057 5.4668e+05 2024-05-19 08:45:13,385 INFO [main.py:798]
{rank 0/64} MD step = 288500 step time: 00:00:00.348102 Performance: 36.351 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-19 08:45:20,888 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 288500 57700 69.847 -28456 7655.3 -36111 -36111 8.2321 -9.8279 0.37111 5.4691e+05 2024-05-19 08:45:55,747 INFO [main.py:798]
{rank 0/64} MD step = 288600 step time: 00:00:00.352695 Performance: 36.353 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-19 08:46:07,377 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 288600 57720 70.002 -28515 7672.3 -36188 -36188 8.232 -9.8312 0.37175 5.4712e+05 2024-05-19 08:46:41,015 INFO [main.py:798]
{rank 0/64} MD step = 288700 step time: 00:00:00.343549 Performance: 36.353 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-19 08:46:48,127 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 288700 57740 69.053 -28729 7568.3 -36297 -36297 8.2317 -9.8336 0.37235 5.4724e+05 2024-05-19 08:47:22,608 INFO [main.py:798]
{rank 0/64} MD step = 288800 step time: 00:00:00.352235 Performance: 36.355 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-19 08:47:29,593 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 288800 57760 70.074 -28519 7680.2 -36199 -36199 8.2265 -9.8362 0.37268 5.4748e+05 2024-05-19 08:48:03,602 INFO [main.py:798]
{rank 0/64} MD step = 288900 step time: 00:00:00.352538 Performance: 36.357 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-19 08:48:13,480 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 288900 57780 70.142 -28630 7687.6 -36318 -36318 8.2256 -9.8381 0.37524 5.4766e+05 2024-05-19 08:48:48,239 INFO [main.py:798]
{rank 0/64} MD step = 289000 step time: 00:00:00.376736 Performance: 36.357 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-19 08:48:54,822 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 289000 57800 69.671 -28401 7636 -36037 -36037 8.2262 -9.8402 0.37617 5.4786e+05 2024-05-19 08:49:28,473 INFO [main.py:798]
{rank 0/64} MD step = 289100 step time: 00:00:00.339841 Performance: 36.359 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-19 08:49:36,226 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 289100 57820 69.444 -28675 7611.1 -36286 -36286 8.2239 -9.8432 0.37567 5.4801e+05 2024-05-19 08:50:10,240 INFO [main.py:798]
{rank 0/64} MD step = 289200 step time: 00:00:00.352761 Performance: 36.361 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-19 08:50:17,218 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 289200 57840 70.199 -28466 7693.9 -36160 -36160 8.2215 -9.8459 0.37573 5.4826e+05 2024-05-19 08:50:51,366 INFO [main.py:798]
{rank 0/64} MD step = 289300 step time: 00:00:00.341087 Performance: 36.363 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-19 08:50:58,039 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 289300 57860 69.508 -28489 7618.2 -36107 -36107 8.2189 -9.8474 0.37587 5.4844e+05 2024-05-19 08:51:32,737 INFO [main.py:798]
{rank 0/64} MD step = 289400 step time: 00:00:00.358499 Performance: 36.364 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-19 08:51:37,439 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 289400 57880 70.451 -28433 7721.5 -36154 -36154 8.2186 -9.8486 0.37808 5.4865e+05 2024-05-19 08:52:12,818 INFO [main.py:798]
{rank 0/64} MD step = 289500 step time: 00:00:00.348250 Performance: 36.366 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-19 08:52:19,018 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 289500 57900 69.821 -28501 7652.5 -36154 -36154 8.2191 -9.851 0.38042 5.4884e+05 2024-05-19 08:52:53,191 INFO [main.py:798]
{rank 0/64} MD step = 289600 step time: 00:00:00.354243 Performance: 36.368 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-19 08:52:59,558 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 289600 57920 69.782 -28664 7648.2 -36312 -36312 8.2185 -9.8531 0.38175 5.4898e+05 2024-05-19 08:53:33,997 INFO [main.py:798]
{rank 0/64} MD step = 289700 step time: 00:00:00.339205 Performance: 36.370 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-19 08:53:48,025 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 289700 57940 70.258 -28658 7700.4 -36359 -36359 8.2188 -9.855 0.38261 5.4919e+05 2024-05-19 08:54:22,053 INFO [main.py:798]
{rank 0/64} MD step = 289800 step time: 00:00:00.336319 Performance: 36.370 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-19 08:54:27,930 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 289800 57960 69.929 -28643 7664.3 -36307 -36307 8.2202 -9.8576 0.38343 5.4936e+05 2024-05-19 08:55:04,157 INFO [main.py:798]
{rank 0/64} MD step = 289900 step time: 00:00:00.378894 Performance: 36.371 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-19 08:55:12,210 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 289900 57980 70.441 -28612 7720.4 -36333 -36333 8.2217 -9.8595 0.38414 5.4956e+05 2024-05-19 08:55:46,732 INFO [main.py:798]
{rank 0/64} MD step = 290000 step time: 00:00:00.361108 Performance: 36.372 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-19 08:55:55,315 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 290000 58000 69.846 -28352 7655.2 -36007 -36007 8.2222 -9.8611 0.38457 5.4984e+05 2024-05-19 08:56:30,588 INFO [main.py:798]
{rank 0/64} MD step = 290100 step time: 00:00:00.331724 Performance: 36.373 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-19 08:56:37,699 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 290100 58020 70.679 -28355 7746.6 -36102 -36102 8.2249 -9.8624 0.38541 5.5004e+05 2024-05-19 08:57:12,167 INFO [main.py:798]
{rank 0/64} MD step = 290200 step time: 00:00:00.325377 Performance: 36.375 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-19 08:57:22,126 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 290200 58040 69.246 -28686 7589.4 -36276 -36276 8.2284 -9.8645 0.38735 5.5016e+05 2024-05-19 08:57:56,479 INFO [main.py:798]
{rank 0/64} MD step = 290300 step time: 00:00:00.369436 Performance: 36.376 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-19 08:58:03,283 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 290300 58060 69.169 -28700 7581 -36281 -36281 8.2296 -9.8662 0.38794 5.5038e+05 2024-05-19 08:58:40,013 INFO [main.py:798]
{rank 0/64} MD step = 290400 step time: 00:00:00.325452 Performance: 36.377 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-19 08:58:47,065 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 290400 58080 69.415 -28655 7608 -36263 -36263 8.2337 -9.8679 0.38919 5.5054e+05 2024-05-19 08:59:21,410 INFO [main.py:798]
{rank 0/64} MD step = 290500 step time: 00:00:00.350614 Performance: 36.378 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-19 08:59:27,538 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 290500 58100 69.799 -28498 7650 -36148 -36148 8.2368 -9.869 0.38943 5.5074e+05 2024-05-19 09:00:02,501 INFO [main.py:798]
{rank 0/64} MD step = 290600 step time: 00:00:00.353710 Performance: 36.380 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-19 09:00:10,699 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 290600 58120 69.358 -28586 7601.7 -36188 -36188 8.2377 -9.8715 0.38876 5.5092e+05 2024-05-19 09:00:45,102 INFO [main.py:798]
{rank 0/64} MD step = 290700 step time: 00:00:00.350909 Performance: 36.381 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-19 09:00:54,358 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 290700 58140 69.95 -28645 7666.6 -36312 -36312 8.2368 -9.8731 0.39012 5.5107e+05 2024-05-19 09:01:28,876 INFO [main.py:798]
{rank 0/64} MD step = 290800 step time: 00:00:00.351205 Performance: 36.382 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-19 09:01:37,230 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 290800 58160 69.806 -28632 7650.8 -36283 -36283 8.2385 -9.8766 0.39011 5.513e+05 2024-05-19 09:02:11,264 INFO [main.py:798]
{rank 0/64} MD step = 290900 step time: 00:00:00.338698 Performance: 36.384 ns/day 0.660 hours/ns 2.106 steps/s 2024-05-19 09:02:19,427 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 290900 58180 69.978 -28619 7669.6 -36288 -36288 8.2363 -9.8784 0.38998 5.5147e+05 2024-05-19 09:02:54,333 INFO [main.py:798]
{rank 0/64} MD step = 291000 step time: 00:00:00.349083 Performance: 36.385 ns/day 0.660 hours/ns 2.106 steps/s 2024-05-19 09:03:00,860 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 291000 58200 69.057 -28565 7568.8 -36133 -36133 8.2344 -9.8797 0.39137 5.5168e+05 2024-05-19 09:03:35,157 INFO [main.py:798]
{rank 0/64} MD step = 291100 step time: 00:00:00.340199 Performance: 36.387 ns/day 0.660 hours/ns 2.106 steps/s 2024-05-19 09:03:43,179 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 291100 58220 71.49 -28468 7835.4 -36303 -36303 8.2348 -9.8819 0.39126 5.5186e+05 2024-05-19 09:04:17,205 INFO [main.py:798]
{rank 0/64} MD step = 291200 step time: 00:00:00.339367 Performance: 36.388 ns/day 0.660 hours/ns 2.106 steps/s 2024-05-19 09:04:23,851 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 291200 58240 70.067 -28502 7679.4 -36182 -36182 8.2346 -9.8845 0.39266 5.5212e+05 2024-05-19 09:04:58,340 INFO [main.py:798]
{rank 0/64} MD step = 291300 step time: 00:00:00.345916 Performance: 36.390 ns/day 0.660 hours/ns 2.106 steps/s 2024-05-19 09:05:05,040 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 291300 58260 70.203 -28573 7694.4 -36267 -36267 8.2345 -9.8868 0.39357 5.5229e+05 2024-05-19 09:05:39,130 INFO [main.py:798]
{rank 0/64} MD step = 291400 step time: 00:00:00.351760 Performance: 36.391 ns/day 0.659 hours/ns 2.106 steps/s 2024-05-19 09:05:47,035 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 291400 58280 70.538 -28483 7731 -36214 -36214 8.2338 -9.8882 0.39393 5.525e+05 2024-05-19 09:06:21,207 INFO [main.py:798]
{rank 0/64} MD step = 291500 step time: 00:00:00.335246 Performance: 36.393 ns/day 0.659 hours/ns 2.106 steps/s 2024-05-19 09:06:27,909 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 291500 58300 70.437 -28659 7720 -36379 -36379 8.2353 -9.8916 0.39454 5.5266e+05 2024-05-19 09:07:02,462 INFO [main.py:798]
{rank 0/64} MD step = 291600 step time: 00:00:00.336640 Performance: 36.395 ns/day 0.659 hours/ns 2.106 steps/s 2024-05-19 09:07:08,701 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 291600 58320 69.325 -28662 7598.1 -36260 -36260 8.2356 -9.8924 0.39497 5.529e+05 2024-05-19 09:07:45,240 INFO [main.py:798]
{rank 0/64} MD step = 291700 step time: 00:00:00.368530 Performance: 36.396 ns/day 0.659 hours/ns 2.106 steps/s 2024-05-19 09:07:51,100 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 291700 58340 69.948 -28591 7666.4 -36257 -36257 8.2333 -9.894 0.39395 5.5307e+05 2024-05-19 09:08:27,913 INFO [main.py:798]
{rank 0/64} MD step = 291800 step time: 00:00:00.375279 Performance: 36.397 ns/day 0.659 hours/ns 2.106 steps/s 2024-05-19 09:08:34,020 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 291800 58360 70.319 -28544 7707.1 -36251 -36251 8.2319 -9.8964 0.39488 5.5326e+05 2024-05-19 09:09:08,569 INFO [main.py:798]
{rank 0/64} MD step = 291900 step time: 00:00:00.350242 Performance: 36.399 ns/day 0.659 hours/ns 2.106 steps/s 2024-05-19 09:09:12,493 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 291900 58380 69.673 -28747 7636.3 -36383 -36383 8.2322 -9.8962 0.39419 5.5343e+05 2024-05-19 09:09:48,685 INFO [main.py:798]
{rank 0/64} MD step = 292000 step time: 00:00:00.349188 Performance: 36.401 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-19 09:09:54,431 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292000 58400 69.642 -28641 7632.9 -36274 -36274 8.231 -9.8972 0.39386 5.5362e+05 2024-05-19 09:10:29,040 INFO [main.py:798]
{rank 0/64} MD step = 292100 step time: 00:00:00.342774 Performance: 36.403 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-19 09:10:36,475 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292100 58420 70.132 -28514 7686.6 -36201 -36201 8.2296 -9.8991 0.39347 5.538e+05 2024-05-19 09:11:11,113 INFO [main.py:798]
{rank 0/64} MD step = 292200 step time: 00:00:00.353682 Performance: 36.404 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-19 09:11:18,289 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292200 58440 70.774 -28541 7756.9 -36298 -36298 8.2297 -9.9015 0.39545 5.5399e+05 2024-05-19 09:11:53,506 INFO [main.py:798]
{rank 0/64} MD step = 292300 step time: 00:00:00.346357 Performance: 36.405 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-19 09:12:00,703 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292300 58460 68.867 -28734 7547.9 -36281 -36281 8.2297 -9.9031 0.39492 5.5417e+05 2024-05-19 09:12:35,170 INFO [main.py:798]
{rank 0/64} MD step = 292400 step time: 00:00:00.327845 Performance: 36.407 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-19 09:12:41,162 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292400 58480 70.32 -28530 7707.2 -36237 -36237 8.2337 -9.9043 0.3945 5.544e+05 2024-05-19 09:13:15,088 INFO [main.py:798]
{rank 0/64} MD step = 292500 step time: 00:00:00.332988 Performance: 36.409 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-19 09:13:22,563 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292500 58500 70.399 -28480 7715.9 -36196 -36196 8.2363 -9.9059 0.39532 5.5458e+05 2024-05-19 09:13:57,234 INFO [main.py:798]
{rank 0/64} MD step = 292600 step time: 00:00:00.353102 Performance: 36.410 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-19 09:14:04,005 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292600 58520 69.98 -28708 7669.9 -36378 -36378 8.2365 -9.909 0.39551 5.5473e+05 2024-05-19 09:14:38,125 INFO [main.py:798]
{rank 0/64} MD step = 292700 step time: 00:00:00.358813 Performance: 36.412 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-19 09:14:43,668 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292700 58540 69.502 -28743 7617.5 -36361 -36361 8.2371 -9.9107 0.39444 5.5494e+05 2024-05-19 09:15:17,741 INFO [main.py:798]
{rank 0/64} MD step = 292800 step time: 00:00:00.347577 Performance: 36.414 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-19 09:15:23,174 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292800 58560 70.496 -28581 7726.5 -36308 -36308 8.2406 -9.9123 0.39541 5.5512e+05 2024-05-19 09:15:57,498 INFO [main.py:798]
{rank 0/64} MD step = 292900 step time: 00:00:00.347314 Performance: 36.416 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-19 09:16:02,476 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292900 58580 69.712 -28729 7640.5 -36370 -36370 8.2421 -9.9156 0.39518 5.5534e+05 2024-05-19 09:16:39,323 INFO [main.py:798]
{rank 0/64} MD step = 293000 step time: 00:00:00.350637 Performance: 36.418 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-19 09:16:48,617 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 293000 58600 70.103 -28439 7683.4 -36122 -36122 8.2434 -9.9175 0.39539 5.5558e+05 2024-05-19 09:17:23,290 INFO [main.py:798]
{rank 0/64} MD step = 293100 step time: 00:00:00.354834 Performance: 36.418 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-19 09:17:30,373 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 293100 58620 69.572 -28461 7625.2 -36086 -36086 8.2435 -9.9184 0.39661 5.5579e+05 2024-05-19 09:18:04,688 INFO [main.py:798]
{rank 0/64} MD step = 293200 step time: 00:00:00.351093 Performance: 36.420 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-19 09:18:11,859 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 293200 58640 70.573 -28553 7734.9 -36288 -36288 8.2439 -9.9212 0.39597 5.5593e+05 2024-05-19 09:18:46,178 INFO [main.py:798]
{rank 0/64} MD step = 293300 step time: 00:00:00.342077 Performance: 36.422 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-19 09:18:52,794 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 293300 58660 70.348 -28519 7710.2 -36229 -36229 8.2419 -9.9238 0.3973 5.5615e+05 2024-05-19 09:19:27,934 INFO [main.py:798]
{rank 0/64} MD step = 293400 step time: 00:00:00.351633 Performance: 36.423 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-19 09:19:33,312 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 293400 58680 69.396 -28606 7605.9 -36212 -36212 8.2416 -9.9255 0.39747 5.563e+05 2024-05-19 09:20:08,913 INFO [main.py:798]
{rank 0/64} MD step = 293500 step time: 00:00:00.368046 Performance: 36.425 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-19 09:20:14,929 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 293500 58700 70.505 -28483 7727.4 -36210 -36210 8.2403 -9.9271 0.39694 5.5654e+05 2024-05-19 09:20:49,095 INFO [main.py:798]
{rank 0/64} MD step = 293600 step time: 00:00:00.349853 Performance: 36.427 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-19 09:20:55,541 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 293600 58720 70.022 -28690 7674.5 -36364 -36364 8.2401 -9.9287 0.39763 5.5672e+05 2024-05-19 09:21:30,998 INFO [main.py:798]
{rank 0/64} MD step = 293700 step time: 00:00:00.375597 Performance: 36.428 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-19 09:21:35,873 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 293700 58740 69.443 -28640 7611.1 -36251 -36251 8.2423 -9.9299 0.39773 5.5697e+05 2024-05-19 09:22:09,848 INFO [main.py:798]
{rank 0/64} MD step = 293800 step time: 00:00:00.337811 Performance: 36.430 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-19 09:22:16,827 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 293800 58760 69.002 -28634 7562.7 -36197 -36197 8.242 -9.931 0.39922 5.5715e+05 2024-05-19 09:22:51,330 INFO [main.py:798]
{rank 0/64} MD step = 293900 step time: 00:00:00.352205 Performance: 36.432 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-19 09:22:56,990 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 293900 58780 70.32 -28403 7707.2 -36111 -36111 8.2434 -9.9333 0.39823 5.5736e+05 2024-05-19 09:23:31,704 INFO [main.py:798]
{rank 0/64} MD step = 294000 step time: 00:00:00.344373 Performance: 36.434 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-19 09:23:37,814 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294000 58800 70.056 -28625 7678.2 -36303 -36303 8.2431 -9.9358 0.39852 5.5755e+05 2024-05-19 09:24:12,065 INFO [main.py:798]
{rank 0/64} MD step = 294100 step time: 00:00:00.348200 Performance: 36.436 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-19 09:24:16,482 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294100 58820 69.485 -28565 7615.7 -36180 -36180 8.2433 -9.9396 0.39784 5.5776e+05 2024-05-19 09:24:52,354 INFO [main.py:798]
{rank 0/64} MD step = 294200 step time: 00:00:00.350633 Performance: 36.437 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-19 09:24:58,126 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294200 58840 70.52 -28405 7729 -36134 -36134 8.2432 -9.9427 0.39846 5.5796e+05 2024-05-19 09:25:33,703 INFO [main.py:798]
{rank 0/64} MD step = 294300 step time: 00:00:00.348468 Performance: 36.439 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-19 09:25:40,906 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294300 58860 68.993 -28676 7561.8 -36238 -36238 8.243 -9.9448 0.39865 5.5815e+05 2024-05-19 09:26:15,619 INFO [main.py:798]
{rank 0/64} MD step = 294400 step time: 00:00:00.354470 Performance: 36.440 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-19 09:26:28,449 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294400 58880 69.018 -28685 7564.4 -36249 -36249 8.2417 -9.9494 0.39926 5.583e+05 2024-05-19 09:27:02,899 INFO [main.py:798]
{rank 0/64} MD step = 294500 step time: 00:00:00.346461 Performance: 36.441 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-19 09:27:10,147 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294500 58900 69.174 -28607 7581.5 -36188 -36188 8.2419 -9.9527 0.40014 5.5848e+05 2024-05-19 09:27:44,680 INFO [main.py:798]
{rank 0/64} MD step = 294600 step time: 00:00:00.325823 Performance: 36.442 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-19 09:27:51,017 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294600 58920 70.182 -28441 7692.1 -36134 -36134 8.2407 -9.955 0.40045 5.5866e+05 2024-05-19 09:28:25,720 INFO [main.py:798]
{rank 0/64} MD step = 294700 step time: 00:00:00.326531 Performance: 36.444 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-19 09:28:30,559 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294700 58940 69.693 -28630 7638.4 -36268 -36268 8.2396 -9.9586 0.40145 5.5883e+05 2024-05-19 09:29:06,345 INFO [main.py:798]
{rank 0/64} MD step = 294800 step time: 00:00:00.324883 Performance: 36.445 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-19 09:29:13,240 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294800 58960 69.277 -28509 7592.9 -36102 -36102 8.236 -9.9617 0.40067 5.5907e+05 2024-05-19 09:29:48,149 INFO [main.py:798]
{rank 0/64} MD step = 294900 step time: 00:00:00.326900 Performance: 36.447 ns/day 0.658 hours/ns 2.109 steps/s 2024-05-19 09:29:53,082 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294900 58980 71.244 -28317 7808.4 -36125 -36125 8.2346 -9.9647 0.4028 5.5926e+05 2024-05-19 09:30:30,137 INFO [main.py:798]
{rank 0/64} MD step = 295000 step time: 00:00:00.330168 Performance: 36.448 ns/day 0.658 hours/ns 2.109 steps/s 2024-05-19 09:30:36,164 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 295000 59000 69.901 -28431 7661.2 -36092 -36092 8.2338 -9.967 0.40419 5.594e+05 2024-05-19 09:31:11,772 INFO [main.py:798]
{rank 0/64} MD step = 295100 step time: 00:00:00.326638 Performance: 36.450 ns/day 0.658 hours/ns 2.109 steps/s 2024-05-19 09:31:17,371 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 295100 59020 69.78 -28447 7647.9 -36095 -36095 8.2326 -9.9719 0.40406 5.5959e+05 2024-05-19 09:31:53,103 INFO [main.py:798]
{rank 0/64} MD step = 295200 step time: 00:00:00.327103 Performance: 36.451 ns/day 0.658 hours/ns 2.109 steps/s 2024-05-19 09:31:58,827 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 295200 59040 69.479 -28472 7615 -36087 -36087 8.2315 -9.9741 0.40469 5.5982e+05 2024-05-19 09:32:33,005 INFO [main.py:798]
{rank 0/64} MD step = 295300 step time: 00:00:00.342678 Performance: 36.453 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-19 09:32:38,640 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 295300 59060 69.918 -28430 7663.1 -36093 -36093 8.2314 -9.9778 0.40646 5.6e+05 2024-05-19 09:33:12,774 INFO [main.py:798]
{rank 0/64} MD step = 295400 step time: 00:00:00.346746 Performance: 36.455 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-19 09:33:19,308 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 295400 59080 71.54 -28172 7840.9 -36013 -36013 8.2286 -9.9808 0.40837 5.6021e+05 2024-05-19 09:33:53,584 INFO [main.py:798]
{rank 0/64} MD step = 295500 step time: 00:00:00.353064 Performance: 36.457 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-19 09:34:00,748 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 295500 59100 69.287 -28487 7593.9 -36081 -36081 8.2261 -9.9826 0.40814 5.604e+05 2024-05-19 09:34:35,929 INFO [main.py:798]
{rank 0/64} MD step = 295600 step time: 00:00:00.353461 Performance: 36.458 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-19 09:34:41,556 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 295600 59120 70.253 -28233 7699.8 -35932 -35932 8.2238 -9.9852 0.40899 5.6061e+05 2024-05-19 09:35:15,677 INFO [main.py:798]
{rank 0/64} MD step = 295700 step time: 00:00:00.355019 Performance: 36.460 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-19 09:35:23,401 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 295700 59140 69.992 -28234 7671.2 -35905 -35905 8.2233 -9.9899 0.41089 5.608e+05 2024-05-19 09:35:57,663 INFO [main.py:798]
{rank 0/64} MD step = 295800 step time: 00:00:00.351433 Performance: 36.462 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-19 09:36:05,003 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 295800 59160 70.523 -28234 7729.4 -35963 -35963 8.2211 -9.9924 0.41101 5.6099e+05 2024-05-19 09:36:39,560 INFO [main.py:798]
{rank 0/64} MD step = 295900 step time: 00:00:00.355105 Performance: 36.463 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-19 09:36:46,354 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 295900 59180 69.961 -28438 7667.8 -36106 -36106 8.2203 -9.9947 0.41025 5.6114e+05 2024-05-19 09:37:20,844 INFO [main.py:798]
{rank 0/64} MD step = 296000 step time: 00:00:00.349388 Performance: 36.465 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-19 09:37:26,354 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296000 59200 71.076 -28264 7790 -36054 -36054 8.2205 -9.999 0.41029 5.6137e+05 2024-05-19 09:38:00,864 INFO [main.py:798]
{rank 0/64} MD step = 296100 step time: 00:00:00.359038 Performance: 36.467 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-19 09:38:05,626 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296100 59220 70.138 -28251 7687.2 -35938 -35938 8.2173 -10.001 0.4114 5.6157e+05 2024-05-19 09:38:41,016 INFO [main.py:798]
{rank 0/64} MD step = 296200 step time: 00:00:00.350070 Performance: 36.469 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-19 09:38:46,529 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296200 59240 71.153 -28264 7798.5 -36062 -36062 8.216 -10.004 0.41111 5.6176e+05 2024-05-19 09:39:20,395 INFO [main.py:798]
{rank 0/64} MD step = 296300 step time: 00:00:00.342341 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-19 09:39:26,215 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296300 59260 69.014 -28524 7564 -36088 -36088 8.2146 -10.006 0.41029 5.6195e+05 2024-05-19 09:40:00,480 INFO [main.py:798]
{rank 0/64} MD step = 296400 step time: 00:00:00.338904 Performance: 36.473 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-19 09:40:05,821 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296400 59280 70.387 -28359 7714.5 -36073 -36073 8.2143 -10.009 0.41054 5.6215e+05 2024-05-19 09:40:41,626 INFO [main.py:798]
{rank 0/64} MD step = 296500 step time: 00:00:00.367500 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-19 09:40:48,513 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296500 59300 69.757 -28472 7645.4 -36117 -36117 8.2124 -10.012 0.41305 5.6233e+05 2024-05-19 09:41:23,922 INFO [main.py:798]
{rank 0/64} MD step = 296600 step time: 00:00:00.374609 Performance: 36.475 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-19 09:41:30,714 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296600 59320 69.642 -28435 7632.8 -36068 -36068 8.2108 -10.013 0.41558 5.6249e+05 2024-05-19 09:42:05,491 INFO [main.py:798]
{rank 0/64} MD step = 296700 step time: 00:00:00.338649 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-19 09:42:12,333 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296700 59340 68.234 -28633 7478.5 -36111 -36111 8.2092 -10.016 0.41749 5.6266e+05 2024-05-19 09:42:46,701 INFO [main.py:798]
{rank 0/64} MD step = 296800 step time: 00:00:00.346499 Performance: 36.479 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-19 09:42:57,665 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296800 59360 71.137 -28235 7796.8 -36032 -36032 8.206 -10.02 0.41808 5.6285e+05 2024-05-19 09:43:31,546 INFO [main.py:798]
{rank 0/64} MD step = 296900 step time: 00:00:00.335233 Performance: 36.479 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-19 09:43:38,215 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296900 59380 70.37 -28336 7712.7 -36048 -36048 8.2034 -10.024 0.41762 5.6305e+05 2024-05-19 09:44:11,790 INFO [main.py:798]
{rank 0/64} MD step = 297000 step time: 00:00:00.342533 Performance: 36.481 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-19 09:44:16,033 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297000 59400 70.111 -28389 7684.3 -36073 -36073 8.2008 -10.026 0.41716 5.632e+05 2024-05-19 09:44:51,616 INFO [main.py:798]
{rank 0/64} MD step = 297100 step time: 00:00:00.347409 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-19 09:44:57,764 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297100 59420 69.25 -28401 7589.9 -35991 -35991 8.1971 -10.029 0.41833 5.6343e+05 2024-05-19 09:45:32,336 INFO [main.py:798]
{rank 0/64} MD step = 297200 step time: 00:00:00.347008 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-19 09:45:38,139 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297200 59440 70.041 -28273 7676.6 -35950 -35950 8.1957 -10.032 0.418 5.6362e+05 2024-05-19 09:46:12,258 INFO [main.py:798]
{rank 0/64} MD step = 297300 step time: 00:00:00.352582 Performance: 36.487 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-19 09:46:22,902 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297300 59460 70.623 -28326 7740.4 -36067 -36067 8.1926 -10.034 0.41728 5.6379e+05 2024-05-19 09:46:57,778 INFO [main.py:798]
{rank 0/64} MD step = 297400 step time: 00:00:00.327640 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-19 09:47:03,821 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297400 59480 70.252 -28388 7699.7 -36087 -36087 8.189 -10.038 0.41825 5.6395e+05 2024-05-19 09:47:38,919 INFO [main.py:798]
{rank 0/64} MD step = 297500 step time: 00:00:00.349850 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-19 09:47:47,557 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297500 59500 71.377 -28140 7823 -35963 -35963 8.1863 -10.041 0.41835 5.6418e+05 2024-05-19 09:48:21,378 INFO [main.py:798]
{rank 0/64} MD step = 297600 step time: 00:00:00.329181 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-19 09:48:26,040 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297600 59520 69.315 -28375 7597 -35972 -35972 8.1832 -10.044 0.41795 5.644e+05 2024-05-19 09:49:02,002 INFO [main.py:798]
{rank 0/64} MD step = 297700 step time: 00:00:00.330216 Performance: 36.492 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-19 09:49:11,568 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297700 59540 69.175 -28494 7581.7 -36076 -36076 8.18 -10.046 0.41791 5.6458e+05 2024-05-19 09:49:45,543 INFO [main.py:798]
{rank 0/64} MD step = 297800 step time: 00:00:00.346556 Performance: 36.493 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-19 09:49:57,265 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297800 59560 70.769 -28215 7756.3 -35972 -35972 8.1791 -10.049 0.41839 5.6474e+05 2024-05-19 09:50:32,840 INFO [main.py:798]
{rank 0/64} MD step = 297900 step time: 00:00:00.361346 Performance: 36.493 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-19 09:50:45,568 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297900 59580 70.421 -28353 7718.3 -36071 -36071 8.1781 -10.053 0.41936 5.6492e+05 2024-05-19 09:51:19,721 INFO [main.py:798]
{rank 0/64} MD step = 298000 step time: 00:00:00.351946 Performance: 36.493 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-19 09:51:29,637 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 298000 59600 69.875 -28445 7658.4 -36104 -36104 8.1771 -10.056 0.41942 5.651e+05 2024-05-19 09:52:03,858 INFO [main.py:798]
{rank 0/64} MD step = 298100 step time: 00:00:00.349572 Performance: 36.494 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-19 09:52:13,935 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 298100 59620 69.609 -28394 7629.2 -36023 -36023 8.1753 -10.059 0.41843 5.653e+05 2024-05-19 09:52:48,472 INFO [main.py:798]
{rank 0/64} MD step = 298200 step time: 00:00:00.350635 Performance: 36.494 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-19 09:53:00,055 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 298200 59640 69.811 -28268 7651.3 -35919 -35919 8.1725 -10.061 0.41776 5.6551e+05 2024-05-19 09:53:34,864 INFO [main.py:798]
{rank 0/64} MD step = 298300 step time: 00:00:00.361488 Performance: 36.495 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-19 09:53:42,684 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 298300 59660 69.944 -28441 7666 -36107 -36107 8.1709 -10.065 0.41952 5.6565e+05 2024-05-19 09:54:17,329 INFO [main.py:798]
{rank 0/64} MD step = 298400 step time: 00:00:00.344844 Performance: 36.496 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-19 09:54:25,632 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 298400 59680 70.233 -28233 7697.7 -35930 -35930 8.1683 -10.067 0.42081 5.6587e+05 2024-05-19 09:54:59,749 INFO [main.py:798]
{rank 0/64} MD step = 298500 step time: 00:00:00.347799 Performance: 36.497 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-19 09:55:06,351 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 298500 59700 70.971 -28016 7778.5 -35795 -35795 8.1666 -10.07 0.42138 5.6606e+05 2024-05-19 09:55:41,439 INFO [main.py:798]
{rank 0/64} MD step = 298600 step time: 00:00:00.344253 Performance: 36.499 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-19 09:55:49,095 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 298600 59720 70.293 -28190 7704.2 -35894 -35894 8.1629 -10.072 0.4221 5.6625e+05 2024-05-19 09:56:25,670 INFO [main.py:798]
{rank 0/64} MD step = 298700 step time: 00:00:00.377999 Performance: 36.499 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-19 09:56:32,737 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 298700 59740 69.646 -28328 7633.3 -35961 -35961 8.1602 -10.075 0.42211 5.6644e+05 2024-05-19 09:57:07,761 INFO [main.py:798]
{rank 0/64} MD step = 298800 step time: 00:00:00.347047 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-19 09:57:14,731 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 298800 59760 71.101 -28103 7792.7 -35896 -35896 8.1599 -10.078 0.42402 5.6666e+05 2024-05-19 09:57:49,765 INFO [main.py:798]
{rank 0/64} MD step = 298900 step time: 00:00:00.332095 Performance: 36.502 ns/day 0.657 hours/ns 2.112 steps/s 2024-05-19 09:57:57,525 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 298900 59780 69.714 -28343 7640.7 -35984 -35984 8.158 -10.082 0.42398 5.6678e+05 2024-05-19 09:58:32,108 INFO [main.py:798]
{rank 0/64} MD step = 299000 step time: 00:00:00.326420 Performance: 36.504 ns/day 0.657 hours/ns 2.112 steps/s 2024-05-19 09:58:39,742 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299000 59800 69.716 -28438 7640.9 -36079 -36079 8.1548 -10.084 0.42444 5.6696e+05 2024-05-19 09:59:13,726 INFO [main.py:798]
{rank 0/64} MD step = 299100 step time: 00:00:00.328582 Performance: 36.505 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-19 09:59:20,608 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299100 59820 70.793 -28233 7759 -35992 -35992 8.1512 -10.088 0.42517 5.6716e+05 2024-05-19 09:59:55,140 INFO [main.py:798]
{rank 0/64} MD step = 299200 step time: 00:00:00.330736 Performance: 36.507 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-19 10:00:00,820 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299200 59840 68.981 -28407 7560.4 -35967 -35967 8.15 -10.091 0.42624 5.6737e+05 2024-05-19 10:00:35,445 INFO [main.py:798]
{rank 0/64} MD step = 299300 step time: 00:00:00.327698 Performance: 36.508 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-19 10:00:41,685 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299300 59860 70.092 -28187 7682.1 -35869 -35869 8.1484 -10.094 0.42644 5.6755e+05 2024-05-19 10:01:17,847 INFO [main.py:798]
{rank 0/64} MD step = 299400 step time: 00:00:00.368730 Performance: 36.510 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-19 10:01:24,776 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299400 59880 69.926 -28234 7664 -35898 -35898 8.1481 -10.096 0.42591 5.6773e+05 2024-05-19 10:01:59,806 INFO [main.py:798]
{rank 0/64} MD step = 299500 step time: 00:00:00.349660 Performance: 36.511 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-19 10:02:06,948 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299500 59900 69.988 -28328 7670.8 -35999 -35999 8.1458 -10.1 0.42612 5.6792e+05 2024-05-19 10:02:40,859 INFO [main.py:798]
{rank 0/64} MD step = 299600 step time: 00:00:00.332727 Performance: 36.513 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-19 10:02:46,230 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299600 59920 69.473 -28300 7614.3 -35915 -35915 8.1431 -10.101 0.42654 5.6815e+05 2024-05-19 10:03:21,366 INFO [main.py:798]
{rank 0/64} MD step = 299700 step time: 00:00:00.340340 Performance: 36.514 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-19 10:03:27,280 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299700 59940 69.435 -28409 7610.2 -36019 -36019 8.1406 -10.103 0.42608 5.6831e+05 2024-05-19 10:04:01,575 INFO [main.py:798]
{rank 0/64} MD step = 299800 step time: 00:00:00.342585 Performance: 36.516 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-19 10:04:06,724 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299800 59960 69.622 -28301 7630.6 -35932 -35932 8.139 -10.106 0.42578 5.6851e+05 2024-05-19 10:04:40,893 INFO [main.py:798]
{rank 0/64} MD step = 299900 step time: 00:00:00.325939 Performance: 36.518 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-19 10:04:46,145 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299900 59980 70.442 -28354 7720.5 -36074 -36074 8.1378 -10.11 0.42608 5.6871e+05 2024-05-19 10:05:20,671 INFO [main.py:798]
{rank 0/64} MD step = 300000 step time: 00:00:00.363678 Performance: 36.520 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-19 10:05:25,954 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300000 60000 70.234 -28273 7697.7 -35970 -35970 8.1368 -10.109 0.4273 5.6888e+05 2024-05-19 10:06:00,302 INFO [main.py:798]
{rank 0/64} MD step = 300100 step time: 00:00:00.338149 Performance: 36.522 ns/day 0.657 hours/ns 2.114 steps/s 2024-05-19 10:06:05,428 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300100 60020 70.104 -28397 7683.4 -36081 -36081 8.1344 -10.112 0.42846 5.6905e+05 2024-05-19 10:06:39,753 INFO [main.py:798]
{rank 0/64} MD step = 300200 step time: 00:00:00.351251 Performance: 36.524 ns/day 0.657 hours/ns 2.114 steps/s 2024-05-19 10:06:45,436 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300200 60040 70.072 -28404 7680 -36084 -36084 8.1301 -10.114 0.43062 5.6925e+05 2024-05-19 10:07:19,426 INFO [main.py:798]
{rank 0/64} MD step = 300300 step time: 00:00:00.354861 Performance: 36.526 ns/day 0.657 hours/ns 2.114 steps/s 2024-05-19 10:07:25,520 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300300 60060 71.225 -28316 7806.3 -36123 -36123 8.127 -10.117 0.43195 5.6943e+05 2024-05-19 10:08:01,472 INFO [main.py:798]
{rank 0/64} MD step = 300400 step time: 00:00:00.372980 Performance: 36.527 ns/day 0.657 hours/ns 2.114 steps/s 2024-05-19 10:08:08,703 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300400 60080 71.068 -28224 7789.1 -36013 -36013 8.1253 -10.119 0.43198 5.6961e+05 2024-05-19 10:08:43,085 INFO [main.py:798]
{rank 0/64} MD step = 300500 step time: 00:00:00.343711 Performance: 36.529 ns/day 0.657 hours/ns 2.114 steps/s 2024-05-19 10:08:49,245 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300500 60100 70.133 -28294 7686.6 -35981 -35981 8.1246 -10.123 0.43334 5.6978e+05 2024-05-19 10:09:24,768 INFO [main.py:798]
{rank 0/64} MD step = 300600 step time: 00:00:00.373581 Performance: 36.530 ns/day 0.657 hours/ns 2.114 steps/s 2024-05-19 10:09:30,449 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300600 60120 70.324 -28238 7707.5 -35946 -35946 8.1238 -10.125 0.43361 5.7e+05 2024-05-19 10:10:06,543 INFO [main.py:798]
{rank 0/64} MD step = 300700 step time: 00:00:00.337578 Performance: 36.532 ns/day 0.657 hours/ns 2.114 steps/s 2024-05-19 10:10:13,895 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300700 60140 70.112 -28259 7684.4 -35944 -35944 8.1231 -10.127 0.43328 5.7017e+05 2024-05-19 10:10:48,115 INFO [main.py:798]
{rank 0/64} MD step = 300800 step time: 00:00:00.349185 Performance: 36.533 ns/day 0.657 hours/ns 2.114 steps/s 2024-05-19 10:10:53,627 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300800 60160 70.256 -28340 7700.1 -36040 -36040 8.1201 -10.13 0.43279 5.7039e+05 2024-05-19 10:11:28,433 INFO [main.py:798]
{rank 0/64} MD step = 300900 step time: 00:00:00.346881 Performance: 36.535 ns/day 0.657 hours/ns 2.114 steps/s 2024-05-19 10:11:34,909 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300900 60180 69.586 -28562 7626.7 -36189 -36189 8.1167 -10.132 0.43196 5.7056e+05 2024-05-19 10:12:08,976 INFO [main.py:798]
{rank 0/64} MD step = 301000 step time: 00:00:00.348836 Performance: 36.537 ns/day 0.657 hours/ns 2.114 steps/s 2024-05-19 10:12:14,465 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301000 60200 69.16 -28453 7580 -36033 -36033 8.115 -10.134 0.4334 5.7075e+05 2024-05-19 10:12:49,458 INFO [main.py:798]
{rank 0/64} MD step = 301100 step time: 00:00:00.333952 Performance: 36.539 ns/day 0.657 hours/ns 2.115 steps/s 2024-05-19 10:12:54,625 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301100 60220 70.953 -28470 7776.6 -36246 -36246 8.1104 -10.136 0.43428 5.709e+05 2024-05-19 10:13:29,624 INFO [main.py:798]
{rank 0/64} MD step = 301200 step time: 00:00:00.369656 Performance: 36.540 ns/day 0.657 hours/ns 2.115 steps/s 2024-05-19 10:13:36,016 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301200 60240 69.828 -28361 7653.3 -36014 -36014 8.1083 -10.138 0.43553 5.7114e+05 2024-05-19 10:14:11,769 INFO [main.py:798]
{rank 0/64} MD step = 301300 step time: 00:00:00.379639 Performance: 36.542 ns/day 0.657 hours/ns 2.115 steps/s 2024-05-19 10:14:17,543 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301300 60260 69.745 -28486 7644.1 -36130 -36130 8.1057 -10.139 0.43656 5.7129e+05 2024-05-19 10:14:52,050 INFO [main.py:798]
{rank 0/64} MD step = 301400 step time: 00:00:00.351965 Performance: 36.544 ns/day 0.657 hours/ns 2.115 steps/s 2024-05-19 10:14:58,307 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301400 60280 70.136 -28491 7687 -36178 -36178 8.1054 -10.141 0.43839 5.7146e+05 2024-05-19 10:15:32,741 INFO [main.py:798]
{rank 0/64} MD step = 301500 step time: 00:00:00.341279 Performance: 36.545 ns/day 0.657 hours/ns 2.115 steps/s 2024-05-19 10:15:36,417 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301500 60300 69.798 -28328 7649.9 -35977 -35977 8.1036 -10.143 0.43942 5.7169e+05 2024-05-19 10:16:11,517 INFO [main.py:798]
{rank 0/64} MD step = 301600 step time: 00:00:00.349078 Performance: 36.547 ns/day 0.657 hours/ns 2.115 steps/s 2024-05-19 10:16:16,611 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301600 60320 69.971 -28503 7668.9 -36172 -36172 8.0997 -10.145 0.44057 5.7186e+05 2024-05-19 10:16:51,258 INFO [main.py:798]
{rank 0/64} MD step = 301700 step time: 00:00:00.355571 Performance: 36.549 ns/day 0.657 hours/ns 2.115 steps/s 2024-05-19 10:16:56,840 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301700 60340 72.424 -28188 7937.7 -36125 -36125 8.0973 -10.149 0.44073 5.7203e+05 2024-05-19 10:17:31,007 INFO [main.py:798]
{rank 0/64} MD step = 301800 step time: 00:00:00.356664 Performance: 36.551 ns/day 0.657 hours/ns 2.115 steps/s 2024-05-19 10:17:36,547 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301800 60360 71.092 -28226 7791.7 -36018 -36018 8.0956 -10.151 0.44086 5.7224e+05 2024-05-19 10:18:10,783 INFO [main.py:798]
{rank 0/64} MD step = 301900 step time: 00:00:00.346814 Performance: 36.553 ns/day 0.657 hours/ns 2.115 steps/s 2024-05-19 10:18:16,189 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301900 60380 69.402 -28385 7606.5 -35991 -35991 8.0931 -10.154 0.4412 5.7243e+05 2024-05-19 10:18:52,490 INFO [main.py:798]
{rank 0/64} MD step = 302000 step time: 00:00:00.371074 Performance: 36.555 ns/day 0.657 hours/ns 2.115 steps/s 2024-05-19 10:18:57,979 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 302000 60400 69.636 -28536 7632.1 -36168 -36168 8.093 -10.156 0.44145 5.726e+05 2024-05-19 10:19:31,086 INFO [main.py:798]
{rank 0/64} MD step = 302100 step time: 00:00:00.351164 Performance: 36.557 ns/day 0.657 hours/ns 2.116 steps/s 2024-05-19 10:19:35,277 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 302100 60420 70.526 -28447 7729.7 -36176 -36176 8.0905 -10.16 0.44284 5.728e+05 2024-05-19 10:20:10,484 INFO [main.py:798]
{rank 0/64} MD step = 302200 step time: 00:00:00.328617 Performance: 36.559 ns/day 0.656 hours/ns 2.116 steps/s 2024-05-19 10:20:15,373 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 302200 60440 69.835 -28427 7654 -36081 -36081 8.0879 -10.161 0.44387 5.7302e+05 2024-05-19 10:20:50,237 INFO [main.py:798]
{rank 0/64} MD step = 302300 step time: 00:00:00.328759 Performance: 36.561 ns/day 0.656 hours/ns 2.116 steps/s 2024-05-19 10:20:56,562 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 302300 60460 70.22 -28490 7696.2 -36186 -36186 8.0861 -10.164 0.44391 5.7319e+05 2024-05-19 10:21:32,292 INFO [main.py:798]
{rank 0/64} MD step = 302400 step time: 00:00:00.326673 Performance: 36.562 ns/day 0.656 hours/ns 2.116 steps/s 2024-05-19 10:21:37,413 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 302400 60480 69.53 -28512 7620.6 -36133 -36133 8.0825 -10.168 0.44448 5.7337e+05 2024-05-19 10:22:12,020 INFO [main.py:798]
{rank 0/64} MD step = 302500 step time: 00:00:00.327620 Performance: 36.564 ns/day 0.656 hours/ns 2.116 steps/s 2024-05-19 10:22:17,698 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 302500 60500 69.084 -28737 7571.7 -36308 -36308 8.0787 -10.171 0.44262 5.7357e+05 2024-05-19 10:22:52,580 INFO [main.py:798]
{rank 0/64} MD step = 302600 step time: 00:00:00.325916 Performance: 36.566 ns/day 0.656 hours/ns 2.116 steps/s 2024-05-19 10:22:57,817 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 302600 60520 69.796 -28404 7649.8 -36054 -36054 8.0745 -10.172 0.44273 5.7382e+05 2024-05-19 10:23:32,425 INFO [main.py:798]
{rank 0/64} MD step = 302700 step time: 00:00:00.331246 Performance: 36.568 ns/day 0.656 hours/ns 2.116 steps/s 2024-05-19 10:23:37,681 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 302700 60540 69.3 -28662 7595.4 -36258 -36258 8.0725 -10.175 0.44262 5.74e+05 2024-05-19 10:24:12,280 INFO [main.py:798]
{rank 0/64} MD step = 302800 step time: 00:00:00.331269 Performance: 36.570 ns/day 0.656 hours/ns 2.116 steps/s 2024-05-19 10:24:17,179 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 302800 60560 69.487 -28703 7615.9 -36319 -36319 8.0698 -10.178 0.44239 5.742e+05 2024-05-19 10:24:51,805 INFO [main.py:798]
{rank 0/64} MD step = 302900 step time: 00:00:00.335080 Performance: 36.571 ns/day 0.656 hours/ns 2.116 steps/s 2024-05-19 10:24:56,962 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 302900 60580 70.698 -28452 7748.6 -36201 -36201 8.0691 -10.181 0.44359 5.744e+05 2024-05-19 10:25:31,343 INFO [main.py:798]
{rank 0/64} MD step = 303000 step time: 00:00:00.328872 Performance: 36.573 ns/day 0.656 hours/ns 2.117 steps/s 2024-05-19 10:25:42,350 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 303000 60600 69.518 -28584 7619.3 -36203 -36203 8.0714 -10.184 0.44549 5.7457e+05 2024-05-19 10:26:16,574 INFO [main.py:798]
{rank 0/64} MD step = 303100 step time: 00:00:00.352775 Performance: 36.574 ns/day 0.656 hours/ns 2.117 steps/s 2024-05-19 10:26:22,445 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 303100 60620 71.287 -28558 7813.1 -36371 -36371 8.0717 -10.186 0.4469 5.747e+05 2024-05-19 10:26:56,911 INFO [main.py:798]
{rank 0/64} MD step = 303200 step time: 00:00:00.349998 Performance: 36.576 ns/day 0.656 hours/ns 2.117 steps/s 2024-05-19 10:27:04,133 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 303200 60640 70.846 -28469 7764.9 -36234 -36234 8.0706 -10.189 0.449 5.7493e+05 2024-05-19 10:27:38,602 INFO [main.py:798]
{rank 0/64} MD step = 303300 step time: 00:00:00.344689 Performance: 36.577 ns/day 0.656 hours/ns 2.117 steps/s 2024-05-19 10:27:44,378 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 303300 60660 68.386 -28735 7495.1 -36230 -36230 8.0709 -10.191 0.44936 5.7509e+05 2024-05-19 10:28:18,345 INFO [main.py:798]
{rank 0/64} MD step = 303400 step time: 00:00:00.355577 Performance: 36.579 ns/day 0.656 hours/ns 2.117 steps/s 2024-05-19 10:28:23,724 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 303400 60680 70.584 -28345 7736.1 -36081 -36081 8.0685 -10.193 0.44947 5.753e+05 2024-05-19 10:28:57,845 INFO [main.py:798]
{rank 0/64} MD step = 303500 step time: 00:00:00.345813 Performance: 36.581 ns/day 0.656 hours/ns 2.117 steps/s 2024-05-19 10:29:02,460 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 303500 60700 70.418 -28495 7717.9 -36213 -36213 8.0663 -10.196 0.45092 5.7547e+05 2024-05-19 10:29:36,652 INFO [main.py:798]
{rank 0/64} MD step = 303600 step time: 00:00:00.343646 Performance: 36.583 ns/day 0.656 hours/ns 2.117 steps/s 2024-05-19 10:29:41,637 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 303600 60720 70.676 -28380 7746.1 -36126 -36126 8.0627 -10.197 0.4509 5.7567e+05 2024-05-19 10:30:15,725 INFO [main.py:798]
{rank 0/64} MD step = 303700 step time: 00:00:00.333293 Performance: 36.585 ns/day 0.656 hours/ns 2.117 steps/s 2024-05-19 10:30:25,497 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 303700 60740 70.957 -28426 7777 -36203 -36203 8.0622 -10.2 0.45032 5.7585e+05 2024-05-19 10:30:59,642 INFO [main.py:798]
{rank 0/64} MD step = 303800 step time: 00:00:00.351538 Performance: 36.586 ns/day 0.656 hours/ns 2.117 steps/s 2024-05-19 10:31:06,272 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 303800 60760 69.817 -28408 7652.1 -36060 -36060 8.0619 -10.202 0.4494 5.7603e+05 2024-05-19 10:31:40,619 INFO [main.py:798]
{rank 0/64} MD step = 303900 step time: 00:00:00.342884 Performance: 36.588 ns/day 0.656 hours/ns 2.117 steps/s 2024-05-19 10:31:49,502 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 303900 60780 70.129 -28518 7686.3 -36204 -36204 8.0593 -10.205 0.44958 5.7619e+05 2024-05-19 10:32:23,920 INFO [main.py:798]
{rank 0/64} MD step = 304000 step time: 00:00:00.371356 Performance: 36.589 ns/day 0.656 hours/ns 2.117 steps/s 2024-05-19 10:32:31,853 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304000 60800 70.491 -28431 7725.9 -36157 -36157 8.0562 -10.207 0.44918 5.7639e+05 2024-05-19 10:33:06,403 INFO [main.py:798]
{rank 0/64} MD step = 304100 step time: 00:00:00.356429 Performance: 36.590 ns/day 0.656 hours/ns 2.117 steps/s 2024-05-19 10:33:12,517 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304100 60820 70.15 -28408 7688.5 -36096 -36096 8.0563 -10.209 0.44983 5.7659e+05 2024-05-19 10:33:47,903 INFO [main.py:798]
{rank 0/64} MD step = 304200 step time: 00:00:00.359356 Performance: 36.591 ns/day 0.656 hours/ns 2.118 steps/s 2024-05-19 10:33:59,798 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304200 60840 69.962 -28583 7668 -36251 -36251 8.0569 -10.21 0.45151 5.7678e+05 2024-05-19 10:34:33,971 INFO [main.py:798]
{rank 0/64} MD step = 304300 step time: 00:00:00.349647 Performance: 36.592 ns/day 0.656 hours/ns 2.118 steps/s 2024-05-19 10:34:39,948 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304300 60860 69.045 -28713 7567.4 -36281 -36281 8.0557 -10.214 0.45273 5.7697e+05 2024-05-19 10:35:14,713 INFO [main.py:798]
{rank 0/64} MD step = 304400 step time: 00:00:00.364339 Performance: 36.593 ns/day 0.656 hours/ns 2.118 steps/s 2024-05-19 10:35:20,409 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304400 60880 71.152 -28236 7798.3 -36034 -36034 8.0549 -10.216 0.45225 5.772e+05 2024-05-19 10:35:54,222 INFO [main.py:798]
{rank 0/64} MD step = 304500 step time: 00:00:00.338588 Performance: 36.595 ns/day 0.656 hours/ns 2.118 steps/s 2024-05-19 10:35:59,731 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304500 60900 69.79 -28580 7649.1 -36229 -36229 8.0551 -10.217 0.45107 5.7737e+05 2024-05-19 10:36:33,958 INFO [main.py:798]
{rank 0/64} MD step = 304600 step time: 00:00:00.335290 Performance: 36.597 ns/day 0.656 hours/ns 2.118 steps/s 2024-05-19 10:36:39,752 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304600 60920 68.964 -28641 7558.6 -36200 -36200 8.0536 -10.22 0.4505 5.7757e+05 2024-05-19 10:37:13,987 INFO [main.py:798]
{rank 0/64} MD step = 304700 step time: 00:00:00.340278 Performance: 36.599 ns/day 0.656 hours/ns 2.118 steps/s 2024-05-19 10:37:20,164 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304700 60940 70.52 -28344 7729.1 -36073 -36073 8.0547 -10.223 0.45141 5.7776e+05 2024-05-19 10:37:54,426 INFO [main.py:798]
{rank 0/64} MD step = 304800 step time: 00:00:00.352938 Performance: 36.601 ns/day 0.656 hours/ns 2.118 steps/s 2024-05-19 10:38:00,908 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304800 60960 68.843 -28461 7545.3 -36006 -36006 8.0539 -10.225 0.45292 5.7798e+05 2024-05-19 10:38:34,258 INFO [main.py:798]
{rank 0/64} MD step = 304900 step time: 00:00:00.329337 Performance: 36.603 ns/day 0.656 hours/ns 2.118 steps/s 2024-05-19 10:38:40,712 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304900 60980 71.765 -28230 7865.5 -36095 -36095 8.0523 -10.228 0.45317 5.7817e+05 2024-05-19 10:39:15,609 INFO [main.py:798]
{rank 0/64} MD step = 305000 step time: 00:00:00.358484 Performance: 36.604 ns/day 0.656 hours/ns 2.118 steps/s 2024-05-19 10:39:19,493 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 305000 61000 68.619 -28622 7520.7 -36143 -36143 8.0506 -10.23 0.45262 5.783e+05 2024-05-19 10:39:55,147 INFO [main.py:798]
{rank 0/64} MD step = 305100 step time: 00:00:00.378413 Performance: 36.606 ns/day 0.656 hours/ns 2.118 steps/s 2024-05-19 10:39:59,011 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 305100 61020 69.868 -28280 7657.6 -35937 -35937 8.0473 -10.234 0.45195 5.7851e+05 2024-05-19 10:40:35,124 INFO [main.py:798]
{rank 0/64} MD step = 305200 step time: 00:00:00.357837 Performance: 36.608 ns/day 0.656 hours/ns 2.119 steps/s 2024-05-19 10:40:40,640 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 305200 61040 69.824 -28388 7652.8 -36041 -36041 8.0449 -10.237 0.45159 5.7869e+05 2024-05-19 10:41:14,656 INFO [main.py:798]
{rank 0/64} MD step = 305300 step time: 00:00:00.349482 Performance: 36.610 ns/day 0.656 hours/ns 2.119 steps/s 2024-05-19 10:41:19,851 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 305300 61060 69.509 -28466 7618.3 -36084 -36084 8.041 -10.24 0.45176 5.7883e+05 2024-05-19 10:41:54,038 INFO [main.py:798]
{rank 0/64} MD step = 305400 step time: 00:00:00.353944 Performance: 36.612 ns/day 0.656 hours/ns 2.119 steps/s 2024-05-19 10:41:59,708 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 305400 61080 70.454 -28221 7721.9 -35943 -35943 8.0407 -10.243 0.45054 5.7907e+05 2024-05-19 10:42:33,923 INFO [main.py:798]
{rank 0/64} MD step = 305500 step time: 00:00:00.343649 Performance: 36.614 ns/day 0.655 hours/ns 2.119 steps/s 2024-05-19 10:42:40,866 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 305500 61100 70.436 -28318 7719.9 -36038 -36038 8.0397 -10.245 0.45105 5.7924e+05 2024-05-19 10:43:15,315 INFO [main.py:798]
{rank 0/64} MD step = 305600 step time: 00:00:00.358798 Performance: 36.615 ns/day 0.655 hours/ns 2.119 steps/s 2024-05-19 10:43:20,956 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 305600 61120 69.661 -28419 7635 -36054 -36054 8.0406 -10.247 0.45225 5.7939e+05 2024-05-19 10:43:55,798 INFO [main.py:798]
{rank 0/64} MD step = 305700 step time: 00:00:00.374410 Performance: 36.617 ns/day 0.655 hours/ns 2.119 steps/s 2024-05-19 10:44:01,277 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 305700 61140 70.552 -28235 7732.6 -35968 -35968 8.0394 -10.249 0.4528 5.7965e+05 2024-05-19 10:44:35,767 INFO [main.py:798]
{rank 0/64} MD step = 305800 step time: 00:00:00.350421 Performance: 36.619 ns/day 0.655 hours/ns 2.119 steps/s 2024-05-19 10:44:41,499 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 305800 61160 70.28 -28359 7702.7 -36062 -36062 8.0385 -10.252 0.45427 5.7979e+05 2024-05-19 10:45:15,364 INFO [main.py:798]
{rank 0/64} MD step = 305900 step time: 00:00:00.352415 Performance: 36.621 ns/day 0.655 hours/ns 2.119 steps/s 2024-05-19 10:45:21,699 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 305900 61180 68.619 -28700 7520.8 -36221 -36221 8.0375 -10.253 0.45443 5.7997e+05 2024-05-19 10:45:55,620 INFO [main.py:798]
{rank 0/64} MD step = 306000 step time: 00:00:00.352880 Performance: 36.622 ns/day 0.655 hours/ns 2.119 steps/s 2024-05-19 10:46:01,724 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 306000 61200 71.26 -28162 7810.2 -35972 -35972 8.0359 -10.255 0.45575 5.8017e+05 2024-05-19 10:46:35,609 INFO [main.py:798]
{rank 0/64} MD step = 306100 step time: 00:00:00.351551 Performance: 36.624 ns/day 0.655 hours/ns 2.119 steps/s 2024-05-19 10:46:41,743 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 306100 61220 70.4 -28323 7716 -36039 -36039 8.0332 -10.258 0.45532 5.8037e+05 2024-05-19 10:47:15,901 INFO [main.py:798]
{rank 0/64} MD step = 306200 step time: 00:00:00.355975 Performance: 36.626 ns/day 0.655 hours/ns 2.120 steps/s 2024-05-19 10:47:23,280 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 306200 61240 70.561 -28396 7733.6 -36129 -36129 8.0323 -10.261 0.45505 5.8054e+05 2024-05-19 10:47:57,476 INFO [main.py:798]
{rank 0/64} MD step = 306300 step time: 00:00:00.355428 Performance: 36.627 ns/day 0.655 hours/ns 2.120 steps/s 2024-05-19 10:48:05,000 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 306300 61260 71.555 -28265 7842.5 -36108 -36108 8.0319 -10.264 0.45584 5.8077e+05 2024-05-19 10:48:39,472 INFO [main.py:798]
{rank 0/64} MD step = 306400 step time: 00:00:00.356020 Performance: 36.629 ns/day 0.655 hours/ns 2.120 steps/s 2024-05-19 10:48:47,774 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 306400 61280 70.083 -28593 7681.2 -36274 -36274 8.0301 -10.266 0.45725 5.8097e+05 2024-05-19 10:49:22,126 INFO [main.py:798]
{rank 0/64} MD step = 306500 step time: 00:00:00.340329 Performance: 36.630 ns/day 0.655 hours/ns 2.120 steps/s 2024-05-19 10:49:29,421 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 306500 61300 68.973 -28563 7559.6 -36123 -36123 8.0265 -10.27 0.45747 5.8118e+05 2024-05-19 10:50:03,943 INFO [main.py:798]
{rank 0/64} MD step = 306600 step time: 00:00:00.357253 Performance: 36.631 ns/day 0.655 hours/ns 2.120 steps/s 2024-05-19 10:50:09,365 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 306600 61320 71.129 -28298 7795.8 -36094 -36094 8.0241 -10.272 0.45662 5.8136e+05 2024-05-19 10:50:43,102 INFO [main.py:798]
{rank 0/64} MD step = 306700 step time: 00:00:00.341044 Performance: 36.633 ns/day 0.655 hours/ns 2.120 steps/s 2024-05-19 10:50:49,833 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 306700 61340 69.861 -28561 7656.9 -36218 -36218 8.0223 -10.274 0.45715 5.8152e+05 2024-05-19 10:51:25,724 INFO [main.py:798]
{rank 0/64} MD step = 306800 step time: 00:00:00.369135 Performance: 36.634 ns/day 0.655 hours/ns 2.120 steps/s 2024-05-19 10:51:31,090 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 306800 61360 70.055 -28468 7678.1 -36147 -36147 8.0199 -10.276 0.45841 5.8172e+05 2024-05-19 10:52:06,020 INFO [main.py:798]
{rank 0/64} MD step = 306900 step time: 00:00:00.359724 Performance: 36.636 ns/day 0.655 hours/ns 2.120 steps/s 2024-05-19 10:52:11,784 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 306900 61380 69.028 -28548 7565.6 -36114 -36114 8.0176 -10.278 0.45861 5.8191e+05 2024-05-19 10:52:45,578 INFO [main.py:798]
{rank 0/64} MD step = 307000 step time: 00:00:00.349309 Performance: 36.638 ns/day 0.655 hours/ns 2.120 steps/s 2024-05-19 10:52:51,608 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 307000 61400 69.212 -28314 7585.7 -35900 -35900 8.0164 -10.28 0.45942 5.8211e+05 2024-05-19 10:53:24,461 INFO [main.py:798]
{rank 0/64} MD step = 307100 step time: 00:00:00.329775 Performance: 36.640 ns/day 0.655 hours/ns 2.120 steps/s 2024-05-19 10:53:29,761 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 307100 61420 70.173 -28456 7691.1 -36147 -36147 8.0126 -10.282 0.46034 5.8231e+05 2024-05-19 10:54:04,032 INFO [main.py:798]
{rank 0/64} MD step = 307200 step time: 00:00:00.331176 Performance: 36.642 ns/day 0.655 hours/ns 2.120 steps/s 2024-05-19 10:54:10,361 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 307200 61440 69.503 -28380 7617.6 -35998 -35998 8.0087 -10.284 0.46197 5.8252e+05 2024-05-19 10:54:44,308 INFO [main.py:798]
{rank 0/64} MD step = 307300 step time: 00:00:00.348014 Performance: 36.644 ns/day 0.655 hours/ns 2.121 steps/s 2024-05-19 10:54:49,310 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 307300 61460 70.215 -28404 7695.7 -36099 -36099 8.0054 -10.286 0.46222 5.8267e+05 2024-05-19 10:55:23,128 INFO [main.py:798]
{rank 0/64} MD step = 307400 step time: 00:00:00.336136 Performance: 36.646 ns/day 0.655 hours/ns 2.121 steps/s 2024-05-19 10:55:30,026 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 307400 61480 69.293 -28421 7594.6 -36016 -36016 8.003 -10.287 0.46305 5.8289e+05 2024-05-19 10:56:04,688 INFO [main.py:798]
{rank 0/64} MD step = 307500 step time: 00:00:00.347134 Performance: 36.647 ns/day 0.655 hours/ns 2.121 steps/s 2024-05-19 10:56:10,411 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 307500 61500 70.659 -28333 7744.3 -36077 -36077 8.0015 -10.29 0.46371 5.8308e+05 2024-05-19 10:56:44,817 INFO [main.py:798]
{rank 0/64} MD step = 307600 step time: 00:00:00.356695 Performance: 36.649 ns/day 0.655 hours/ns 2.121 steps/s 2024-05-19 10:56:51,297 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 307600 61520 69.768 -28493 7646.7 -36140 -36140 7.998 -10.292 0.46483 5.8326e+05 2024-05-19 10:57:24,920 INFO [main.py:798]
{rank 0/64} MD step = 307700 step time: 00:00:00.360270 Performance: 36.651 ns/day 0.655 hours/ns 2.121 steps/s 2024-05-19 10:57:31,066 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 307700 61540 69.601 -28364 7628.3 -35993 -35993 7.9939 -10.294 0.4657 5.8347e+05 2024-05-19 10:58:06,911 INFO [main.py:798]
{rank 0/64} MD step = 307800 step time: 00:00:00.375689 Performance: 36.652 ns/day 0.655 hours/ns 2.121 steps/s 2024-05-19 10:58:12,212 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 307800 61560 69.486 -28513 7615.7 -36128 -36128 7.9907 -10.295 0.46656 5.8364e+05 2024-05-19 10:58:45,807 INFO [main.py:798]
{rank 0/64} MD step = 307900 step time: 00:00:00.350593 Performance: 36.654 ns/day 0.655 hours/ns 2.121 steps/s 2024-05-19 10:58:53,201 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 307900 61580 70.124 -28421 7685.7 -36106 -36106 7.9867 -10.297 0.46774 5.8384e+05 2024-05-19 10:59:27,659 INFO [main.py:798]
{rank 0/64} MD step = 308000 step time: 00:00:00.355494 Performance: 36.656 ns/day 0.655 hours/ns 2.121 steps/s 2024-05-19 10:59:33,426 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 308000 61600 69.561 -28489 7624 -36113 -36113 7.9833 -10.299 0.46916 5.84e+05 2024-05-19 11:00:07,365 INFO [main.py:798]
{rank 0/64} MD step = 308100 step time: 00:00:00.352456 Performance: 36.657 ns/day 0.655 hours/ns 2.121 steps/s 2024-05-19 11:00:15,232 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 308100 61620 70.13 -28523 7686.3 -36210 -36210 7.9805 -10.3 0.46905 5.8419e+05 2024-05-19 11:00:49,790 INFO [main.py:798]
{rank 0/64} MD step = 308200 step time: 00:00:00.349326 Performance: 36.659 ns/day 0.655 hours/ns 2.121 steps/s 2024-05-19 11:00:56,546 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 308200 61640 71.065 -28314 7788.9 -36103 -36103 7.9787 -10.304 0.46955 5.8442e+05 2024-05-19 11:01:30,129 INFO [main.py:798]
{rank 0/64} MD step = 308300 step time: 00:00:00.337866 Performance: 36.660 ns/day 0.655 hours/ns 2.122 steps/s 2024-05-19 11:01:36,276 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 308300 61660 70.82 -28182 7761.9 -35944 -35944 7.9762 -10.305 0.46871 5.8462e+05 2024-05-19 11:02:10,535 INFO [main.py:798]
{rank 0/64} MD step = 308400 step time: 00:00:00.345931 Performance: 36.662 ns/day 0.655 hours/ns 2.122 steps/s 2024-05-19 11:02:15,995 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 308400 61680 69.619 -28572 7630.4 -36202 -36202 7.9728 -10.306 0.46789 5.848e+05 2024-05-19 11:02:51,521 INFO [main.py:798]
{rank 0/64} MD step = 308500 step time: 00:00:00.364541 Performance: 36.664 ns/day 0.655 hours/ns 2.122 steps/s 2024-05-19 11:02:57,087 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 308500 61700 69.693 -28502 7638.4 -36140 -36140 7.97 -10.307 0.46747 5.8504e+05 2024-05-19 11:03:31,646 INFO [main.py:798]
{rank 0/64} MD step = 308600 step time: 00:00:00.356102 Performance: 36.665 ns/day 0.655 hours/ns 2.122 steps/s 2024-05-19 11:03:37,802 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 308600 61720 69.041 -28548 7567 -36115 -36115 7.9651 -10.309 0.46781 5.8523e+05 2024-05-19 11:04:13,220 INFO [main.py:798]
{rank 0/64} MD step = 308700 step time: 00:00:00.350386 Performance: 36.667 ns/day 0.655 hours/ns 2.122 steps/s 2024-05-19 11:04:19,680 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 308700 61740 68.532 -28552 7511.2 -36063 -36063 7.9624 -10.311 0.46814 5.8543e+05 2024-05-19 11:04:54,316 INFO [main.py:798]
{rank 0/64} MD step = 308800 step time: 00:00:00.378711 Performance: 36.668 ns/day 0.655 hours/ns 2.122 steps/s 2024-05-19 11:04:59,349 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 308800 61760 69.767 -28258 7646.5 -35904 -35904 7.9597 -10.313 0.46971 5.8563e+05 2024-05-19 11:05:34,445 INFO [main.py:798]
{rank 0/64} MD step = 308900 step time: 00:00:00.341122 Performance: 36.670 ns/day 0.654 hours/ns 2.122 steps/s 2024-05-19 11:05:41,058 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 308900 61780 70.776 -28422 7757.2 -36179 -36179 7.9561 -10.314 0.46877 5.8577e+05 2024-05-19 11:06:15,238 INFO [main.py:798]
{rank 0/64} MD step = 309000 step time: 00:00:00.349006 Performance: 36.672 ns/day 0.654 hours/ns 2.122 steps/s 2024-05-19 11:06:20,849 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 309000 61800 70.234 -28423 7697.7 -36121 -36121 7.954 -10.316 0.46966 5.8596e+05 2024-05-19 11:06:54,649 INFO [main.py:798]
{rank 0/64} MD step = 309100 step time: 00:00:00.356909 Performance: 36.674 ns/day 0.654 hours/ns 2.122 steps/s 2024-05-19 11:07:01,033 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 309100 61820 69.666 -28562 7635.5 -36198 -36198 7.9511 -10.317 0.47208 5.8616e+05 2024-05-19 11:07:35,645 INFO [main.py:798]
{rank 0/64} MD step = 309200 step time: 00:00:00.351914 Performance: 36.675 ns/day 0.654 hours/ns 2.122 steps/s 2024-05-19 11:07:42,159 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 309200 61840 70.113 -28569 7684.4 -36253 -36253 7.9504 -10.32 0.47343 5.8634e+05 2024-05-19 11:08:17,084 INFO [main.py:798]
{rank 0/64} MD step = 309300 step time: 00:00:00.338531 Performance: 36.677 ns/day 0.654 hours/ns 2.122 steps/s 2024-05-19 11:08:24,578 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 309300 61860 69.187 -28604 7583 -36187 -36187 7.946 -10.322 0.47625 5.8655e+05 2024-05-19 11:08:59,035 INFO [main.py:798]
{rank 0/64} MD step = 309400 step time: 00:00:00.350472 Performance: 36.678 ns/day 0.654 hours/ns 2.123 steps/s 2024-05-19 11:09:05,854 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 309400 61880 70.624 -28482 7740.5 -36222 -36222 7.9419 -10.324 0.4774 5.8675e+05 2024-05-19 11:09:40,968 INFO [main.py:798]
{rank 0/64} MD step = 309500 step time: 00:00:00.348173 Performance: 36.679 ns/day 0.654 hours/ns 2.123 steps/s 2024-05-19 11:09:54,924 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 309500 61900 69.077 -28540 7570.9 -36111 -36111 7.9379 -10.326 0.47939 5.8697e+05 2024-05-19 11:10:31,400 INFO [main.py:798]
{rank 0/64} MD step = 309600 step time: 00:00:00.351122 Performance: 36.678 ns/day 0.654 hours/ns 2.123 steps/s 2024-05-19 11:10:39,173 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 309600 61920 69.915 -28335 7662.8 -35998 -35998 7.9373 -10.328 0.48048 5.8715e+05 2024-05-19 11:11:15,233 INFO [main.py:798]
{rank 0/64} MD step = 309700 step time: 00:00:00.366097 Performance: 36.679 ns/day 0.654 hours/ns 2.123 steps/s 2024-05-19 11:11:22,071 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 309700 61940 70.515 -28470 7728.5 -36199 -36199 7.9335 -10.331 0.48117 5.8728e+05 2024-05-19 11:11:55,458 INFO [main.py:798]
{rank 0/64} MD step = 309800 step time: 00:00:00.349855 Performance: 36.681 ns/day 0.654 hours/ns 2.123 steps/s 2024-05-19 11:12:01,838 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 309800 61960 70.276 -28265 7702.3 -35967 -35967 7.9309 -10.332 0.48243 5.8749e+05 2024-05-19 11:12:36,329 INFO [main.py:798]
{rank 0/64} MD step = 309900 step time: 00:00:00.348567 Performance: 36.682 ns/day 0.654 hours/ns 2.123 steps/s 2024-05-19 11:12:43,895 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 309900 61980 70.404 -28465 7716.4 -36181 -36181 7.9263 -10.334 0.48456 5.877e+05 2024-05-19 11:13:19,564 INFO [main.py:798]
{rank 0/64} MD step = 310000 step time: 00:00:00.326202 Performance: 36.683 ns/day 0.654 hours/ns 2.123 steps/s 2024-05-19 11:13:26,050 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310000 62000 69.688 -28550 7637.9 -36188 -36188 7.9228 -10.336 0.48479 5.8786e+05 2024-05-19 11:14:00,905 INFO [main.py:798]
{rank 0/64} MD step = 310100 step time: 00:00:00.351954 Performance: 36.685 ns/day 0.654 hours/ns 2.123 steps/s 2024-05-19 11:14:06,699 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310100 62020 70.436 -28297 7719.9 -36017 -36017 7.9192 -10.338 0.48616 5.8808e+05 2024-05-19 11:14:41,192 INFO [main.py:798]
{rank 0/64} MD step = 310200 step time: 00:00:00.350656 Performance: 36.687 ns/day 0.654 hours/ns 2.123 steps/s 2024-05-19 11:14:47,497 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310200 62040 69.402 -28530 7606.6 -36136 -36136 7.916 -10.339 0.48615 5.8826e+05 2024-05-19 11:15:21,933 INFO [main.py:798]
{rank 0/64} MD step = 310300 step time: 00:00:00.358558 Performance: 36.688 ns/day 0.654 hours/ns 2.123 steps/s 2024-05-19 11:15:28,887 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310300 62060 70.25 -28483 7699.5 -36183 -36183 7.9128 -10.341 0.48635 5.8849e+05 2024-05-19 11:16:04,210 INFO [main.py:798]
{rank 0/64} MD step = 310400 step time: 00:00:00.359133 Performance: 36.689 ns/day 0.654 hours/ns 2.123 steps/s 2024-05-19 11:16:10,885 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310400 62080 69.367 -28345 7602.7 -35947 -35947 7.9102 -10.343 0.48723 5.8871e+05 2024-05-19 11:16:47,133 INFO [main.py:798]
{rank 0/64} MD step = 310500 step time: 00:00:00.375296 Performance: 36.690 ns/day 0.654 hours/ns 2.123 steps/s 2024-05-19 11:16:53,177 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310500 62100 70.401 -28446 7716.1 -36162 -36162 7.9093 -10.345 0.48848 5.8885e+05 2024-05-19 11:17:29,883 INFO [main.py:798]
{rank 0/64} MD step = 310600 step time: 00:00:00.368337 Performance: 36.692 ns/day 0.654 hours/ns 2.123 steps/s 2024-05-19 11:17:35,754 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310600 62120 69.353 -28535 7601.2 -36136 -36136 7.9067 -10.348 0.49043 5.8905e+05 2024-05-19 11:18:10,187 INFO [main.py:798]
{rank 0/64} MD step = 310700 step time: 00:00:00.349009 Performance: 36.693 ns/day 0.654 hours/ns 2.123 steps/s 2024-05-19 11:18:17,647 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310700 62140 70.123 -28481 7685.6 -36167 -36167 7.9042 -10.348 0.49282 5.8926e+05 2024-05-19 11:18:52,144 INFO [main.py:798]
{rank 0/64} MD step = 310800 step time: 00:00:00.358569 Performance: 36.695 ns/day 0.654 hours/ns 2.124 steps/s 2024-05-19 11:18:58,384 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310800 62160 69.864 -28640 7657.2 -36297 -36297 7.9027 -10.349 0.49498 5.8944e+05 2024-05-19 11:19:32,945 INFO [main.py:798]
{rank 0/64} MD step = 310900 step time: 00:00:00.344299 Performance: 36.696 ns/day 0.654 hours/ns 2.124 steps/s 2024-05-19 11:19:37,406 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310900 62180 69.265 -28544 7591.5 -36135 -36135 7.8975 -10.351 0.49631 5.8966e+05 2024-05-19 11:20:13,222 INFO [main.py:798]
{rank 0/64} MD step = 311000 step time: 00:00:00.358546 Performance: 36.698 ns/day 0.654 hours/ns 2.124 steps/s 2024-05-19 11:20:19,341 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311000 62200 70.498 -28375 7726.6 -36102 -36102 7.8948 -10.352 0.49743 5.8985e+05 2024-05-19 11:20:54,119 INFO [main.py:798]
{rank 0/64} MD step = 311100 step time: 00:00:00.354839 Performance: 36.699 ns/day 0.654 hours/ns 2.124 steps/s 2024-05-19 11:21:01,562 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311100 62220 69.89 -28482 7660.1 -36142 -36142 7.8905 -10.354 0.4982 5.9004e+05 2024-05-19 11:21:35,946 INFO [main.py:798]
{rank 0/64} MD step = 311200 step time: 00:00:00.344544 Performance: 36.701 ns/day 0.654 hours/ns 2.124 steps/s 2024-05-19 11:21:41,968 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311200 62240 70.312 -28500 7706.3 -36207 -36207 7.8879 -10.355 0.49767 5.902e+05 2024-05-19 11:22:18,784 INFO [main.py:798]
{rank 0/64} MD step = 311300 step time: 00:00:00.370196 Performance: 36.702 ns/day 0.654 hours/ns 2.124 steps/s 2024-05-19 11:22:25,484 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311300 62260 69.005 -28614 7563 -36177 -36177 7.8843 -10.356 0.49763 5.9039e+05 2024-05-19 11:22:59,835 INFO [main.py:798]
{rank 0/64} MD step = 311400 step time: 00:00:00.337752 Performance: 36.703 ns/day 0.654 hours/ns 2.124 steps/s 2024-05-19 11:23:57,286 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311400 62280 69.057 -28679 7568.7 -36248 -36248 7.8799 -10.357 0.49946 5.9055e+05 2024-05-19 11:24:33,708 INFO [main.py:798]
{rank 0/64} MD step = 311500 step time: 00:00:00.369058 Performance: 36.692 ns/day 0.654 hours/ns 2.123 steps/s 2024-05-19 11:24:41,832 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311500 62300 70.355 -28609 7711 -36320 -36320 7.8768 -10.357 0.49923 5.9073e+05 2024-05-19 11:25:16,526 INFO [main.py:798]
{rank 0/64} MD step = 311600 step time: 00:00:00.348561 Performance: 36.693 ns/day 0.654 hours/ns 2.123 steps/s 2024-05-19 11:25:31,060 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311600 62320 69.772 -28504 7647.1 -36151 -36151 7.8758 -10.358 0.50167 5.9095e+05 2024-05-19 11:26:05,835 INFO [main.py:798]
{rank 0/64} MD step = 311700 step time: 00:00:00.330242 Performance: 36.692 ns/day 0.654 hours/ns 2.123 steps/s 2024-05-19 11:26:11,969 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311700 62340 70.6 -28433 7737.8 -36171 -36171 7.8741 -10.359 0.50433 5.9114e+05 2024-05-19 11:26:45,209 INFO [main.py:798]
{rank 0/64} MD step = 311800 step time: 00:00:00.338649 Performance: 36.694 ns/day 0.654 hours/ns 2.123 steps/s 2024-05-19 11:26:51,499 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311800 62360 69.699 -28523 7639.1 -36162 -36162 7.8716 -10.362 0.5039 5.9132e+05 2024-05-19 11:27:25,360 INFO [main.py:798]
{rank 0/64} MD step = 311900 step time: 00:00:00.351087 Performance: 36.696 ns/day 0.654 hours/ns 2.124 steps/s 2024-05-19 11:27:31,994 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311900 62380 69.026 -28564 7565.3 -36130 -36130 7.8692 -10.363 0.50456 5.9151e+05 2024-05-19 11:28:06,897 INFO [main.py:798]
{rank 0/64} MD step = 312000 step time: 00:00:00.347157 Performance: 36.697 ns/day 0.654 hours/ns 2.124 steps/s 2024-05-19 11:28:18,294 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312000 62400 69.711 -28503 7640.4 -36143 -36143 7.8681 -10.363 0.50588 5.9172e+05 2024-05-19 11:28:53,784 INFO [main.py:798]
{rank 0/64} MD step = 312100 step time: 00:00:00.379777 Performance: 36.697 ns/day 0.654 hours/ns 2.124 steps/s 2024-05-19 11:29:05,561 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312100 62420 69.969 -28628 7668.7 -36297 -36297 7.8644 -10.365 0.50651 5.9189e+05 2024-05-19 11:29:39,223 INFO [main.py:798]
{rank 0/64} MD step = 312200 step time: 00:00:00.333754 Performance: 36.698 ns/day 0.654 hours/ns 2.124 steps/s 2024-05-19 11:29:46,488 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312200 62440 68.692 -28723 7528.7 -36252 -36252 7.8611 -10.365 0.50643 5.9209e+05 2024-05-19 11:30:20,520 INFO [main.py:798]
{rank 0/64} MD step = 312300 step time: 00:00:00.338059 Performance: 36.699 ns/day 0.654 hours/ns 2.124 steps/s 2024-05-19 11:30:26,078 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312300 62460 70.894 -28459 7770 -36229 -36229 7.8581 -10.367 0.50856 5.9228e+05 2024-05-19 11:31:01,963 INFO [main.py:798]
{rank 0/64} MD step = 312400 step time: 00:00:00.346407 Performance: 36.700 ns/day 0.654 hours/ns 2.124 steps/s 2024-05-19 11:31:10,184 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312400 62480 69.549 -28392 7622.7 -36015 -36015 7.8543 -10.368 0.50888 5.9249e+05 2024-05-19 11:31:44,441 INFO [main.py:798]
{rank 0/64} MD step = 312500 step time: 00:00:00.355283 Performance: 36.702 ns/day 0.654 hours/ns 2.124 steps/s 2024-05-19 11:31:53,217 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312500 62500 69.83 -28376 7653.5 -36030 -36030 7.8502 -10.371 0.51001 5.9268e+05 2024-05-19 11:32:27,705 INFO [main.py:798]
{rank 0/64} MD step = 312600 step time: 00:00:00.352707 Performance: 36.703 ns/day 0.654 hours/ns 2.124 steps/s 2024-05-19 11:32:34,508 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312600 62520 70.786 -28574 7758.2 -36333 -36333 7.848 -10.373 0.5113 5.9279e+05 2024-05-19 11:33:08,249 INFO [main.py:798]
{rank 0/64} MD step = 312700 step time: 00:00:00.357869 Performance: 36.704 ns/day 0.654 hours/ns 2.124 steps/s 2024-05-19 11:33:14,362 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312700 62540 70.491 -28343 7725.9 -36069 -36069 7.8443 -10.376 0.51194 5.9303e+05 2024-05-19 11:33:48,199 INFO [main.py:798]
{rank 0/64} MD step = 312800 step time: 00:00:00.345854 Performance: 36.706 ns/day 0.654 hours/ns 2.124 steps/s 2024-05-19 11:33:54,264 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312800 62560 69.651 -28512 7633.9 -36146 -36146 7.8414 -10.377 0.51391 5.932e+05 2024-05-19 11:34:28,231 INFO [main.py:798]
{rank 0/64} MD step = 312900 step time: 00:00:00.358579 Performance: 36.708 ns/day 0.654 hours/ns 2.124 steps/s 2024-05-19 11:34:37,297 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312900 62580 70.052 -28526 7677.8 -36204 -36204 7.8371 -10.376 0.51371 5.9335e+05 2024-05-19 11:35:10,935 INFO [main.py:798]
{rank 0/64} MD step = 313000 step time: 00:00:00.340055 Performance: 36.709 ns/day 0.654 hours/ns 2.124 steps/s 2024-05-19 11:35:19,587 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 313000 62600 70.295 -28374 7704.4 -36079 -36079 7.8351 -10.377 0.51447 5.9357e+05 2024-05-19 11:35:55,484 INFO [main.py:798]
{rank 0/64} MD step = 313100 step time: 00:00:00.350466 Performance: 36.709 ns/day 0.654 hours/ns 2.124 steps/s 2024-05-19 11:36:02,659 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 313100 62620 69.221 -28475 7586.8 -36062 -36062 7.8311 -10.379 0.5141 5.938e+05 2024-05-19 11:36:36,439 INFO [main.py:798]
{rank 0/64} MD step = 313200 step time: 00:00:00.346988 Performance: 36.711 ns/day 0.654 hours/ns 2.124 steps/s 2024-05-19 11:36:43,457 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 313200 62640 69.788 -28449 7648.8 -36098 -36098 7.8286 -10.38 0.51639 5.9395e+05 2024-05-19 11:37:17,995 INFO [main.py:798]
{rank 0/64} MD step = 313300 step time: 00:00:00.337424 Performance: 36.712 ns/day 0.654 hours/ns 2.125 steps/s 2024-05-19 11:37:26,511 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 313300 62660 71.21 -28109 7804.7 -35914 -35914 7.8247 -10.381 0.51792 5.9418e+05 2024-05-19 11:38:00,504 INFO [main.py:798]
{rank 0/64} MD step = 313400 step time: 00:00:00.342639 Performance: 36.713 ns/day 0.654 hours/ns 2.125 steps/s 2024-05-19 11:38:07,417 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 313400 62680 70.006 -28403 7672.7 -36075 -36075 7.8206 -10.383 0.52062 5.9437e+05 2024-05-19 11:38:43,023 INFO [main.py:798]
{rank 0/64} MD step = 313500 step time: 00:00:00.345673 Performance: 36.715 ns/day 0.654 hours/ns 2.125 steps/s 2024-05-19 11:39:04,570 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 313500 62700 70.179 -28181 7691.7 -35872 -35872 7.8185 -10.383 0.52266 5.9459e+05 2024-05-19 11:39:38,654 INFO [main.py:798]
{rank 0/64} MD step = 313600 step time: 00:00:00.343882 Performance: 36.712 ns/day 0.654 hours/ns 2.125 steps/s 2024-05-19 11:39:57,581 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 313600 62720 70.5 -28229 7726.9 -35956 -35956 7.8172 -10.385 0.52388 5.9477e+05 2024-05-19 11:40:32,425 INFO [main.py:798]
{rank 0/64} MD step = 313700 step time: 00:00:00.349497 Performance: 36.711 ns/day 0.654 hours/ns 2.124 steps/s 2024-05-19 11:40:43,896 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 313700 62740 70.583 -28330 7736 -36066 -36066 7.8158 -10.384 0.52552 5.9492e+05 2024-05-19 11:41:19,340 INFO [main.py:798]
{rank 0/64} MD step = 313800 step time: 00:00:00.341729 Performance: 36.711 ns/day 0.654 hours/ns 2.124 steps/s 2024-05-19 11:41:26,004 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 313800 62760 69.259 -28487 7590.9 -36078 -36078 7.8129 -10.383 0.52674 5.9513e+05 2024-05-19 11:42:00,192 INFO [main.py:798]
{rank 0/64} MD step = 313900 step time: 00:00:00.344778 Performance: 36.712 ns/day 0.654 hours/ns 2.125 steps/s 2024-05-19 11:42:07,380 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 313900 62780 69.845 -28394 7655.1 -36049 -36049 7.808 -10.385 0.52649 5.9529e+05 2024-05-19 11:42:42,271 INFO [main.py:798]
{rank 0/64} MD step = 314000 step time: 00:00:00.354144 Performance: 36.714 ns/day 0.654 hours/ns 2.125 steps/s 2024-05-19 11:42:49,651 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314000 62800 69.734 -28435 7642.9 -36078 -36078 7.805 -10.387 0.52689 5.9547e+05 2024-05-19 11:43:24,485 INFO [main.py:798]
{rank 0/64} MD step = 314100 step time: 00:00:00.374911 Performance: 36.715 ns/day 0.654 hours/ns 2.125 steps/s 2024-05-19 11:43:30,522 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314100 62820 69.76 -28503 7645.8 -36149 -36149 7.8018 -10.388 0.52593 5.9565e+05 2024-05-19 11:44:04,564 INFO [main.py:798]
{rank 0/64} MD step = 314200 step time: 00:00:00.338620 Performance: 36.717 ns/day 0.654 hours/ns 2.125 steps/s 2024-05-19 11:44:11,281 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314200 62840 70.341 -28340 7709.4 -36050 -36050 7.7994 -10.388 0.52729 5.9585e+05 2024-05-19 11:44:45,557 INFO [main.py:798]
{rank 0/64} MD step = 314300 step time: 00:00:00.347459 Performance: 36.718 ns/day 0.654 hours/ns 2.125 steps/s 2024-05-19 11:44:52,835 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314300 62860 70.036 -28400 7676.1 -36076 -36076 7.795 -10.388 0.52868 5.9605e+05 2024-05-19 11:45:25,964 INFO [main.py:798]
{rank 0/64} MD step = 314400 step time: 00:00:00.343382 Performance: 36.720 ns/day 0.654 hours/ns 2.125 steps/s 2024-05-19 11:45:36,557 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314400 62880 69.787 -28313 7648.8 -35962 -35962 7.7922 -10.39 0.53016 5.9627e+05 2024-05-19 11:46:11,445 INFO [main.py:798]
{rank 0/64} MD step = 314500 step time: 00:00:00.349486 Performance: 36.720 ns/day 0.654 hours/ns 2.125 steps/s 2024-05-19 11:46:20,496 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314500 62900 70.075 -28367 7680.3 -36047 -36047 7.7886 -10.391 0.52993 5.9644e+05 2024-05-19 11:46:54,730 INFO [main.py:798]
{rank 0/64} MD step = 314600 step time: 00:00:00.359851 Performance: 36.721 ns/day 0.654 hours/ns 2.125 steps/s 2024-05-19 11:47:00,955 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314600 62920 70.66 -28200 7744.4 -35944 -35944 7.7849 -10.392 0.53112 5.9665e+05 2024-05-19 11:47:35,311 INFO [main.py:798]
{rank 0/64} MD step = 314700 step time: 00:00:00.354827 Performance: 36.723 ns/day 0.654 hours/ns 2.125 steps/s 2024-05-19 11:47:42,322 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314700 62940 70.068 -28313 7679.6 -35993 -35993 7.7814 -10.394 0.53271 5.9682e+05 2024-05-19 11:48:16,920 INFO [main.py:798]
{rank 0/64} MD step = 314800 step time: 00:00:00.338865 Performance: 36.724 ns/day 0.654 hours/ns 2.125 steps/s 2024-05-19 11:48:26,138 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314800 62960 69.918 -28466 7663.1 -36129 -36129 7.7785 -10.393 0.53405 5.9701e+05 2024-05-19 11:49:00,384 INFO [main.py:798]
{rank 0/64} MD step = 314900 step time: 00:00:00.349354 Performance: 36.725 ns/day 0.654 hours/ns 2.125 steps/s 2024-05-19 11:49:17,841 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314900 62980 69.491 -28585 7616.2 -36202 -36202 7.7762 -10.395 0.53686 5.9717e+05 2024-05-19 11:49:52,144 INFO [main.py:798]
{rank 0/64} MD step = 315000 step time: 00:00:00.343997 Performance: 36.724 ns/day 0.654 hours/ns 2.125 steps/s 2024-05-19 11:50:00,337 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 315000 63000 69.132 -28279 7577 -35856 -35856 7.7721 -10.393 0.53853 5.9741e+05 2024-05-19 11:50:34,682 INFO [main.py:798]
{rank 0/64} MD step = 315100 step time: 00:00:00.348356 Performance: 36.725 ns/day 0.654 hours/ns 2.125 steps/s 2024-05-19 11:50:41,163 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 315100 63020 69.655 -28361 7634.3 -35995 -35995 7.7684 -10.393 0.53969 5.9759e+05 2024-05-19 11:51:15,342 INFO [main.py:798]
{rank 0/64} MD step = 315200 step time: 00:00:00.354155 Performance: 36.726 ns/day 0.653 hours/ns 2.125 steps/s 2024-05-19 11:51:21,456 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 315200 63040 69.786 -28363 7648.7 -36012 -36012 7.7631 -10.393 0.54054 5.9775e+05 2024-05-19 11:51:55,301 INFO [main.py:798]
{rank 0/64} MD step = 315300 step time: 00:00:00.346865 Performance: 36.728 ns/day 0.653 hours/ns 2.125 steps/s 2024-05-19 11:52:04,886 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 315300 63060 69.373 -28236 7603.3 -35840 -35840 7.7591 -10.395 0.54137 5.9793e+05 2024-05-19 11:52:39,253 INFO [main.py:798]
{rank 0/64} MD step = 315400 step time: 00:00:00.348334 Performance: 36.729 ns/day 0.653 hours/ns 2.126 steps/s 2024-05-19 11:53:05,918 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 315400 63080 69.685 -28159 7637.5 -35797 -35797 7.7551 -10.395 0.54123 5.9815e+05 2024-05-19 11:53:40,072 INFO [main.py:798]
{rank 0/64} MD step = 315500 step time: 00:00:00.368048 Performance: 36.726 ns/day 0.653 hours/ns 2.125 steps/s 2024-05-19 11:53:56,541 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 315500 63100 69.456 -28378 7612.4 -35991 -35991 7.7515 -10.394 0.54196 5.983e+05 2024-05-19 11:54:31,182 INFO [main.py:798]
{rank 0/64} MD step = 315600 step time: 00:00:00.368885 Performance: 36.725 ns/day 0.654 hours/ns 2.125 steps/s 2024-05-19 11:54:38,716 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 315600 63120 69.366 -28283 7602.6 -35885 -35885 7.749 -10.395 0.54214 5.985e+05 2024-05-19 11:55:14,663 INFO [main.py:798]
{rank 0/64} MD step = 315700 step time: 00:00:00.372181 Performance: 36.725 ns/day 0.653 hours/ns 2.125 steps/s 2024-05-19 11:55:22,135 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 315700 63140 69.391 -28311 7605.3 -35917 -35917 7.7475 -10.396 0.54312 5.9871e+05 2024-05-19 11:55:56,488 INFO [main.py:798]
{rank 0/64} MD step = 315800 step time: 00:00:00.346872 Performance: 36.727 ns/day 0.653 hours/ns 2.125 steps/s 2024-05-19 11:56:02,236 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 315800 63160 70.118 -28186 7685 -35871 -35871 7.7447 -10.396 0.54515 5.9888e+05 2024-05-19 11:56:36,238 INFO [main.py:798]
{rank 0/64} MD step = 315900 step time: 00:00:00.331715 Performance: 36.728 ns/day 0.653 hours/ns 2.125 steps/s 2024-05-19 11:56:42,525 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 315900 63180 70.521 -28087 7729.2 -35816 -35816 7.7417 -10.396 0.54691 5.9911e+05 2024-05-19 11:57:16,758 INFO [main.py:798]
{rank 0/64} MD step = 316000 step time: 00:00:00.342023 Performance: 36.730 ns/day 0.653 hours/ns 2.126 steps/s 2024-05-19 11:57:23,673 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316000 63200 69.871 -28310 7657.9 -35968 -35968 7.7392 -10.395 0.54746 5.9928e+05 2024-05-19 11:57:58,807 INFO [main.py:798]
{rank 0/64} MD step = 316100 step time: 00:00:00.370065 Performance: 36.731 ns/day 0.653 hours/ns 2.126 steps/s 2024-05-19 11:58:15,450 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316100 63220 69.302 -28329 7595.6 -35924 -35924 7.7353 -10.393 0.54874 5.9944e+05 2024-05-19 11:58:49,216 INFO [main.py:798]
{rank 0/64} MD step = 316200 step time: 00:00:00.336276 Performance: 36.730 ns/day 0.653 hours/ns 2.126 steps/s 2024-05-19 11:58:54,523 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316200 63240 69.714 -28202 7640.7 -35843 -35843 7.7311 -10.395 0.5483 5.9966e+05 2024-05-19 11:59:28,889 INFO [main.py:798]
{rank 0/64} MD step = 316300 step time: 00:00:00.355391 Performance: 36.732 ns/day 0.653 hours/ns 2.126 steps/s 2024-05-19 11:59:41,430 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316300 63260 70.096 -28156 7682.6 -35839 -35839 7.7301 -10.397 0.55079 5.9981e+05 2024-05-19 12:00:14,658 INFO [main.py:798]
{rank 0/64} MD step = 316400 step time: 00:00:00.351801 Performance: 36.733 ns/day 0.653 hours/ns 2.126 steps/s 2024-05-19 12:00:21,257 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316400 63280 69.964 -28470 7668.2 -36138 -36138 7.7268 -10.397 0.55226 5.9995e+05 2024-05-19 12:00:55,220 INFO [main.py:798]
{rank 0/64} MD step = 316500 step time: 00:00:00.334384 Performance: 36.734 ns/day 0.653 hours/ns 2.126 steps/s 2024-05-19 12:01:01,746 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316500 63300 70.592 -28400 7736.9 -36137 -36137 7.7229 -10.396 0.55211 6.0016e+05 2024-05-19 12:01:35,794 INFO [main.py:798]
{rank 0/64} MD step = 316600 step time: 00:00:00.348790 Performance: 36.736 ns/day 0.653 hours/ns 2.126 steps/s 2024-05-19 12:01:45,291 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316600 63320 70.504 -28126 7727.4 -35854 -35854 7.7197 -10.396 0.55207 6.004e+05 2024-05-19 12:02:18,969 INFO [main.py:798]
{rank 0/64} MD step = 316700 step time: 00:00:00.328750 Performance: 36.737 ns/day 0.653 hours/ns 2.126 steps/s 2024-05-19 12:02:26,853 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316700 63340 69.687 -28219 7637.8 -35856 -35856 7.7164 -10.398 0.5531 6.0058e+05 2024-05-19 12:03:01,820 INFO [main.py:798]
{rank 0/64} MD step = 316800 step time: 00:00:00.347646 Performance: 36.738 ns/day 0.653 hours/ns 2.126 steps/s 2024-05-19 12:03:08,540 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316800 63360 69.596 -28471 7627.8 -36099 -36099 7.7143 -10.398 0.55524 6.0078e+05 2024-05-19 12:03:42,697 INFO [main.py:798]
{rank 0/64} MD step = 316900 step time: 00:00:00.349386 Performance: 36.739 ns/day 0.653 hours/ns 2.126 steps/s 2024-05-19 12:03:48,479 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316900 63380 70.085 -28279 7681.4 -35961 -35961 7.7113 -10.398 0.55739 6.0099e+05 2024-05-19 12:04:22,393 INFO [main.py:798]
{rank 0/64} MD step = 317000 step time: 00:00:00.331133 Performance: 36.741 ns/day 0.653 hours/ns 2.126 steps/s 2024-05-19 12:04:33,018 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317000 63400 70.585 -28319 7736.2 -36055 -36055 7.7076 -10.397 0.55942 6.0118e+05 2024-05-19 12:05:08,622 INFO [main.py:798]
{rank 0/64} MD step = 317100 step time: 00:00:00.331538 Performance: 36.741 ns/day 0.653 hours/ns 2.126 steps/s 2024-05-19 12:05:21,257 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317100 63420 71.061 -28195 7788.3 -35984 -35984 7.7032 -10.397 0.56163 6.014e+05 2024-05-19 12:05:55,266 INFO [main.py:798]
{rank 0/64} MD step = 317200 step time: 00:00:00.336463 Performance: 36.741 ns/day 0.653 hours/ns 2.126 steps/s 2024-05-19 12:06:29,034 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317200 63440 69.503 -28447 7617.6 -36064 -36064 7.6994 -10.398 0.56255 6.0155e+05 2024-05-19 12:07:04,014 INFO [main.py:798]
{rank 0/64} MD step = 317300 step time: 00:00:00.352386 Performance: 36.736 ns/day 0.653 hours/ns 2.126 steps/s 2024-05-19 12:07:13,877 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317300 63460 70.364 -28161 7711.9 -35873 -35873 7.6968 -10.399 0.56363 6.0178e+05 2024-05-19 12:07:48,244 INFO [main.py:798]
{rank 0/64} MD step = 317400 step time: 00:00:00.352730 Performance: 36.737 ns/day 0.653 hours/ns 2.126 steps/s 2024-05-19 12:07:55,514 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317400 63480 69.433 -28227 7609.9 -35837 -35837 7.6914 -10.4 0.56444 6.0201e+05 2024-05-19 12:08:29,775 INFO [main.py:798]
{rank 0/64} MD step = 317500 step time: 00:00:00.357975 Performance: 36.738 ns/day 0.653 hours/ns 2.126 steps/s 2024-05-19 12:08:35,726 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317500 63500 70.382 -28407 7714 -36121 -36121 7.6877 -10.399 0.56546 6.0216e+05 2024-05-19 12:09:10,991 INFO [main.py:798]
{rank 0/64} MD step = 317600 step time: 00:00:00.346147 Performance: 36.740 ns/day 0.653 hours/ns 2.126 steps/s 2024-05-19 12:09:17,366 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317600 63520 71.395 -28423 7825 -36248 -36248 7.686 -10.4 0.56647 6.0235e+05 2024-05-19 12:09:51,719 INFO [main.py:798]
{rank 0/64} MD step = 317700 step time: 00:00:00.350989 Performance: 36.741 ns/day 0.653 hours/ns 2.126 steps/s 2024-05-19 12:09:59,497 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317700 63540 68.706 -28616 7530.2 -36146 -36146 7.6828 -10.402 0.56491 6.0255e+05 2024-05-19 12:10:33,783 INFO [main.py:798]
{rank 0/64} MD step = 317800 step time: 00:00:00.356934 Performance: 36.742 ns/day 0.653 hours/ns 2.126 steps/s 2024-05-19 12:10:38,636 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317800 63560 69.514 -28514 7618.9 -36133 -36133 7.6809 -10.402 0.56668 6.0272e+05 2024-05-19 12:11:14,286 INFO [main.py:798]
{rank 0/64} MD step = 317900 step time: 00:00:00.350312 Performance: 36.744 ns/day 0.653 hours/ns 2.126 steps/s 2024-05-19 12:11:20,245 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317900 63580 70.159 -28347 7689.5 -36036 -36036 7.6794 -10.404 0.56651 6.0292e+05 2024-05-19 12:11:55,044 INFO [main.py:798]
{rank 0/64} MD step = 318000 step time: 00:00:00.371066 Performance: 36.745 ns/day 0.653 hours/ns 2.126 steps/s 2024-05-19 12:12:01,999 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318000 63600 70.062 -28322 7678.9 -36001 -36001 7.6755 -10.404 0.56809 6.0314e+05 2024-05-19 12:12:35,625 INFO [main.py:798]
{rank 0/64} MD step = 318100 step time: 00:00:00.346196 Performance: 36.747 ns/day 0.653 hours/ns 2.127 steps/s 2024-05-19 12:12:46,641 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318100 63620 71.023 -28248 7784.2 -36032 -36032 7.6731 -10.405 0.57048 6.0333e+05 2024-05-19 12:13:21,580 INFO [main.py:798]
{rank 0/64} MD step = 318200 step time: 00:00:00.346417 Performance: 36.747 ns/day 0.653 hours/ns 2.127 steps/s 2024-05-19 12:13:31,383 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318200 63640 69.128 -28649 7576.6 -36225 -36225 7.6704 -10.406 0.57198 6.0353e+05 2024-05-19 12:14:05,338 INFO [main.py:798]
{rank 0/64} MD step = 318300 step time: 00:00:00.353299 Performance: 36.748 ns/day 0.653 hours/ns 2.127 steps/s 2024-05-19 12:14:12,772 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318300 63660 69.946 -28575 7666.2 -36241 -36241 7.6679 -10.406 0.57167 6.0371e+05 2024-05-19 12:14:56,354 INFO [main.py:798]
{rank 0/64} MD step = 318400 step time: 00:00:00.352994 Performance: 36.747 ns/day 0.653 hours/ns 2.127 steps/s 2024-05-19 12:15:06,354 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318400 63680 70.527 -28354 7729.9 -36084 -36084 7.6643 -10.407 0.57173 6.0391e+05 2024-05-19 12:15:40,814 INFO [main.py:798]
{rank 0/64} MD step = 318500 step time: 00:00:00.355465 Performance: 36.748 ns/day 0.653 hours/ns 2.127 steps/s 2024-05-19 12:15:47,395 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318500 63700 69.386 -28454 7604.8 -36059 -36059 7.6605 -10.407 0.5731 6.0409e+05 2024-05-19 12:16:22,151 INFO [main.py:798]
{rank 0/64} MD step = 318600 step time: 00:00:00.357597 Performance: 36.749 ns/day 0.653 hours/ns 2.127 steps/s 2024-05-19 12:16:28,508 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318600 63720 68.444 -28593 7501.6 -36095 -36095 7.6571 -10.406 0.57469 6.0429e+05 2024-05-19 12:17:02,119 INFO [main.py:798]
{rank 0/64} MD step = 318700 step time: 00:00:00.336909 Performance: 36.751 ns/day 0.653 hours/ns 2.127 steps/s 2024-05-19 12:17:12,172 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318700 63740 68.816 -28669 7542.3 -36211 -36211 7.6544 -10.406 0.5788 6.0446e+05 2024-05-19 12:17:46,206 INFO [main.py:798]
{rank 0/64} MD step = 318800 step time: 00:00:00.355507 Performance: 36.752 ns/day 0.653 hours/ns 2.127 steps/s 2024-05-19 12:18:04,039 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318800 63760 70.202 -28463 7694.2 -36158 -36158 7.6514 -10.408 0.57919 6.0466e+05 2024-05-19 12:18:40,249 INFO [main.py:798]
{rank 0/64} MD step = 318900 step time: 00:00:00.330602 Performance: 36.750 ns/day 0.653 hours/ns 2.127 steps/s 2024-05-19 12:19:01,647 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318900 63780 70.165 -28641 7690.2 -36331 -36331 7.6479 -10.41 0.58117 6.0484e+05 2024-05-19 12:19:37,266 INFO [main.py:798]
{rank 0/64} MD step = 319000 step time: 00:00:00.357431 Performance: 36.747 ns/day 0.653 hours/ns 2.127 steps/s 2024-05-19 12:19:42,968 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319000 63800 69.139 -28586 7577.7 -36164 -36164 7.6458 -10.411 0.58146 6.0506e+05 2024-05-19 12:20:17,453 INFO [main.py:798]
{rank 0/64} MD step = 319100 step time: 00:00:00.352120 Performance: 36.749 ns/day 0.653 hours/ns 2.127 steps/s 2024-05-19 12:20:25,867 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319100 63820 69.88 -28432 7659 -36091 -36091 7.6439 -10.412 0.58203 6.0526e+05 2024-05-19 12:21:00,231 INFO [main.py:798]
{rank 0/64} MD step = 319200 step time: 00:00:00.342651 Performance: 36.750 ns/day 0.653 hours/ns 2.127 steps/s 2024-05-19 12:21:04,313 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319200 63840 69.667 -28610 7635.6 -36246 -36246 7.6401 -10.411 0.58219 6.0541e+05 2024-05-19 12:21:38,864 INFO [main.py:798]
{rank 0/64} MD step = 319300 step time: 00:00:00.346748 Performance: 36.752 ns/day 0.653 hours/ns 2.127 steps/s 2024-05-19 12:21:47,842 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319300 63860 69.826 -28545 7653 -36198 -36198 7.6371 -10.411 0.58401 6.0556e+05 2024-05-19 12:22:21,767 INFO [main.py:798]
{rank 0/64} MD step = 319400 step time: 00:00:00.336763 Performance: 36.753 ns/day 0.653 hours/ns 2.127 steps/s 2024-05-19 12:22:30,200 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319400 63880 69.398 -28551 7606.1 -36157 -36157 7.634 -10.413 0.5855 6.0575e+05 2024-05-19 12:23:04,507 INFO [main.py:798]
{rank 0/64} MD step = 319500 step time: 00:00:00.355515 Performance: 36.754 ns/day 0.653 hours/ns 2.127 steps/s 2024-05-19 12:23:12,814 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319500 63900 69.756 -28523 7645.4 -36168 -36168 7.6316 -10.414 0.58553 6.0593e+05 2024-05-19 12:23:46,413 INFO [main.py:798]
{rank 0/64} MD step = 319600 step time: 00:00:00.340390 Performance: 36.756 ns/day 0.653 hours/ns 2.127 steps/s 2024-05-19 12:23:53,607 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319600 63920 70.969 -28273 7778.3 -36052 -36052 7.6292 -10.414 0.58632 6.0611e+05 2024-05-19 12:24:28,008 INFO [main.py:798]
{rank 0/64} MD step = 319700 step time: 00:00:00.353672 Performance: 36.757 ns/day 0.653 hours/ns 2.127 steps/s 2024-05-19 12:24:38,615 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319700 63940 69.886 -28490 7659.6 -36150 -36150 7.6247 -10.415 0.5878 6.0627e+05 2024-05-19 12:25:12,911 INFO [main.py:798]
{rank 0/64} MD step = 319800 step time: 00:00:00.350637 Performance: 36.757 ns/day 0.653 hours/ns 2.127 steps/s 2024-05-19 12:25:20,641 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319800 63960 69.265 -28473 7591.5 -36065 -36065 7.6212 -10.417 0.58803 6.0645e+05 2024-05-19 12:25:54,914 INFO [main.py:798]
{rank 0/64} MD step = 319900 step time: 00:00:00.355427 Performance: 36.759 ns/day 0.653 hours/ns 2.127 steps/s 2024-05-19 12:26:07,642 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319900 63980 69.45 -28425 7611.8 -36036 -36036 7.6188 -10.416 0.58992 6.0666e+05 2024-05-19 12:26:42,205 INFO [main.py:798]
{rank 0/64} MD step = 320000 step time: 00:00:00.348450 Performance: 36.759 ns/day 0.653 hours/ns 2.127 steps/s 2024-05-19 12:26:49,524 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 320000 64000 71.015 -28254 7783.4 -36038 -36038 7.6167 -10.418 0.592 6.0684e+05 2024-05-19 12:27:27,488 INFO [main.py:798]
{rank 0/64} MD step = 320100 step time: 00:00:00.326200 Performance: 36.759 ns/day 0.653 hours/ns 2.127 steps/s 2024-05-19 12:27:43,384 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 320100 64020 69.374 -28492 7603.5 -36095 -36095 7.613 -10.417 0.59245 6.0702e+05 2024-05-19 12:28:17,226 INFO [main.py:798]
{rank 0/64} MD step = 320200 step time: 00:00:00.325585 Performance: 36.758 ns/day 0.653 hours/ns 2.127 steps/s 2024-05-19 12:28:26,271 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 320200 64040 69.325 -28361 7598.1 -35959 -35959 7.6097 -10.418 0.59481 6.0721e+05 2024-05-19 12:29:00,788 INFO [main.py:798]
{rank 0/64} MD step = 320300 step time: 00:00:00.325363 Performance: 36.759 ns/day 0.653 hours/ns 2.127 steps/s 2024-05-19 12:29:08,225 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 320300 64060 69.55 -28522 7622.8 -36145 -36145 7.6071 -10.42 0.59516 6.0741e+05 2024-05-19 12:29:42,439 INFO [main.py:798]
{rank 0/64} MD step = 320400 step time: 00:00:00.325979 Performance: 36.760 ns/day 0.653 hours/ns 2.127 steps/s 2024-05-19 12:29:51,118 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 320400 64080 69.145 -28519 7578.3 -36097 -36097 7.6062 -10.421 0.59506 6.0759e+05 2024-05-19 12:30:25,389 INFO [main.py:798]
{rank 0/64} MD step = 320500 step time: 00:00:00.325273 Performance: 36.761 ns/day 0.653 hours/ns 2.127 steps/s 2024-05-19 12:30:32,933 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 320500 64100 69.54 -28457 7621.6 -36078 -36078 7.6023 -10.423 0.59603 6.0779e+05 2024-05-19 12:31:07,376 INFO [main.py:798]
{rank 0/64} MD step = 320600 step time: 00:00:00.330753 Performance: 36.763 ns/day 0.653 hours/ns 2.127 steps/s 2024-05-19 12:31:17,240 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 320600 64120 70.28 -28480 7702.7 -36183 -36183 7.5966 -10.424 0.59815 6.0797e+05 2024-05-19 12:31:50,979 INFO [main.py:798]
{rank 0/64} MD step = 320700 step time: 00:00:00.342096 Performance: 36.763 ns/day 0.653 hours/ns 2.128 steps/s 2024-05-19 12:32:03,284 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 320700 64140 70.974 -28378 7778.8 -36157 -36157 7.5932 -10.426 0.59847 6.0817e+05 2024-05-19 12:32:38,512 INFO [main.py:798]
{rank 0/64} MD step = 320800 step time: 00:00:00.356940 Performance: 36.763 ns/day 0.653 hours/ns 2.128 steps/s 2024-05-19 12:32:53,859 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 320800 64160 70.63 -28445 7741.1 -36187 -36187 7.5904 -10.426 0.60034 6.0832e+05 2024-05-19 12:33:28,773 INFO [main.py:798]
{rank 0/64} MD step = 320900 step time: 00:00:00.349357 Performance: 36.763 ns/day 0.653 hours/ns 2.127 steps/s 2024-05-19 12:33:34,491 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 320900 64180 69.837 -28442 7654.2 -36096 -36096 7.5867 -10.426 0.60304 6.0853e+05 2024-05-19 12:34:07,435 INFO [main.py:798]
{rank 0/64} MD step = 321000 step time: 00:00:00.324952 Performance: 36.765 ns/day 0.653 hours/ns 2.128 steps/s 2024-05-19 12:34:16,895 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 321000 64200 70.307 -28380 7705.8 -36086 -36086 7.5829 -10.426 0.60356 6.0869e+05 2024-05-19 12:34:52,261 INFO [main.py:798]
{rank 0/64} MD step = 321100 step time: 00:00:00.370704 Performance: 36.765 ns/day 0.653 hours/ns 2.128 steps/s 2024-05-19 12:34:59,714 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 321100 64220 69.339 -28440 7599.6 -36039 -36039 7.5804 -10.424 0.60643 6.0889e+05 2024-05-19 12:35:35,947 INFO [main.py:798]
{rank 0/64} MD step = 321200 step time: 00:00:00.377237 Performance: 36.766 ns/day 0.653 hours/ns 2.128 steps/s 2024-05-19 12:35:42,230 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 321200 64240 70.121 -28475 7685.3 -36160 -36160 7.5758 -10.424 0.60729 6.0908e+05 2024-05-19 12:36:15,967 INFO [main.py:798]
{rank 0/64} MD step = 321300 step time: 00:00:00.344253 Performance: 36.768 ns/day 0.653 hours/ns 2.128 steps/s 2024-05-19 12:36:24,399 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 321300 64260 69.876 -28567 7658.5 -36226 -36226 7.5725 -10.424 0.60857 6.0923e+05 2024-05-19 12:36:58,630 INFO [main.py:798]
{rank 0/64} MD step = 321400 step time: 00:00:00.341034 Performance: 36.769 ns/day 0.653 hours/ns 2.128 steps/s 2024-05-19 12:37:05,732 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 321400 64280 68.93 -28581 7554.8 -36136 -36136 7.5709 -10.425 0.60962 6.0947e+05 2024-05-19 12:37:39,983 INFO [main.py:798]
{rank 0/64} MD step = 321500 step time: 00:00:00.337135 Performance: 36.770 ns/day 0.653 hours/ns 2.128 steps/s 2024-05-19 12:37:50,863 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 321500 64300 69.443 -28691 7611 -36302 -36302 7.569 -10.425 0.61072 6.0963e+05 2024-05-19 12:38:25,599 INFO [main.py:798]
{rank 0/64} MD step = 321600 step time: 00:00:00.349409 Performance: 36.770 ns/day 0.653 hours/ns 2.128 steps/s 2024-05-19 12:38:31,831 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 321600 64320 69.363 -28675 7602.3 -36278 -36278 7.5672 -10.427 0.61175 6.0982e+05 2024-05-19 12:39:06,119 INFO [main.py:798]
{rank 0/64} MD step = 321700 step time: 00:00:00.349268 Performance: 36.772 ns/day 0.653 hours/ns 2.128 steps/s 2024-05-19 12:39:14,638 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 321700 64340 69.888 -28587 7659.8 -36246 -36246 7.5645 -10.428 0.61382 6.0998e+05 2024-05-19 12:39:49,214 INFO [main.py:798]
{rank 0/64} MD step = 321800 step time: 00:00:00.352121 Performance: 36.773 ns/day 0.653 hours/ns 2.128 steps/s 2024-05-19 12:39:54,530 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 321800 64360 69.64 -28465 7632.7 -36098 -36098 7.5589 -10.428 0.61464 6.1016e+05 2024-05-19 12:40:29,184 INFO [main.py:798]
{rank 0/64} MD step = 321900 step time: 00:00:00.348435 Performance: 36.775 ns/day 0.653 hours/ns 2.128 steps/s 2024-05-19 12:40:38,933 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 321900 64380 69.618 -28464 7630.2 -36094 -36094 7.5571 -10.429 0.61523 6.1028e+05 2024-05-19 12:41:12,881 INFO [main.py:798]
{rank 0/64} MD step = 322000 step time: 00:00:00.339007 Performance: 36.775 ns/day 0.653 hours/ns 2.128 steps/s 2024-05-19 12:41:20,890 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 322000 64400 69.545 -28655 7622.2 -36277 -36277 7.5544 -10.428 0.61573 6.1047e+05 2024-05-19 12:41:54,669 INFO [main.py:798]
{rank 0/64} MD step = 322100 step time: 00:00:00.358638 Performance: 36.777 ns/day 0.653 hours/ns 2.128 steps/s 2024-05-19 12:42:06,291 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 322100 64420 70.783 -28488 7757.9 -36246 -36246 7.5498 -10.428 0.61824 6.1068e+05 2024-05-19 12:42:41,906 INFO [main.py:798]
{rank 0/64} MD step = 322200 step time: 00:00:00.373654 Performance: 36.777 ns/day 0.653 hours/ns 2.128 steps/s 2024-05-19 12:42:48,675 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 322200 64440 69.966 -28614 7668.3 -36282 -36282 7.5448 -10.429 0.61805 6.1083e+05 2024-05-19 12:43:23,307 INFO [main.py:798]
{rank 0/64} MD step = 322300 step time: 00:00:00.364813 Performance: 36.778 ns/day 0.653 hours/ns 2.128 steps/s 2024-05-19 12:43:31,933 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 322300 64460 70.484 -28569 7725.1 -36294 -36294 7.5437 -10.429 0.61859 6.1104e+05 2024-05-19 12:44:05,831 INFO [main.py:798]
{rank 0/64} MD step = 322400 step time: 00:00:00.351350 Performance: 36.779 ns/day 0.653 hours/ns 2.128 steps/s 2024-05-19 12:44:21,296 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 322400 64480 69.704 -28793 7639.6 -36433 -36433 7.5402 -10.43 0.62082 6.112e+05 2024-05-19 12:44:56,162 INFO [main.py:798]
{rank 0/64} MD step = 322500 step time: 00:00:00.370102 Performance: 36.778 ns/day 0.653 hours/ns 2.128 steps/s 2024-05-19 12:45:09,084 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 322500 64500 69.283 -28554 7593.5 -36148 -36148 7.5376 -10.429 0.62234 6.1141e+05 2024-05-19 12:45:42,967 INFO [main.py:798]
{rank 0/64} MD step = 322600 step time: 00:00:00.343305 Performance: 36.778 ns/day 0.653 hours/ns 2.128 steps/s 2024-05-19 12:46:10,412 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 322600 64520 68.848 -28576 7545.8 -36122 -36122 7.5354 -10.429 0.62282 6.1163e+05 2024-05-19 12:46:45,246 INFO [main.py:798]
{rank 0/64} MD step = 322700 step time: 00:00:00.340669 Performance: 36.775 ns/day 0.653 hours/ns 2.128 steps/s 2024-05-19 12:46:52,915 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 322700 64540 70.752 -28365 7754.5 -36119 -36119 7.5328 -10.429 0.62428 6.1179e+05 2024-05-19 12:47:28,410 INFO [main.py:798]
{rank 0/64} MD step = 322800 step time: 00:00:00.339747 Performance: 36.775 ns/day 0.653 hours/ns 2.128 steps/s 2024-05-19 12:47:38,537 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 322800 64560 70.061 -28578 7678.8 -36257 -36257 7.5305 -10.43 0.62519 6.1199e+05 2024-05-19 12:48:12,519 INFO [main.py:798]
{rank 0/64} MD step = 322900 step time: 00:00:00.333912 Performance: 36.776 ns/day 0.653 hours/ns 2.128 steps/s 2024-05-19 12:48:21,013 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 322900 64580 69.361 -28563 7602.1 -36165 -36165 7.5271 -10.43 0.62676 6.122e+05 2024-05-19 12:48:56,027 INFO [main.py:798]
{rank 0/64} MD step = 323000 step time: 00:00:00.326085 Performance: 36.777 ns/day 0.653 hours/ns 2.128 steps/s 2024-05-19 12:49:02,440 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323000 64600 70.077 -28580 7680.6 -36260 -36260 7.5242 -10.429 0.63004 6.1238e+05 2024-05-19 12:49:37,280 INFO [main.py:798]
{rank 0/64} MD step = 323100 step time: 00:00:00.325799 Performance: 36.778 ns/day 0.653 hours/ns 2.128 steps/s 2024-05-19 12:49:44,991 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323100 64620 68.993 -28487 7561.7 -36049 -36049 7.5203 -10.429 0.63062 6.1258e+05 2024-05-19 12:50:20,364 INFO [main.py:798]
{rank 0/64} MD step = 323200 step time: 00:00:00.339474 Performance: 36.779 ns/day 0.653 hours/ns 2.128 steps/s 2024-05-19 12:50:27,385 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323200 64640 70.326 -28268 7707.9 -35975 -35975 7.5168 -10.429 0.63078 6.128e+05 2024-05-19 12:51:01,610 INFO [main.py:798]
{rank 0/64} MD step = 323300 step time: 00:00:00.350483 Performance: 36.781 ns/day 0.653 hours/ns 2.129 steps/s 2024-05-19 12:51:07,004 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323300 64660 69.63 -28494 7631.5 -36125 -36125 7.5132 -10.429 0.6313 6.13e+05 2024-05-19 12:51:42,331 INFO [main.py:798]
{rank 0/64} MD step = 323400 step time: 00:00:00.347273 Performance: 36.782 ns/day 0.652 hours/ns 2.129 steps/s 2024-05-19 12:51:49,683 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323400 64680 70.494 -28474 7726.3 -36200 -36200 7.5112 -10.429 0.63266 6.1317e+05 2024-05-19 12:52:23,701 INFO [main.py:798]
{rank 0/64} MD step = 323500 step time: 00:00:00.326809 Performance: 36.784 ns/day 0.652 hours/ns 2.129 steps/s 2024-05-19 12:52:33,816 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323500 64700 68.62 -28752 7520.9 -36273 -36273 7.5087 -10.428 0.63276 6.1336e+05 2024-05-19 12:53:07,642 INFO [main.py:798]
{rank 0/64} MD step = 323600 step time: 00:00:00.350400 Performance: 36.784 ns/day 0.652 hours/ns 2.129 steps/s 2024-05-19 12:53:15,468 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323600 64720 69.482 -28582 7615.3 -36197 -36197 7.5054 -10.428 0.63421 6.1356e+05 2024-05-19 12:53:49,327 INFO [main.py:798]
{rank 0/64} MD step = 323700 step time: 00:00:00.335888 Performance: 36.786 ns/day 0.652 hours/ns 2.129 steps/s 2024-05-19 12:53:58,675 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323700 64740 69.787 -28522 7648.7 -36171 -36171 7.5016 -10.427 0.63542 6.1374e+05 2024-05-19 12:54:32,748 INFO [main.py:798]
{rank 0/64} MD step = 323800 step time: 00:00:00.344790 Performance: 36.787 ns/day 0.652 hours/ns 2.129 steps/s 2024-05-19 12:54:43,546 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323800 64760 70.463 -28345 7722.8 -36068 -36068 7.4975 -10.426 0.63674 6.1394e+05 2024-05-19 12:55:18,558 INFO [main.py:798]
{rank 0/64} MD step = 323900 step time: 00:00:00.349875 Performance: 36.787 ns/day 0.652 hours/ns 2.129 steps/s 2024-05-19 12:55:25,719 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323900 64780 69.738 -28636 7643.4 -36280 -36280 7.4939 -10.425 0.64006 6.141e+05 2024-05-19 12:56:00,367 INFO [main.py:798]
{rank 0/64} MD step = 324000 step time: 00:00:00.352920 Performance: 36.788 ns/day 0.652 hours/ns 2.129 steps/s 2024-05-19 12:56:05,918 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 324000 64800 69.727 -28645 7642.2 -36287 -36287 7.4901 -10.426 0.64227 6.1427e+05 2024-05-19 12:56:42,082 INFO [main.py:798]
{rank 0/64} MD step = 324100 step time: 00:00:00.343171 Performance: 36.789 ns/day 0.652 hours/ns 2.129 steps/s 2024-05-19 12:56:53,957 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 324100 64820 70.581 -28562 7735.8 -36298 -36298 7.4868 -10.427 0.64171 6.1446e+05 2024-05-19 12:57:28,198 INFO [main.py:798]
{rank 0/64} MD step = 324200 step time: 00:00:00.349519 Performance: 36.790 ns/day 0.652 hours/ns 2.129 steps/s 2024-05-19 12:57:48,569 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 324200 64840 69.802 -28465 7650.4 -36116 -36116 7.4829 -10.427 0.64206 6.1467e+05 2024-05-19 12:58:22,346 INFO [main.py:798]
{rank 0/64} MD step = 324300 step time: 00:00:00.350549 Performance: 36.788 ns/day 0.652 hours/ns 2.129 steps/s 2024-05-19 12:58:28,391 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 324300 64860 71.141 -28399 7797.2 -36196 -36196 7.479 -10.428 0.64297 6.1488e+05 2024-05-19 12:59:04,285 INFO [main.py:798]
{rank 0/64} MD step = 324400 step time: 00:00:00.349306 Performance: 36.789 ns/day 0.652 hours/ns 2.129 steps/s 2024-05-19 12:59:11,403 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 324400 64880 69.866 -28463 7657.4 -36120 -36120 7.4773 -10.429 0.64474 6.1507e+05 2024-05-19 12:59:46,075 INFO [main.py:798]
{rank 0/64} MD step = 324500 step time: 00:00:00.373974 Performance: 36.790 ns/day 0.652 hours/ns 2.129 steps/s 2024-05-19 12:59:52,080 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 324500 64900 69.3 -28594 7595.3 -36189 -36189 7.4741 -10.428 0.64693 6.1524e+05 2024-05-19 13:00:27,699 INFO [main.py:798]
{rank 0/64} MD step = 324600 step time: 00:00:00.326961 Performance: 36.792 ns/day 0.652 hours/ns 2.129 steps/s 2024-05-19 13:00:36,570 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 324600 64920 69.862 -28641 7657 -36298 -36298 7.4705 -10.429 0.64859 6.1543e+05 2024-05-19 13:01:11,113 INFO [main.py:798]
{rank 0/64} MD step = 324700 step time: 00:00:00.341473 Performance: 36.792 ns/day 0.652 hours/ns 2.129 steps/s 2024-05-19 13:01:17,134 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 324700 64940 69.565 -28605 7624.4 -36229 -36229 7.4665 -10.429 0.65124 6.1563e+05 2024-05-19 13:01:51,739 INFO [main.py:798]
{rank 0/64} MD step = 324800 step time: 00:00:00.327734 Performance: 36.794 ns/day 0.652 hours/ns 2.129 steps/s 2024-05-19 13:01:59,801 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 324800 64960 69.428 -28453 7609.4 -36062 -36062 7.4626 -10.43 0.6527 6.1587e+05 2024-05-19 13:02:34,320 INFO [main.py:798]
{rank 0/64} MD step = 324900 step time: 00:00:00.327717 Performance: 36.795 ns/day 0.652 hours/ns 2.129 steps/s 2024-05-19 13:02:39,999 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 324900 64980 70.659 -28449 7744.3 -36193 -36193 7.459 -10.43 0.6539 6.1601e+05 2024-05-19 13:03:15,966 INFO [main.py:798]
{rank 0/64} MD step = 325000 step time: 00:00:00.344125 Performance: 36.796 ns/day 0.652 hours/ns 2.129 steps/s 2024-05-19 13:03:23,377 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 325000 65000 70.253 -28403 7699.9 -36103 -36103 7.4561 -10.43 0.6547 6.1621e+05 2024-05-19 13:03:58,416 INFO [main.py:798]
{rank 0/64} MD step = 325100 step time: 00:00:00.352518 Performance: 36.797 ns/day 0.652 hours/ns 2.129 steps/s 2024-05-19 13:04:11,610 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 325100 65020 69.704 -28205 7639.7 -35845 -35845 7.4516 -10.431 0.65649 6.1644e+05 2024-05-19 13:04:46,037 INFO [main.py:798]
{rank 0/64} MD step = 325200 step time: 00:00:00.326220 Performance: 36.797 ns/day 0.652 hours/ns 2.129 steps/s 2024-05-19 13:04:52,663 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 325200 65040 69.8 -28350 7650.2 -36000 -36000 7.447 -10.431 0.65735 6.1662e+05 2024-05-19 13:05:26,979 INFO [main.py:798]
{rank 0/64} MD step = 325300 step time: 00:00:00.341620 Performance: 36.799 ns/day 0.652 hours/ns 2.130 steps/s 2024-05-19 13:05:34,689 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 325300 65060 70.57 -28403 7734.6 -36138 -36138 7.4454 -10.43 0.65885 6.1679e+05 2024-05-19 13:06:10,922 INFO [main.py:798]
{rank 0/64} MD step = 325400 step time: 00:00:00.326537 Performance: 36.799 ns/day 0.652 hours/ns 2.130 steps/s 2024-05-19 13:06:18,353 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 325400 65080 69.646 -28388 7633.3 -36022 -36022 7.4435 -10.43 0.65853 6.1698e+05 2024-05-19 13:06:52,965 INFO [main.py:798]
{rank 0/64} MD step = 325500 step time: 00:00:00.325517 Performance: 36.801 ns/day 0.652 hours/ns 2.130 steps/s 2024-05-19 13:07:05,383 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 325500 65100 69.598 -28492 7628 -36120 -36120 7.4418 -10.43 0.65928 6.1715e+05 2024-05-19 13:07:38,564 INFO [main.py:798]
{rank 0/64} MD step = 325600 step time: 00:00:00.341301 Performance: 36.801 ns/day 0.652 hours/ns 2.130 steps/s 2024-05-19 13:07:44,923 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 325600 65120 70.72 -28288 7751 -36039 -36039 7.4391 -10.43 0.6608 6.1733e+05 2024-05-19 13:08:19,646 INFO [main.py:798]
{rank 0/64} MD step = 325700 step time: 00:00:00.342605 Performance: 36.802 ns/day 0.652 hours/ns 2.130 steps/s 2024-05-19 13:08:24,974 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 325700 65140 69.378 -28417 7603.9 -36021 -36021 7.4365 -10.431 0.66225 6.1752e+05 2024-05-19 13:09:03,814 INFO [main.py:798]
{rank 0/64} MD step = 325800 step time: 00:00:00.331314 Performance: 36.803 ns/day 0.652 hours/ns 2.130 steps/s 2024-05-19 13:09:10,726 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 325800 65160 70.113 -28236 7684.5 -35920 -35920 7.4343 -10.43 0.66316 6.1772e+05 2024-05-19 13:09:45,245 INFO [main.py:798]
{rank 0/64} MD step = 325900 step time: 00:00:00.330409 Performance: 36.804 ns/day 0.652 hours/ns 2.130 steps/s 2024-05-19 13:09:52,299 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 325900 65180 69.425 -28501 7609 -36110 -36110 7.4301 -10.431 0.66518 6.1788e+05 2024-05-19 13:10:26,732 INFO [main.py:798]
{rank 0/64} MD step = 326000 step time: 00:00:00.355278 Performance: 36.806 ns/day 0.652 hours/ns 2.130 steps/s 2024-05-19 13:10:36,934 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 326000 65200 69.696 -28339 7638.7 -35977 -35977 7.4264 -10.432 0.66579 6.1807e+05 2024-05-19 13:11:11,220 INFO [main.py:798]
{rank 0/64} MD step = 326100 step time: 00:00:00.339400 Performance: 36.806 ns/day 0.652 hours/ns 2.130 steps/s 2024-05-19 13:11:23,705 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 326100 65220 70.247 -28336 7699.2 -36035 -36035 7.4243 -10.431 0.66889 6.1822e+05 2024-05-19 13:11:57,048 INFO [main.py:798]
{rank 0/64} MD step = 326200 step time: 00:00:00.348081 Performance: 36.806 ns/day 0.652 hours/ns 2.130 steps/s 2024-05-19 13:12:10,671 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 326200 65240 70.743 -28428 7753.6 -36181 -36181 7.4218 -10.432 0.66952 6.1839e+05 2024-05-19 13:12:44,910 INFO [main.py:798]
{rank 0/64} MD step = 326300 step time: 00:00:00.362179 Performance: 36.806 ns/day 0.652 hours/ns 2.130 steps/s 2024-05-19 13:12:55,511 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 326300 65260 70.311 -28165 7706.2 -35871 -35871 7.4204 -10.432 0.67093 6.1861e+05 2024-05-19 13:13:30,272 INFO [main.py:798]
{rank 0/64} MD step = 326400 step time: 00:00:00.351947 Performance: 36.807 ns/day 0.652 hours/ns 2.130 steps/s 2024-05-19 13:13:40,358 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 326400 65280 70.084 -28278 7681.2 -35959 -35959 7.4164 -10.432 0.67251 6.188e+05 2024-05-19 13:14:14,902 INFO [main.py:798]
{rank 0/64} MD step = 326500 step time: 00:00:00.358890 Performance: 36.807 ns/day 0.652 hours/ns 2.130 steps/s 2024-05-19 13:14:22,425 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 326500 65300 70.59 -28344 7736.7 -36081 -36081 7.4143 -10.433 0.67512 6.1897e+05 2024-05-19 13:14:56,731 INFO [main.py:798]
{rank 0/64} MD step = 326600 step time: 00:00:00.342134 Performance: 36.808 ns/day 0.652 hours/ns 2.130 steps/s 2024-05-19 13:15:03,588 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 326600 65320 71.237 -28135 7807.7 -35943 -35943 7.411 -10.433 0.6761 6.1918e+05 2024-05-19 13:15:37,635 INFO [main.py:798]
{rank 0/64} MD step = 326700 step time: 00:00:00.349936 Performance: 36.810 ns/day 0.652 hours/ns 2.130 steps/s 2024-05-19 13:15:44,598 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 326700 65340 69.808 -28504 7651 -36155 -36155 7.4078 -10.433 0.67699 6.1934e+05 2024-05-19 13:16:19,040 INFO [main.py:798]
{rank 0/64} MD step = 326800 step time: 00:00:00.349219 Performance: 36.811 ns/day 0.652 hours/ns 2.130 steps/s 2024-05-19 13:16:26,038 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 326800 65360 69.018 -28333 7564.5 -35898 -35898 7.4043 -10.431 0.67716 6.1958e+05 2024-05-19 13:17:00,541 INFO [main.py:798]
{rank 0/64} MD step = 326900 step time: 00:00:00.348696 Performance: 36.812 ns/day 0.652 hours/ns 2.130 steps/s 2024-05-19 13:17:12,024 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 326900 65380 70.569 -28280 7734.4 -36015 -36015 7.4008 -10.431 0.67989 6.1975e+05 2024-05-19 13:17:47,021 INFO [main.py:798]
{rank 0/64} MD step = 327000 step time: 00:00:00.369706 Performance: 36.813 ns/day 0.652 hours/ns 2.130 steps/s 2024-05-19 13:17:54,790 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 327000 65400 68.98 -28558 7560.3 -36118 -36118 7.3981 -10.431 0.68058 6.1992e+05 2024-05-19 13:18:29,347 INFO [main.py:798]
{rank 0/64} MD step = 327100 step time: 00:00:00.351807 Performance: 36.814 ns/day 0.652 hours/ns 2.130 steps/s 2024-05-19 13:18:37,711 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 327100 65420 70.197 -28284 7693.7 -35977 -35977 7.3959 -10.432 0.68073 6.2016e+05 2024-05-19 13:19:12,032 INFO [main.py:798]
{rank 0/64} MD step = 327200 step time: 00:00:00.357048 Performance: 36.815 ns/day 0.652 hours/ns 2.130 steps/s 2024-05-19 13:19:19,648 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 327200 65440 69.493 -28362 7616.5 -35978 -35978 7.3936 -10.431 0.68272 6.2036e+05 2024-05-19 13:19:53,722 INFO [main.py:798]
{rank 0/64} MD step = 327300 step time: 00:00:00.348864 Performance: 36.816 ns/day 0.652 hours/ns 2.131 steps/s 2024-05-19 13:20:01,379 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 327300 65460 69.658 -28297 7634.7 -35932 -35932 7.3903 -10.431 0.68421 6.2058e+05 2024-05-19 13:20:35,796 INFO [main.py:798]
{rank 0/64} MD step = 327400 step time: 00:00:00.346961 Performance: 36.817 ns/day 0.652 hours/ns 2.131 steps/s 2024-05-19 13:20:44,108 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 327400 65480 70.135 -28168 7686.9 -35855 -35855 7.3879 -10.433 0.68503 6.2076e+05 2024-05-19 13:21:18,789 INFO [main.py:798]
{rank 0/64} MD step = 327500 step time: 00:00:00.348659 Performance: 36.818 ns/day 0.652 hours/ns 2.131 steps/s 2024-05-19 13:21:41,052 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 327500 65500 69.666 -28411 7635.5 -36047 -36047 7.3862 -10.432 0.68484 6.2096e+05 2024-05-19 13:22:16,117 INFO [main.py:798]
{rank 0/64} MD step = 327600 step time: 00:00:00.351490 Performance: 36.816 ns/day 0.652 hours/ns 2.131 steps/s 2024-05-19 13:22:23,007 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 327600 65520 69.38 -28237 7604.1 -35841 -35841 7.3828 -10.433 0.68785 6.2119e+05 2024-05-19 13:22:57,172 INFO [main.py:798]
{rank 0/64} MD step = 327700 step time: 00:00:00.357977 Performance: 36.817 ns/day 0.652 hours/ns 2.131 steps/s 2024-05-19 13:23:07,575 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 327700 65540 69.754 -28459 7645.1 -36104 -36104 7.3797 -10.434 0.68831 6.2137e+05 2024-05-19 13:23:41,499 INFO [main.py:798]
{rank 0/64} MD step = 327800 step time: 00:00:00.346882 Performance: 36.818 ns/day 0.652 hours/ns 2.131 steps/s 2024-05-19 13:23:51,227 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 327800 65560 70.02 -28432 7674.3 -36106 -36106 7.3759 -10.435 0.69052 6.2156e+05 2024-05-19 13:24:26,111 INFO [main.py:798]
{rank 0/64} MD step = 327900 step time: 00:00:00.346283 Performance: 36.818 ns/day 0.652 hours/ns 2.131 steps/s 2024-05-19 13:24:35,987 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 327900 65580 68.887 -28480 7550.1 -36030 -36030 7.373 -10.434 0.6925 6.2178e+05 2024-05-19 13:25:10,360 INFO [main.py:798]
{rank 0/64} MD step = 328000 step time: 00:00:00.366974 Performance: 36.819 ns/day 0.652 hours/ns 2.131 steps/s 2024-05-19 13:25:16,196 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328000 65600 70.174 -28476 7691.1 -36167 -36167 7.3691 -10.435 0.69486 6.2192e+05 2024-05-19 13:25:49,634 INFO [main.py:798]
{rank 0/64} MD step = 328100 step time: 00:00:00.326561 Performance: 36.821 ns/day 0.652 hours/ns 2.131 steps/s 2024-05-19 13:25:56,283 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328100 65620 69.829 -28394 7653.4 -36048 -36048 7.3644 -10.438 0.69787 6.221e+05 2024-05-19 13:26:31,611 INFO [main.py:798]
{rank 0/64} MD step = 328200 step time: 00:00:00.368884 Performance: 36.822 ns/day 0.652 hours/ns 2.131 steps/s 2024-05-19 13:26:38,472 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328200 65640 69.676 -28357 7636.6 -35993 -35993 7.3617 -10.436 0.69812 6.2227e+05 2024-05-19 13:27:12,804 INFO [main.py:798]
{rank 0/64} MD step = 328300 step time: 00:00:00.352758 Performance: 36.823 ns/day 0.652 hours/ns 2.131 steps/s 2024-05-19 13:27:19,386 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328300 65660 69.134 -28602 7577.2 -36179 -36179 7.3591 -10.436 0.69946 6.2246e+05 2024-05-19 13:27:53,504 INFO [main.py:798]
{rank 0/64} MD step = 328400 step time: 00:00:00.349779 Performance: 36.825 ns/day 0.652 hours/ns 2.131 steps/s 2024-05-19 13:28:01,751 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328400 65680 69.957 -28376 7667.4 -36044 -36044 7.3567 -10.435 0.7004 6.2266e+05 2024-05-19 13:28:35,072 INFO [main.py:798]
{rank 0/64} MD step = 328500 step time: 00:00:00.359907 Performance: 36.826 ns/day 0.652 hours/ns 2.131 steps/s 2024-05-19 13:28:42,426 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328500 65700 70.339 -28432 7709.2 -36142 -36142 7.352 -10.434 0.70025 6.2284e+05 2024-05-19 13:29:16,175 INFO [main.py:798]
{rank 0/64} MD step = 328600 step time: 00:00:00.344866 Performance: 36.827 ns/day 0.652 hours/ns 2.131 steps/s 2024-05-19 13:29:22,610 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328600 65720 69.997 -28372 7671.7 -36044 -36044 7.3471 -10.435 0.69953 6.2305e+05 2024-05-19 13:29:56,890 INFO [main.py:798]
{rank 0/64} MD step = 328700 step time: 00:00:00.350558 Performance: 36.829 ns/day 0.652 hours/ns 2.131 steps/s 2024-05-19 13:30:06,386 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328700 65740 70.451 -28445 7721.5 -36167 -36167 7.3428 -10.434 0.70034 6.2322e+05 2024-05-19 13:30:40,593 INFO [main.py:798]
{rank 0/64} MD step = 328800 step time: 00:00:00.346845 Performance: 36.830 ns/day 0.652 hours/ns 2.131 steps/s 2024-05-19 13:30:48,335 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328800 65760 69.536 -28521 7621.3 -36143 -36143 7.3402 -10.434 0.70252 6.234e+05 2024-05-19 13:31:22,938 INFO [main.py:798]
{rank 0/64} MD step = 328900 step time: 00:00:00.355636 Performance: 36.831 ns/day 0.652 hours/ns 2.131 steps/s 2024-05-19 13:31:38,675 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328900 65780 69.548 -28441 7622.5 -36064 -36064 7.3365 -10.435 0.7049 6.2363e+05 2024-05-19 13:32:12,472 INFO [main.py:798]
{rank 0/64} MD step = 329000 step time: 00:00:00.349073 Performance: 36.830 ns/day 0.652 hours/ns 2.131 steps/s 2024-05-19 13:32:21,707 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329000 65800 69.365 -28261 7602.5 -35864 -35864 7.3315 -10.434 0.70495 6.2381e+05 2024-05-19 13:32:56,102 INFO [main.py:798]
{rank 0/64} MD step = 329100 step time: 00:00:00.337130 Performance: 36.831 ns/day 0.652 hours/ns 2.131 steps/s 2024-05-19 13:33:04,173 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329100 65820 69.824 -28341 7652.8 -35994 -35994 7.3284 -10.433 0.70613 6.2396e+05 2024-05-19 13:33:38,311 INFO [main.py:798]
{rank 0/64} MD step = 329200 step time: 00:00:00.350949 Performance: 36.832 ns/day 0.652 hours/ns 2.131 steps/s 2024-05-19 13:33:51,541 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329200 65840 70.744 -28338 7753.7 -36092 -36092 7.3256 -10.434 0.70836 6.2415e+05 2024-05-19 13:34:25,304 INFO [main.py:798]
{rank 0/64} MD step = 329300 step time: 00:00:00.348448 Performance: 36.832 ns/day 0.652 hours/ns 2.131 steps/s 2024-05-19 13:34:36,436 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329300 65860 69.282 -28608 7593.4 -36202 -36202 7.3213 -10.435 0.70959 6.2434e+05 2024-05-19 13:35:10,221 INFO [main.py:798]
{rank 0/64} MD step = 329400 step time: 00:00:00.349218 Performance: 36.832 ns/day 0.652 hours/ns 2.132 steps/s 2024-05-19 13:35:24,837 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329400 65880 69.394 -28532 7605.6 -36137 -36137 7.3169 -10.435 0.71048 6.2451e+05 2024-05-19 13:35:58,858 INFO [main.py:798]
{rank 0/64} MD step = 329500 step time: 00:00:00.350126 Performance: 36.832 ns/day 0.652 hours/ns 2.131 steps/s 2024-05-19 13:36:08,026 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329500 65900 69.709 -28302 7640.2 -35942 -35942 7.3132 -10.436 0.71305 6.247e+05 2024-05-19 13:36:43,448 INFO [main.py:798]
{rank 0/64} MD step = 329600 step time: 00:00:00.366272 Performance: 36.833 ns/day 0.652 hours/ns 2.132 steps/s 2024-05-19 13:36:51,269 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329600 65920 70.211 -28327 7695.2 -36022 -36022 7.3111 -10.434 0.71295 6.249e+05 2024-05-19 13:37:25,401 INFO [main.py:798]
{rank 0/64} MD step = 329700 step time: 00:00:00.350337 Performance: 36.834 ns/day 0.652 hours/ns 2.132 steps/s 2024-05-19 13:37:33,212 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329700 65940 69.868 -28476 7657.6 -36133 -36133 7.3081 -10.433 0.71593 6.2506e+05 2024-05-19 13:38:07,775 INFO [main.py:798]
{rank 0/64} MD step = 329800 step time: 00:00:00.356325 Performance: 36.835 ns/day 0.652 hours/ns 2.132 steps/s 2024-05-19 13:38:15,498 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329800 65960 70.185 -28211 7692.4 -35903 -35903 7.3062 -10.435 0.71798 6.2526e+05 2024-05-19 13:38:49,884 INFO [main.py:798]
{rank 0/64} MD step = 329900 step time: 00:00:00.357204 Performance: 36.836 ns/day 0.652 hours/ns 2.132 steps/s 2024-05-19 13:38:57,084 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329900 65980 71.424 -28271 7828.2 -36099 -36099 7.3047 -10.435 0.71833 6.2544e+05 2024-05-19 13:39:32,070 INFO [main.py:798]
{rank 0/64} MD step = 330000 step time: 00:00:00.357656 Performance: 36.837 ns/day 0.652 hours/ns 2.132 steps/s 2024-05-19 13:39:39,898 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 330000 66000 70.311 -28583 7706.2 -36289 -36289 7.3028 -10.436 0.71882 6.2558e+05 2024-05-19 13:40:14,299 INFO [main.py:798]
{rank 0/64} MD step = 330100 step time: 00:00:00.357610 Performance: 36.838 ns/day 0.651 hours/ns 2.132 steps/s 2024-05-19 13:40:28,608 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 330100 66020 69.876 -28465 7658.5 -36124 -36124 7.2992 -10.436 0.72055 6.2579e+05 2024-05-19 13:41:02,211 INFO [main.py:798]
{rank 0/64} MD step = 330200 step time: 00:00:00.329887 Performance: 36.838 ns/day 0.652 hours/ns 2.132 steps/s 2024-05-19 13:41:15,466 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 330200 66040 68.273 -28654 7482.9 -36137 -36137 7.2961 -10.434 0.72087 6.2595e+05 2024-05-19 13:41:50,144 INFO [main.py:798]
{rank 0/64} MD step = 330300 step time: 00:00:00.332315 Performance: 36.838 ns/day 0.652 hours/ns 2.132 steps/s 2024-05-19 13:41:56,056 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 330300 66060 70.027 -28277 7675 -35952 -35952 7.2948 -10.432 0.72195 6.2617e+05 2024-05-19 13:42:30,919 INFO [main.py:798]
{rank 0/64} MD step = 330400 step time: 00:00:00.342075 Performance: 36.839 ns/day 0.651 hours/ns 2.132 steps/s 2024-05-19 13:42:38,792 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 330400 66080 69.396 -28636 7605.9 -36242 -36242 7.2909 -10.433 0.72172 6.2633e+05 2024-05-19 13:43:14,029 INFO [main.py:798]
{rank 0/64} MD step = 330500 step time: 00:00:00.353906 Performance: 36.840 ns/day 0.651 hours/ns 2.132 steps/s 2024-05-19 13:43:25,638 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 330500 66100 70.691 -28393 7747.8 -36141 -36141 7.2879 -10.433 0.72316 6.2655e+05 2024-05-19 13:44:00,725 INFO [main.py:798]
{rank 0/64} MD step = 330600 step time: 00:00:00.339490 Performance: 36.840 ns/day 0.651 hours/ns 2.132 steps/s 2024-05-19 13:44:09,139 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 330600 66120 70.459 -28429 7722.4 -36151 -36151 7.2846 -10.432 0.7248 6.2676e+05 2024-05-19 13:44:43,459 INFO [main.py:798]
{rank 0/64} MD step = 330700 step time: 00:00:00.347776 Performance: 36.841 ns/day 0.651 hours/ns 2.132 steps/s 2024-05-19 13:44:51,643 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 330700 66140 69.83 -28392 7653.5 -36046 -36046 7.2793 -10.432 0.72709 6.2697e+05 2024-05-19 13:45:26,440 INFO [main.py:798]
{rank 0/64} MD step = 330800 step time: 00:00:00.349302 Performance: 36.842 ns/day 0.651 hours/ns 2.132 steps/s 2024-05-19 13:45:36,158 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 330800 66160 70.114 -28235 7684.5 -35920 -35920 7.2767 -10.432 0.72865 6.272e+05 2024-05-19 13:46:13,096 INFO [main.py:798]
{rank 0/64} MD step = 330900 step time: 00:00:00.370858 Performance: 36.842 ns/day 0.651 hours/ns 2.132 steps/s 2024-05-19 13:46:21,873 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 330900 66180 69.834 -28464 7653.9 -36118 -36118 7.2738 -10.433 0.72911 6.2735e+05 2024-05-19 13:46:57,959 INFO [main.py:798]
{rank 0/64} MD step = 331000 step time: 00:00:00.371364 Performance: 36.843 ns/day 0.651 hours/ns 2.132 steps/s 2024-05-19 13:47:03,989 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 331000 66200 69.382 -28714 7604.4 -36319 -36319 7.272 -10.433 0.72881 6.2754e+05 2024-05-19 13:47:40,604 INFO [main.py:798]
{rank 0/64} MD step = 331100 step time: 00:00:00.350616 Performance: 36.844 ns/day 0.651 hours/ns 2.132 steps/s 2024-05-19 13:47:51,730 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 331100 66220 69.401 -28552 7606.4 -36159 -36159 7.2689 -10.434 0.73051 6.2777e+05 2024-05-19 13:48:25,982 INFO [main.py:798]
{rank 0/64} MD step = 331200 step time: 00:00:00.326381 Performance: 36.844 ns/day 0.651 hours/ns 2.132 steps/s 2024-05-19 13:48:34,507 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 331200 66240 69.858 -28529 7656.5 -36186 -36186 7.2662 -10.434 0.7325 6.2795e+05 2024-05-19 13:49:09,750 INFO [main.py:798]
{rank 0/64} MD step = 331300 step time: 00:00:00.363601 Performance: 36.845 ns/day 0.651 hours/ns 2.132 steps/s 2024-05-19 13:49:23,641 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 331300 66260 70.646 -28407 7742.9 -36150 -36150 7.2629 -10.434 0.73353 6.2815e+05 2024-05-19 13:49:56,244 INFO [main.py:798]
{rank 0/64} MD step = 331400 step time: 00:00:00.325446 Performance: 36.845 ns/day 0.651 hours/ns 2.132 steps/s 2024-05-19 13:50:09,855 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 331400 66280 70.596 -28435 7737.4 -36172 -36172 7.2589 -10.434 0.73532 6.2833e+05 2024-05-19 13:50:46,210 INFO [main.py:798]
{rank 0/64} MD step = 331500 step time: 00:00:00.369368 Performance: 36.844 ns/day 0.651 hours/ns 2.132 steps/s 2024-05-19 13:50:54,862 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 331500 66300 70.109 -28458 7684.1 -36142 -36142 7.2564 -10.433 0.7368 6.2852e+05 2024-05-19 13:51:28,584 INFO [main.py:798]
{rank 0/64} MD step = 331600 step time: 00:00:00.336324 Performance: 36.845 ns/day 0.651 hours/ns 2.132 steps/s 2024-05-19 13:51:35,174 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 331600 66320 69.368 -28689 7602.8 -36292 -36292 7.2533 -10.432 0.73776 6.2867e+05 2024-05-19 13:52:09,995 INFO [main.py:798]
{rank 0/64} MD step = 331700 step time: 00:00:00.351845 Performance: 36.846 ns/day 0.651 hours/ns 2.132 steps/s 2024-05-19 13:52:16,250 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 331700 66340 70.066 -28355 7679.3 -36034 -36034 7.2496 -10.432 0.73747 6.2891e+05 2024-05-19 13:52:51,976 INFO [main.py:798]
{rank 0/64} MD step = 331800 step time: 00:00:00.353166 Performance: 36.848 ns/day 0.651 hours/ns 2.132 steps/s 2024-05-19 13:53:00,254 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 331800 66360 70.737 -28414 7752.9 -36167 -36167 7.2453 -10.432 0.73859 6.2908e+05 2024-05-19 13:53:34,702 INFO [main.py:798]
{rank 0/64} MD step = 331900 step time: 00:00:00.357701 Performance: 36.849 ns/day 0.651 hours/ns 2.132 steps/s 2024-05-19 13:53:41,202 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 331900 66380 70.538 -28281 7731.1 -36012 -36012 7.2431 -10.433 0.73817 6.2925e+05 2024-05-19 13:54:16,949 INFO [main.py:798]
{rank 0/64} MD step = 332000 step time: 00:00:00.349282 Performance: 36.850 ns/day 0.651 hours/ns 2.133 steps/s 2024-05-19 13:54:25,331 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332000 66400 70.106 -28491 7683.7 -36175 -36175 7.2402 -10.432 0.7397 6.294e+05 2024-05-19 13:54:59,934 INFO [main.py:798]
{rank 0/64} MD step = 332100 step time: 00:00:00.353734 Performance: 36.851 ns/day 0.651 hours/ns 2.133 steps/s 2024-05-19 13:55:09,915 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332100 66420 70.369 -28420 7712.6 -36132 -36132 7.2367 -10.434 0.74284 6.2957e+05 2024-05-19 13:55:45,122 INFO [main.py:798]
{rank 0/64} MD step = 332200 step time: 00:00:00.380203 Performance: 36.851 ns/day 0.651 hours/ns 2.133 steps/s 2024-05-19 13:55:53,078 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332200 66440 68.903 -28735 7551.9 -36287 -36287 7.2349 -10.434 0.74436 6.2974e+05 2024-05-19 13:56:29,037 INFO [main.py:798]
{rank 0/64} MD step = 332300 step time: 00:00:00.370400 Performance: 36.852 ns/day 0.651 hours/ns 2.133 steps/s 2024-05-19 13:56:41,010 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332300 66460 70.742 -28323 7753.4 -36077 -36077 7.2313 -10.432 0.74572 6.2995e+05 2024-05-19 13:57:15,350 INFO [main.py:798]
{rank 0/64} MD step = 332400 step time: 00:00:00.352067 Performance: 36.852 ns/day 0.651 hours/ns 2.133 steps/s 2024-05-19 13:57:21,460 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332400 66480 69.304 -28504 7595.8 -36100 -36100 7.2288 -10.433 0.74793 6.3017e+05 2024-05-19 13:57:55,594 INFO [main.py:798]
{rank 0/64} MD step = 332500 step time: 00:00:00.350755 Performance: 36.853 ns/day 0.651 hours/ns 2.133 steps/s 2024-05-19 13:58:04,929 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332500 66500 69.969 -28394 7668.7 -36063 -36063 7.2258 -10.432 0.75094 6.3033e+05 2024-05-19 13:58:38,880 INFO [main.py:798]
{rank 0/64} MD step = 332600 step time: 00:00:00.344688 Performance: 36.854 ns/day 0.651 hours/ns 2.133 steps/s 2024-05-19 13:58:48,086 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332600 66520 70.928 -28208 7773.8 -35982 -35982 7.2214 -10.432 0.75259 6.3052e+05 2024-05-19 13:59:20,719 INFO [main.py:798]
{rank 0/64} MD step = 332700 step time: 00:00:00.326405 Performance: 36.856 ns/day 0.651 hours/ns 2.133 steps/s 2024-05-19 13:59:29,198 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332700 66540 70.272 -28437 7701.9 -36139 -36139 7.2193 -10.432 0.75296 6.3069e+05 2024-05-19 14:00:04,859 INFO [main.py:798]
{rank 0/64} MD step = 332800 step time: 00:00:00.378668 Performance: 36.856 ns/day 0.651 hours/ns 2.133 steps/s 2024-05-19 14:00:13,394 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332800 66560 69.932 -28443 7664.7 -36107 -36107 7.216 -10.433 0.75399 6.3088e+05 2024-05-19 14:00:49,782 INFO [main.py:798]
{rank 0/64} MD step = 332900 step time: 00:00:00.369860 Performance: 36.857 ns/day 0.651 hours/ns 2.133 steps/s 2024-05-19 14:01:00,292 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332900 66580 69.811 -28557 7651.4 -36208 -36208 7.2137 -10.432 0.7557 6.3108e+05 2024-05-19 14:01:34,187 INFO [main.py:798]
{rank 0/64} MD step = 333000 step time: 00:00:00.351968 Performance: 36.857 ns/day 0.651 hours/ns 2.133 steps/s 2024-05-19 14:01:41,107 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333000 66600 69.6 -28429 7628.3 -36057 -36057 7.2111 -10.431 0.75559 6.313e+05 2024-05-19 14:02:15,368 INFO [main.py:798]
{rank 0/64} MD step = 333100 step time: 00:00:00.352196 Performance: 36.859 ns/day 0.651 hours/ns 2.133 steps/s 2024-05-19 14:02:26,886 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333100 66620 69.713 -28414 7640.6 -36054 -36054 7.2071 -10.431 0.75867 6.3151e+05 2024-05-19 14:02:59,437 INFO [main.py:798]
{rank 0/64} MD step = 333200 step time: 00:00:00.327112 Performance: 36.859 ns/day 0.651 hours/ns 2.133 steps/s 2024-05-19 14:03:07,585 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333200 66640 70.104 -28509 7683.4 -36193 -36193 7.2029 -10.431 0.75981 6.317e+05 2024-05-19 14:03:46,466 INFO [main.py:798]
{rank 0/64} MD step = 333300 step time: 00:00:00.330371 Performance: 36.859 ns/day 0.651 hours/ns 2.133 steps/s 2024-05-19 14:03:53,593 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333300 66660 70.192 -28524 7693.1 -36217 -36217 7.1993 -10.43 0.76148 6.3188e+05 2024-05-19 14:04:27,313 INFO [main.py:798]
{rank 0/64} MD step = 333400 step time: 00:00:00.335137 Performance: 36.861 ns/day 0.651 hours/ns 2.133 steps/s 2024-05-19 14:04:35,185 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333400 66680 69.63 -28566 7631.5 -36198 -36198 7.1947 -10.429 0.76256 6.3207e+05 2024-05-19 14:05:09,669 INFO [main.py:798]
{rank 0/64} MD step = 333500 step time: 00:00:00.353351 Performance: 36.862 ns/day 0.651 hours/ns 2.133 steps/s 2024-05-19 14:05:15,972 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333500 66700 69.391 -28597 7605.3 -36202 -36202 7.19 -10.429 0.76377 6.3227e+05 2024-05-19 14:05:50,318 INFO [main.py:798]
{rank 0/64} MD step = 333600 step time: 00:00:00.344702 Performance: 36.863 ns/day 0.651 hours/ns 2.133 steps/s 2024-05-19 14:05:56,329 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333600 66720 70.362 -28392 7711.8 -36104 -36104 7.1858 -10.427 0.7652 6.3246e+05 2024-05-19 14:06:31,192 INFO [main.py:798]
{rank 0/64} MD step = 333700 step time: 00:00:00.360223 Performance: 36.865 ns/day 0.651 hours/ns 2.133 steps/s 2024-05-19 14:06:36,025 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333700 66740 70.665 -28290 7744.9 -36035 -36035 7.1823 -10.427 0.76492 6.3265e+05 2024-05-19 14:07:11,921 INFO [main.py:798]
{rank 0/64} MD step = 333800 step time: 00:00:00.352701 Performance: 36.866 ns/day 0.651 hours/ns 2.133 steps/s 2024-05-19 14:07:19,581 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333800 66760 70.17 -28464 7690.7 -36154 -36154 7.1785 -10.428 0.76658 6.3283e+05 2024-05-19 14:07:55,262 INFO [main.py:798]
{rank 0/64} MD step = 333900 step time: 00:00:00.377983 Performance: 36.867 ns/day 0.651 hours/ns 2.133 steps/s 2024-05-19 14:08:03,395 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333900 66780 69.099 -28467 7573.3 -36040 -36040 7.1753 -10.427 0.7681 6.3303e+05 2024-05-19 14:08:37,613 INFO [main.py:798]
{rank 0/64} MD step = 334000 step time: 00:00:00.349542 Performance: 36.868 ns/day 0.651 hours/ns 2.134 steps/s 2024-05-19 14:08:49,292 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334000 66800 69.727 -28717 7642.2 -36359 -36359 7.1708 -10.427 0.76839 6.332e+05 2024-05-19 14:09:22,880 INFO [main.py:798]
{rank 0/64} MD step = 334100 step time: 00:00:00.351987 Performance: 36.868 ns/day 0.651 hours/ns 2.134 steps/s 2024-05-19 14:09:35,355 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334100 66820 69.986 -28537 7670.6 -36208 -36208 7.1684 -10.426 0.77008 6.3341e+05 2024-05-19 14:10:10,103 INFO [main.py:798]
{rank 0/64} MD step = 334200 step time: 00:00:00.336872 Performance: 36.868 ns/day 0.651 hours/ns 2.134 steps/s 2024-05-19 14:10:19,974 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334200 66840 69.247 -28556 7589.6 -36146 -36146 7.1645 -10.427 0.77358 6.3361e+05 2024-05-19 14:10:54,115 INFO [main.py:798]
{rank 0/64} MD step = 334300 step time: 00:00:00.352071 Performance: 36.869 ns/day 0.651 hours/ns 2.134 steps/s 2024-05-19 14:11:03,418 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334300 66860 70.056 -28349 7678.2 -36028 -36028 7.1611 -10.427 0.77559 6.3379e+05 2024-05-19 14:11:40,340 INFO [main.py:798]
{rank 0/64} MD step = 334400 step time: 00:00:00.375608 Performance: 36.869 ns/day 0.651 hours/ns 2.134 steps/s 2024-05-19 14:11:48,083 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334400 66880 69.979 -28435 7669.8 -36104 -36104 7.1562 -10.427 0.77608 6.3395e+05 2024-05-19 14:12:22,675 INFO [main.py:798]
{rank 0/64} MD step = 334500 step time: 00:00:00.340501 Performance: 36.870 ns/day 0.651 hours/ns 2.134 steps/s 2024-05-19 14:12:30,430 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334500 66900 70.01 -28615 7673.2 -36288 -36288 7.152 -10.426 0.77818 6.3414e+05 2024-05-19 14:13:04,959 INFO [main.py:798]
{rank 0/64} MD step = 334600 step time: 00:00:00.362492 Performance: 36.871 ns/day 0.651 hours/ns 2.134 steps/s 2024-05-19 14:13:10,938 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334600 66920 70.81 -28358 7760.9 -36119 -36119 7.1498 -10.426 0.77938 6.3436e+05 2024-05-19 14:13:45,350 INFO [main.py:798]
{rank 0/64} MD step = 334700 step time: 00:00:00.337383 Performance: 36.873 ns/day 0.651 hours/ns 2.134 steps/s 2024-05-19 14:13:54,413 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334700 66940 69.358 -28527 7601.8 -36128 -36128 7.1457 -10.428 0.78004 6.3452e+05 2024-05-19 14:14:27,299 INFO [main.py:798]
{rank 0/64} MD step = 334800 step time: 00:00:00.353844 Performance: 36.874 ns/day 0.651 hours/ns 2.134 steps/s 2024-05-19 14:14:34,303 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334800 66960 70.334 -28372 7708.7 -36080 -36080 7.143 -10.428 0.78189 6.3469e+05 2024-05-19 14:15:08,198 INFO [main.py:798]
{rank 0/64} MD step = 334900 step time: 00:00:00.330823 Performance: 36.875 ns/day 0.651 hours/ns 2.134 steps/s 2024-05-19 14:15:20,140 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334900 66980 69.826 -28382 7653 -36035 -36035 7.141 -10.427 0.78477 6.3486e+05 2024-05-19 14:15:54,168 INFO [main.py:798]
{rank 0/64} MD step = 335000 step time: 00:00:00.327599 Performance: 36.875 ns/day 0.651 hours/ns 2.134 steps/s 2024-05-19 14:16:01,993 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335000 67000 70.665 -28472 7745 -36217 -36217 7.1372 -10.427 0.78706 6.3499e+05 2024-05-19 14:16:36,326 INFO [main.py:798]
{rank 0/64} MD step = 335100 step time: 00:00:00.351508 Performance: 36.877 ns/day 0.651 hours/ns 2.134 steps/s 2024-05-19 14:16:45,896 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335100 67020 68.532 -28757 7511.2 -36269 -36269 7.1333 -10.427 0.78959 6.3521e+05 2024-05-19 14:17:20,590 INFO [main.py:798]
{rank 0/64} MD step = 335200 step time: 00:00:00.349913 Performance: 36.877 ns/day 0.651 hours/ns 2.134 steps/s 2024-05-19 14:17:28,317 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335200 67040 70.078 -28449 7680.7 -36130 -36130 7.1305 -10.427 0.78945 6.3541e+05 2024-05-19 14:18:02,614 INFO [main.py:798]
{rank 0/64} MD step = 335300 step time: 00:00:00.351610 Performance: 36.878 ns/day 0.651 hours/ns 2.134 steps/s 2024-05-19 14:18:08,886 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335300 67060 70.228 -28428 7697 -36125 -36125 7.1268 -10.427 0.78999 6.3561e+05 2024-05-19 14:18:43,685 INFO [main.py:798]
{rank 0/64} MD step = 335400 step time: 00:00:00.357305 Performance: 36.880 ns/day 0.651 hours/ns 2.134 steps/s 2024-05-19 14:18:49,604 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335400 67080 69.46 -28464 7612.9 -36077 -36077 7.1249 -10.427 0.79048 6.358e+05 2024-05-19 14:19:23,873 INFO [main.py:798]
{rank 0/64} MD step = 335500 step time: 00:00:00.349062 Performance: 36.881 ns/day 0.651 hours/ns 2.134 steps/s 2024-05-19 14:19:33,327 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335500 67100 69.368 -28492 7602.8 -36095 -36095 7.121 -10.427 0.79239 6.3598e+05 2024-05-19 14:20:08,131 INFO [main.py:798]
{rank 0/64} MD step = 335600 step time: 00:00:00.355025 Performance: 36.882 ns/day 0.651 hours/ns 2.134 steps/s 2024-05-19 14:20:17,150 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335600 67120 70.354 -28456 7710.9 -36167 -36167 7.1162 -10.428 0.79464 6.3619e+05 2024-05-19 14:20:51,934 INFO [main.py:798]
{rank 0/64} MD step = 335700 step time: 00:00:00.351014 Performance: 36.883 ns/day 0.651 hours/ns 2.134 steps/s 2024-05-19 14:20:58,320 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335700 67140 69.689 -28585 7638 -36223 -36223 7.1137 -10.427 0.79521 6.3637e+05 2024-05-19 14:21:33,449 INFO [main.py:798]
{rank 0/64} MD step = 335800 step time: 00:00:00.359189 Performance: 36.884 ns/day 0.651 hours/ns 2.134 steps/s 2024-05-19 14:21:40,791 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335800 67160 70.23 -28391 7697.3 -36088 -36088 7.1116 -10.428 0.7979 6.3658e+05 2024-05-19 14:22:15,630 INFO [main.py:798]
{rank 0/64} MD step = 335900 step time: 00:00:00.357583 Performance: 36.885 ns/day 0.651 hours/ns 2.135 steps/s 2024-05-19 14:22:22,256 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335900 67180 68.714 -28500 7531.2 -36031 -36031 7.1084 -10.428 0.80109 6.3674e+05 2024-05-19 14:22:56,849 INFO [main.py:798]
{rank 0/64} MD step = 336000 step time: 00:00:00.356506 Performance: 36.886 ns/day 0.651 hours/ns 2.135 steps/s 2024-05-19 14:23:03,993 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 336000 67200 69.48 -28405 7615.1 -36020 -36020 7.1062 -10.428 0.80327 6.369e+05 2024-05-19 14:23:37,810 INFO [main.py:798]
{rank 0/64} MD step = 336100 step time: 00:00:00.341692 Performance: 36.888 ns/day 0.651 hours/ns 2.135 steps/s 2024-05-19 14:23:47,768 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 336100 67220 69.262 -28374 7591.3 -35965 -35965 7.1049 -10.43 0.80305 6.3712e+05 2024-05-19 14:24:21,332 INFO [main.py:798]
{rank 0/64} MD step = 336200 step time: 00:00:00.337643 Performance: 36.888 ns/day 0.651 hours/ns 2.135 steps/s 2024-05-19 14:24:31,344 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 336200 67240 68.936 -28517 7555.5 -36073 -36073 7.1028 -10.43 0.80485 6.3729e+05 2024-05-19 14:25:05,461 INFO [main.py:798]
{rank 0/64} MD step = 336300 step time: 00:00:00.344158 Performance: 36.889 ns/day 0.651 hours/ns 2.135 steps/s 2024-05-19 14:25:13,488 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 336300 67260 70.575 -28467 7735.2 -36202 -36202 7.0995 -10.43 0.80625 6.3745e+05 2024-05-19 14:25:49,640 INFO [main.py:798]
{rank 0/64} MD step = 336400 step time: 00:00:00.368910 Performance: 36.890 ns/day 0.651 hours/ns 2.135 steps/s 2024-05-19 14:25:55,099 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 336400 67280 70.668 -28273 7745.2 -36019 -36019 7.0961 -10.429 0.80705 6.3769e+05 2024-05-19 14:26:31,617 INFO [main.py:798]
{rank 0/64} MD step = 336500 step time: 00:00:00.348926 Performance: 36.891 ns/day 0.651 hours/ns 2.135 steps/s 2024-05-19 14:26:40,228 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 336500 67300 69.231 -28368 7587.8 -35956 -35956 7.093 -10.428 0.80731 6.379e+05 2024-05-19 14:27:14,201 INFO [main.py:798]
{rank 0/64} MD step = 336600 step time: 00:00:00.335605 Performance: 36.892 ns/day 0.651 hours/ns 2.135 steps/s 2024-05-19 14:27:25,214 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 336600 67320 69.894 -28279 7660.5 -35940 -35940 7.0913 -10.427 0.80763 6.3809e+05 2024-05-19 14:27:58,298 INFO [main.py:798]
{rank 0/64} MD step = 336700 step time: 00:00:00.336827 Performance: 36.892 ns/day 0.651 hours/ns 2.135 steps/s 2024-05-19 14:28:04,119 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 336700 67340 69.236 -28696 7588.4 -36284 -36284 7.0874 -10.425 0.80797 6.3822e+05 2024-05-19 14:28:40,008 INFO [main.py:798]
{rank 0/64} MD step = 336800 step time: 00:00:00.338437 Performance: 36.894 ns/day 0.651 hours/ns 2.135 steps/s 2024-05-19 14:28:48,235 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 336800 67360 69.846 -28570 7655.3 -36226 -36226 7.0832 -10.425 0.80936 6.3845e+05 2024-05-19 14:29:23,777 INFO [main.py:798]
{rank 0/64} MD step = 336900 step time: 00:00:00.377198 Performance: 36.894 ns/day 0.651 hours/ns 2.135 steps/s 2024-05-19 14:29:34,132 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 336900 67380 69.775 -28434 7647.4 -36082 -36082 7.0794 -10.425 0.80919 6.3863e+05 2024-05-19 14:30:07,865 INFO [main.py:798]
{rank 0/64} MD step = 337000 step time: 00:00:00.343047 Performance: 36.895 ns/day 0.650 hours/ns 2.135 steps/s 2024-05-19 14:30:13,561 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 337000 67400 69.459 -28486 7612.8 -36099 -36099 7.0758 -10.426 0.81075 6.3882e+05 2024-05-19 14:30:47,516 INFO [main.py:798]
{rank 0/64} MD step = 337100 step time: 00:00:00.341459 Performance: 36.897 ns/day 0.650 hours/ns 2.135 steps/s 2024-05-19 14:30:53,503 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 337100 67420 69.564 -28399 7624.3 -36023 -36023 7.0734 -10.425 0.81197 6.3905e+05 2024-05-19 14:31:27,981 INFO [main.py:798]
{rank 0/64} MD step = 337200 step time: 00:00:00.354872 Performance: 36.898 ns/day 0.650 hours/ns 2.135 steps/s 2024-05-19 14:31:33,912 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 337200 67440 70.165 -28367 7690.2 -36057 -36057 7.0691 -10.426 0.81466 6.3921e+05 2024-05-19 14:32:07,521 INFO [main.py:798]
{rank 0/64} MD step = 337300 step time: 00:00:00.328209 Performance: 36.900 ns/day 0.650 hours/ns 2.135 steps/s 2024-05-19 14:32:13,612 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 337300 67460 70.779 -28266 7757.4 -36023 -36023 7.0655 -10.425 0.81452 6.3939e+05 2024-05-19 14:32:47,320 INFO [main.py:798]
{rank 0/64} MD step = 337400 step time: 00:00:00.344766 Performance: 36.901 ns/day 0.650 hours/ns 2.136 steps/s 2024-05-19 14:32:53,683 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 337400 67480 70.21 -28456 7695.2 -36151 -36151 7.0635 -10.423 0.81617 6.3954e+05 2024-05-19 14:33:27,899 INFO [main.py:798]
{rank 0/64} MD step = 337500 step time: 00:00:00.351850 Performance: 36.903 ns/day 0.650 hours/ns 2.136 steps/s 2024-05-19 14:33:33,551 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 337500 67500 71.024 -28246 7784.3 -36030 -36030 7.0592 -10.423 0.81795 6.3975e+05 2024-05-19 14:34:07,440 INFO [main.py:798]
{rank 0/64} MD step = 337600 step time: 00:00:00.341988 Performance: 36.905 ns/day 0.650 hours/ns 2.136 steps/s 2024-05-19 14:34:12,671 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 337600 67520 68.597 -28457 7518.3 -35976 -35976 7.0552 -10.424 0.81927 6.3995e+05 2024-05-19 14:34:47,046 INFO [main.py:798]
{rank 0/64} MD step = 337700 step time: 00:00:00.340632 Performance: 36.906 ns/day 0.650 hours/ns 2.136 steps/s 2024-05-19 14:34:53,220 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 337700 67540 69.605 -28471 7628.8 -36100 -36100 7.0502 -10.425 0.82089 6.4012e+05 2024-05-19 14:35:28,995 INFO [main.py:798]
{rank 0/64} MD step = 337800 step time: 00:00:00.351011 Performance: 36.907 ns/day 0.650 hours/ns 2.136 steps/s 2024-05-19 14:35:39,268 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 337800 67560 69.889 -28310 7659.9 -35970 -35970 7.0474 -10.424 0.82075 6.4036e+05 2024-05-19 14:36:16,025 INFO [main.py:798]
{rank 0/64} MD step = 337900 step time: 00:00:00.341894 Performance: 36.907 ns/day 0.650 hours/ns 2.136 steps/s 2024-05-19 14:36:26,133 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 337900 67580 70.672 -28187 7745.7 -35933 -35933 7.044 -10.424 0.82157 6.4052e+05 2024-05-19 14:37:01,394 INFO [main.py:798]
{rank 0/64} MD step = 338000 step time: 00:00:00.370919 Performance: 36.908 ns/day 0.650 hours/ns 2.136 steps/s 2024-05-19 14:37:09,982 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338000 67600 69.535 -28312 7621.2 -35934 -35934 7.0399 -10.424 0.82264 6.407e+05 2024-05-19 14:37:44,415 INFO [main.py:798]
{rank 0/64} MD step = 338100 step time: 00:00:00.348639 Performance: 36.909 ns/day 0.650 hours/ns 2.136 steps/s 2024-05-19 14:37:51,667 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338100 67620 71.028 -28133 7784.8 -35918 -35918 7.0376 -10.423 0.82257 6.4087e+05 2024-05-19 14:38:25,612 INFO [main.py:798]
{rank 0/64} MD step = 338200 step time: 00:00:00.338522 Performance: 36.910 ns/day 0.650 hours/ns 2.136 steps/s 2024-05-19 14:38:30,592 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338200 67640 69.879 -28455 7658.9 -36114 -36114 7.0337 -10.423 0.82462 6.4108e+05 2024-05-19 14:39:07,898 INFO [main.py:798]
{rank 0/64} MD step = 338300 step time: 00:00:00.371635 Performance: 36.911 ns/day 0.650 hours/ns 2.136 steps/s 2024-05-19 14:39:19,210 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338300 67660 69.973 -28492 7669.1 -36161 -36161 7.0292 -10.424 0.82427 6.4127e+05 2024-05-19 14:39:53,322 INFO [main.py:798]
{rank 0/64} MD step = 338400 step time: 00:00:00.352803 Performance: 36.911 ns/day 0.650 hours/ns 2.136 steps/s 2024-05-19 14:39:58,623 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338400 67680 69.463 -28460 7613.3 -36073 -36073 7.027 -10.422 0.82443 6.4148e+05 2024-05-19 14:40:33,049 INFO [main.py:798]
{rank 0/64} MD step = 338500 step time: 00:00:00.359458 Performance: 36.913 ns/day 0.650 hours/ns 2.136 steps/s 2024-05-19 14:40:38,298 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338500 67700 69.689 -28310 7638 -35948 -35948 7.0253 -10.423 0.82504 6.4166e+05 2024-05-19 14:41:12,744 INFO [main.py:798]
{rank 0/64} MD step = 338600 step time: 00:00:00.351892 Performance: 36.915 ns/day 0.650 hours/ns 2.136 steps/s 2024-05-19 14:41:18,130 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338600 67720 70.294 -28267 7704.3 -35971 -35971 7.0215 -10.423 0.82634 6.4186e+05 2024-05-19 14:41:53,289 INFO [main.py:798]
{rank 0/64} MD step = 338700 step time: 00:00:00.358387 Performance: 36.916 ns/day 0.650 hours/ns 2.136 steps/s 2024-05-19 14:41:59,584 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338700 67740 70.676 -28193 7746.2 -35939 -35939 7.0171 -10.424 0.82605 6.4207e+05 2024-05-19 14:42:34,045 INFO [main.py:798]
{rank 0/64} MD step = 338800 step time: 00:00:00.352708 Performance: 36.918 ns/day 0.650 hours/ns 2.136 steps/s 2024-05-19 14:42:41,195 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338800 67760 69.545 -28492 7622.3 -36114 -36114 7.0136 -10.426 0.8266 6.4222e+05 2024-05-19 14:43:15,281 INFO [main.py:798]
{rank 0/64} MD step = 338900 step time: 00:00:00.351589 Performance: 36.919 ns/day 0.650 hours/ns 2.137 steps/s 2024-05-19 14:43:22,844 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338900 67780 68.866 -28438 7547.8 -35986 -35986 7.0109 -10.427 0.82789 6.4246e+05 2024-05-19 14:43:57,760 INFO [main.py:798]
{rank 0/64} MD step = 339000 step time: 00:00:00.348578 Performance: 36.920 ns/day 0.650 hours/ns 2.137 steps/s 2024-05-19 14:44:04,098 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 339000 67800 70.864 -28258 7766.8 -36025 -36025 7.0082 -10.426 0.8285 6.4265e+05 2024-05-19 14:44:38,207 INFO [main.py:798]
{rank 0/64} MD step = 339100 step time: 00:00:00.344462 Performance: 36.921 ns/day 0.650 hours/ns 2.137 steps/s 2024-05-19 14:44:49,261 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 339100 67820 70.812 -28522 7761.1 -36283 -36283 7.005 -10.425 0.82919 6.4279e+05 2024-05-19 14:45:23,496 INFO [main.py:798]
{rank 0/64} MD step = 339200 step time: 00:00:00.350271 Performance: 36.922 ns/day 0.650 hours/ns 2.137 steps/s 2024-05-19 14:45:31,735 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 339200 67840 70.343 -28379 7709.6 -36089 -36089 7.0001 -10.427 0.8323 6.4306e+05 2024-05-19 14:46:06,087 INFO [main.py:798]
{rank 0/64} MD step = 339300 step time: 00:00:00.343891 Performance: 36.923 ns/day 0.650 hours/ns 2.137 steps/s 2024-05-19 14:46:11,984 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 339300 67860 70.74 -28386 7753.2 -36140 -36140 6.9964 -10.427 0.83252 6.4326e+05 2024-05-19 14:46:46,241 INFO [main.py:798]
{rank 0/64} MD step = 339400 step time: 00:00:00.339532 Performance: 36.924 ns/day 0.650 hours/ns 2.137 steps/s 2024-05-19 14:46:51,558 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 339400 67880 69.376 -28478 7603.7 -36081 -36081 6.9944 -10.427 0.83365 6.4342e+05 2024-05-19 14:47:26,267 INFO [main.py:798]
{rank 0/64} MD step = 339500 step time: 00:00:00.354313 Performance: 36.926 ns/day 0.650 hours/ns 2.137 steps/s 2024-05-19 14:47:36,813 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 339500 67900 70.21 -28494 7695.1 -36189 -36189 6.9914 -10.425 0.83306 6.4359e+05 2024-05-19 14:48:12,923 INFO [main.py:798]
{rank 0/64} MD step = 339600 step time: 00:00:00.374171 Performance: 36.926 ns/day 0.650 hours/ns 2.137 steps/s 2024-05-19 14:48:18,436 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 339600 67920 70.523 -28478 7729.4 -36208 -36208 6.9872 -10.425 0.83513 6.4379e+05 2024-05-19 14:48:53,095 INFO [main.py:798]
{rank 0/64} MD step = 339700 step time: 00:00:00.345925 Performance: 36.927 ns/day 0.650 hours/ns 2.137 steps/s 2024-05-19 14:48:59,499 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 339700 67940 69.741 -28385 7643.7 -36028 -36028 6.9846 -10.425 0.83563 6.4397e+05 2024-05-19 14:49:34,276 INFO [main.py:798]
{rank 0/64} MD step = 339800 step time: 00:00:00.357926 Performance: 36.929 ns/day 0.650 hours/ns 2.137 steps/s 2024-05-19 14:49:41,168 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 339800 67960 70.345 -28277 7709.9 -35987 -35987 6.981 -10.426 0.83778 6.4416e+05 2024-05-19 14:50:15,884 INFO [main.py:798]
{rank 0/64} MD step = 339900 step time: 00:00:00.334188 Performance: 36.930 ns/day 0.650 hours/ns 2.137 steps/s 2024-05-19 14:50:21,940 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 339900 67980 70.47 -28159 7723.6 -35883 -35883 6.975 -10.426 0.83911 6.4431e+05 2024-05-19 14:50:56,914 INFO [main.py:798]
{rank 0/64} MD step = 340000 step time: 00:00:00.352847 Performance: 36.931 ns/day 0.650 hours/ns 2.137 steps/s 2024-05-19 14:51:03,467 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340000 68000 70.518 -28329 7728.9 -36058 -36058 6.9712 -10.425 0.84058 6.4448e+05 2024-05-19 14:51:37,357 INFO [main.py:798]
{rank 0/64} MD step = 340100 step time: 00:00:00.334593 Performance: 36.933 ns/day 0.650 hours/ns 2.137 steps/s 2024-05-19 14:51:42,760 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340100 68020 70.802 -28379 7759.9 -36139 -36139 6.9678 -10.425 0.84011 6.4467e+05 2024-05-19 14:52:17,994 INFO [main.py:798]
{rank 0/64} MD step = 340200 step time: 00:00:00.349511 Performance: 36.934 ns/day 0.650 hours/ns 2.137 steps/s 2024-05-19 14:52:23,982 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340200 68040 69.689 -28351 7638 -35989 -35989 6.9668 -10.424 0.83982 6.4489e+05 2024-05-19 14:52:57,872 INFO [main.py:798]
{rank 0/64} MD step = 340300 step time: 00:00:00.338292 Performance: 36.936 ns/day 0.650 hours/ns 2.137 steps/s 2024-05-19 14:53:02,971 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340300 68060 70.671 -28458 7745.7 -36204 -36204 6.9625 -10.422 0.84319 6.4506e+05 2024-05-19 14:53:37,264 INFO [main.py:798]
{rank 0/64} MD step = 340400 step time: 00:00:00.340492 Performance: 36.937 ns/day 0.650 hours/ns 2.138 steps/s 2024-05-19 14:53:46,856 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340400 68080 70.934 -28232 7774.4 -36007 -36007 6.9588 -10.424 0.84519 6.4528e+05 2024-05-19 14:54:21,152 INFO [main.py:798]
{rank 0/64} MD step = 340500 step time: 00:00:00.341706 Performance: 36.938 ns/day 0.650 hours/ns 2.138 steps/s 2024-05-19 14:54:28,877 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340500 68100 71.725 -28135 7861.2 -35996 -35996 6.9554 -10.424 0.84746 6.455e+05 2024-05-19 14:55:02,865 INFO [main.py:798]
{rank 0/64} MD step = 340600 step time: 00:00:00.334106 Performance: 36.939 ns/day 0.650 hours/ns 2.138 steps/s 2024-05-19 14:55:19,652 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340600 68120 69.577 -28442 7625.7 -36068 -36068 6.9529 -10.422 0.84816 6.457e+05 2024-05-19 14:55:54,162 INFO [main.py:798]
{rank 0/64} MD step = 340700 step time: 00:00:00.351994 Performance: 36.938 ns/day 0.650 hours/ns 2.138 steps/s 2024-05-19 14:56:00,615 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340700 68140 71.487 -28116 7835.1 -35951 -35951 6.9494 -10.421 0.84981 6.4591e+05 2024-05-19 14:56:34,712 INFO [main.py:798]
{rank 0/64} MD step = 340800 step time: 00:00:00.344750 Performance: 36.940 ns/day 0.650 hours/ns 2.138 steps/s 2024-05-19 14:56:42,733 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340800 68160 70.06 -28432 7678.7 -36111 -36111 6.9441 -10.42 0.85052 6.4607e+05 2024-05-19 14:57:16,390 INFO [main.py:798]
{rank 0/64} MD step = 340900 step time: 00:00:00.340410 Performance: 36.941 ns/day 0.650 hours/ns 2.138 steps/s 2024-05-19 14:57:24,339 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340900 68180 69.486 -28280 7615.8 -35896 -35896 6.9395 -10.421 0.84978 6.4631e+05 2024-05-19 14:57:58,569 INFO [main.py:798]
{rank 0/64} MD step = 341000 step time: 00:00:00.325686 Performance: 36.942 ns/day 0.650 hours/ns 2.138 steps/s 2024-05-19 14:58:05,474 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 341000 68200 70.324 -28210 7707.6 -35917 -35917 6.9352 -10.421 0.8519 6.4651e+05 2024-05-19 14:58:39,172 INFO [main.py:798]
{rank 0/64} MD step = 341100 step time: 00:00:00.326444 Performance: 36.943 ns/day 0.650 hours/ns 2.138 steps/s 2024-05-19 14:58:48,108 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 341100 68220 69.95 -28383 7666.6 -36050 -36050 6.9309 -10.421 0.85263 6.4667e+05 2024-05-19 14:59:22,003 INFO [main.py:798]
{rank 0/64} MD step = 341200 step time: 00:00:00.376447 Performance: 36.944 ns/day 0.650 hours/ns 2.138 steps/s 2024-05-19 14:59:28,097 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 341200 68240 68.01 -28537 7454 -35991 -35991 6.9278 -10.421 0.85266 6.4686e+05 2024-05-19 15:00:02,399 INFO [main.py:798]
{rank 0/64} MD step = 341300 step time: 00:00:00.338325 Performance: 36.946 ns/day 0.650 hours/ns 2.138 steps/s 2024-05-19 15:00:08,908 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 341300 68260 69.325 -28397 7598.2 -35995 -35995 6.9253 -10.419 0.85338 6.4709e+05 2024-05-19 15:00:43,305 INFO [main.py:798]
{rank 0/64} MD step = 341400 step time: 00:00:00.351545 Performance: 36.947 ns/day 0.650 hours/ns 2.138 steps/s 2024-05-19 15:00:50,127 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 341400 68280 70.683 -28274 7746.9 -36021 -36021 6.9232 -10.419 0.85474 6.4729e+05 2024-05-19 15:01:24,551 INFO [main.py:798]
{rank 0/64} MD step = 341500 step time: 00:00:00.343922 Performance: 36.948 ns/day 0.650 hours/ns 2.138 steps/s 2024-05-19 15:01:28,954 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 341500 68300 70.121 -28250 7685.4 -35936 -35936 6.9216 -10.42 0.85724 6.4747e+05 2024-05-19 15:02:04,825 INFO [main.py:798]
{rank 0/64} MD step = 341600 step time: 00:00:00.350412 Performance: 36.950 ns/day 0.650 hours/ns 2.138 steps/s 2024-05-19 15:02:10,864 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 341600 68320 70.624 -28272 7740.5 -36012 -36012 6.9177 -10.42 0.85917 6.4764e+05 2024-05-19 15:02:45,434 INFO [main.py:798]
{rank 0/64} MD step = 341700 step time: 00:00:00.328217 Performance: 36.951 ns/day 0.650 hours/ns 2.138 steps/s 2024-05-19 15:02:54,359 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 341700 68340 69.365 -28438 7602.5 -36041 -36041 6.9157 -10.419 0.86032 6.4782e+05 2024-05-19 15:03:28,954 INFO [main.py:798]
{rank 0/64} MD step = 341800 step time: 00:00:00.350929 Performance: 36.952 ns/day 0.649 hours/ns 2.138 steps/s 2024-05-19 15:03:35,064 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 341800 68360 69.446 -28407 7611.3 -36018 -36018 6.913 -10.419 0.86112 6.4802e+05 2024-05-19 15:04:10,067 INFO [main.py:798]
{rank 0/64} MD step = 341900 step time: 00:00:00.343939 Performance: 36.953 ns/day 0.649 hours/ns 2.139 steps/s 2024-05-19 15:04:15,741 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 341900 68380 69.788 -28369 7648.8 -36018 -36018 6.91 -10.419 0.86212 6.4818e+05 2024-05-19 15:04:49,992 INFO [main.py:798]
{rank 0/64} MD step = 342000 step time: 00:00:00.328723 Performance: 36.955 ns/day 0.649 hours/ns 2.139 steps/s 2024-05-19 15:04:55,960 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342000 68400 70.425 -28466 7718.7 -36185 -36185 6.9072 -10.418 0.86309 6.4839e+05 2024-05-19 15:05:29,810 INFO [main.py:798]
{rank 0/64} MD step = 342100 step time: 00:00:00.335411 Performance: 36.956 ns/day 0.649 hours/ns 2.139 steps/s 2024-05-19 15:05:34,152 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342100 68420 70.336 -28158 7708.9 -35867 -35867 6.9044 -10.417 0.86348 6.4862e+05 2024-05-19 15:06:10,044 INFO [main.py:798]
{rank 0/64} MD step = 342200 step time: 00:00:00.350306 Performance: 36.958 ns/day 0.649 hours/ns 2.139 steps/s 2024-05-19 15:06:14,824 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342200 68440 69.528 -28321 7620.4 -35942 -35942 6.9019 -10.416 0.86561 6.4884e+05 2024-05-19 15:06:49,045 INFO [main.py:798]
{rank 0/64} MD step = 342300 step time: 00:00:00.353607 Performance: 36.960 ns/day 0.649 hours/ns 2.139 steps/s 2024-05-19 15:07:00,684 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342300 68460 69.721 -28410 7641.5 -36051 -36051 6.8985 -10.415 0.86618 6.4898e+05 2024-05-19 15:07:35,215 INFO [main.py:798]
{rank 0/64} MD step = 342400 step time: 00:00:00.335959 Performance: 36.960 ns/day 0.649 hours/ns 2.139 steps/s 2024-05-19 15:07:41,113 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342400 68480 70.454 -28271 7721.8 -35993 -35993 6.8974 -10.413 0.86755 6.4917e+05 2024-05-19 15:08:15,190 INFO [main.py:798]
{rank 0/64} MD step = 342500 step time: 00:00:00.337977 Performance: 36.961 ns/day 0.649 hours/ns 2.139 steps/s 2024-05-19 15:08:21,526 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342500 68500 70.896 -28274 7770.3 -36044 -36044 6.8953 -10.413 0.86818 6.4933e+05 2024-05-19 15:08:56,230 INFO [main.py:798]
{rank 0/64} MD step = 342600 step time: 00:00:00.351636 Performance: 36.963 ns/day 0.649 hours/ns 2.139 steps/s 2024-05-19 15:09:01,581 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342600 68520 70.207 -28414 7694.7 -36109 -36109 6.8925 -10.414 0.8677 6.4952e+05 2024-05-19 15:09:36,110 INFO [main.py:798]
{rank 0/64} MD step = 342700 step time: 00:00:00.355215 Performance: 36.964 ns/day 0.649 hours/ns 2.139 steps/s 2024-05-19 15:09:41,508 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342700 68540 69.622 -28518 7630.6 -36148 -36148 6.8904 -10.414 0.86793 6.497e+05 2024-05-19 15:10:15,869 INFO [main.py:798]
{rank 0/64} MD step = 342800 step time: 00:00:00.351868 Performance: 36.966 ns/day 0.649 hours/ns 2.139 steps/s 2024-05-19 15:10:21,415 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342800 68560 70.901 -28379 7770.8 -36150 -36150 6.8877 -10.414 0.86823 6.4987e+05 2024-05-19 15:10:55,155 INFO [main.py:798]
{rank 0/64} MD step = 342900 step time: 00:00:00.341461 Performance: 36.968 ns/day 0.649 hours/ns 2.139 steps/s 2024-05-19 15:11:00,586 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342900 68580 69.946 -28309 7666.2 -35975 -35975 6.8863 -10.414 0.86946 6.501e+05 2024-05-19 15:11:35,800 INFO [main.py:798]
{rank 0/64} MD step = 343000 step time: 00:00:00.339378 Performance: 36.969 ns/day 0.649 hours/ns 2.139 steps/s 2024-05-19 15:11:42,952 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 343000 68600 70.636 -28479 7741.8 -36221 -36221 6.8834 -10.414 0.86936 6.5028e+05 2024-05-19 15:12:17,407 INFO [main.py:798]
{rank 0/64} MD step = 343100 step time: 00:00:00.350889 Performance: 36.970 ns/day 0.649 hours/ns 2.139 steps/s 2024-05-19 15:12:24,623 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 343100 68620 69.677 -28275 7636.7 -35912 -35912 6.8804 -10.416 0.86919 6.5049e+05 2024-05-19 15:12:59,036 INFO [main.py:798]
{rank 0/64} MD step = 343200 step time: 00:00:00.355529 Performance: 36.971 ns/day 0.649 hours/ns 2.140 steps/s 2024-05-19 15:13:05,467 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 343200 68640 68.994 -28464 7561.9 -36026 -36026 6.8779 -10.416 0.87159 6.5066e+05 2024-05-19 15:13:39,167 INFO [main.py:798]
{rank 0/64} MD step = 343300 step time: 00:00:00.344305 Performance: 36.973 ns/day 0.649 hours/ns 2.140 steps/s 2024-05-19 15:13:44,248 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 343300 68660 71.675 -28141 7855.6 -35997 -35997 6.8739 -10.417 0.87138 6.5089e+05 2024-05-19 15:14:19,363 INFO [main.py:798]
{rank 0/64} MD step = 343400 step time: 00:00:00.355565 Performance: 36.975 ns/day 0.649 hours/ns 2.140 steps/s 2024-05-19 15:14:25,404 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 343400 68680 69.952 -28473 7666.8 -36140 -36140 6.8696 -10.417 0.87184 6.5106e+05 2024-05-19 15:15:00,068 INFO [main.py:798]
{rank 0/64} MD step = 343500 step time: 00:00:00.349952 Performance: 36.976 ns/day 0.649 hours/ns 2.140 steps/s 2024-05-19 15:15:07,376 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 343500 68700 70.176 -28519 7691.4 -36210 -36210 6.8669 -10.416 0.87277 6.5121e+05 2024-05-19 15:15:41,823 INFO [main.py:798]
{rank 0/64} MD step = 343600 step time: 00:00:00.349381 Performance: 36.977 ns/day 0.649 hours/ns 2.140 steps/s 2024-05-19 15:15:50,190 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 343600 68720 69.485 -28404 7615.7 -36020 -36020 6.8626 -10.417 0.87445 6.5143e+05 2024-05-19 15:16:24,818 INFO [main.py:798]
{rank 0/64} MD step = 343700 step time: 00:00:00.355395 Performance: 36.978 ns/day 0.649 hours/ns 2.140 steps/s 2024-05-19 15:16:31,094 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 343700 68740 70.734 -28491 7752.5 -36243 -36243 6.8598 -10.417 0.87533 6.5159e+05 2024-05-19 15:17:04,960 INFO [main.py:798]
{rank 0/64} MD step = 343800 step time: 00:00:00.356323 Performance: 36.979 ns/day 0.649 hours/ns 2.140 steps/s 2024-05-19 15:17:14,930 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 343800 68760 70.869 -28505 7767.4 -36273 -36273 6.8583 -10.418 0.87439 6.5176e+05 2024-05-19 15:17:49,248 INFO [main.py:798]
{rank 0/64} MD step = 343900 step time: 00:00:00.354879 Performance: 36.980 ns/day 0.649 hours/ns 2.140 steps/s 2024-05-19 15:17:55,758 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 343900 68780 70.862 -28431 7766.6 -36198 -36198 6.8548 -10.418 0.87353 6.5198e+05 2024-05-19 15:18:29,925 INFO [main.py:798]
{rank 0/64} MD step = 344000 step time: 00:00:00.349626 Performance: 36.981 ns/day 0.649 hours/ns 2.140 steps/s 2024-05-19 15:18:38,017 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344000 68800 69.552 -28632 7623 -36255 -36255 6.8514 -10.417 0.87424 6.5216e+05 2024-05-19 15:19:12,663 INFO [main.py:798]
{rank 0/64} MD step = 344100 step time: 00:00:00.357875 Performance: 36.982 ns/day 0.649 hours/ns 2.140 steps/s 2024-05-19 15:19:18,650 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344100 68820 70.051 -28461 7677.7 -36138 -36138 6.8486 -10.418 0.87569 6.5236e+05 2024-05-19 15:19:53,038 INFO [main.py:798]
{rank 0/64} MD step = 344200 step time: 00:00:00.350824 Performance: 36.984 ns/day 0.649 hours/ns 2.140 steps/s 2024-05-19 15:19:59,832 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344200 68840 70.826 -28244 7762.7 -36006 -36006 6.8449 -10.418 0.87603 6.5251e+05 2024-05-19 15:20:35,190 INFO [main.py:798]
{rank 0/64} MD step = 344300 step time: 00:00:00.370919 Performance: 36.985 ns/day 0.649 hours/ns 2.140 steps/s 2024-05-19 15:20:40,684 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344300 68860 69.32 -28508 7597.6 -36106 -36106 6.8428 -10.418 0.87729 6.5273e+05 2024-05-19 15:21:15,226 INFO [main.py:798]
{rank 0/64} MD step = 344400 step time: 00:00:00.351313 Performance: 36.986 ns/day 0.649 hours/ns 2.140 steps/s 2024-05-19 15:21:21,499 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344400 68880 70.679 -28316 7746.5 -36062 -36062 6.8403 -10.419 0.87773 6.5293e+05 2024-05-19 15:21:56,582 INFO [main.py:798]
{rank 0/64} MD step = 344500 step time: 00:00:00.372419 Performance: 36.988 ns/day 0.649 hours/ns 2.140 steps/s 2024-05-19 15:22:01,319 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344500 68900 70.037 -28381 7676.2 -36057 -36057 6.8356 -10.419 0.87826 6.5316e+05 2024-05-19 15:22:37,149 INFO [main.py:798]
{rank 0/64} MD step = 344600 step time: 00:00:00.337844 Performance: 36.989 ns/day 0.649 hours/ns 2.141 steps/s 2024-05-19 15:22:43,071 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344600 68920 69.949 -28449 7666.5 -36116 -36116 6.8324 -10.418 0.8791 6.5335e+05 2024-05-19 15:23:17,310 INFO [main.py:798]
{rank 0/64} MD step = 344700 step time: 00:00:00.336463 Performance: 36.990 ns/day 0.649 hours/ns 2.141 steps/s 2024-05-19 15:23:23,246 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344700 68940 69.984 -28340 7670.3 -36010 -36010 6.8303 -10.418 0.88016 6.5354e+05 2024-05-19 15:23:56,991 INFO [main.py:798]
{rank 0/64} MD step = 344800 step time: 00:00:00.339071 Performance: 36.992 ns/day 0.649 hours/ns 2.141 steps/s 2024-05-19 15:24:06,003 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344800 68960 69.791 -28209 7649.1 -35858 -35858 6.8271 -10.418 0.88037 6.5372e+05 2024-05-19 15:24:41,941 INFO [main.py:798]
{rank 0/64} MD step = 344900 step time: 00:00:00.357286 Performance: 36.993 ns/day 0.649 hours/ns 2.141 steps/s 2024-05-19 15:24:47,949 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344900 68980 69.738 -28266 7643.4 -35910 -35910 6.8263 -10.418 0.88125 6.5394e+05 2024-05-19 15:25:22,578 INFO [main.py:798]
{rank 0/64} MD step = 345000 step time: 00:00:00.359304 Performance: 36.994 ns/day 0.649 hours/ns 2.141 steps/s 2024-05-19 15:25:26,644 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345000 69000 69.449 -28450 7611.7 -36062 -36062 6.823 -10.418 0.88306 6.5409e+05 2024-05-19 15:26:02,811 INFO [main.py:798]
{rank 0/64} MD step = 345100 step time: 00:00:00.345295 Performance: 36.995 ns/day 0.649 hours/ns 2.141 steps/s 2024-05-19 15:26:11,283 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345100 69020 70.115 -28353 7684.7 -36038 -36038 6.8212 -10.417 0.8847 6.5431e+05 2024-05-19 15:26:45,293 INFO [main.py:798]
{rank 0/64} MD step = 345200 step time: 00:00:00.342532 Performance: 36.996 ns/day 0.649 hours/ns 2.141 steps/s 2024-05-19 15:26:50,622 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345200 69040 69.537 -28294 7621.4 -35915 -35915 6.8183 -10.417 0.88489 6.5449e+05 2024-05-19 15:27:25,430 INFO [main.py:798]
{rank 0/64} MD step = 345300 step time: 00:00:00.359367 Performance: 36.998 ns/day 0.649 hours/ns 2.141 steps/s 2024-05-19 15:27:32,055 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345300 69060 69.361 -28569 7602.1 -36171 -36171 6.8148 -10.417 0.88497 6.5466e+05 2024-05-19 15:28:06,848 INFO [main.py:798]
{rank 0/64} MD step = 345400 step time: 00:00:00.372567 Performance: 36.999 ns/day 0.649 hours/ns 2.141 steps/s 2024-05-19 15:28:18,398 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345400 69080 70.665 -28360 7744.9 -36105 -36105 6.8122 -10.418 0.88634 6.5486e+05 2024-05-19 15:28:52,880 INFO [main.py:798]
{rank 0/64} MD step = 345500 step time: 00:00:00.349944 Performance: 36.999 ns/day 0.649 hours/ns 2.141 steps/s 2024-05-19 15:29:03,436 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345500 69100 71.28 -28265 7812.4 -36077 -36077 6.8107 -10.418 0.88662 6.5505e+05 2024-05-19 15:29:37,776 INFO [main.py:798]
{rank 0/64} MD step = 345600 step time: 00:00:00.351870 Performance: 37.000 ns/day 0.649 hours/ns 2.141 steps/s 2024-05-19 15:29:46,666 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345600 69120 70.91 -28323 7771.8 -36095 -36095 6.8072 -10.42 0.88725 6.5522e+05 2024-05-19 15:30:21,906 INFO [main.py:798]
{rank 0/64} MD step = 345700 step time: 00:00:00.364461 Performance: 37.000 ns/day 0.649 hours/ns 2.141 steps/s 2024-05-19 15:30:36,409 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345700 69140 69.629 -28651 7631.5 -36283 -36283 6.8042 -10.42 0.8878 6.5545e+05 2024-05-19 15:31:11,330 INFO [main.py:798]
{rank 0/64} MD step = 345800 step time: 00:00:00.349169 Performance: 37.000 ns/day 0.649 hours/ns 2.141 steps/s 2024-05-19 15:31:18,989 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345800 69160 69.448 -28425 7611.6 -36037 -36037 6.8017 -10.421 0.88927 6.5566e+05 2024-05-19 15:31:55,245 INFO [main.py:798]
{rank 0/64} MD step = 345900 step time: 00:00:00.370038 Performance: 37.000 ns/day 0.649 hours/ns 2.141 steps/s 2024-05-19 15:32:01,899 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345900 69180 69.966 -28535 7668.4 -36203 -36203 6.7988 -10.422 0.89037 6.5585e+05 2024-05-19 15:32:36,743 INFO [main.py:798]
{rank 0/64} MD step = 346000 step time: 00:00:00.326121 Performance: 37.001 ns/day 0.649 hours/ns 2.141 steps/s 2024-05-19 15:32:44,209 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346000 69200 69.529 -28561 7620.5 -36181 -36181 6.7974 -10.422 0.89022 6.5604e+05 2024-05-19 15:33:17,933 INFO [main.py:798]
{rank 0/64} MD step = 346100 step time: 00:00:00.326144 Performance: 37.003 ns/day 0.649 hours/ns 2.141 steps/s 2024-05-19 15:33:24,963 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346100 69220 69.941 -28313 7665.6 -35978 -35978 6.7956 -10.421 0.89195 6.5628e+05 2024-05-19 15:33:59,166 INFO [main.py:798]
{rank 0/64} MD step = 346200 step time: 00:00:00.325965 Performance: 37.004 ns/day 0.649 hours/ns 2.141 steps/s 2024-05-19 15:34:05,245 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346200 69240 69.661 -28355 7634.9 -35990 -35990 6.7929 -10.42 0.89142 6.5651e+05 2024-05-19 15:34:39,058 INFO [main.py:798]
{rank 0/64} MD step = 346300 step time: 00:00:00.326664 Performance: 37.006 ns/day 0.649 hours/ns 2.142 steps/s 2024-05-19 15:34:44,412 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346300 69260 69.34 -28344 7599.8 -35944 -35944 6.7875 -10.419 0.89214 6.5671e+05 2024-05-19 15:35:19,144 INFO [main.py:798]
{rank 0/64} MD step = 346400 step time: 00:00:00.333398 Performance: 37.007 ns/day 0.649 hours/ns 2.142 steps/s 2024-05-19 15:35:25,259 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346400 69280 69.15 -28397 7579 -35976 -35976 6.7843 -10.419 0.89285 6.5688e+05 2024-05-19 15:36:01,149 INFO [main.py:798]
{rank 0/64} MD step = 346500 step time: 00:00:00.331806 Performance: 37.008 ns/day 0.649 hours/ns 2.142 steps/s 2024-05-19 15:36:07,186 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346500 69300 70.578 -28385 7735.4 -36120 -36120 6.7829 -10.419 0.89395 6.5711e+05 2024-05-19 15:36:41,321 INFO [main.py:798]
{rank 0/64} MD step = 346600 step time: 00:00:00.327442 Performance: 37.010 ns/day 0.648 hours/ns 2.142 steps/s 2024-05-19 15:36:48,782 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346600 69320 70.151 -28492 7688.6 -36180 -36180 6.7798 -10.419 0.89554 6.5726e+05 2024-05-19 15:37:23,643 INFO [main.py:798]
{rank 0/64} MD step = 346700 step time: 00:00:00.329573 Performance: 37.011 ns/day 0.648 hours/ns 2.142 steps/s 2024-05-19 15:37:29,433 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346700 69340 70.234 -28258 7697.8 -35956 -35956 6.7765 -10.418 0.89769 6.5746e+05 2024-05-19 15:38:03,671 INFO [main.py:798]
{rank 0/64} MD step = 346800 step time: 00:00:00.354416 Performance: 37.012 ns/day 0.648 hours/ns 2.142 steps/s 2024-05-19 15:38:08,793 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346800 69360 69.518 -28335 7619.2 -35954 -35954 6.7718 -10.417 0.90044 6.5767e+05 2024-05-19 15:38:43,023 INFO [main.py:798]
{rank 0/64} MD step = 346900 step time: 00:00:00.346282 Performance: 37.014 ns/day 0.648 hours/ns 2.142 steps/s 2024-05-19 15:38:49,245 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346900 69380 70.639 -28293 7742.1 -36035 -36035 6.7708 -10.417 0.90116 6.5781e+05 2024-05-19 15:39:22,900 INFO [main.py:798]
{rank 0/64} MD step = 347000 step time: 00:00:00.341464 Performance: 37.015 ns/day 0.648 hours/ns 2.142 steps/s 2024-05-19 15:39:28,249 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347000 69400 70.689 -28260 7747.6 -36007 -36007 6.7693 -10.418 0.90218 6.5799e+05 2024-05-19 15:40:02,809 INFO [main.py:798]
{rank 0/64} MD step = 347100 step time: 00:00:00.352722 Performance: 37.017 ns/day 0.648 hours/ns 2.142 steps/s 2024-05-19 15:40:08,277 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347100 69420 69.071 -28525 7570.2 -36095 -36095 6.7648 -10.418 0.90089 6.5816e+05 2024-05-19 15:40:42,600 INFO [main.py:798]
{rank 0/64} MD step = 347200 step time: 00:00:00.351340 Performance: 37.018 ns/day 0.648 hours/ns 2.142 steps/s 2024-05-19 15:40:53,409 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347200 69440 69.451 -28417 7611.9 -36029 -36029 6.7607 -10.419 0.90232 6.5835e+05 2024-05-19 15:41:27,206 INFO [main.py:798]
{rank 0/64} MD step = 347300 step time: 00:00:00.344762 Performance: 37.019 ns/day 0.648 hours/ns 2.142 steps/s 2024-05-19 15:41:32,385 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347300 69460 70.318 -28286 7707 -35993 -35993 6.7569 -10.417 0.90312 6.5854e+05 2024-05-19 15:42:06,219 INFO [main.py:798]
{rank 0/64} MD step = 347400 step time: 00:00:00.349336 Performance: 37.021 ns/day 0.648 hours/ns 2.142 steps/s 2024-05-19 15:42:11,084 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347400 69480 69.514 -28583 7618.8 -36202 -36202 6.7535 -10.418 0.90301 6.5872e+05 2024-05-19 15:42:46,608 INFO [main.py:798]
{rank 0/64} MD step = 347500 step time: 00:00:00.358376 Performance: 37.022 ns/day 0.648 hours/ns 2.142 steps/s 2024-05-19 15:42:56,355 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347500 69500 70.44 -28484 7720.3 -36204 -36204 6.751 -10.418 0.90315 6.5889e+05 2024-05-19 15:43:31,105 INFO [main.py:798]
{rank 0/64} MD step = 347600 step time: 00:00:00.342986 Performance: 37.023 ns/day 0.648 hours/ns 2.143 steps/s 2024-05-19 15:43:36,735 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347600 69520 69.061 -28662 7569.1 -36231 -36231 6.7478 -10.418 0.90443 6.5908e+05 2024-05-19 15:44:10,768 INFO [main.py:798]
{rank 0/64} MD step = 347700 step time: 00:00:00.345036 Performance: 37.024 ns/day 0.648 hours/ns 2.143 steps/s 2024-05-19 15:44:17,429 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347700 69540 68.514 -28592 7509.2 -36101 -36101 6.7442 -10.418 0.90358 6.5928e+05 2024-05-19 15:44:51,812 INFO [main.py:798]
{rank 0/64} MD step = 347800 step time: 00:00:00.350039 Performance: 37.026 ns/day 0.648 hours/ns 2.143 steps/s 2024-05-19 15:45:02,572 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347800 69560 69.587 -28434 7626.8 -36061 -36061 6.7414 -10.418 0.90333 6.5951e+05 2024-05-19 15:45:37,104 INFO [main.py:798]
{rank 0/64} MD step = 347900 step time: 00:00:00.351351 Performance: 37.026 ns/day 0.648 hours/ns 2.143 steps/s 2024-05-19 15:45:42,507 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347900 69580 70.995 -28336 7781.1 -36117 -36117 6.7393 -10.418 0.90283 6.5968e+05 2024-05-19 15:46:16,782 INFO [main.py:798]
{rank 0/64} MD step = 348000 step time: 00:00:00.350029 Performance: 37.027 ns/day 0.648 hours/ns 2.143 steps/s 2024-05-19 15:46:22,771 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348000 69600 70.484 -28488 7725.2 -36213 -36213 6.7372 -10.418 0.90399 6.5987e+05 2024-05-19 15:46:56,558 INFO [main.py:798]
{rank 0/64} MD step = 348100 step time: 00:00:00.344938 Performance: 37.029 ns/day 0.648 hours/ns 2.143 steps/s 2024-05-19 15:47:01,916 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348100 69620 70.125 -28361 7685.8 -36047 -36047 6.7339 -10.419 0.90377 6.6012e+05 2024-05-19 15:47:36,163 INFO [main.py:798]
{rank 0/64} MD step = 348200 step time: 00:00:00.356688 Performance: 37.031 ns/day 0.648 hours/ns 2.143 steps/s 2024-05-19 15:47:42,146 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348200 69640 70.091 -28414 7682.1 -36096 -36096 6.7317 -10.418 0.90572 6.6029e+05 2024-05-19 15:48:16,654 INFO [main.py:798]
{rank 0/64} MD step = 348300 step time: 00:00:00.352451 Performance: 37.032 ns/day 0.648 hours/ns 2.143 steps/s 2024-05-19 15:48:23,599 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348300 69660 69.635 -28516 7632.1 -36148 -36148 6.7309 -10.419 0.90578 6.6049e+05 2024-05-19 15:48:58,034 INFO [main.py:798]
{rank 0/64} MD step = 348400 step time: 00:00:00.347562 Performance: 37.033 ns/day 0.648 hours/ns 2.143 steps/s 2024-05-19 15:49:03,837 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348400 69680 69.158 -28459 7579.8 -36039 -36039 6.7298 -10.42 0.90626 6.6072e+05 2024-05-19 15:49:38,071 INFO [main.py:798]
{rank 0/64} MD step = 348500 step time: 00:00:00.336863 Performance: 37.035 ns/day 0.648 hours/ns 2.143 steps/s 2024-05-19 15:49:47,096 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348500 69700 69.851 -28556 7655.8 -36212 -36212 6.7265 -10.42 0.9071 6.6086e+05 2024-05-19 15:50:20,644 INFO [main.py:798]
{rank 0/64} MD step = 348600 step time: 00:00:00.326687 Performance: 37.036 ns/day 0.648 hours/ns 2.143 steps/s 2024-05-19 15:50:27,973 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348600 69720 69.847 -28457 7655.3 -36112 -36112 6.7221 -10.421 0.9084 6.6105e+05 2024-05-19 15:51:02,342 INFO [main.py:798]
{rank 0/64} MD step = 348700 step time: 00:00:00.330424 Performance: 37.037 ns/day 0.648 hours/ns 2.143 steps/s 2024-05-19 15:51:09,706 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348700 69740 69.922 -28603 7663.6 -36266 -36266 6.7196 -10.421 0.90839 6.612e+05 2024-05-19 15:51:44,305 INFO [main.py:798]
{rank 0/64} MD step = 348800 step time: 00:00:00.326806 Performance: 37.038 ns/day 0.648 hours/ns 2.143 steps/s 2024-05-19 15:51:53,147 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348800 69760 69.644 -28547 7633.1 -36180 -36180 6.7169 -10.421 0.9075 6.6144e+05 2024-05-19 15:52:28,399 INFO [main.py:798]
{rank 0/64} MD step = 348900 step time: 00:00:00.367313 Performance: 37.038 ns/day 0.648 hours/ns 2.143 steps/s 2024-05-19 15:52:36,085 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348900 69780 70.802 -28562 7760 -36322 -36322 6.7136 -10.421 0.90876 6.616e+05 2024-05-19 15:53:11,474 INFO [main.py:798]
{rank 0/64} MD step = 349000 step time: 00:00:00.350979 Performance: 37.039 ns/day 0.648 hours/ns 2.143 steps/s 2024-05-19 15:53:18,195 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 349000 69800 70.236 -28513 7697.9 -36211 -36211 6.7111 -10.421 0.90845 6.6181e+05 2024-05-19 15:53:52,308 INFO [main.py:798]
{rank 0/64} MD step = 349100 step time: 00:00:00.350864 Performance: 37.041 ns/day 0.648 hours/ns 2.144 steps/s 2024-05-19 15:53:58,358 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 349100 69820 70.697 -28375 7748.5 -36123 -36123 6.7079 -10.42 0.91038 6.6203e+05 2024-05-19 15:54:34,015 INFO [main.py:798]
{rank 0/64} MD step = 349200 step time: 00:00:00.350549 Performance: 37.042 ns/day 0.648 hours/ns 2.144 steps/s 2024-05-19 15:54:40,360 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 349200 69840 69.99 -28405 7671 -36076 -36076 6.7051 -10.422 0.90828 6.6219e+05 2024-05-19 15:55:14,487 INFO [main.py:798]
{rank 0/64} MD step = 349300 step time: 00:00:00.352923 Performance: 37.043 ns/day 0.648 hours/ns 2.144 steps/s 2024-05-19 15:55:20,490 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 349300 69860 69.779 -28475 7647.8 -36123 -36123 6.7021 -10.421 0.90804 6.6239e+05 2024-05-19 15:55:55,490 INFO [main.py:798]
{rank 0/64} MD step = 349400 step time: 00:00:00.351250 Performance: 37.044 ns/day 0.648 hours/ns 2.144 steps/s 2024-05-19 15:56:01,076 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 349400 69880 68.8 -28616 7540.6 -36157 -36157 6.6984 -10.421 0.90704 6.626e+05 2024-05-19 15:56:35,074 INFO [main.py:798]
{rank 0/64} MD step = 349500 step time: 00:00:00.353198 Performance: 37.046 ns/day 0.648 hours/ns 2.144 steps/s 2024-05-19 15:56:47,448 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 349500 69900 70.278 -28497 7702.6 -36200 -36200 6.6952 -10.421 0.9068 6.6282e+05 2024-05-19 15:57:21,181 INFO [main.py:798]
{rank 0/64} MD step = 349600 step time: 00:00:00.345297 Performance: 37.046 ns/day 0.648 hours/ns 2.144 steps/s 2024-05-19 15:57:26,921 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 349600 69920 68.999 -28653 7562.4 -36215 -36215 6.6906 -10.421 0.90782 6.6298e+05 2024-05-19 15:58:01,314 INFO [main.py:798]
{rank 0/64} MD step = 349700 step time: 00:00:00.335041 Performance: 37.048 ns/day 0.648 hours/ns 2.144 steps/s 2024-05-19 15:58:07,321 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 349700 69940 69.606 -28658 7628.9 -36287 -36287 6.6891 -10.419 0.90925 6.6317e+05 2024-05-19 15:58:42,957 INFO [main.py:798]
{rank 0/64} MD step = 349800 step time: 00:00:00.373368 Performance: 37.049 ns/day 0.648 hours/ns 2.144 steps/s 2024-05-19 15:58:48,651 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 349800 69960 70.99 -28547 7780.6 -36328 -36328 6.6854 -10.42 0.90914 6.6333e+05 2024-05-19 15:59:22,929 INFO [main.py:798]
{rank 0/64} MD step = 349900 step time: 00:00:00.346451 Performance: 37.050 ns/day 0.648 hours/ns 2.144 steps/s 2024-05-19 15:59:28,241 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 349900 69980 69.07 -28542 7570.1 -36112 -36112 6.6822 -10.42 0.9106 6.6353e+05 2024-05-19 16:00:03,246 INFO [main.py:798]
{rank 0/64} MD step = 350000 step time: 00:00:00.358771 Performance: 37.052 ns/day 0.648 hours/ns 2.144 steps/s 2024-05-19 16:00:12,486 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 350000 70000 70.49 -28400 7725.8 -36125 -36125 6.6801 -10.42 0.91277 6.6373e+05 2024-05-19 16:00:47,156 INFO [main.py:798]
{rank 0/64} MD step = 350100 step time: 00:00:00.351457 Performance: 37.052 ns/day 0.648 hours/ns 2.144 steps/s 2024-05-19 16:00:55,329 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 350100 70020 68.807 -28631 7541.3 -36172 -36172 6.6781 -10.421 0.91258 6.6389e+05 2024-05-19 16:01:29,837 INFO [main.py:798]
{rank 0/64} MD step = 350200 step time: 00:00:00.356883 Performance: 37.053 ns/day 0.648 hours/ns 2.144 steps/s 2024-05-19 16:01:36,514 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 350200 70040 70.153 -28487 7688.9 -36176 -36176 6.6753 -10.422 0.9133 6.6405e+05 2024-05-19 16:02:10,410 INFO [main.py:798]
{rank 0/64} MD step = 350300 step time: 00:00:00.353526 Performance: 37.055 ns/day 0.648 hours/ns 2.144 steps/s 2024-05-19 16:02:18,598 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 350300 70060 69.303 -28651 7595.7 -36247 -36247 6.6733 -10.423 0.91575 6.6423e+05 2024-05-19 16:02:55,568 INFO [main.py:798]
{rank 0/64} MD step = 350400 step time: 00:00:00.371238 Performance: 37.055 ns/day 0.648 hours/ns 2.144 steps/s 2024-05-19 16:03:02,548 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 350400 70080 70.424 -28429 7718.6 -36148 -36148 6.6728 -10.421 0.91594 6.6446e+05 2024-05-19 16:03:36,690 INFO [main.py:798]
{rank 0/64} MD step = 350500 step time: 00:00:00.354196 Performance: 37.056 ns/day 0.648 hours/ns 2.144 steps/s 2024-05-19 16:03:50,487 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 350500 70100 70.348 -28511 7710.3 -36221 -36221 6.671 -10.422 0.91813 6.6459e+05 2024-05-19 16:04:24,524 INFO [main.py:798]
{rank 0/64} MD step = 350600 step time: 00:00:00.343948 Performance: 37.056 ns/day 0.648 hours/ns 2.144 steps/s 2024-05-19 16:04:34,309 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 350600 70120 70.861 -28472 7766.5 -36238 -36238 6.6688 -10.421 0.91913 6.6478e+05 2024-05-19 16:05:08,433 INFO [main.py:798]
{rank 0/64} MD step = 350700 step time: 00:00:00.349085 Performance: 37.056 ns/day 0.648 hours/ns 2.144 steps/s 2024-05-19 16:05:13,702 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 350700 70140 70.161 -28500 7689.7 -36189 -36189 6.6659 -10.421 0.91992 6.6499e+05 2024-05-19 16:05:50,048 INFO [main.py:798]
{rank 0/64} MD step = 350800 step time: 00:00:00.352979 Performance: 37.058 ns/day 0.648 hours/ns 2.145 steps/s 2024-05-19 16:05:58,936 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 350800 70160 69.404 -28514 7606.8 -36120 -36120 6.6616 -10.421 0.92081 6.6515e+05 2024-05-19 16:06:34,115 INFO [main.py:798]
{rank 0/64} MD step = 350900 step time: 00:00:00.349411 Performance: 37.058 ns/day 0.648 hours/ns 2.145 steps/s 2024-05-19 16:06:39,925 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 350900 70180 70.117 -28503 7684.9 -36188 -36188 6.6552 -10.421 0.92219 6.6534e+05 2024-05-19 16:07:16,332 INFO [main.py:798]
{rank 0/64} MD step = 351000 step time: 00:00:00.326415 Performance: 37.059 ns/day 0.648 hours/ns 2.145 steps/s 2024-05-19 16:07:22,954 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351000 70200 69.582 -28595 7626.3 -36221 -36221 6.6509 -10.42 0.92321 6.6552e+05 2024-05-19 16:07:59,579 INFO [main.py:798]
{rank 0/64} MD step = 351100 step time: 00:00:00.326423 Performance: 37.060 ns/day 0.648 hours/ns 2.145 steps/s 2024-05-19 16:08:04,176 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351100 70220 69.444 -28474 7611.2 -36085 -36085 6.6479 -10.419 0.92282 6.6572e+05 2024-05-19 16:08:39,612 INFO [main.py:798]
{rank 0/64} MD step = 351200 step time: 00:00:00.330641 Performance: 37.061 ns/day 0.648 hours/ns 2.145 steps/s 2024-05-19 16:08:44,831 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351200 70240 69.805 -28524 7650.7 -36175 -36175 6.6464 -10.421 0.9227 6.659e+05 2024-05-19 16:09:19,743 INFO [main.py:798]
{rank 0/64} MD step = 351300 step time: 00:00:00.326650 Performance: 37.063 ns/day 0.648 hours/ns 2.145 steps/s 2024-05-19 16:09:26,850 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351300 70260 68.983 -28577 7560.6 -36137 -36137 6.6434 -10.419 0.92321 6.6608e+05 2024-05-19 16:09:59,612 INFO [main.py:798]
{rank 0/64} MD step = 351400 step time: 00:00:00.344246 Performance: 37.064 ns/day 0.648 hours/ns 2.145 steps/s 2024-05-19 16:10:04,640 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351400 70280 70.796 -28384 7759.3 -36143 -36143 6.6401 -10.42 0.9226 6.6627e+05 2024-05-19 16:10:38,784 INFO [main.py:798]
{rank 0/64} MD step = 351500 step time: 00:00:00.328298 Performance: 37.066 ns/day 0.647 hours/ns 2.145 steps/s 2024-05-19 16:10:43,200 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351500 70300 69.658 -28511 7634.6 -36145 -36145 6.6368 -10.418 0.92382 6.6643e+05 2024-05-19 16:11:19,556 INFO [main.py:798]
{rank 0/64} MD step = 351600 step time: 00:00:00.343062 Performance: 37.067 ns/day 0.647 hours/ns 2.145 steps/s 2024-05-19 16:11:26,882 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351600 70320 70.316 -28435 7706.7 -36142 -36142 6.6326 -10.419 0.92504 6.6667e+05 2024-05-19 16:12:01,560 INFO [main.py:798]
{rank 0/64} MD step = 351700 step time: 00:00:00.327376 Performance: 37.069 ns/day 0.647 hours/ns 2.145 steps/s 2024-05-19 16:12:08,861 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351700 70340 69.596 -28456 7627.8 -36083 -36083 6.6308 -10.419 0.92335 6.6684e+05 2024-05-19 16:12:42,861 INFO [main.py:798]
{rank 0/64} MD step = 351800 step time: 00:00:00.326437 Performance: 37.070 ns/day 0.647 hours/ns 2.145 steps/s 2024-05-19 16:12:51,908 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351800 70360 69.426 -28473 7609.2 -36083 -36083 6.6268 -10.419 0.92466 6.6705e+05 2024-05-19 16:13:26,171 INFO [main.py:798]
{rank 0/64} MD step = 351900 step time: 00:00:00.330925 Performance: 37.070 ns/day 0.647 hours/ns 2.145 steps/s 2024-05-19 16:13:31,794 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351900 70380 69.79 -28692 7649.1 -36341 -36341 6.6258 -10.419 0.92419 6.672e+05 2024-05-19 16:14:08,691 INFO [main.py:798]
{rank 0/64} MD step = 352000 step time: 00:00:00.328906 Performance: 37.071 ns/day 0.647 hours/ns 2.145 steps/s 2024-05-19 16:14:14,228 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352000 70400 70.758 -28436 7755.1 -36191 -36191 6.6238 -10.42 0.92479 6.6744e+05 2024-05-19 16:14:49,268 INFO [main.py:798]
{rank 0/64} MD step = 352100 step time: 00:00:00.331568 Performance: 37.073 ns/day 0.647 hours/ns 2.145 steps/s 2024-05-19 16:14:56,008 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352100 70420 71.314 -28379 7816.2 -36195 -36195 6.6196 -10.419 0.92355 6.6761e+05 2024-05-19 16:15:30,394 INFO [main.py:798]
{rank 0/64} MD step = 352200 step time: 00:00:00.327672 Performance: 37.074 ns/day 0.647 hours/ns 2.145 steps/s 2024-05-19 16:15:37,475 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352200 70440 70.048 -28500 7677.3 -36177 -36177 6.6161 -10.42 0.92634 6.6783e+05 2024-05-19 16:16:12,226 INFO [main.py:798]
{rank 0/64} MD step = 352300 step time: 00:00:00.325243 Performance: 37.075 ns/day 0.647 hours/ns 2.146 steps/s 2024-05-19 16:16:16,387 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352300 70460 69.519 -28489 7619.4 -36109 -36109 6.6119 -10.419 0.92657 6.6802e+05 2024-05-19 16:16:52,353 INFO [main.py:798]
{rank 0/64} MD step = 352400 step time: 00:00:00.332212 Performance: 37.077 ns/day 0.647 hours/ns 2.146 steps/s 2024-05-19 16:17:01,871 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352400 70480 70.35 -28505 7710.4 -36216 -36216 6.6063 -10.42 0.92961 6.6821e+05 2024-05-19 16:17:36,582 INFO [main.py:798]
{rank 0/64} MD step = 352500 step time: 00:00:00.327309 Performance: 37.077 ns/day 0.647 hours/ns 2.146 steps/s 2024-05-19 16:17:42,911 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352500 70500 69.451 -28686 7611.9 -36298 -36298 6.6026 -10.42 0.92982 6.6838e+05 2024-05-19 16:18:17,862 INFO [main.py:798]
{rank 0/64} MD step = 352600 step time: 00:00:00.332236 Performance: 37.078 ns/day 0.647 hours/ns 2.146 steps/s 2024-05-19 16:18:21,643 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352600 70520 70.669 -28631 7745.4 -36377 -36377 6.5979 -10.422 0.9307 6.6856e+05 2024-05-19 16:18:58,114 INFO [main.py:798]
{rank 0/64} MD step = 352700 step time: 00:00:00.333728 Performance: 37.080 ns/day 0.647 hours/ns 2.146 steps/s 2024-05-19 16:19:06,819 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352700 70540 69.404 -28731 7606.7 -36338 -36338 6.5939 -10.424 0.93161 6.6876e+05 2024-05-19 16:19:41,427 INFO [main.py:798]
{rank 0/64} MD step = 352800 step time: 00:00:00.326462 Performance: 37.080 ns/day 0.647 hours/ns 2.146 steps/s 2024-05-19 16:19:48,454 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352800 70560 71.375 -28537 7822.8 -36359 -36359 6.5928 -10.424 0.93089 6.6893e+05 2024-05-19 16:20:22,705 INFO [main.py:798]
{rank 0/64} MD step = 352900 step time: 00:00:00.330456 Performance: 37.082 ns/day 0.647 hours/ns 2.146 steps/s 2024-05-19 16:20:28,416 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352900 70580 69.19 -28673 7583.3 -36256 -36256 6.59 -10.424 0.93062 6.6913e+05 2024-05-19 16:21:03,263 INFO [main.py:798]
{rank 0/64} MD step = 353000 step time: 00:00:00.326005 Performance: 37.083 ns/day 0.647 hours/ns 2.146 steps/s 2024-05-19 16:21:08,474 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 353000 70600 70.487 -28573 7725.5 -36298 -36298 6.5904 -10.424 0.93208 6.6927e+05 2024-05-19 16:21:42,589 INFO [main.py:798]
{rank 0/64} MD step = 353100 step time: 00:00:00.331910 Performance: 37.085 ns/day 0.647 hours/ns 2.146 steps/s 2024-05-19 16:21:46,856 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 353100 70620 70.061 -28564 7678.7 -36243 -36243 6.5882 -10.424 0.93218 6.6949e+05 2024-05-19 16:22:23,209 INFO [main.py:798]
{rank 0/64} MD step = 353200 step time: 00:00:00.332095 Performance: 37.086 ns/day 0.647 hours/ns 2.146 steps/s 2024-05-19 16:22:28,961 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 353200 70640 69.557 -28627 7623.6 -36251 -36251 6.5849 -10.424 0.9334 6.6971e+05 2024-05-19 16:23:03,706 INFO [main.py:798]
{rank 0/64} MD step = 353300 step time: 00:00:00.327465 Performance: 37.087 ns/day 0.647 hours/ns 2.146 steps/s 2024-05-19 16:23:09,344 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 353300 70660 70.642 -28568 7742.5 -36311 -36311 6.5831 -10.424 0.934 6.6986e+05 2024-05-19 16:23:44,139 INFO [main.py:798]
{rank 0/64} MD step = 353400 step time: 00:00:00.326115 Performance: 37.089 ns/day 0.647 hours/ns 2.146 steps/s 2024-05-19 16:23:52,172 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 353400 70680 70.237 -28504 7698.1 -36202 -36202 6.5793 -10.422 0.93356 6.7007e+05 2024-05-19 16:24:25,932 INFO [main.py:798]
{rank 0/64} MD step = 353500 step time: 00:00:00.330265 Performance: 37.090 ns/day 0.647 hours/ns 2.146 steps/s 2024-05-19 16:24:31,628 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 353500 70700 69.921 -28488 7663.4 -36151 -36151 6.5764 -10.422 0.93465 6.7022e+05 2024-05-19 16:25:05,648 INFO [main.py:798]
{rank 0/64} MD step = 353600 step time: 00:00:00.351581 Performance: 37.091 ns/day 0.647 hours/ns 2.146 steps/s 2024-05-19 16:25:11,963 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 353600 70720 69.632 -28561 7631.8 -36193 -36193 6.5738 -10.421 0.9341 6.7036e+05 2024-05-19 16:25:46,110 INFO [main.py:798]
{rank 0/64} MD step = 353700 step time: 00:00:00.345776 Performance: 37.093 ns/day 0.647 hours/ns 2.147 steps/s 2024-05-19 16:25:53,028 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 353700 70740 68.797 -28791 7540.2 -36331 -36331 6.5719 -10.421 0.93425 6.7055e+05 2024-05-19 16:26:28,506 INFO [main.py:798]
{rank 0/64} MD step = 353800 step time: 00:00:00.370381 Performance: 37.094 ns/day 0.647 hours/ns 2.147 steps/s 2024-05-19 16:26:34,652 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 353800 70760 69.179 -28635 7582.1 -36217 -36217 6.5693 -10.42 0.9327 6.7074e+05 2024-05-19 16:27:08,606 INFO [main.py:798]
{rank 0/64} MD step = 353900 step time: 00:00:00.350911 Performance: 37.095 ns/day 0.647 hours/ns 2.147 steps/s 2024-05-19 16:27:15,620 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 353900 70780 68.815 -28699 7542.2 -36241 -36241 6.568 -10.419 0.93291 6.7098e+05 2024-05-19 16:27:49,704 INFO [main.py:798]
{rank 0/64} MD step = 354000 step time: 00:00:00.347267 Performance: 37.096 ns/day 0.647 hours/ns 2.147 steps/s 2024-05-19 16:27:57,962 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354000 70800 68.909 -28667 7552.5 -36219 -36219 6.5648 -10.419 0.93249 6.7116e+05 2024-05-19 16:28:32,393 INFO [main.py:798]
{rank 0/64} MD step = 354100 step time: 00:00:00.355703 Performance: 37.097 ns/day 0.647 hours/ns 2.147 steps/s 2024-05-19 16:28:39,649 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354100 70820 69.865 -28652 7657.3 -36309 -36309 6.5619 -10.419 0.93274 6.7132e+05 2024-05-19 16:29:14,658 INFO [main.py:798]
{rank 0/64} MD step = 354200 step time: 00:00:00.334229 Performance: 37.098 ns/day 0.647 hours/ns 2.147 steps/s 2024-05-19 16:29:23,413 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354200 70840 69.508 -28741 7618.2 -36359 -36359 6.5592 -10.42 0.93388 6.7149e+05 2024-05-19 16:29:57,294 INFO [main.py:798]
{rank 0/64} MD step = 354300 step time: 00:00:00.336850 Performance: 37.099 ns/day 0.647 hours/ns 2.147 steps/s 2024-05-19 16:30:04,448 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354300 70860 70.44 -28559 7720.3 -36279 -36279 6.5569 -10.42 0.93449 6.7168e+05 2024-05-19 16:30:38,386 INFO [main.py:798]
{rank 0/64} MD step = 354400 step time: 00:00:00.328798 Performance: 37.100 ns/day 0.647 hours/ns 2.147 steps/s 2024-05-19 16:30:46,205 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354400 70880 69.876 -28584 7658.5 -36242 -36242 6.5517 -10.421 0.93552 6.7187e+05 2024-05-19 16:31:22,227 INFO [main.py:798]
{rank 0/64} MD step = 354500 step time: 00:00:00.330024 Performance: 37.101 ns/day 0.647 hours/ns 2.147 steps/s 2024-05-19 16:31:27,894 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354500 70900 69.184 -28605 7582.6 -36187 -36187 6.5487 -10.42 0.93708 6.7205e+05 2024-05-19 16:32:02,860 INFO [main.py:798]
{rank 0/64} MD step = 354600 step time: 00:00:00.331586 Performance: 37.102 ns/day 0.647 hours/ns 2.147 steps/s 2024-05-19 16:32:07,098 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354600 70920 70.251 -28716 7699.5 -36416 -36416 6.5453 -10.419 0.93869 6.7222e+05 2024-05-19 16:32:42,945 INFO [main.py:798]
{rank 0/64} MD step = 354700 step time: 00:00:00.326653 Performance: 37.104 ns/day 0.647 hours/ns 2.147 steps/s 2024-05-19 16:32:49,437 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354700 70940 69.848 -28514 7655.5 -36170 -36170 6.542 -10.417 0.93975 6.7242e+05 2024-05-19 16:33:25,166 INFO [main.py:798]
{rank 0/64} MD step = 354800 step time: 00:00:00.330875 Performance: 37.105 ns/day 0.647 hours/ns 2.147 steps/s 2024-05-19 16:33:30,286 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354800 70960 70.135 -28598 7686.9 -36285 -36285 6.5399 -10.417 0.94184 6.7255e+05 2024-05-19 16:34:06,426 INFO [main.py:798]
{rank 0/64} MD step = 354900 step time: 00:00:00.373193 Performance: 37.106 ns/day 0.647 hours/ns 2.147 steps/s 2024-05-19 16:34:12,291 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354900 70980 69.187 -28743 7583 -36326 -36326 6.5378 -10.417 0.94346 6.7275e+05 2024-05-19 16:34:47,671 INFO [main.py:798]
{rank 0/64} MD step = 355000 step time: 00:00:00.367886 Performance: 37.107 ns/day 0.647 hours/ns 2.147 steps/s 2024-05-19 16:34:54,942 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 355000 71000 70.369 -28534 7712.5 -36247 -36247 6.5365 -10.417 0.94451 6.7294e+05 2024-05-19 16:35:29,418 INFO [main.py:798]
{rank 0/64} MD step = 355100 step time: 00:00:00.351217 Performance: 37.108 ns/day 0.647 hours/ns 2.147 steps/s 2024-05-19 16:35:35,251 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 355100 71020 69.614 -28591 7629.8 -36221 -36221 6.5336 -10.416 0.94438 6.7315e+05 2024-05-19 16:36:09,959 INFO [main.py:798]
{rank 0/64} MD step = 355200 step time: 00:00:00.351830 Performance: 37.110 ns/day 0.647 hours/ns 2.148 steps/s 2024-05-19 16:36:16,006 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 355200 71040 69.284 -28541 7593.6 -36135 -36135 6.5308 -10.416 0.94405 6.7333e+05 2024-05-19 16:36:50,426 INFO [main.py:798]
{rank 0/64} MD step = 355300 step time: 00:00:00.354221 Performance: 37.111 ns/day 0.647 hours/ns 2.148 steps/s 2024-05-19 16:36:57,679 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 355300 71060 69.236 -28696 7588.4 -36284 -36284 6.5286 -10.416 0.94336 6.7351e+05 2024-05-19 16:37:32,307 INFO [main.py:798]
{rank 0/64} MD step = 355400 step time: 00:00:00.331465 Performance: 37.112 ns/day 0.647 hours/ns 2.148 steps/s 2024-05-19 16:37:38,023 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 355400 71080 69.732 -28634 7642.8 -36276 -36276 6.5257 -10.414 0.94573 6.737e+05 2024-05-19 16:38:12,455 INFO [main.py:798]
{rank 0/64} MD step = 355500 step time: 00:00:00.351227 Performance: 37.113 ns/day 0.647 hours/ns 2.148 steps/s 2024-05-19 16:38:18,496 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 355500 71100 68.92 -28694 7553.7 -36248 -36248 6.5233 -10.414 0.94402 6.7389e+05 2024-05-19 16:38:55,267 INFO [main.py:798]
{rank 0/64} MD step = 355600 step time: 00:00:00.349002 Performance: 37.114 ns/day 0.647 hours/ns 2.148 steps/s 2024-05-19 16:39:01,582 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 355600 71120 69.955 -28627 7667.1 -36294 -36294 6.5212 -10.414 0.94482 6.7408e+05 2024-05-19 16:39:38,499 INFO [main.py:798]
{rank 0/64} MD step = 355700 step time: 00:00:00.368694 Performance: 37.115 ns/day 0.647 hours/ns 2.148 steps/s 2024-05-19 16:39:44,209 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 355700 71140 70.569 -28615 7734.4 -36350 -36350 6.5164 -10.414 0.94716 6.7428e+05 2024-05-19 16:40:19,151 INFO [main.py:798]
{rank 0/64} MD step = 355800 step time: 00:00:00.352630 Performance: 37.116 ns/day 0.647 hours/ns 2.148 steps/s 2024-05-19 16:40:24,961 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 355800 71160 69.383 -28548 7604.4 -36153 -36153 6.5144 -10.414 0.94779 6.7447e+05 2024-05-19 16:40:59,587 INFO [main.py:798]
{rank 0/64} MD step = 355900 step time: 00:00:00.351758 Performance: 37.118 ns/day 0.647 hours/ns 2.148 steps/s 2024-05-19 16:41:05,447 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 355900 71180 69.271 -28755 7592.2 -36347 -36347 6.5099 -10.413 0.94744 6.7463e+05 2024-05-19 16:41:40,319 INFO [main.py:798]
{rank 0/64} MD step = 356000 step time: 00:00:00.354061 Performance: 37.119 ns/day 0.647 hours/ns 2.148 steps/s 2024-05-19 16:41:48,460 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 356000 71200 69.96 -28480 7667.7 -36147 -36147 6.5063 -10.412 0.94845 6.7485e+05 2024-05-19 16:42:23,268 INFO [main.py:798]
{rank 0/64} MD step = 356100 step time: 00:00:00.344610 Performance: 37.120 ns/day 0.647 hours/ns 2.148 steps/s 2024-05-19 16:42:30,406 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 356100 71220 69.419 -28601 7608.5 -36209 -36209 6.5031 -10.412 0.94939 6.7507e+05 2024-05-19 16:43:04,662 INFO [main.py:798]
{rank 0/64} MD step = 356200 step time: 00:00:00.354425 Performance: 37.121 ns/day 0.647 hours/ns 2.148 steps/s 2024-05-19 16:43:13,987 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 356200 71240 69.898 -28547 7661 -36207 -36207 6.5009 -10.411 0.94943 6.7527e+05 2024-05-19 16:43:48,101 INFO [main.py:798]
{rank 0/64} MD step = 356300 step time: 00:00:00.350244 Performance: 37.122 ns/day 0.647 hours/ns 2.148 steps/s 2024-05-19 16:43:54,951 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 356300 71260 70.418 -28439 7717.9 -36156 -36156 6.4981 -10.409 0.94996 6.7545e+05 2024-05-19 16:44:29,602 INFO [main.py:798]
{rank 0/64} MD step = 356400 step time: 00:00:00.345079 Performance: 37.123 ns/day 0.647 hours/ns 2.148 steps/s 2024-05-19 16:44:36,668 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 356400 71280 70.1 -28419 7683 -36102 -36102 6.4961 -10.409 0.9527 6.7566e+05 2024-05-19 16:45:10,697 INFO [main.py:798]
{rank 0/64} MD step = 356500 step time: 00:00:00.336998 Performance: 37.124 ns/day 0.646 hours/ns 2.148 steps/s 2024-05-19 16:45:17,017 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 356500 71300 70.496 -28388 7726.4 -36114 -36114 6.4931 -10.408 0.95331 6.7583e+05 2024-05-19 16:45:51,426 INFO [main.py:798]
{rank 0/64} MD step = 356600 step time: 00:00:00.349715 Performance: 37.125 ns/day 0.646 hours/ns 2.148 steps/s 2024-05-19 16:45:58,710 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 356600 71320 69.576 -28459 7625.6 -36084 -36084 6.4898 -10.408 0.95293 6.7601e+05 2024-05-19 16:46:33,281 INFO [main.py:798]
{rank 0/64} MD step = 356700 step time: 00:00:00.368644 Performance: 37.126 ns/day 0.646 hours/ns 2.149 steps/s 2024-05-19 16:46:39,650 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 356700 71340 70.159 -28364 7689.5 -36053 -36053 6.4858 -10.41 0.95329 6.7619e+05 2024-05-19 16:47:14,323 INFO [main.py:798]
{rank 0/64} MD step = 356800 step time: 00:00:00.353401 Performance: 37.128 ns/day 0.646 hours/ns 2.149 steps/s 2024-05-19 16:47:19,693 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 356800 71360 69.884 -28245 7659.4 -35905 -35905 6.4827 -10.409 0.95503 6.7643e+05 2024-05-19 16:47:54,366 INFO [main.py:798]
{rank 0/64} MD step = 356900 step time: 00:00:00.381540 Performance: 37.129 ns/day 0.646 hours/ns 2.149 steps/s 2024-05-19 16:48:00,015 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 356900 71380 68.899 -28648 7551.4 -36199 -36199 6.479 -10.409 0.95586 6.766e+05 2024-05-19 16:48:34,354 INFO [main.py:798]
{rank 0/64} MD step = 357000 step time: 00:00:00.351464 Performance: 37.131 ns/day 0.646 hours/ns 2.149 steps/s 2024-05-19 16:48:40,541 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 357000 71400 69.787 -28461 7648.8 -36110 -36110 6.4763 -10.407 0.95723 6.7678e+05 2024-05-19 16:49:14,306 INFO [main.py:798]
{rank 0/64} MD step = 357100 step time: 00:00:00.333992 Performance: 37.132 ns/day 0.646 hours/ns 2.149 steps/s 2024-05-19 16:49:20,830 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 357100 71420 70.145 -28434 7688 -36122 -36122 6.473 -10.406 0.95823 6.7694e+05 2024-05-19 16:49:55,525 INFO [main.py:798]
{rank 0/64} MD step = 357200 step time: 00:00:00.352202 Performance: 37.133 ns/day 0.646 hours/ns 2.149 steps/s 2024-05-19 16:49:59,662 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 357200 71440 68.924 -28474 7554.1 -36028 -36028 6.4703 -10.406 0.95914 6.7717e+05 2024-05-19 16:50:34,698 INFO [main.py:798]
{rank 0/64} MD step = 357300 step time: 00:00:00.340938 Performance: 37.135 ns/day 0.646 hours/ns 2.149 steps/s 2024-05-19 16:50:40,499 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 357300 71460 70.069 -28306 7679.7 -35985 -35985 6.4662 -10.407 0.96036 6.7737e+05 2024-05-19 16:51:15,120 INFO [main.py:798]
{rank 0/64} MD step = 357400 step time: 00:00:00.342332 Performance: 37.136 ns/day 0.646 hours/ns 2.149 steps/s 2024-05-19 16:51:20,489 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 357400 71480 69.949 -28358 7666.5 -36025 -36025 6.4639 -10.407 0.95939 6.7753e+05 2024-05-19 16:51:54,592 INFO [main.py:798]
{rank 0/64} MD step = 357500 step time: 00:00:00.355972 Performance: 37.138 ns/day 0.646 hours/ns 2.149 steps/s 2024-05-19 16:52:01,202 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 357500 71500 69.354 -28441 7601.3 -36043 -36043 6.462 -10.407 0.95916 6.7777e+05 2024-05-19 16:52:35,356 INFO [main.py:798]
{rank 0/64} MD step = 357600 step time: 00:00:00.349301 Performance: 37.139 ns/day 0.646 hours/ns 2.149 steps/s 2024-05-19 16:52:44,368 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 357600 71520 70.752 -28247 7754.5 -36001 -36001 6.4586 -10.407 0.9592 6.7795e+05 2024-05-19 16:53:19,242 INFO [main.py:798]
{rank 0/64} MD step = 357700 step time: 00:00:00.346949 Performance: 37.140 ns/day 0.646 hours/ns 2.149 steps/s 2024-05-19 16:53:29,347 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 357700 71540 69.867 -28410 7657.6 -36068 -36068 6.4568 -10.406 0.95981 6.7812e+05 2024-05-19 16:54:03,506 INFO [main.py:798]
{rank 0/64} MD step = 357800 step time: 00:00:00.349192 Performance: 37.140 ns/day 0.646 hours/ns 2.149 steps/s 2024-05-19 16:54:12,463 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 357800 71560 69.922 -28454 7663.6 -36118 -36118 6.4536 -10.406 0.95939 6.7834e+05 2024-05-19 16:54:47,117 INFO [main.py:798]
{rank 0/64} MD step = 357900 step time: 00:00:00.358074 Performance: 37.141 ns/day 0.646 hours/ns 2.149 steps/s 2024-05-19 16:54:54,162 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 357900 71580 70.101 -28420 7683.2 -36103 -36103 6.4514 -10.407 0.95912 6.7854e+05 2024-05-19 16:55:28,603 INFO [main.py:798]
{rank 0/64} MD step = 358000 step time: 00:00:00.350689 Performance: 37.142 ns/day 0.646 hours/ns 2.149 steps/s 2024-05-19 16:55:34,014 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 358000 71600 70.955 -28294 7776.8 -36071 -36071 6.4499 -10.407 0.95867 6.7875e+05 2024-05-19 16:56:08,327 INFO [main.py:798]
{rank 0/64} MD step = 358100 step time: 00:00:00.353179 Performance: 37.143 ns/day 0.646 hours/ns 2.150 steps/s 2024-05-19 16:56:13,568 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 358100 71620 69.997 -28319 7671.8 -35991 -35991 6.4455 -10.406 0.95921 6.7891e+05 2024-05-19 16:56:48,294 INFO [main.py:798]
{rank 0/64} MD step = 358200 step time: 00:00:00.368946 Performance: 37.145 ns/day 0.646 hours/ns 2.150 steps/s 2024-05-19 16:57:07,877 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 358200 71640 70.806 -28377 7760.5 -36137 -36137 6.4421 -10.406 0.95925 6.7911e+05 2024-05-19 16:57:42,229 INFO [main.py:798]
{rank 0/64} MD step = 358300 step time: 00:00:00.349724 Performance: 37.143 ns/day 0.646 hours/ns 2.149 steps/s 2024-05-19 16:57:50,651 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 358300 71660 69.914 -28349 7662.7 -36011 -36011 6.4383 -10.406 0.96004 6.7934e+05 2024-05-19 16:58:25,572 INFO [main.py:798]
{rank 0/64} MD step = 358400 step time: 00:00:00.352340 Performance: 37.144 ns/day 0.646 hours/ns 2.150 steps/s 2024-05-19 16:58:33,526 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 358400 71680 69.829 -28305 7653.3 -35958 -35958 6.435 -10.406 0.95952 6.7952e+05 2024-05-19 16:59:08,064 INFO [main.py:798]
{rank 0/64} MD step = 358500 step time: 00:00:00.353735 Performance: 37.145 ns/day 0.646 hours/ns 2.150 steps/s 2024-05-19 16:59:16,859 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 358500 71700 69.432 -28576 7609.9 -36186 -36186 6.4325 -10.406 0.95981 6.7971e+05 2024-05-19 16:59:53,692 INFO [main.py:798]
{rank 0/64} MD step = 358600 step time: 00:00:00.329005 Performance: 37.145 ns/day 0.646 hours/ns 2.150 steps/s 2024-05-19 16:59:59,749 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 358600 71720 69.526 -28443 7620.2 -36064 -36064 6.4274 -10.405 0.96156 6.799e+05 2024-05-19 17:00:36,514 INFO [main.py:798]
{rank 0/64} MD step = 358700 step time: 00:00:00.329583 Performance: 37.146 ns/day 0.646 hours/ns 2.150 steps/s 2024-05-19 17:00:42,314 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 358700 71740 68.984 -28536 7560.8 -36097 -36097 6.4235 -10.406 0.96223 6.8006e+05 2024-05-19 17:01:16,839 INFO [main.py:798]
{rank 0/64} MD step = 358800 step time: 00:00:00.326309 Performance: 37.147 ns/day 0.646 hours/ns 2.150 steps/s 2024-05-19 17:01:23,592 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 358800 71760 70.915 -28308 7772.4 -36080 -36080 6.4209 -10.406 0.9632 6.8026e+05 2024-05-19 17:01:58,525 INFO [main.py:798]
{rank 0/64} MD step = 358900 step time: 00:00:00.326469 Performance: 37.148 ns/day 0.646 hours/ns 2.150 steps/s 2024-05-19 17:02:04,879 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 358900 71780 70.708 -28126 7749.7 -35876 -35876 6.4174 -10.405 0.96206 6.8045e+05 2024-05-19 17:02:39,803 INFO [main.py:798]
{rank 0/64} MD step = 359000 step time: 00:00:00.325643 Performance: 37.149 ns/day 0.646 hours/ns 2.150 steps/s 2024-05-19 17:02:45,891 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359000 71800 69.462 -28558 7613.1 -36171 -36171 6.4139 -10.404 0.96362 6.8063e+05 2024-05-19 17:03:21,787 INFO [main.py:798]
{rank 0/64} MD step = 359100 step time: 00:00:00.326512 Performance: 37.150 ns/day 0.646 hours/ns 2.150 steps/s 2024-05-19 17:03:28,441 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359100 71820 71.142 -28340 7797.2 -36137 -36137 6.4098 -10.405 0.96367 6.8081e+05 2024-05-19 17:04:03,065 INFO [main.py:798]
{rank 0/64} MD step = 359200 step time: 00:00:00.351275 Performance: 37.152 ns/day 0.646 hours/ns 2.150 steps/s 2024-05-19 17:04:09,003 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359200 71840 70.155 -28519 7689.1 -36208 -36208 6.4068 -10.404 0.96318 6.8099e+05 2024-05-19 17:04:42,896 INFO [main.py:798]
{rank 0/64} MD step = 359300 step time: 00:00:00.338884 Performance: 37.153 ns/day 0.646 hours/ns 2.150 steps/s 2024-05-19 17:04:50,031 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359300 71860 70.766 -28281 7756 -36036 -36036 6.404 -10.405 0.96455 6.8122e+05 2024-05-19 17:05:26,003 INFO [main.py:798]
{rank 0/64} MD step = 359400 step time: 00:00:00.365834 Performance: 37.154 ns/day 0.646 hours/ns 2.150 steps/s 2024-05-19 17:05:36,732 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359400 71880 70.35 -28567 7710.4 -36278 -36278 6.402 -10.405 0.96493 6.814e+05 2024-05-19 17:06:10,566 INFO [main.py:798]
{rank 0/64} MD step = 359500 step time: 00:00:00.325882 Performance: 37.154 ns/day 0.646 hours/ns 2.150 steps/s 2024-05-19 17:06:16,892 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359500 71900 69.755 -28698 7645.3 -36343 -36343 6.3981 -10.405 0.96508 6.8156e+05 2024-05-19 17:06:51,122 INFO [main.py:798]
{rank 0/64} MD step = 359600 step time: 00:00:00.327169 Performance: 37.156 ns/day 0.646 hours/ns 2.150 steps/s 2024-05-19 17:06:57,900 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359600 71920 69.148 -28724 7578.7 -36303 -36303 6.394 -10.405 0.96567 6.8177e+05 2024-05-19 17:07:32,559 INFO [main.py:798]
{rank 0/64} MD step = 359700 step time: 00:00:00.331750 Performance: 37.157 ns/day 0.646 hours/ns 2.150 steps/s 2024-05-19 17:07:38,690 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359700 71940 69.295 -28484 7594.9 -36079 -36079 6.3892 -10.407 0.96731 6.8197e+05 2024-05-19 17:08:13,842 INFO [main.py:798]
{rank 0/64} MD step = 359800 step time: 00:00:00.327872 Performance: 37.158 ns/day 0.646 hours/ns 2.150 steps/s 2024-05-19 17:08:20,065 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359800 71960 70.635 -28587 7741.7 -36329 -36329 6.3829 -10.406 0.96737 6.821e+05 2024-05-19 17:08:54,916 INFO [main.py:798]
{rank 0/64} MD step = 359900 step time: 00:00:00.346461 Performance: 37.159 ns/day 0.646 hours/ns 2.150 steps/s 2024-05-19 17:09:01,465 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359900 71980 70.597 -28509 7737.6 -36247 -36247 6.3801 -10.406 0.96784 6.8229e+05 2024-05-19 17:09:37,085 INFO [main.py:798]
{rank 0/64} MD step = 360000 step time: 00:00:00.328124 Performance: 37.160 ns/day 0.646 hours/ns 2.150 steps/s 2024-05-19 17:09:50,448 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360000 72000 69.781 -28712 7648 -36360 -36360 6.376 -10.406 0.96807 6.8252e+05 2024-05-19 17:10:26,149 INFO [main.py:798]
{rank 0/64} MD step = 360100 step time: 00:00:00.328857 Performance: 37.160 ns/day 0.646 hours/ns 2.150 steps/s 2024-05-19 17:10:32,096 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360100 72020 70.192 -28486 7693.2 -36180 -36180 6.3732 -10.406 0.96838 6.8271e+05 2024-05-19 17:11:06,411 INFO [main.py:798]
{rank 0/64} MD step = 360200 step time: 00:00:00.325993 Performance: 37.161 ns/day 0.646 hours/ns 2.151 steps/s 2024-05-19 17:11:13,075 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360200 72040 70.058 -28667 7678.4 -36345 -36345 6.37 -10.405 0.96883 6.8288e+05 2024-05-19 17:11:46,984 INFO [main.py:798]
{rank 0/64} MD step = 360300 step time: 00:00:00.332013 Performance: 37.162 ns/day 0.646 hours/ns 2.151 steps/s 2024-05-19 17:11:53,246 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360300 72060 70.678 -28597 7746.4 -36343 -36343 6.3672 -10.405 0.96807 6.8311e+05 2024-05-19 17:12:27,981 INFO [main.py:798]
{rank 0/64} MD step = 360400 step time: 00:00:00.326148 Performance: 37.163 ns/day 0.646 hours/ns 2.151 steps/s 2024-05-19 17:12:34,928 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360400 72080 69.764 -28673 7646.2 -36320 -36320 6.3643 -10.405 0.96802 6.8333e+05 2024-05-19 17:13:09,765 INFO [main.py:798]
{rank 0/64} MD step = 360500 step time: 00:00:00.329818 Performance: 37.164 ns/day 0.646 hours/ns 2.151 steps/s 2024-05-19 17:13:16,230 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360500 72100 70.257 -28648 7700.2 -36348 -36348 6.363 -10.407 0.96813 6.8353e+05 2024-05-19 17:13:53,124 INFO [main.py:798]
{rank 0/64} MD step = 360600 step time: 00:00:00.327559 Performance: 37.165 ns/day 0.646 hours/ns 2.151 steps/s 2024-05-19 17:14:07,479 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360600 72120 69.202 -28666 7584.7 -36251 -36251 6.3614 -10.408 0.96853 6.8372e+05 2024-05-19 17:14:41,445 INFO [main.py:798]
{rank 0/64} MD step = 360700 step time: 00:00:00.330775 Performance: 37.165 ns/day 0.646 hours/ns 2.151 steps/s 2024-05-19 17:14:55,103 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360700 72140 70.93 -28540 7774 -36314 -36314 6.358 -10.408 0.97072 6.839e+05 2024-05-19 17:15:29,740 INFO [main.py:798]
{rank 0/64} MD step = 360800 step time: 00:00:00.370217 Performance: 37.164 ns/day 0.646 hours/ns 2.151 steps/s 2024-05-19 17:15:36,787 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360800 72160 70.512 -28524 7728.2 -36253 -36253 6.356 -10.407 0.97129 6.841e+05 2024-05-19 17:16:11,369 INFO [main.py:798]
{rank 0/64} MD step = 360900 step time: 00:00:00.345386 Performance: 37.165 ns/day 0.646 hours/ns 2.151 steps/s 2024-05-19 17:16:19,277 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360900 72180 70.513 -28584 7728.4 -36312 -36312 6.3522 -10.407 0.97106 6.8429e+05 2024-05-19 17:16:53,332 INFO [main.py:798]
{rank 0/64} MD step = 361000 step time: 00:00:00.351063 Performance: 37.166 ns/day 0.646 hours/ns 2.151 steps/s 2024-05-19 17:17:01,314 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 361000 72200 70.388 -28641 7714.6 -36355 -36355 6.3481 -10.407 0.9697 6.8447e+05 2024-05-19 17:17:35,162 INFO [main.py:798]
{rank 0/64} MD step = 361100 step time: 00:00:00.336985 Performance: 37.168 ns/day 0.646 hours/ns 2.151 steps/s 2024-05-19 17:17:44,792 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 361100 72220 70.138 -28491 7687.2 -36178 -36178 6.3433 -10.407 0.97007 6.8467e+05 2024-05-19 17:18:18,638 INFO [main.py:798]
{rank 0/64} MD step = 361200 step time: 00:00:00.339856 Performance: 37.168 ns/day 0.646 hours/ns 2.151 steps/s 2024-05-19 17:18:25,096 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 361200 72240 68.668 -28601 7526.1 -36127 -36127 6.3402 -10.408 0.97202 6.8487e+05 2024-05-19 17:18:59,122 INFO [main.py:798]
{rank 0/64} MD step = 361300 step time: 00:00:00.345062 Performance: 37.170 ns/day 0.646 hours/ns 2.151 steps/s 2024-05-19 17:19:05,083 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 361300 72260 70.867 -28441 7767.1 -36208 -36208 6.3371 -10.409 0.97276 6.8505e+05 2024-05-19 17:19:39,177 INFO [main.py:798]
{rank 0/64} MD step = 361400 step time: 00:00:00.347713 Performance: 37.171 ns/day 0.646 hours/ns 2.151 steps/s 2024-05-19 17:19:47,327 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 361400 72280 70.016 -28633 7673.8 -36307 -36307 6.3353 -10.41 0.9729 6.8518e+05 2024-05-19 17:20:21,704 INFO [main.py:798]
{rank 0/64} MD step = 361500 step time: 00:00:00.357450 Performance: 37.172 ns/day 0.646 hours/ns 2.151 steps/s 2024-05-19 17:20:26,505 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 361500 72300 70.934 -28415 7774.5 -36189 -36189 6.331 -10.41 0.97216 6.8543e+05 2024-05-19 17:21:02,322 INFO [main.py:798]
{rank 0/64} MD step = 361600 step time: 00:00:00.326621 Performance: 37.173 ns/day 0.646 hours/ns 2.151 steps/s 2024-05-19 17:21:09,040 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 361600 72320 69.794 -28532 7649.5 -36182 -36182 6.3291 -10.41 0.97171 6.8562e+05 2024-05-19 17:21:42,949 INFO [main.py:798]
{rank 0/64} MD step = 361700 step time: 00:00:00.326304 Performance: 37.174 ns/day 0.646 hours/ns 2.151 steps/s 2024-05-19 17:21:49,046 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 361700 72340 69.274 -28529 7592.5 -36121 -36121 6.327 -10.41 0.97362 6.8581e+05 2024-05-19 17:22:24,269 INFO [main.py:798]
{rank 0/64} MD step = 361800 step time: 00:00:00.326804 Performance: 37.176 ns/day 0.646 hours/ns 2.151 steps/s 2024-05-19 17:22:29,096 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 361800 72360 70.029 -28567 7675.3 -36243 -36243 6.3258 -10.41 0.97337 6.8596e+05 2024-05-19 17:23:07,952 INFO [main.py:798]
{rank 0/64} MD step = 361900 step time: 00:00:00.359600 Performance: 37.176 ns/day 0.646 hours/ns 2.151 steps/s 2024-05-19 17:23:14,556 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 361900 72380 70.864 -28382 7766.8 -36149 -36149 6.3233 -10.409 0.97419 6.8615e+05 2024-05-19 17:23:49,011 INFO [main.py:798]
{rank 0/64} MD step = 362000 step time: 00:00:00.343256 Performance: 37.177 ns/day 0.646 hours/ns 2.151 steps/s 2024-05-19 17:23:55,199 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 362000 72400 69.089 -28480 7572.2 -36052 -36052 6.3207 -10.41 0.97537 6.8636e+05 2024-05-19 17:24:29,142 INFO [main.py:798]
{rank 0/64} MD step = 362100 step time: 00:00:00.347604 Performance: 37.179 ns/day 0.646 hours/ns 2.152 steps/s 2024-05-19 17:24:34,651 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 362100 72420 69.974 -28586 7669.2 -36255 -36255 6.32 -10.411 0.97543 6.8654e+05 2024-05-19 17:25:09,160 INFO [main.py:798]
{rank 0/64} MD step = 362200 step time: 00:00:00.338588 Performance: 37.180 ns/day 0.646 hours/ns 2.152 steps/s 2024-05-19 17:25:16,095 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 362200 72440 69.565 -28466 7624.4 -36091 -36091 6.3162 -10.41 0.9759 6.8673e+05 2024-05-19 17:25:50,803 INFO [main.py:798]
{rank 0/64} MD step = 362300 step time: 00:00:00.346256 Performance: 37.181 ns/day 0.645 hours/ns 2.152 steps/s 2024-05-19 17:25:56,418 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 362300 72460 69.58 -28514 7626 -36140 -36140 6.313 -10.41 0.97676 6.8693e+05 2024-05-19 17:26:30,675 INFO [main.py:798]
{rank 0/64} MD step = 362400 step time: 00:00:00.343952 Performance: 37.183 ns/day 0.645 hours/ns 2.152 steps/s 2024-05-19 17:26:35,902 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 362400 72480 69.963 -28644 7668 -36311 -36311 6.3085 -10.411 0.97882 6.871e+05 2024-05-19 17:27:10,226 INFO [main.py:798]
{rank 0/64} MD step = 362500 step time: 00:00:00.326292 Performance: 37.184 ns/day 0.645 hours/ns 2.152 steps/s 2024-05-19 17:27:16,337 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 362500 72500 69.854 -28571 7656.1 -36227 -36227 6.3049 -10.41 0.97939 6.8734e+05 2024-05-19 17:27:51,008 INFO [main.py:798]
{rank 0/64} MD step = 362600 step time: 00:00:00.343187 Performance: 37.185 ns/day 0.645 hours/ns 2.152 steps/s 2024-05-19 17:27:57,613 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 362600 72520 68.934 -28568 7555.2 -36123 -36123 6.3028 -10.41 0.98051 6.8753e+05 2024-05-19 17:28:31,489 INFO [main.py:798]
{rank 0/64} MD step = 362700 step time: 00:00:00.342098 Performance: 37.187 ns/day 0.645 hours/ns 2.152 steps/s 2024-05-19 17:28:38,256 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 362700 72540 70.636 -28314 7741.8 -36055 -36055 6.3006 -10.41 0.97981 6.8773e+05 2024-05-19 17:29:12,488 INFO [main.py:798]
{rank 0/64} MD step = 362800 step time: 00:00:00.328695 Performance: 37.188 ns/day 0.645 hours/ns 2.152 steps/s 2024-05-19 17:29:17,748 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 362800 72560 70.997 -28182 7781.4 -35963 -35963 6.2957 -10.41 0.97952 6.8793e+05 2024-05-19 17:29:52,006 INFO [main.py:798]
{rank 0/64} MD step = 362900 step time: 00:00:00.356974 Performance: 37.190 ns/day 0.645 hours/ns 2.152 steps/s 2024-05-19 17:29:57,276 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 362900 72580 70.511 -28426 7728 -36154 -36154 6.2927 -10.408 0.98043 6.881e+05 2024-05-19 17:30:31,782 INFO [main.py:798]
{rank 0/64} MD step = 363000 step time: 00:00:00.349184 Performance: 37.191 ns/day 0.645 hours/ns 2.152 steps/s 2024-05-19 17:30:37,645 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 363000 72600 69.769 -28463 7646.8 -36110 -36110 6.2901 -10.408 0.98053 6.8829e+05 2024-05-19 17:31:11,505 INFO [main.py:798]
{rank 0/64} MD step = 363100 step time: 00:00:00.356230 Performance: 37.193 ns/day 0.645 hours/ns 2.152 steps/s 2024-05-19 17:31:18,466 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 363100 72620 70.438 -28353 7720.1 -36073 -36073 6.288 -10.408 0.9811 6.8848e+05 2024-05-19 17:31:52,542 INFO [main.py:798]
{rank 0/64} MD step = 363200 step time: 00:00:00.338916 Performance: 37.194 ns/day 0.645 hours/ns 2.152 steps/s 2024-05-19 17:31:58,737 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 363200 72640 70.062 -28566 7678.8 -36245 -36245 6.2854 -10.41 0.97955 6.8866e+05 2024-05-19 17:32:32,886 INFO [main.py:798]
{rank 0/64} MD step = 363300 step time: 00:00:00.358851 Performance: 37.195 ns/day 0.645 hours/ns 2.152 steps/s 2024-05-19 17:32:39,236 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 363300 72660 70.616 -28290 7739.6 -36030 -36030 6.2834 -10.409 0.97998 6.8886e+05 2024-05-19 17:33:13,667 INFO [main.py:798]
{rank 0/64} MD step = 363400 step time: 00:00:00.351831 Performance: 37.196 ns/day 0.645 hours/ns 2.153 steps/s 2024-05-19 17:33:19,407 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 363400 72680 69.391 -28554 7605.4 -36159 -36159 6.2805 -10.41 0.98036 6.8905e+05 2024-05-19 17:33:54,201 INFO [main.py:798]
{rank 0/64} MD step = 363500 step time: 00:00:00.351088 Performance: 37.198 ns/day 0.645 hours/ns 2.153 steps/s 2024-05-19 17:33:59,656 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 363500 72700 71.729 -28231 7861.5 -36092 -36092 6.2765 -10.408 0.98053 6.8922e+05 2024-05-19 17:34:34,142 INFO [main.py:798]
{rank 0/64} MD step = 363600 step time: 00:00:00.363696 Performance: 37.199 ns/day 0.645 hours/ns 2.153 steps/s 2024-05-19 17:34:39,074 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 363600 72720 70.257 -28465 7700.3 -36165 -36165 6.2731 -10.408 0.98143 6.8941e+05 2024-05-19 17:35:13,306 INFO [main.py:798]
{rank 0/64} MD step = 363700 step time: 00:00:00.353017 Performance: 37.201 ns/day 0.645 hours/ns 2.153 steps/s 2024-05-19 17:35:19,165 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 363700 72740 70.073 -28439 7680 -36119 -36119 6.2719 -10.408 0.98203 6.8963e+05 2024-05-19 17:35:54,088 INFO [main.py:798]
{rank 0/64} MD step = 363800 step time: 00:00:00.371359 Performance: 37.202 ns/day 0.645 hours/ns 2.153 steps/s 2024-05-19 17:36:01,888 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 363800 72760 70.326 -28361 7707.8 -36068 -36068 6.2674 -10.407 0.98238 6.8983e+05 2024-05-19 17:36:36,337 INFO [main.py:798]
{rank 0/64} MD step = 363900 step time: 00:00:00.351596 Performance: 37.203 ns/day 0.645 hours/ns 2.153 steps/s 2024-05-19 17:36:42,771 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 363900 72780 70.281 -28546 7702.9 -36249 -36249 6.2655 -10.407 0.98324 6.8999e+05 2024-05-19 17:37:18,755 INFO [main.py:798]
{rank 0/64} MD step = 364000 step time: 00:00:00.358529 Performance: 37.204 ns/day 0.645 hours/ns 2.153 steps/s 2024-05-19 17:37:29,679 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364000 72800 71.055 -28398 7787.7 -36186 -36186 6.2626 -10.407 0.984 6.9019e+05 2024-05-19 17:38:04,241 INFO [main.py:798]
{rank 0/64} MD step = 364100 step time: 00:00:00.347958 Performance: 37.204 ns/day 0.645 hours/ns 2.153 steps/s 2024-05-19 17:38:12,935 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364100 72820 69.716 -28472 7641 -36113 -36113 6.2605 -10.407 0.98413 6.9037e+05 2024-05-19 17:38:47,426 INFO [main.py:798]
{rank 0/64} MD step = 364200 step time: 00:00:00.350695 Performance: 37.205 ns/day 0.645 hours/ns 2.153 steps/s 2024-05-19 17:38:52,978 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364200 72840 69.522 -28547 7619.7 -36167 -36167 6.2572 -10.408 0.98466 6.9056e+05 2024-05-19 17:39:29,215 INFO [main.py:798]
{rank 0/64} MD step = 364300 step time: 00:00:00.368883 Performance: 37.206 ns/day 0.645 hours/ns 2.153 steps/s 2024-05-19 17:39:37,704 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364300 72860 69.47 -28455 7614 -36069 -36069 6.2548 -10.409 0.98553 6.9072e+05 2024-05-19 17:40:11,716 INFO [main.py:798]
{rank 0/64} MD step = 364400 step time: 00:00:00.346477 Performance: 37.207 ns/day 0.645 hours/ns 2.153 steps/s 2024-05-19 17:40:17,512 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364400 72880 69.802 -28491 7650.4 -36141 -36141 6.2531 -10.409 0.9852 6.909e+05 2024-05-19 17:40:53,396 INFO [main.py:798]
{rank 0/64} MD step = 364500 step time: 00:00:00.369503 Performance: 37.208 ns/day 0.645 hours/ns 2.153 steps/s 2024-05-19 17:41:00,311 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364500 72900 69.995 -28485 7671.6 -36157 -36157 6.2527 -10.41 0.98687 6.9112e+05 2024-05-19 17:41:35,330 INFO [main.py:798]
{rank 0/64} MD step = 364600 step time: 00:00:00.332890 Performance: 37.209 ns/day 0.645 hours/ns 2.153 steps/s 2024-05-19 17:41:40,689 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364600 72920 70.249 -28454 7699.3 -36153 -36153 6.2514 -10.409 0.98747 6.9129e+05 2024-05-19 17:42:15,235 INFO [main.py:798]
{rank 0/64} MD step = 364700 step time: 00:00:00.339097 Performance: 37.210 ns/day 0.645 hours/ns 2.153 steps/s 2024-05-19 17:42:20,671 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364700 72940 70.5 -28586 7726.8 -36313 -36313 6.2486 -10.41 0.98931 6.9143e+05 2024-05-19 17:42:54,680 INFO [main.py:798]
{rank 0/64} MD step = 364800 step time: 00:00:00.345333 Performance: 37.212 ns/day 0.645 hours/ns 2.153 steps/s 2024-05-19 17:43:00,155 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364800 72960 71.514 -28364 7838.1 -36202 -36202 6.2458 -10.41 0.99012 6.9163e+05 2024-05-19 17:43:34,366 INFO [main.py:798]
{rank 0/64} MD step = 364900 step time: 00:00:00.339147 Performance: 37.213 ns/day 0.645 hours/ns 2.154 steps/s 2024-05-19 17:43:42,739 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364900 72980 70.177 -28520 7691.5 -36211 -36211 6.2441 -10.409 0.98854 6.9179e+05 2024-05-19 17:44:17,115 INFO [main.py:798]
{rank 0/64} MD step = 365000 step time: 00:00:00.338319 Performance: 37.214 ns/day 0.645 hours/ns 2.154 steps/s 2024-05-19 17:44:22,565 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 365000 73000 70.162 -28455 7689.8 -36145 -36145 6.2402 -10.41 0.98833 6.9202e+05 2024-05-19 17:44:57,161 INFO [main.py:798]
{rank 0/64} MD step = 365100 step time: 00:00:00.353462 Performance: 37.215 ns/day 0.645 hours/ns 2.154 steps/s 2024-05-19 17:45:03,382 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 365100 73020 70.368 -28567 7712.4 -36279 -36279 6.2373 -10.409 0.98788 6.9219e+05 2024-05-19 17:45:37,995 INFO [main.py:798]
{rank 0/64} MD step = 365200 step time: 00:00:00.349568 Performance: 37.216 ns/day 0.645 hours/ns 2.154 steps/s 2024-05-19 17:45:43,736 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 365200 73040 70.166 -28550 7690.3 -36241 -36241 6.2327 -10.408 0.98783 6.9238e+05 2024-05-19 17:46:18,155 INFO [main.py:798]
{rank 0/64} MD step = 365300 step time: 00:00:00.347402 Performance: 37.218 ns/day 0.645 hours/ns 2.154 steps/s 2024-05-19 17:46:24,898 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 365300 73060 70.371 -28371 7712.7 -36084 -36084 6.2294 -10.409 0.98935 6.9261e+05 2024-05-19 17:46:58,740 INFO [main.py:798]
{rank 0/64} MD step = 365400 step time: 00:00:00.353583 Performance: 37.219 ns/day 0.645 hours/ns 2.154 steps/s 2024-05-19 17:47:06,846 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 365400 73080 69.887 -28454 7659.7 -36114 -36114 6.2275 -10.411 0.98922 6.9278e+05 2024-05-19 17:47:40,510 INFO [main.py:798]
{rank 0/64} MD step = 365500 step time: 00:00:00.327011 Performance: 37.220 ns/day 0.645 hours/ns 2.154 steps/s 2024-05-19 17:47:54,547 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 365500 73100 71.033 -28310 7785.3 -36095 -36095 6.2256 -10.411 0.99021 6.9296e+05 2024-05-19 17:48:29,138 INFO [main.py:798]
{rank 0/64} MD step = 365600 step time: 00:00:00.346609 Performance: 37.220 ns/day 0.645 hours/ns 2.154 steps/s 2024-05-19 17:48:38,172 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 365600 73120 68.863 -28602 7547.5 -36150 -36150 6.2225 -10.411 0.99089 6.9316e+05 2024-05-19 17:49:12,563 INFO [main.py:798]
{rank 0/64} MD step = 365700 step time: 00:00:00.349643 Performance: 37.220 ns/day 0.645 hours/ns 2.154 steps/s 2024-05-19 17:49:18,689 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 365700 73140 70.094 -28489 7682.4 -36171 -36171 6.2187 -10.412 0.99022 6.9333e+05 2024-05-19 17:49:53,898 INFO [main.py:798]
{rank 0/64} MD step = 365800 step time: 00:00:00.377593 Performance: 37.221 ns/day 0.645 hours/ns 2.154 steps/s 2024-05-19 17:50:01,548 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 365800 73160 69.418 -28425 7608.3 -36033 -36033 6.2161 -10.412 0.98943 6.9352e+05 2024-05-19 17:50:35,600 INFO [main.py:798]
{rank 0/64} MD step = 365900 step time: 00:00:00.352206 Performance: 37.222 ns/day 0.645 hours/ns 2.154 steps/s 2024-05-19 17:50:41,978 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 365900 73180 69.578 -28540 7625.9 -36166 -36166 6.2135 -10.411 0.9911 6.937e+05 2024-05-19 17:51:16,139 INFO [main.py:798]
{rank 0/64} MD step = 366000 step time: 00:00:00.350442 Performance: 37.224 ns/day 0.645 hours/ns 2.154 steps/s 2024-05-19 17:51:23,384 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 366000 73200 69.408 -28538 7607.2 -36145 -36145 6.2108 -10.412 0.99267 6.9388e+05 2024-05-19 17:51:57,815 INFO [main.py:798]
{rank 0/64} MD step = 366100 step time: 00:00:00.352905 Performance: 37.225 ns/day 0.645 hours/ns 2.154 steps/s 2024-05-19 17:52:11,720 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 366100 73220 69.88 -28361 7658.9 -36020 -36020 6.2061 -10.412 0.993 6.9411e+05 2024-05-19 17:52:45,900 INFO [main.py:798]
{rank 0/64} MD step = 366200 step time: 00:00:00.336379 Performance: 37.224 ns/day 0.645 hours/ns 2.154 steps/s 2024-05-19 17:52:54,039 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 366200 73240 70.174 -28379 7691.2 -36070 -36070 6.2033 -10.411 0.99386 6.9425e+05 2024-05-19 17:53:27,960 INFO [main.py:798]
{rank 0/64} MD step = 366300 step time: 00:00:00.343856 Performance: 37.225 ns/day 0.645 hours/ns 2.154 steps/s 2024-05-19 17:53:32,767 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 366300 73260 69.823 -28337 7652.7 -35989 -35989 6.2011 -10.41 0.99383 6.9445e+05 2024-05-19 17:54:09,359 INFO [main.py:798]
{rank 0/64} MD step = 366400 step time: 00:00:00.337317 Performance: 37.226 ns/day 0.645 hours/ns 2.154 steps/s 2024-05-19 17:54:20,666 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 366400 73280 70.326 -28420 7707.8 -36128 -36128 6.2001 -10.413 0.99412 6.9461e+05 2024-05-19 17:54:55,000 INFO [main.py:798]
{rank 0/64} MD step = 366500 step time: 00:00:00.362015 Performance: 37.227 ns/day 0.645 hours/ns 2.154 steps/s 2024-05-19 17:55:01,730 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 366500 73300 70.007 -28577 7672.8 -36250 -36250 6.1959 -10.412 0.99429 6.948e+05 2024-05-19 17:55:36,914 INFO [main.py:798]
{rank 0/64} MD step = 366600 step time: 00:00:00.374608 Performance: 37.228 ns/day 0.645 hours/ns 2.154 steps/s 2024-05-19 17:55:45,130 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 366600 73320 70.472 -28181 7723.8 -35905 -35905 6.1917 -10.412 0.99388 6.9503e+05 2024-05-19 17:56:20,039 INFO [main.py:798]
{rank 0/64} MD step = 366700 step time: 00:00:00.352480 Performance: 37.228 ns/day 0.645 hours/ns 2.154 steps/s 2024-05-19 17:56:31,795 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 366700 73340 70.825 -28457 7762.5 -36220 -36220 6.1898 -10.413 0.99428 6.9516e+05 2024-05-19 17:57:06,346 INFO [main.py:798]
{rank 0/64} MD step = 366800 step time: 00:00:00.349848 Performance: 37.228 ns/day 0.645 hours/ns 2.154 steps/s 2024-05-19 17:57:13,878 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 366800 73360 70.938 -28264 7774.9 -36039 -36039 6.1867 -10.413 0.99522 6.9536e+05 2024-05-19 17:57:48,395 INFO [main.py:798]
{rank 0/64} MD step = 366900 step time: 00:00:00.352199 Performance: 37.229 ns/day 0.645 hours/ns 2.154 steps/s 2024-05-19 17:57:56,867 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 366900 73380 70.199 -28233 7693.9 -35927 -35927 6.1837 -10.414 0.99455 6.9557e+05 2024-05-19 17:58:31,317 INFO [main.py:798]
{rank 0/64} MD step = 367000 step time: 00:00:00.355471 Performance: 37.230 ns/day 0.645 hours/ns 2.155 steps/s 2024-05-19 17:58:39,147 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367000 73400 69.413 -28618 7607.7 -36226 -36226 6.1815 -10.415 0.99597 6.9571e+05 2024-05-19 17:59:14,861 INFO [main.py:798]
{rank 0/64} MD step = 367100 step time: 00:00:00.379062 Performance: 37.231 ns/day 0.645 hours/ns 2.155 steps/s 2024-05-19 17:59:21,809 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367100 73420 68.758 -28473 7536 -36009 -36009 6.1788 -10.415 0.99539 6.959e+05 2024-05-19 17:59:57,158 INFO [main.py:798]
{rank 0/64} MD step = 367200 step time: 00:00:00.377149 Performance: 37.232 ns/day 0.645 hours/ns 2.155 steps/s 2024-05-19 18:00:02,517 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367200 73440 70.59 -28280 7736.7 -36017 -36017 6.1754 -10.415 0.99588 6.9609e+05 2024-05-19 18:00:37,042 INFO [main.py:798]
{rank 0/64} MD step = 367300 step time: 00:00:00.343112 Performance: 37.233 ns/day 0.645 hours/ns 2.155 steps/s 2024-05-19 18:00:41,588 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367300 73460 69.961 -28356 7667.9 -36024 -36024 6.1722 -10.416 0.99636 6.963e+05 2024-05-19 18:01:17,823 INFO [main.py:798]
{rank 0/64} MD step = 367400 step time: 00:00:00.349301 Performance: 37.234 ns/day 0.645 hours/ns 2.155 steps/s 2024-05-19 18:01:24,060 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367400 73480 70.297 -28203 7704.6 -35907 -35907 6.1685 -10.416 0.99588 6.9651e+05 2024-05-19 18:01:57,469 INFO [main.py:798]
{rank 0/64} MD step = 367500 step time: 00:00:00.325502 Performance: 37.236 ns/day 0.645 hours/ns 2.155 steps/s 2024-05-19 18:02:03,745 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367500 73500 70.843 -28193 7764.4 -35958 -35958 6.1643 -10.417 0.99638 6.9664e+05 2024-05-19 18:02:39,376 INFO [main.py:798]
{rank 0/64} MD step = 367600 step time: 00:00:00.333143 Performance: 37.237 ns/day 0.645 hours/ns 2.155 steps/s 2024-05-19 18:02:45,058 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367600 73520 69.389 -28281 7605.1 -35887 -35887 6.1612 -10.416 0.99741 6.9685e+05 2024-05-19 18:03:19,827 INFO [main.py:798]
{rank 0/64} MD step = 367700 step time: 00:00:00.326701 Performance: 37.238 ns/day 0.645 hours/ns 2.155 steps/s 2024-05-19 18:03:25,950 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367700 73540 69.182 -28436 7582.4 -36018 -36018 6.1568 -10.416 0.99624 6.9706e+05 2024-05-19 18:04:00,415 INFO [main.py:798]
{rank 0/64} MD step = 367800 step time: 00:00:00.328625 Performance: 37.239 ns/day 0.644 hours/ns 2.155 steps/s 2024-05-19 18:04:06,703 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367800 73560 71.224 -28340 7806.2 -36146 -36146 6.1554 -10.417 0.99554 6.9722e+05 2024-05-19 18:04:41,211 INFO [main.py:798]
{rank 0/64} MD step = 367900 step time: 00:00:00.332844 Performance: 37.241 ns/day 0.644 hours/ns 2.155 steps/s 2024-05-19 18:04:51,528 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367900 73580 70.315 -28474 7706.6 -36181 -36181 6.1529 -10.416 0.99703 6.9742e+05 2024-05-19 18:05:27,475 INFO [main.py:798]
{rank 0/64} MD step = 368000 step time: 00:00:00.351518 Performance: 37.241 ns/day 0.644 hours/ns 2.155 steps/s 2024-05-19 18:05:33,174 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 368000 73600 69.476 -28508 7614.7 -36122 -36122 6.1504 -10.417 0.99833 6.9762e+05 2024-05-19 18:06:07,550 INFO [main.py:798]
{rank 0/64} MD step = 368100 step time: 00:00:00.349151 Performance: 37.242 ns/day 0.644 hours/ns 2.155 steps/s 2024-05-19 18:06:16,521 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 368100 73620 70.196 -28574 7693.5 -36267 -36267 6.1498 -10.418 0.99949 6.9778e+05 2024-05-19 18:06:51,080 INFO [main.py:798]
{rank 0/64} MD step = 368200 step time: 00:00:00.343950 Performance: 37.243 ns/day 0.644 hours/ns 2.155 steps/s 2024-05-19 18:06:57,030 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 368200 73640 70.017 -28580 7673.9 -36253 -36253 6.148 -10.419 0.99918 6.9796e+05 2024-05-19 18:07:30,806 INFO [main.py:798]
{rank 0/64} MD step = 368300 step time: 00:00:00.336230 Performance: 37.244 ns/day 0.644 hours/ns 2.155 steps/s 2024-05-19 18:07:37,009 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 368300 73660 69.861 -28377 7656.9 -36034 -36034 6.1442 -10.419 0.99988 6.9818e+05 2024-05-19 18:08:10,895 INFO [main.py:798]
{rank 0/64} MD step = 368400 step time: 00:00:00.340393 Performance: 37.245 ns/day 0.644 hours/ns 2.155 steps/s 2024-05-19 18:08:17,213 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 368400 73680 71.428 -28335 7828.6 -36164 -36164 6.1405 -10.418 0.99918 6.9838e+05 2024-05-19 18:08:51,572 INFO [main.py:798]
{rank 0/64} MD step = 368500 step time: 00:00:00.337665 Performance: 37.247 ns/day 0.644 hours/ns 2.155 steps/s 2024-05-19 18:08:59,115 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 368500 73700 69.744 -28396 7644.1 -36040 -36040 6.137 -10.417 0.99888 6.986e+05 2024-05-19 18:09:33,235 INFO [main.py:798]
{rank 0/64} MD step = 368600 step time: 00:00:00.349289 Performance: 37.248 ns/day 0.644 hours/ns 2.156 steps/s 2024-05-19 18:09:39,127 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 368600 73720 70.405 -28400 7716.5 -36116 -36116 6.1325 -10.415 0.99865 6.9875e+05 2024-05-19 18:10:13,420 INFO [main.py:798]
{rank 0/64} MD step = 368700 step time: 00:00:00.341826 Performance: 37.249 ns/day 0.644 hours/ns 2.156 steps/s 2024-05-19 18:10:20,203 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 368700 73740 71.184 -28295 7801.9 -36097 -36097 6.1283 -10.416 0.998 6.9894e+05 2024-05-19 18:10:55,157 INFO [main.py:798]
{rank 0/64} MD step = 368800 step time: 00:00:00.336094 Performance: 37.250 ns/day 0.644 hours/ns 2.156 steps/s 2024-05-19 18:11:01,425 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 368800 73760 70.737 -28381 7752.8 -36134 -36134 6.1242 -10.416 0.99897 6.9911e+05 2024-05-19 18:11:36,121 INFO [main.py:798]
{rank 0/64} MD step = 368900 step time: 00:00:00.356827 Performance: 37.251 ns/day 0.644 hours/ns 2.156 steps/s 2024-05-19 18:11:44,129 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 368900 73780 71.156 -28384 7798.8 -36183 -36183 6.121 -10.416 1.0005 6.9932e+05 2024-05-19 18:12:18,860 INFO [main.py:798]
{rank 0/64} MD step = 369000 step time: 00:00:00.349442 Performance: 37.252 ns/day 0.644 hours/ns 2.156 steps/s 2024-05-19 18:12:25,455 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369000 73800 70.65 -28353 7743.4 -36096 -36096 6.1196 -10.414 0.99946 6.9952e+05 2024-05-19 18:13:00,246 INFO [main.py:798]
{rank 0/64} MD step = 369100 step time: 00:00:00.339786 Performance: 37.253 ns/day 0.644 hours/ns 2.156 steps/s 2024-05-19 18:13:06,494 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369100 73820 69.248 -28428 7589.7 -36018 -36018 6.1169 -10.415 0.99914 6.997e+05 2024-05-19 18:13:40,739 INFO [main.py:798]
{rank 0/64} MD step = 369200 step time: 00:00:00.353077 Performance: 37.254 ns/day 0.644 hours/ns 2.156 steps/s 2024-05-19 18:13:45,656 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369200 73840 69.562 -28615 7624.1 -36239 -36239 6.1148 -10.415 0.99861 6.9987e+05 2024-05-19 18:14:22,516 INFO [main.py:798]
{rank 0/64} MD step = 369300 step time: 00:00:00.371952 Performance: 37.255 ns/day 0.644 hours/ns 2.156 steps/s 2024-05-19 18:14:28,545 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369300 73860 70.283 -28430 7703.1 -36133 -36133 6.1134 -10.416 0.99966 7.0009e+05 2024-05-19 18:15:02,885 INFO [main.py:798]
{rank 0/64} MD step = 369400 step time: 00:00:00.353629 Performance: 37.257 ns/day 0.644 hours/ns 2.156 steps/s 2024-05-19 18:15:08,424 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369400 73880 69.119 -28437 7575.5 -36012 -36012 6.109 -10.415 0.99845 7.0028e+05 2024-05-19 18:15:43,538 INFO [main.py:798]
{rank 0/64} MD step = 369500 step time: 00:00:00.365452 Performance: 37.258 ns/day 0.644 hours/ns 2.156 steps/s 2024-05-19 18:15:47,831 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369500 73900 69.228 -28339 7587.5 -35927 -35927 6.1042 -10.416 0.99865 7.0051e+05 2024-05-19 18:16:23,717 INFO [main.py:798]
{rank 0/64} MD step = 369600 step time: 00:00:00.351786 Performance: 37.259 ns/day 0.644 hours/ns 2.156 steps/s 2024-05-19 18:16:29,331 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369600 73920 69.762 -28318 7646 -35964 -35964 6.1018 -10.415 0.99901 7.0066e+05 2024-05-19 18:17:04,513 INFO [main.py:798]
{rank 0/64} MD step = 369700 step time: 00:00:00.348404 Performance: 37.260 ns/day 0.644 hours/ns 2.156 steps/s 2024-05-19 18:17:10,587 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369700 73940 69.519 -28425 7619.4 -36044 -36044 6.1001 -10.415 1.001 7.0085e+05 2024-05-19 18:17:46,094 INFO [main.py:798]
{rank 0/64} MD step = 369800 step time: 00:00:00.369547 Performance: 37.262 ns/day 0.644 hours/ns 2.156 steps/s 2024-05-19 18:17:51,609 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369800 73960 69.15 -28601 7578.9 -36180 -36180 6.0975 -10.414 1.0014 7.0105e+05 2024-05-19 18:18:25,935 INFO [main.py:798]
{rank 0/64} MD step = 369900 step time: 00:00:00.342227 Performance: 37.263 ns/day 0.644 hours/ns 2.156 steps/s 2024-05-19 18:18:33,242 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369900 73980 70.202 -28367 7694.2 -36061 -36061 6.0949 -10.415 1.0017 7.0121e+05 2024-05-19 18:19:09,774 INFO [main.py:798]
{rank 0/64} MD step = 370000 step time: 00:00:00.356779 Performance: 37.264 ns/day 0.644 hours/ns 2.156 steps/s 2024-05-19 18:19:19,993 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370000 74000 69.984 -28387 7670.3 -36057 -36057 6.0912 -10.415 1.0027 7.0137e+05 2024-05-19 18:19:53,502 INFO [main.py:798]
{rank 0/64} MD step = 370100 step time: 00:00:00.328369 Performance: 37.264 ns/day 0.644 hours/ns 2.156 steps/s 2024-05-19 18:20:01,754 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370100 74020 70.748 -28271 7754.1 -36025 -36025 6.088 -10.416 1.0023 7.0156e+05 2024-05-19 18:20:36,291 INFO [main.py:798]
{rank 0/64} MD step = 370200 step time: 00:00:00.330307 Performance: 37.265 ns/day 0.644 hours/ns 2.157 steps/s 2024-05-19 18:20:43,560 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370200 74040 71.133 -28167 7796.3 -35963 -35963 6.0842 -10.416 1.0022 7.0174e+05 2024-05-19 18:21:17,999 INFO [main.py:798]
{rank 0/64} MD step = 370300 step time: 00:00:00.329711 Performance: 37.266 ns/day 0.644 hours/ns 2.157 steps/s 2024-05-19 18:21:22,683 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370300 74060 69.953 -28399 7667 -36066 -36066 6.0812 -10.416 1.0026 7.0192e+05 2024-05-19 18:21:58,261 INFO [main.py:798]
{rank 0/64} MD step = 370400 step time: 00:00:00.328548 Performance: 37.267 ns/day 0.644 hours/ns 2.157 steps/s 2024-05-19 18:22:09,840 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370400 74080 69.744 -28512 7644 -36156 -36156 6.0779 -10.416 1.0027 7.0213e+05 2024-05-19 18:22:44,227 INFO [main.py:798]
{rank 0/64} MD step = 370500 step time: 00:00:00.330974 Performance: 37.267 ns/day 0.644 hours/ns 2.157 steps/s 2024-05-19 18:22:50,698 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370500 74100 69.111 -28499 7574.7 -36074 -36074 6.0743 -10.415 1.0047 7.0234e+05 2024-05-19 18:23:25,164 INFO [main.py:798]
{rank 0/64} MD step = 370600 step time: 00:00:00.344379 Performance: 37.268 ns/day 0.644 hours/ns 2.157 steps/s 2024-05-19 18:23:31,201 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370600 74120 69.655 -28267 7634.3 -35901 -35901 6.0708 -10.416 1.0058 7.0255e+05 2024-05-19 18:24:06,259 INFO [main.py:798]
{rank 0/64} MD step = 370700 step time: 00:00:00.344464 Performance: 37.270 ns/day 0.644 hours/ns 2.157 steps/s 2024-05-19 18:24:11,744 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370700 74140 69.655 -28244 7634.3 -35878 -35878 6.0668 -10.415 1.0056 7.0276e+05 2024-05-19 18:24:48,245 INFO [main.py:798]
{rank 0/64} MD step = 370800 step time: 00:00:00.376300 Performance: 37.271 ns/day 0.644 hours/ns 2.157 steps/s 2024-05-19 18:24:55,078 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370800 74160 70.381 -28358 7713.9 -36072 -36072 6.0636 -10.414 1.0047 7.0294e+05 2024-05-19 18:25:29,971 INFO [main.py:798]
{rank 0/64} MD step = 370900 step time: 00:00:00.351581 Performance: 37.272 ns/day 0.644 hours/ns 2.157 steps/s 2024-05-19 18:25:35,451 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370900 74180 70.461 -28261 7722.6 -35983 -35983 6.0594 -10.414 1.0068 7.0313e+05 2024-05-19 18:26:10,438 INFO [main.py:798]
{rank 0/64} MD step = 371000 step time: 00:00:00.346614 Performance: 37.273 ns/day 0.644 hours/ns 2.157 steps/s 2024-05-19 18:26:17,627 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 371000 74200 70.301 -28430 7705.1 -36135 -36135 6.0568 -10.414 1.0082 7.0331e+05 2024-05-19 18:26:52,399 INFO [main.py:798]
{rank 0/64} MD step = 371100 step time: 00:00:00.351991 Performance: 37.274 ns/day 0.644 hours/ns 2.157 steps/s 2024-05-19 18:26:59,287 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 371100 74220 70.237 -28460 7698.1 -36158 -36158 6.0551 -10.415 1.0069 7.035e+05 2024-05-19 18:27:34,347 INFO [main.py:798]
{rank 0/64} MD step = 371200 step time: 00:00:00.371098 Performance: 37.275 ns/day 0.644 hours/ns 2.157 steps/s 2024-05-19 18:27:41,125 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 371200 74240 70.135 -28238 7686.9 -35925 -35925 6.05 -10.415 1.005 7.037e+05 2024-05-19 18:28:17,951 INFO [main.py:798]
{rank 0/64} MD step = 371300 step time: 00:00:00.367760 Performance: 37.275 ns/day 0.644 hours/ns 2.157 steps/s 2024-05-19 18:28:24,219 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 371300 74260 70.27 -28387 7701.7 -36089 -36089 6.0489 -10.415 1.0061 7.0387e+05 2024-05-19 18:28:59,190 INFO [main.py:798]
{rank 0/64} MD step = 371400 step time: 00:00:00.353391 Performance: 37.276 ns/day 0.644 hours/ns 2.157 steps/s 2024-05-19 18:29:05,641 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 371400 74280 70.353 -28347 7710.8 -36058 -36058 6.0461 -10.415 1.0067 7.0403e+05 2024-05-19 18:29:40,280 INFO [main.py:798]
{rank 0/64} MD step = 371500 step time: 00:00:00.343258 Performance: 37.278 ns/day 0.644 hours/ns 2.157 steps/s 2024-05-19 18:29:48,501 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 371500 74300 69.564 -28407 7624.3 -36031 -36031 6.0429 -10.416 1.0058 7.0426e+05 2024-05-19 18:30:25,121 INFO [main.py:798]
{rank 0/64} MD step = 371600 step time: 00:00:00.378527 Performance: 37.278 ns/day 0.644 hours/ns 2.157 steps/s 2024-05-19 18:30:30,270 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 371600 74320 69.391 -28482 7605.3 -36087 -36087 6.038 -10.417 1.0043 7.0445e+05 2024-05-19 18:31:05,185 INFO [main.py:798]
{rank 0/64} MD step = 371700 step time: 00:00:00.337497 Performance: 37.279 ns/day 0.644 hours/ns 2.157 steps/s 2024-05-19 18:31:10,665 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 371700 74340 69.308 -28508 7596.3 -36104 -36104 6.0342 -10.418 1.0055 7.046e+05 2024-05-19 18:31:45,187 INFO [main.py:798]
{rank 0/64} MD step = 371800 step time: 00:00:00.348301 Performance: 37.281 ns/day 0.644 hours/ns 2.157 steps/s 2024-05-19 18:31:54,584 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 371800 74360 69.715 -28373 7640.9 -36014 -36014 6.0307 -10.418 1.0051 7.0482e+05 2024-05-19 18:32:31,216 INFO [main.py:798]
{rank 0/64} MD step = 371900 step time: 00:00:00.325799 Performance: 37.281 ns/day 0.644 hours/ns 2.157 steps/s 2024-05-19 18:32:36,538 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 371900 74380 70.205 -28274 7694.5 -35968 -35968 6.0283 -10.418 1.0055 7.0502e+05 2024-05-19 18:33:11,478 INFO [main.py:798]
{rank 0/64} MD step = 372000 step time: 00:00:00.325304 Performance: 37.282 ns/day 0.644 hours/ns 2.158 steps/s 2024-05-19 18:33:18,437 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372000 74400 70.716 -28260 7750.6 -36010 -36010 6.0249 -10.418 1.0059 7.0519e+05 2024-05-19 18:33:53,762 INFO [main.py:798]
{rank 0/64} MD step = 372100 step time: 00:00:00.331282 Performance: 37.283 ns/day 0.644 hours/ns 2.158 steps/s 2024-05-19 18:33:59,732 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372100 74420 69.748 -28156 7644.5 -35801 -35801 6.0231 -10.417 1.0067 7.0542e+05 2024-05-19 18:34:32,801 INFO [main.py:798]
{rank 0/64} MD step = 372200 step time: 00:00:00.342799 Performance: 37.284 ns/day 0.644 hours/ns 2.158 steps/s 2024-05-19 18:34:40,828 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372200 74440 70.838 -28164 7763.9 -35928 -35928 6.0217 -10.417 1.0073 7.0557e+05 2024-05-19 18:35:15,503 INFO [main.py:798]
{rank 0/64} MD step = 372300 step time: 00:00:00.332627 Performance: 37.285 ns/day 0.644 hours/ns 2.158 steps/s 2024-05-19 18:35:20,614 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372300 74460 72.228 -28043 7916.3 -35960 -35960 6.0178 -10.415 1.0084 7.0577e+05 2024-05-19 18:35:54,850 INFO [main.py:798]
{rank 0/64} MD step = 372400 step time: 00:00:00.356619 Performance: 37.287 ns/day 0.644 hours/ns 2.158 steps/s 2024-05-19 18:36:00,940 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372400 74480 70.949 -28006 7776.1 -35782 -35782 6.0147 -10.416 1.0086 7.0597e+05 2024-05-19 18:36:35,104 INFO [main.py:798]
{rank 0/64} MD step = 372500 step time: 00:00:00.332276 Performance: 37.288 ns/day 0.644 hours/ns 2.158 steps/s 2024-05-19 18:36:43,248 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372500 74500 69.79 -28180 7649.1 -35829 -35829 6.0122 -10.414 1.0079 7.0617e+05 2024-05-19 18:37:17,608 INFO [main.py:798]
{rank 0/64} MD step = 372600 step time: 00:00:00.351800 Performance: 37.289 ns/day 0.644 hours/ns 2.158 steps/s 2024-05-19 18:37:24,317 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372600 74520 71.415 -28056 7827.2 -35884 -35884 6.0091 -10.415 1.0074 7.0636e+05 2024-05-19 18:37:59,463 INFO [main.py:798]
{rank 0/64} MD step = 372700 step time: 00:00:00.350322 Performance: 37.290 ns/day 0.644 hours/ns 2.158 steps/s 2024-05-19 18:38:04,765 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372700 74540 69.865 -28450 7657.3 -36108 -36108 6.0073 -10.415 1.0078 7.0651e+05 2024-05-19 18:38:39,358 INFO [main.py:798]
{rank 0/64} MD step = 372800 step time: 00:00:00.335246 Performance: 37.291 ns/day 0.644 hours/ns 2.158 steps/s 2024-05-19 18:38:52,744 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372800 74560 71.209 -28362 7804.6 -36167 -36167 6.0055 -10.416 1.0074 7.0668e+05 2024-05-19 18:39:28,201 INFO [main.py:798]
{rank 0/64} MD step = 372900 step time: 00:00:00.335918 Performance: 37.291 ns/day 0.644 hours/ns 2.158 steps/s 2024-05-19 18:39:35,343 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372900 74580 70.037 -28345 7676.1 -36021 -36021 6.0021 -10.416 1.0077 7.0686e+05 2024-05-19 18:40:10,946 INFO [main.py:798]
{rank 0/64} MD step = 373000 step time: 00:00:00.370712 Performance: 37.292 ns/day 0.644 hours/ns 2.158 steps/s 2024-05-19 18:40:17,159 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 373000 74600 70.238 -28141 7698.1 -35839 -35839 6.0003 -10.415 1.0099 7.0707e+05 2024-05-19 18:40:51,010 INFO [main.py:798]
{rank 0/64} MD step = 373100 step time: 00:00:00.349366 Performance: 37.293 ns/day 0.644 hours/ns 2.158 steps/s 2024-05-19 18:40:56,396 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 373100 74620 70.018 -28195 7674.1 -35869 -35869 5.9967 -10.415 1.0118 7.0724e+05 2024-05-19 18:41:31,607 INFO [main.py:798]
{rank 0/64} MD step = 373200 step time: 00:00:00.347574 Performance: 37.294 ns/day 0.644 hours/ns 2.158 steps/s 2024-05-19 18:41:37,150 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 373200 74640 70.78 -28207 7757.6 -35965 -35965 5.9941 -10.416 1.0115 7.0745e+05 2024-05-19 18:42:11,811 INFO [main.py:798]
{rank 0/64} MD step = 373300 step time: 00:00:00.343671 Performance: 37.295 ns/day 0.644 hours/ns 2.158 steps/s 2024-05-19 18:42:19,095 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 373300 74660 69.064 -28477 7569.5 -36047 -36047 5.9916 -10.417 1.0122 7.0761e+05 2024-05-19 18:42:53,950 INFO [main.py:798]
{rank 0/64} MD step = 373400 step time: 00:00:00.351650 Performance: 37.296 ns/day 0.643 hours/ns 2.158 steps/s 2024-05-19 18:43:04,708 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 373400 74680 70.914 -28206 7772.3 -35978 -35978 5.9859 -10.418 1.0136 7.0783e+05 2024-05-19 18:43:38,867 INFO [main.py:798]
{rank 0/64} MD step = 373500 step time: 00:00:00.336932 Performance: 37.297 ns/day 0.643 hours/ns 2.158 steps/s 2024-05-19 18:43:45,457 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 373500 74700 69.567 -28272 7624.6 -35896 -35896 5.9818 -10.418 1.0148 7.0801e+05 2024-05-19 18:44:20,449 INFO [main.py:798]
{rank 0/64} MD step = 373600 step time: 00:00:00.371468 Performance: 37.298 ns/day 0.643 hours/ns 2.158 steps/s 2024-05-19 18:44:26,924 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 373600 74720 69.683 -28168 7637.3 -35806 -35806 5.9773 -10.417 1.0148 7.0823e+05 2024-05-19 18:45:01,275 INFO [main.py:798]
{rank 0/64} MD step = 373700 step time: 00:00:00.334069 Performance: 37.299 ns/day 0.643 hours/ns 2.158 steps/s 2024-05-19 18:45:07,170 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 373700 74740 69.764 -28213 7646.2 -35859 -35859 5.9728 -10.417 1.0145 7.084e+05 2024-05-19 18:45:41,928 INFO [main.py:798]
{rank 0/64} MD step = 373800 step time: 00:00:00.353681 Performance: 37.300 ns/day 0.643 hours/ns 2.159 steps/s 2024-05-19 18:45:47,530 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 373800 74760 70.1 -28218 7683 -35901 -35901 5.9709 -10.416 1.015 7.086e+05 2024-05-19 18:46:22,566 INFO [main.py:798]
{rank 0/64} MD step = 373900 step time: 00:00:00.356199 Performance: 37.301 ns/day 0.643 hours/ns 2.159 steps/s 2024-05-19 18:46:28,323 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 373900 74780 70.37 -28231 7712.6 -35943 -35943 5.9663 -10.417 1.0158 7.0879e+05 2024-05-19 18:47:02,947 INFO [main.py:798]
{rank 0/64} MD step = 374000 step time: 00:00:00.355358 Performance: 37.303 ns/day 0.643 hours/ns 2.159 steps/s 2024-05-19 18:47:15,453 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 374000 74800 69.811 -28239 7651.4 -35890 -35890 5.9643 -10.418 1.0148 7.0899e+05 2024-05-19 18:47:49,644 INFO [main.py:798]
{rank 0/64} MD step = 374100 step time: 00:00:00.342701 Performance: 37.303 ns/day 0.643 hours/ns 2.159 steps/s 2024-05-19 18:47:56,419 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 374100 74820 68.517 -28399 7509.6 -35908 -35908 5.9615 -10.418 1.0139 7.0917e+05 2024-05-19 18:48:30,894 INFO [main.py:798]
{rank 0/64} MD step = 374200 step time: 00:00:00.352246 Performance: 37.304 ns/day 0.643 hours/ns 2.159 steps/s 2024-05-19 18:48:37,546 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 374200 74840 68.664 -28351 7525.7 -35877 -35877 5.9581 -10.418 1.015 7.0938e+05 2024-05-19 18:49:13,090 INFO [main.py:798]
{rank 0/64} MD step = 374300 step time: 00:00:00.350054 Performance: 37.304 ns/day 0.643 hours/ns 2.159 steps/s 2024-05-19 18:49:19,943 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 374300 74860 70.445 -28244 7720.8 -35965 -35965 5.9559 -10.419 1.0168 7.0954e+05 2024-05-19 18:49:54,540 INFO [main.py:798]
{rank 0/64} MD step = 374400 step time: 00:00:00.356610 Performance: 37.306 ns/day 0.643 hours/ns 2.159 steps/s 2024-05-19 18:50:06,221 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 374400 74880 70.308 -28344 7705.8 -36049 -36049 5.9519 -10.42 1.017 7.0975e+05 2024-05-19 18:50:40,634 INFO [main.py:798]
{rank 0/64} MD step = 374500 step time: 00:00:00.351051 Performance: 37.306 ns/day 0.643 hours/ns 2.159 steps/s 2024-05-19 18:50:47,329 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 374500 74900 69.645 -28361 7633.1 -35994 -35994 5.9492 -10.421 1.0165 7.0996e+05 2024-05-19 18:51:22,261 INFO [main.py:798]
{rank 0/64} MD step = 374600 step time: 00:00:00.357393 Performance: 37.307 ns/day 0.643 hours/ns 2.159 steps/s 2024-05-19 18:51:30,211 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 374600 74920 70.181 -28297 7692 -35989 -35989 5.9485 -10.422 1.0167 7.1018e+05 2024-05-19 18:52:04,513 INFO [main.py:798]
{rank 0/64} MD step = 374700 step time: 00:00:00.351090 Performance: 37.307 ns/day 0.643 hours/ns 2.159 steps/s 2024-05-19 18:52:12,009 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 374700 74940 69.976 -28391 7669.5 -36060 -36060 5.9452 -10.422 1.0158 7.1032e+05 2024-05-19 18:52:45,474 INFO [main.py:798]
{rank 0/64} MD step = 374800 step time: 00:00:00.351628 Performance: 37.309 ns/day 0.643 hours/ns 2.159 steps/s 2024-05-19 18:52:53,050 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 374800 74960 69.983 -28409 7670.2 -36079 -36079 5.9436 -10.423 1.0146 7.1055e+05 2024-05-19 18:53:27,329 INFO [main.py:798]
{rank 0/64} MD step = 374900 step time: 00:00:00.357993 Performance: 37.310 ns/day 0.643 hours/ns 2.159 steps/s 2024-05-19 18:53:35,439 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 374900 74980 70.877 -28264 7768.3 -36032 -36032 5.9408 -10.422 1.0159 7.1074e+05 2024-05-19 18:54:09,680 INFO [main.py:798]
{rank 0/64} MD step = 375000 step time: 00:00:00.339065 Performance: 37.310 ns/day 0.643 hours/ns 2.159 steps/s 2024-05-19 18:54:15,270 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 375000 75000 69.58 -28543 7626.1 -36169 -36169 5.9379 -10.423 1.0157 7.1097e+05 2024-05-19 18:54:49,314 INFO [main.py:798]
{rank 0/64} MD step = 375100 step time: 00:00:00.345135 Performance: 37.312 ns/day 0.643 hours/ns 2.159 steps/s 2024-05-19 18:54:55,456 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 375100 75020 70.838 -28332 7763.9 -36096 -36096 5.9355 -10.423 1.0162 7.1117e+05 2024-05-19 18:55:30,875 INFO [main.py:798]
{rank 0/64} MD step = 375200 step time: 00:00:00.349656 Performance: 37.313 ns/day 0.643 hours/ns 2.159 steps/s 2024-05-19 18:55:36,876 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 375200 75040 69.462 -28487 7613.2 -36100 -36100 5.9348 -10.424 1.0169 7.1134e+05 2024-05-19 18:56:11,038 INFO [main.py:798]
{rank 0/64} MD step = 375300 step time: 00:00:00.350119 Performance: 37.314 ns/day 0.643 hours/ns 2.159 steps/s 2024-05-19 18:56:19,520 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 375300 75060 70.325 -28488 7707.7 -36195 -36195 5.9338 -10.423 1.0182 7.1152e+05 2024-05-19 18:56:54,252 INFO [main.py:798]
{rank 0/64} MD step = 375400 step time: 00:00:00.353064 Performance: 37.315 ns/day 0.643 hours/ns 2.159 steps/s 2024-05-19 18:57:00,569 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 375400 75080 69.075 -28418 7570.7 -35989 -35989 5.9318 -10.422 1.0177 7.1175e+05 2024-05-19 18:57:34,460 INFO [main.py:798]
{rank 0/64} MD step = 375500 step time: 00:00:00.349143 Performance: 37.316 ns/day 0.643 hours/ns 2.160 steps/s 2024-05-19 18:57:40,828 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 375500 75100 69.93 -28536 7664.4 -36200 -36200 5.9305 -10.423 1.0178 7.1189e+05 2024-05-19 18:58:15,774 INFO [main.py:798]
{rank 0/64} MD step = 375600 step time: 00:00:00.338228 Performance: 37.317 ns/day 0.643 hours/ns 2.160 steps/s 2024-05-19 18:58:21,345 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 375600 75120 69.022 -28568 7564.9 -36133 -36133 5.926 -10.423 1.0181 7.121e+05 2024-05-19 18:58:55,436 INFO [main.py:798]
{rank 0/64} MD step = 375700 step time: 00:00:00.343974 Performance: 37.319 ns/day 0.643 hours/ns 2.160 steps/s 2024-05-19 18:59:02,326 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 375700 75140 70.26 -28359 7700.6 -36060 -36060 5.9241 -10.423 1.0184 7.1227e+05 2024-05-19 18:59:36,697 INFO [main.py:798]
{rank 0/64} MD step = 375800 step time: 00:00:00.342567 Performance: 37.320 ns/day 0.643 hours/ns 2.160 steps/s 2024-05-19 18:59:42,669 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 375800 75160 68.613 -28707 7520 -36227 -36227 5.9208 -10.424 1.0195 7.1245e+05 2024-05-19 19:00:16,780 INFO [main.py:798]
{rank 0/64} MD step = 375900 step time: 00:00:00.338271 Performance: 37.321 ns/day 0.643 hours/ns 2.160 steps/s 2024-05-19 19:00:23,085 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 375900 75180 69.085 -28672 7571.8 -36244 -36244 5.9163 -10.423 1.0216 7.1264e+05 2024-05-19 19:00:58,379 INFO [main.py:798]
{rank 0/64} MD step = 376000 step time: 00:00:00.341306 Performance: 37.322 ns/day 0.643 hours/ns 2.160 steps/s 2024-05-19 19:01:05,191 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376000 75200 70.039 -28449 7676.3 -36126 -36126 5.9132 -10.422 1.0221 7.1283e+05 2024-05-19 19:01:40,128 INFO [main.py:798]
{rank 0/64} MD step = 376100 step time: 00:00:00.373635 Performance: 37.323 ns/day 0.643 hours/ns 2.160 steps/s 2024-05-19 19:01:45,157 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376100 75220 70.647 -28612 7743 -36355 -36355 5.9107 -10.422 1.0233 7.1301e+05 2024-05-19 19:02:21,058 INFO [main.py:798]
{rank 0/64} MD step = 376200 step time: 00:00:00.359861 Performance: 37.324 ns/day 0.643 hours/ns 2.160 steps/s 2024-05-19 19:02:27,785 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376200 75240 70.544 -28464 7731.7 -36196 -36196 5.908 -10.423 1.0246 7.1319e+05 2024-05-19 19:03:01,711 INFO [main.py:798]
{rank 0/64} MD step = 376300 step time: 00:00:00.334238 Performance: 37.325 ns/day 0.643 hours/ns 2.160 steps/s 2024-05-19 19:03:08,347 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376300 75260 70.241 -28475 7698.5 -36173 -36173 5.9054 -10.422 1.0261 7.1339e+05 2024-05-19 19:03:42,400 INFO [main.py:798]
{rank 0/64} MD step = 376400 step time: 00:00:00.336233 Performance: 37.327 ns/day 0.643 hours/ns 2.160 steps/s 2024-05-19 19:03:48,714 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376400 75280 70.211 -28442 7695.2 -36137 -36137 5.9013 -10.423 1.0261 7.1359e+05 2024-05-19 19:04:23,127 INFO [main.py:798]
{rank 0/64} MD step = 376500 step time: 00:00:00.353048 Performance: 37.328 ns/day 0.643 hours/ns 2.160 steps/s 2024-05-19 19:04:29,521 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376500 75300 70.099 -28387 7683 -36070 -36070 5.8985 -10.422 1.0292 7.1381e+05 2024-05-19 19:05:03,871 INFO [main.py:798]
{rank 0/64} MD step = 376600 step time: 00:00:00.348617 Performance: 37.329 ns/day 0.643 hours/ns 2.160 steps/s 2024-05-19 19:05:09,537 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376600 75320 70.87 -28272 7767.5 -36039 -36039 5.8966 -10.424 1.0293 7.1401e+05 2024-05-19 19:05:44,492 INFO [main.py:798]
{rank 0/64} MD step = 376700 step time: 00:00:00.374920 Performance: 37.330 ns/day 0.643 hours/ns 2.160 steps/s 2024-05-19 19:05:49,517 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376700 75340 70.828 -28290 7762.9 -36053 -36053 5.8962 -10.423 1.029 7.1422e+05 2024-05-19 19:06:24,074 INFO [main.py:798]
{rank 0/64} MD step = 376800 step time: 00:00:00.351635 Performance: 37.332 ns/day 0.643 hours/ns 2.160 steps/s 2024-05-19 19:06:29,441 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376800 75360 70.767 -28392 7756.1 -36148 -36148 5.894 -10.423 1.0297 7.1442e+05 2024-05-19 19:07:03,680 INFO [main.py:798]
{rank 0/64} MD step = 376900 step time: 00:00:00.328743 Performance: 37.333 ns/day 0.643 hours/ns 2.160 steps/s 2024-05-19 19:07:09,502 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376900 75380 69.212 -28404 7585.8 -35990 -35990 5.8917 -10.424 1.0324 7.1461e+05 2024-05-19 19:07:43,288 INFO [main.py:798]
{rank 0/64} MD step = 377000 step time: 00:00:00.349998 Performance: 37.335 ns/day 0.643 hours/ns 2.161 steps/s 2024-05-19 19:07:48,967 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377000 75400 69.444 -28417 7611.2 -36028 -36028 5.8877 -10.423 1.0334 7.1482e+05 2024-05-19 19:08:23,911 INFO [main.py:798]
{rank 0/64} MD step = 377100 step time: 00:00:00.350423 Performance: 37.336 ns/day 0.643 hours/ns 2.161 steps/s 2024-05-19 19:08:30,598 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377100 75420 71.838 -28123 7873.6 -35996 -35996 5.8852 -10.423 1.0351 7.15e+05 2024-05-19 19:09:04,622 INFO [main.py:798]
{rank 0/64} MD step = 377200 step time: 00:00:00.353477 Performance: 37.337 ns/day 0.643 hours/ns 2.161 steps/s 2024-05-19 19:09:12,180 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377200 75440 70.279 -28246 7702.7 -35949 -35949 5.8804 -10.423 1.038 7.1523e+05 2024-05-19 19:09:46,662 INFO [main.py:798]
{rank 0/64} MD step = 377300 step time: 00:00:00.348207 Performance: 37.338 ns/day 0.643 hours/ns 2.161 steps/s 2024-05-19 19:09:56,737 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377300 75460 69.709 -28391 7640.2 -36031 -36031 5.8778 -10.425 1.0377 7.154e+05 2024-05-19 19:10:31,182 INFO [main.py:798]
{rank 0/64} MD step = 377400 step time: 00:00:00.342028 Performance: 37.338 ns/day 0.643 hours/ns 2.161 steps/s 2024-05-19 19:10:37,503 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377400 75480 70.074 -28349 7680.2 -36029 -36029 5.8756 -10.425 1.0392 7.1562e+05 2024-05-19 19:11:11,907 INFO [main.py:798]
{rank 0/64} MD step = 377500 step time: 00:00:00.345435 Performance: 37.339 ns/day 0.643 hours/ns 2.161 steps/s 2024-05-19 19:11:18,358 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377500 75500 69.811 -28567 7651.4 -36218 -36218 5.8736 -10.425 1.0403 7.1579e+05 2024-05-19 19:11:52,799 INFO [main.py:798]
{rank 0/64} MD step = 377600 step time: 00:00:00.333149 Performance: 37.341 ns/day 0.643 hours/ns 2.161 steps/s 2024-05-19 19:11:58,632 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377600 75520 70.638 -28416 7742 -36158 -36158 5.8703 -10.426 1.0413 7.1597e+05 2024-05-19 19:12:33,037 INFO [main.py:798]
{rank 0/64} MD step = 377700 step time: 00:00:00.356387 Performance: 37.342 ns/day 0.643 hours/ns 2.161 steps/s 2024-05-19 19:12:41,555 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377700 75540 70.412 -28354 7717.2 -36071 -36071 5.8664 -10.428 1.0422 7.162e+05 2024-05-19 19:13:16,001 INFO [main.py:798]
{rank 0/64} MD step = 377800 step time: 00:00:00.346448 Performance: 37.343 ns/day 0.643 hours/ns 2.161 steps/s 2024-05-19 19:13:23,416 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377800 75560 69.71 -28408 7640.3 -36048 -36048 5.8606 -10.429 1.0411 7.1636e+05 2024-05-19 19:13:57,553 INFO [main.py:798]
{rank 0/64} MD step = 377900 step time: 00:00:00.333887 Performance: 37.344 ns/day 0.643 hours/ns 2.161 steps/s 2024-05-19 19:14:06,242 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377900 75580 70.36 -28504 7711.6 -36216 -36216 5.8597 -10.428 1.0418 7.1654e+05 2024-05-19 19:14:41,087 INFO [main.py:798]
{rank 0/64} MD step = 378000 step time: 00:00:00.368377 Performance: 37.344 ns/day 0.643 hours/ns 2.161 steps/s 2024-05-19 19:14:49,485 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378000 75600 70.412 -28265 7717.3 -35983 -35983 5.8563 -10.428 1.0433 7.1679e+05 2024-05-19 19:15:23,826 INFO [main.py:798]
{rank 0/64} MD step = 378100 step time: 00:00:00.343985 Performance: 37.345 ns/day 0.643 hours/ns 2.161 steps/s 2024-05-19 19:15:29,667 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378100 75620 69.941 -28366 7665.6 -36032 -36032 5.8557 -10.43 1.044 7.1698e+05 2024-05-19 19:16:05,567 INFO [main.py:798]
{rank 0/64} MD step = 378200 step time: 00:00:00.349258 Performance: 37.346 ns/day 0.643 hours/ns 2.161 steps/s 2024-05-19 19:16:13,139 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378200 75640 69.978 -28511 7669.7 -36181 -36181 5.8541 -10.429 1.043 7.1715e+05 2024-05-19 19:16:47,682 INFO [main.py:798]
{rank 0/64} MD step = 378300 step time: 00:00:00.352436 Performance: 37.347 ns/day 0.643 hours/ns 2.161 steps/s 2024-05-19 19:16:54,089 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378300 75660 69.471 -28331 7614.1 -35945 -35945 5.8523 -10.43 1.0442 7.1735e+05 2024-05-19 19:17:28,434 INFO [main.py:798]
{rank 0/64} MD step = 378400 step time: 00:00:00.347730 Performance: 37.348 ns/day 0.643 hours/ns 2.161 steps/s 2024-05-19 19:17:33,353 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378400 75680 69.793 -28486 7649.4 -36135 -36135 5.8481 -10.431 1.0456 7.1756e+05 2024-05-19 19:18:09,541 INFO [main.py:798]
{rank 0/64} MD step = 378500 step time: 00:00:00.373064 Performance: 37.349 ns/day 0.643 hours/ns 2.161 steps/s 2024-05-19 19:18:15,974 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378500 75700 70.33 -28502 7708.3 -36210 -36210 5.8454 -10.43 1.046 7.1772e+05 2024-05-19 19:18:50,742 INFO [main.py:798]
{rank 0/64} MD step = 378600 step time: 00:00:00.347897 Performance: 37.350 ns/day 0.643 hours/ns 2.161 steps/s 2024-05-19 19:18:55,517 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378600 75720 69.983 -28484 7670.2 -36154 -36154 5.8447 -10.429 1.0468 7.1792e+05 2024-05-19 19:19:30,319 INFO [main.py:798]
{rank 0/64} MD step = 378700 step time: 00:00:00.353348 Performance: 37.352 ns/day 0.643 hours/ns 2.162 steps/s 2024-05-19 19:19:36,434 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378700 75740 70.066 -28462 7679.3 -36141 -36141 5.8415 -10.428 1.046 7.1811e+05 2024-05-19 19:20:10,788 INFO [main.py:798]
{rank 0/64} MD step = 378800 step time: 00:00:00.334786 Performance: 37.353 ns/day 0.643 hours/ns 2.162 steps/s 2024-05-19 19:20:16,490 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378800 75760 69.4 -28575 7606.3 -36182 -36182 5.8379 -10.429 1.0457 7.1828e+05 2024-05-19 19:20:51,894 INFO [main.py:798]
{rank 0/64} MD step = 378900 step time: 00:00:00.357237 Performance: 37.354 ns/day 0.643 hours/ns 2.162 steps/s 2024-05-19 19:21:02,209 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378900 75780 69.713 -28468 7640.6 -36108 -36108 5.8366 -10.43 1.0462 7.1851e+05 2024-05-19 19:21:37,833 INFO [main.py:798]
{rank 0/64} MD step = 379000 step time: 00:00:00.375981 Performance: 37.354 ns/day 0.643 hours/ns 2.162 steps/s 2024-05-19 19:21:43,826 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 379000 75800 70.024 -28593 7674.7 -36268 -36268 5.8339 -10.43 1.0461 7.1869e+05 2024-05-19 19:22:19,655 INFO [main.py:798]
{rank 0/64} MD step = 379100 step time: 00:00:00.370601 Performance: 37.355 ns/day 0.642 hours/ns 2.162 steps/s 2024-05-19 19:22:26,788 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 379100 75820 69.705 -28540 7639.7 -36180 -36180 5.8305 -10.43 1.0474 7.1888e+05 2024-05-19 19:23:01,356 INFO [main.py:798]
{rank 0/64} MD step = 379200 step time: 00:00:00.372442 Performance: 37.356 ns/day 0.642 hours/ns 2.162 steps/s 2024-05-19 19:23:06,784 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 379200 75840 70.285 -28388 7703.4 -36091 -36091 5.828 -10.429 1.0477 7.1908e+05 2024-05-19 19:23:41,465 INFO [main.py:798]
{rank 0/64} MD step = 379300 step time: 00:00:00.354008 Performance: 37.357 ns/day 0.642 hours/ns 2.162 steps/s 2024-05-19 19:23:47,373 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 379300 75860 68.647 -28506 7523.8 -36030 -36030 5.8253 -10.43 1.0485 7.1929e+05 2024-05-19 19:24:21,938 INFO [main.py:798]
{rank 0/64} MD step = 379400 step time: 00:00:00.353008 Performance: 37.358 ns/day 0.642 hours/ns 2.162 steps/s 2024-05-19 19:24:27,026 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 379400 75880 69.559 -28570 7623.8 -36194 -36194 5.824 -10.429 1.0501 7.1946e+05 2024-05-19 19:25:00,081 INFO [main.py:798]
{rank 0/64} MD step = 379500 step time: 00:00:00.325896 Performance: 37.360 ns/day 0.642 hours/ns 2.162 steps/s 2024-05-19 19:25:11,375 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 379500 75900 70.176 -28570 7691.3 -36261 -36261 5.8204 -10.428 1.0488 7.1967e+05 2024-05-19 19:25:47,056 INFO [main.py:798]
{rank 0/64} MD step = 379600 step time: 00:00:00.328770 Performance: 37.360 ns/day 0.642 hours/ns 2.162 steps/s 2024-05-19 19:25:53,876 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 379600 75920 69.763 -28567 7646.1 -36213 -36213 5.818 -10.429 1.0481 7.1987e+05 2024-05-19 19:26:29,740 INFO [main.py:798]
{rank 0/64} MD step = 379700 step time: 00:00:00.331995 Performance: 37.361 ns/day 0.642 hours/ns 2.162 steps/s 2024-05-19 19:26:36,188 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 379700 75940 70.357 -28523 7711.2 -36234 -36234 5.8139 -10.428 1.0502 7.1999e+05 2024-05-19 19:27:11,214 INFO [main.py:798]
{rank 0/64} MD step = 379800 step time: 00:00:00.345999 Performance: 37.362 ns/day 0.642 hours/ns 2.162 steps/s 2024-05-19 19:27:17,690 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 379800 75960 69.345 -28524 7600.3 -36124 -36124 5.8121 -10.428 1.0494 7.2021e+05 2024-05-19 19:27:54,542 INFO [main.py:798]
{rank 0/64} MD step = 379900 step time: 00:00:00.332855 Performance: 37.362 ns/day 0.642 hours/ns 2.162 steps/s 2024-05-19 19:28:02,998 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 379900 75980 69.387 -28402 7604.9 -36007 -36007 5.8081 -10.428 1.0497 7.2043e+05 2024-05-19 19:28:37,404 INFO [main.py:798]
{rank 0/64} MD step = 380000 step time: 00:00:00.328070 Performance: 37.363 ns/day 0.642 hours/ns 2.162 steps/s 2024-05-19 19:28:46,890 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 380000 76000 70.108 -28390 7683.9 -36074 -36074 5.8048 -10.43 1.0501 7.2064e+05 2024-05-19 19:29:21,285 INFO [main.py:798]
{rank 0/64} MD step = 380100 step time: 00:00:00.328839 Performance: 37.364 ns/day 0.642 hours/ns 2.162 steps/s 2024-05-19 19:29:34,714 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 380100 76020 70.573 -28383 7734.9 -36118 -36118 5.8035 -10.43 1.0493 7.208e+05 2024-05-19 19:30:09,174 INFO [main.py:798]
{rank 0/64} MD step = 380200 step time: 00:00:00.346084 Performance: 37.363 ns/day 0.642 hours/ns 2.162 steps/s 2024-05-19 19:30:16,707 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 380200 76040 69.863 -28479 7657.1 -36136 -36136 5.8001 -10.432 1.049 7.2098e+05 2024-05-19 19:30:51,016 INFO [main.py:798]
{rank 0/64} MD step = 380300 step time: 00:00:00.351081 Performance: 37.364 ns/day 0.642 hours/ns 2.162 steps/s 2024-05-19 19:30:58,129 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 380300 76060 70.103 -28429 7683.3 -36113 -36113 5.7974 -10.431 1.0489 7.2117e+05 2024-05-19 19:31:32,633 INFO [main.py:798]
{rank 0/64} MD step = 380400 step time: 00:00:00.352697 Performance: 37.365 ns/day 0.642 hours/ns 2.162 steps/s 2024-05-19 19:31:45,218 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 380400 76080 70.561 -28449 7733.5 -36183 -36183 5.7951 -10.431 1.0495 7.2138e+05 2024-05-19 19:32:19,696 INFO [main.py:798]
{rank 0/64} MD step = 380500 step time: 00:00:00.357588 Performance: 37.365 ns/day 0.642 hours/ns 2.162 steps/s 2024-05-19 19:32:25,517 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 380500 76100 69.733 -28527 7642.9 -36170 -36170 5.7936 -10.432 1.049 7.2159e+05 2024-05-19 19:32:59,268 INFO [main.py:798]
{rank 0/64} MD step = 380600 step time: 00:00:00.344606 Performance: 37.366 ns/day 0.642 hours/ns 2.162 steps/s 2024-05-19 19:33:05,237 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 380600 76120 70.226 -28427 7696.9 -36124 -36124 5.7918 -10.432 1.0482 7.2179e+05 2024-05-19 19:33:39,440 INFO [main.py:798]
{rank 0/64} MD step = 380700 step time: 00:00:00.343774 Performance: 37.368 ns/day 0.642 hours/ns 2.162 steps/s 2024-05-19 19:33:52,716 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 380700 76140 70.726 -28450 7751.7 -36202 -36202 5.7889 -10.432 1.0488 7.2194e+05 2024-05-19 19:34:27,169 INFO [main.py:798]
{rank 0/64} MD step = 380800 step time: 00:00:00.351221 Performance: 37.367 ns/day 0.642 hours/ns 2.162 steps/s 2024-05-19 19:34:32,490 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 380800 76160 70.237 -28481 7698.1 -36179 -36179 5.7855 -10.433 1.0494 7.2213e+05 2024-05-19 19:35:07,089 INFO [main.py:798]
{rank 0/64} MD step = 380900 step time: 00:00:00.347982 Performance: 37.369 ns/day 0.642 hours/ns 2.163 steps/s 2024-05-19 19:35:12,396 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 380900 76180 70.043 -28532 7676.8 -36209 -36209 5.7827 -10.432 1.0504 7.2233e+05 2024-05-19 19:35:46,708 INFO [main.py:798]
{rank 0/64} MD step = 381000 step time: 00:00:00.377110 Performance: 37.370 ns/day 0.642 hours/ns 2.163 steps/s 2024-05-19 19:35:54,870 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 381000 76200 69.502 -28594 7617.5 -36212 -36212 5.78 -10.433 1.0507 7.2252e+05 2024-05-19 19:36:28,811 INFO [main.py:798]
{rank 0/64} MD step = 381100 step time: 00:00:00.340693 Performance: 37.371 ns/day 0.642 hours/ns 2.163 steps/s 2024-05-19 19:36:33,947 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 381100 76220 68.974 -28714 7559.6 -36274 -36274 5.7779 -10.433 1.0522 7.227e+05 2024-05-19 19:37:09,010 INFO [main.py:798]
{rank 0/64} MD step = 381200 step time: 00:00:00.340701 Performance: 37.372 ns/day 0.642 hours/ns 2.163 steps/s 2024-05-19 19:37:15,839 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 381200 76240 70.548 -28449 7732.2 -36181 -36181 5.7762 -10.433 1.0527 7.229e+05 2024-05-19 19:37:50,187 INFO [main.py:798]
{rank 0/64} MD step = 381300 step time: 00:00:00.349922 Performance: 37.373 ns/day 0.642 hours/ns 2.163 steps/s 2024-05-19 19:37:55,520 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 381300 76260 69.973 -28491 7669.1 -36160 -36160 5.7737 -10.435 1.0537 7.2312e+05 2024-05-19 19:38:34,421 INFO [main.py:798]
{rank 0/64} MD step = 381400 step time: 00:00:00.356409 Performance: 37.374 ns/day 0.642 hours/ns 2.163 steps/s 2024-05-19 19:38:41,329 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 381400 76280 70.03 -28357 7675.4 -36032 -36032 5.7721 -10.435 1.0546 7.2332e+05 2024-05-19 19:39:16,037 INFO [main.py:798]
{rank 0/64} MD step = 381500 step time: 00:00:00.360040 Performance: 37.375 ns/day 0.642 hours/ns 2.163 steps/s 2024-05-19 19:39:24,461 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 381500 76300 70.314 -28505 7706.5 -36212 -36212 5.7697 -10.437 1.0564 7.2346e+05 2024-05-19 19:39:58,651 INFO [main.py:798]
{rank 0/64} MD step = 381600 step time: 00:00:00.355547 Performance: 37.376 ns/day 0.642 hours/ns 2.163 steps/s 2024-05-19 19:40:05,355 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 381600 76320 70.351 -28343 7710.5 -36054 -36054 5.7684 -10.437 1.0556 7.2368e+05 2024-05-19 19:40:40,122 INFO [main.py:798]
{rank 0/64} MD step = 381700 step time: 00:00:00.354596 Performance: 37.377 ns/day 0.642 hours/ns 2.163 steps/s 2024-05-19 19:40:50,938 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 381700 76340 69.128 -28390 7576.6 -35966 -35966 5.7662 -10.438 1.0561 7.2387e+05 2024-05-19 19:41:25,650 INFO [main.py:798]
{rank 0/64} MD step = 381800 step time: 00:00:00.353409 Performance: 37.377 ns/day 0.642 hours/ns 2.163 steps/s 2024-05-19 19:41:33,523 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 381800 76360 70.632 -28349 7741.4 -36090 -36090 5.7629 -10.437 1.0574 7.2404e+05 2024-05-19 19:42:09,238 INFO [main.py:798]
{rank 0/64} MD step = 381900 step time: 00:00:00.369532 Performance: 37.377 ns/day 0.642 hours/ns 2.163 steps/s 2024-05-19 19:42:21,317 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 381900 76380 69.878 -28550 7658.7 -36209 -36209 5.7598 -10.438 1.0584 7.2422e+05 2024-05-19 19:42:56,420 INFO [main.py:798]
{rank 0/64} MD step = 382000 step time: 00:00:00.351847 Performance: 37.377 ns/day 0.642 hours/ns 2.163 steps/s 2024-05-19 19:43:02,993 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 382000 76400 69.565 -28583 7624.4 -36208 -36208 5.7567 -10.438 1.0594 7.2441e+05 2024-05-19 19:43:37,291 INFO [main.py:798]
{rank 0/64} MD step = 382100 step time: 00:00:00.347128 Performance: 37.378 ns/day 0.642 hours/ns 2.163 steps/s 2024-05-19 19:43:44,674 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 382100 76420 70.089 -28507 7681.9 -36189 -36189 5.7533 -10.438 1.0596 7.2458e+05 2024-05-19 19:44:19,286 INFO [main.py:798]
{rank 0/64} MD step = 382200 step time: 00:00:00.353965 Performance: 37.379 ns/day 0.642 hours/ns 2.163 steps/s 2024-05-19 19:44:24,213 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 382200 76440 70.531 -28470 7730.3 -36201 -36201 5.7506 -10.439 1.0603 7.2477e+05 2024-05-19 19:44:59,651 INFO [main.py:798]
{rank 0/64} MD step = 382300 step time: 00:00:00.372203 Performance: 37.380 ns/day 0.642 hours/ns 2.163 steps/s 2024-05-19 19:45:04,402 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 382300 76460 70.188 -28509 7692.7 -36201 -36201 5.7468 -10.441 1.06 7.2499e+05 2024-05-19 19:45:40,615 INFO [main.py:798]
{rank 0/64} MD step = 382400 step time: 00:00:00.352798 Performance: 37.381 ns/day 0.642 hours/ns 2.163 steps/s 2024-05-19 19:45:46,767 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 382400 76480 68.975 -28597 7559.8 -36157 -36157 5.7447 -10.442 1.0591 7.2514e+05 2024-05-19 19:46:20,828 INFO [main.py:798]
{rank 0/64} MD step = 382500 step time: 00:00:00.351935 Performance: 37.383 ns/day 0.642 hours/ns 2.163 steps/s 2024-05-19 19:46:29,917 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 382500 76500 70.349 -28595 7710.3 -36305 -36305 5.7418 -10.443 1.0596 7.253e+05 2024-05-19 19:47:05,253 INFO [main.py:798]
{rank 0/64} MD step = 382600 step time: 00:00:00.327233 Performance: 37.383 ns/day 0.642 hours/ns 2.163 steps/s 2024-05-19 19:47:09,626 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 382600 76520 70.272 -28522 7701.9 -36223 -36223 5.7388 -10.442 1.0598 7.2552e+05 2024-05-19 19:47:46,093 INFO [main.py:798]
{rank 0/64} MD step = 382700 step time: 00:00:00.373724 Performance: 37.384 ns/day 0.642 hours/ns 2.163 steps/s 2024-05-19 19:47:52,563 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 382700 76540 69.155 -28515 7579.4 -36095 -36095 5.7359 -10.443 1.0593 7.2569e+05 2024-05-19 19:48:26,962 INFO [main.py:798]
{rank 0/64} MD step = 382800 step time: 00:00:00.326254 Performance: 37.385 ns/day 0.642 hours/ns 2.164 steps/s 2024-05-19 19:48:32,438 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 382800 76560 71.172 -28314 7800.5 -36114 -36114 5.7328 -10.444 1.0584 7.2589e+05 2024-05-19 19:49:07,576 INFO [main.py:798]
{rank 0/64} MD step = 382900 step time: 00:00:00.343110 Performance: 37.387 ns/day 0.642 hours/ns 2.164 steps/s 2024-05-19 19:49:12,995 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 382900 76580 70.325 -28328 7707.7 -36036 -36036 5.7307 -10.444 1.0577 7.2607e+05 2024-05-19 19:49:47,694 INFO [main.py:798]
{rank 0/64} MD step = 383000 step time: 00:00:00.342308 Performance: 37.388 ns/day 0.642 hours/ns 2.164 steps/s 2024-05-19 19:49:53,741 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 383000 76600 69.571 -28542 7625 -36167 -36167 5.728 -10.445 1.0569 7.2631e+05 2024-05-19 19:50:30,173 INFO [main.py:798]
{rank 0/64} MD step = 383100 step time: 00:00:00.332529 Performance: 37.389 ns/day 0.642 hours/ns 2.164 steps/s 2024-05-19 19:50:41,475 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 383100 76620 68.787 -28764 7539.2 -36303 -36303 5.7229 -10.445 1.0578 7.2648e+05 2024-05-19 19:51:15,817 INFO [main.py:798]
{rank 0/64} MD step = 383200 step time: 00:00:00.352888 Performance: 37.389 ns/day 0.642 hours/ns 2.164 steps/s 2024-05-19 19:51:22,828 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 383200 76640 70.234 -28528 7697.7 -36226 -36226 5.7196 -10.445 1.0571 7.2672e+05 2024-05-19 19:51:56,878 INFO [main.py:798]
{rank 0/64} MD step = 383300 step time: 00:00:00.333495 Performance: 37.390 ns/day 0.642 hours/ns 2.164 steps/s 2024-05-19 19:52:03,755 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 383300 76660 70.643 -28197 7742.6 -35940 -35940 5.7171 -10.443 1.0566 7.2695e+05 2024-05-19 19:52:37,999 INFO [main.py:798]
{rank 0/64} MD step = 383400 step time: 00:00:00.351404 Performance: 37.391 ns/day 0.642 hours/ns 2.164 steps/s 2024-05-19 19:52:42,795 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 383400 76680 70.641 -28377 7742.4 -36120 -36120 5.7126 -10.442 1.0559 7.2711e+05 2024-05-19 19:53:17,418 INFO [main.py:798]
{rank 0/64} MD step = 383500 step time: 00:00:00.349671 Performance: 37.392 ns/day 0.642 hours/ns 2.164 steps/s 2024-05-19 19:53:23,904 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 383500 76700 70.666 -28373 7745.1 -36118 -36118 5.7091 -10.443 1.0565 7.273e+05 2024-05-19 19:53:58,224 INFO [main.py:798]
{rank 0/64} MD step = 383600 step time: 00:00:00.336463 Performance: 37.393 ns/day 0.642 hours/ns 2.164 steps/s 2024-05-19 19:54:05,094 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 383600 76720 70.448 -28512 7721.2 -36233 -36233 5.7075 -10.446 1.057 7.2747e+05 2024-05-19 19:54:39,318 INFO [main.py:798]
{rank 0/64} MD step = 383700 step time: 00:00:00.353882 Performance: 37.395 ns/day 0.642 hours/ns 2.164 steps/s 2024-05-19 19:54:53,689 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 383700 76740 69.673 -28552 7636.3 -36189 -36189 5.7045 -10.447 1.0574 7.2767e+05 2024-05-19 19:55:29,298 INFO [main.py:798]
{rank 0/64} MD step = 383800 step time: 00:00:00.349999 Performance: 37.394 ns/day 0.642 hours/ns 2.164 steps/s 2024-05-19 19:55:36,022 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 383800 76760 70.357 -28287 7711.3 -35998 -35998 5.7015 -10.448 1.056 7.2788e+05 2024-05-19 19:56:10,115 INFO [main.py:798]
{rank 0/64} MD step = 383900 step time: 00:00:00.349399 Performance: 37.395 ns/day 0.642 hours/ns 2.164 steps/s 2024-05-19 19:56:16,333 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 383900 76780 70.367 -28413 7712.3 -36125 -36125 5.6969 -10.449 1.0554 7.281e+05 2024-05-19 19:56:50,671 INFO [main.py:798]
{rank 0/64} MD step = 384000 step time: 00:00:00.367962 Performance: 37.396 ns/day 0.642 hours/ns 2.164 steps/s 2024-05-19 19:56:56,767 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 384000 76800 69.571 -28430 7625 -36055 -36055 5.693 -10.449 1.0542 7.283e+05 2024-05-19 19:57:30,350 INFO [main.py:798]
{rank 0/64} MD step = 384100 step time: 00:00:00.328420 Performance: 37.397 ns/day 0.642 hours/ns 2.164 steps/s 2024-05-19 19:57:36,292 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 384100 76820 70.08 -28555 7680.8 -36236 -36236 5.6907 -10.448 1.0528 7.2849e+05 2024-05-19 19:58:09,204 INFO [main.py:798]
{rank 0/64} MD step = 384200 step time: 00:00:00.340163 Performance: 37.399 ns/day 0.642 hours/ns 2.164 steps/s 2024-05-19 19:58:19,434 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 384200 76840 69.974 -28586 7669.3 -36255 -36255 5.687 -10.449 1.0538 7.2864e+05 2024-05-19 19:58:53,371 INFO [main.py:798]
{rank 0/64} MD step = 384300 step time: 00:00:00.343840 Performance: 37.399 ns/day 0.642 hours/ns 2.164 steps/s 2024-05-19 19:58:59,156 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 384300 76860 71.471 -28356 7833.3 -36190 -36190 5.6833 -10.451 1.053 7.2886e+05 2024-05-19 19:59:33,863 INFO [main.py:798]
{rank 0/64} MD step = 384400 step time: 00:00:00.353299 Performance: 37.401 ns/day 0.642 hours/ns 2.164 steps/s 2024-05-19 19:59:40,186 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 384400 76880 70.793 -28296 7759 -36055 -36055 5.6811 -10.452 1.0531 7.2905e+05 2024-05-19 20:00:15,042 INFO [main.py:798]
{rank 0/64} MD step = 384500 step time: 00:00:00.370529 Performance: 37.402 ns/day 0.642 hours/ns 2.164 steps/s 2024-05-19 20:00:24,396 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 384500 76900 71.285 -28493 7812.9 -36306 -36306 5.6783 -10.453 1.0551 7.2923e+05 2024-05-19 20:00:58,522 INFO [main.py:798]
{rank 0/64} MD step = 384600 step time: 00:00:00.349806 Performance: 37.402 ns/day 0.642 hours/ns 2.164 steps/s 2024-05-19 20:01:07,364 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 384600 76920 70.632 -28292 7741.4 -36033 -36033 5.6751 -10.455 1.0558 7.2945e+05 2024-05-19 20:01:41,313 INFO [main.py:798]
{rank 0/64} MD step = 384700 step time: 00:00:00.349982 Performance: 37.403 ns/day 0.642 hours/ns 2.165 steps/s 2024-05-19 20:01:47,663 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 384700 76940 70.788 -28353 7758.4 -36111 -36111 5.671 -10.455 1.0562 7.2959e+05 2024-05-19 20:02:22,248 INFO [main.py:798]
{rank 0/64} MD step = 384800 step time: 00:00:00.347265 Performance: 37.404 ns/day 0.642 hours/ns 2.165 steps/s 2024-05-19 20:02:32,566 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 384800 76960 69.927 -28397 7664.1 -36061 -36061 5.6686 -10.456 1.0573 7.2978e+05 2024-05-19 20:03:07,412 INFO [main.py:798]
{rank 0/64} MD step = 384900 step time: 00:00:00.373174 Performance: 37.404 ns/day 0.642 hours/ns 2.165 steps/s 2024-05-19 20:03:14,345 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 384900 76980 69.557 -28444 7623.5 -36068 -36068 5.6658 -10.457 1.0566 7.2994e+05 2024-05-19 20:03:48,230 INFO [main.py:798]
{rank 0/64} MD step = 385000 step time: 00:00:00.346464 Performance: 37.405 ns/day 0.642 hours/ns 2.165 steps/s 2024-05-19 20:03:53,734 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 385000 77000 68.931 -28478 7555 -36033 -36033 5.6627 -10.458 1.0581 7.3013e+05 2024-05-19 20:04:28,469 INFO [main.py:798]
{rank 0/64} MD step = 385100 step time: 00:00:00.351500 Performance: 37.407 ns/day 0.642 hours/ns 2.165 steps/s 2024-05-19 20:04:34,458 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 385100 77020 70.492 -28455 7726.1 -36181 -36181 5.6584 -10.459 1.0576 7.303e+05 2024-05-19 20:05:09,574 INFO [main.py:798]
{rank 0/64} MD step = 385200 step time: 00:00:00.347209 Performance: 37.408 ns/day 0.642 hours/ns 2.165 steps/s 2024-05-19 20:05:16,458 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 385200 77040 70.406 -28396 7716.5 -36113 -36113 5.6565 -10.46 1.0599 7.305e+05 2024-05-19 20:05:51,115 INFO [main.py:798]
{rank 0/64} MD step = 385300 step time: 00:00:00.357781 Performance: 37.409 ns/day 0.642 hours/ns 2.165 steps/s 2024-05-19 20:05:58,153 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 385300 77060 70.422 -28410 7718.3 -36129 -36129 5.6548 -10.461 1.0608 7.3065e+05 2024-05-19 20:06:33,772 INFO [main.py:798]
{rank 0/64} MD step = 385400 step time: 00:00:00.350127 Performance: 37.409 ns/day 0.642 hours/ns 2.165 steps/s 2024-05-19 20:06:39,224 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 385400 77080 69.837 -28412 7654.2 -36067 -36067 5.6508 -10.461 1.0604 7.3087e+05 2024-05-19 20:07:13,449 INFO [main.py:798]
{rank 0/64} MD step = 385500 step time: 00:00:00.362495 Performance: 37.411 ns/day 0.642 hours/ns 2.165 steps/s 2024-05-19 20:07:19,973 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 385500 77100 69.906 -28520 7661.7 -36181 -36181 5.647 -10.46 1.0599 7.3108e+05 2024-05-19 20:07:54,992 INFO [main.py:798]
{rank 0/64} MD step = 385600 step time: 00:00:00.364442 Performance: 37.412 ns/day 0.642 hours/ns 2.165 steps/s 2024-05-19 20:07:59,966 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 385600 77120 69.121 -28548 7575.8 -36124 -36124 5.6448 -10.459 1.0622 7.3131e+05 2024-05-19 20:08:34,342 INFO [main.py:798]
{rank 0/64} MD step = 385700 step time: 00:00:00.350658 Performance: 37.413 ns/day 0.641 hours/ns 2.165 steps/s 2024-05-19 20:08:41,521 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 385700 77140 70.462 -28444 7722.8 -36167 -36167 5.6424 -10.459 1.0634 7.3151e+05 2024-05-19 20:09:16,428 INFO [main.py:798]
{rank 0/64} MD step = 385800 step time: 00:00:00.340579 Performance: 37.414 ns/day 0.641 hours/ns 2.165 steps/s 2024-05-19 20:09:22,919 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 385800 77160 69.43 -28512 7609.6 -36121 -36121 5.6391 -10.459 1.0629 7.3168e+05 2024-05-19 20:09:57,638 INFO [main.py:798]
{rank 0/64} MD step = 385900 step time: 00:00:00.348480 Performance: 37.415 ns/day 0.641 hours/ns 2.165 steps/s 2024-05-19 20:10:02,835 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 385900 77180 70.02 -28431 7674.3 -36105 -36105 5.6365 -10.461 1.0626 7.3188e+05 2024-05-19 20:10:37,275 INFO [main.py:798]
{rank 0/64} MD step = 386000 step time: 00:00:00.350351 Performance: 37.417 ns/day 0.641 hours/ns 2.165 steps/s 2024-05-19 20:10:44,694 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 386000 77200 70.811 -28302 7761 -36063 -36063 5.6345 -10.461 1.0646 7.3206e+05 2024-05-19 20:11:19,216 INFO [main.py:798]
{rank 0/64} MD step = 386100 step time: 00:00:00.356039 Performance: 37.417 ns/day 0.641 hours/ns 2.165 steps/s 2024-05-19 20:11:24,908 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 386100 77220 69.506 -28531 7617.9 -36149 -36149 5.6325 -10.461 1.066 7.3227e+05 2024-05-19 20:11:59,617 INFO [main.py:798]
{rank 0/64} MD step = 386200 step time: 00:00:00.355957 Performance: 37.419 ns/day 0.641 hours/ns 2.165 steps/s 2024-05-19 20:12:11,587 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 386200 77240 69.886 -28448 7659.6 -36108 -36108 5.63 -10.461 1.0655 7.3247e+05 2024-05-19 20:12:45,818 INFO [main.py:798]
{rank 0/64} MD step = 386300 step time: 00:00:00.340390 Performance: 37.419 ns/day 0.641 hours/ns 2.165 steps/s 2024-05-19 20:12:51,444 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 386300 77260 70.383 -28424 7714.1 -36138 -36138 5.6266 -10.461 1.0664 7.3266e+05 2024-05-19 20:13:25,321 INFO [main.py:798]
{rank 0/64} MD step = 386400 step time: 00:00:00.327813 Performance: 37.420 ns/day 0.641 hours/ns 2.166 steps/s 2024-05-19 20:13:30,393 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 386400 77280 70.718 -28256 7750.8 -36007 -36007 5.6228 -10.46 1.0671 7.3288e+05 2024-05-19 20:14:05,137 INFO [main.py:798]
{rank 0/64} MD step = 386500 step time: 00:00:00.338914 Performance: 37.421 ns/day 0.641 hours/ns 2.166 steps/s 2024-05-19 20:14:13,819 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 386500 77300 71.083 -28334 7790.8 -36125 -36125 5.6194 -10.461 1.0666 7.3309e+05 2024-05-19 20:14:49,102 INFO [main.py:798]
{rank 0/64} MD step = 386600 step time: 00:00:00.353060 Performance: 37.422 ns/day 0.641 hours/ns 2.166 steps/s 2024-05-19 20:14:56,182 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 386600 77320 70.178 -28641 7691.6 -36333 -36333 5.6158 -10.462 1.0652 7.3326e+05 2024-05-19 20:15:30,951 INFO [main.py:798]
{rank 0/64} MD step = 386700 step time: 00:00:00.330288 Performance: 37.423 ns/day 0.641 hours/ns 2.166 steps/s 2024-05-19 20:15:36,386 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 386700 77340 72.224 -28296 7915.8 -36212 -36212 5.612 -10.461 1.0655 7.3346e+05 2024-05-19 20:16:12,756 INFO [main.py:798]
{rank 0/64} MD step = 386800 step time: 00:00:00.326384 Performance: 37.424 ns/day 0.641 hours/ns 2.166 steps/s 2024-05-19 20:16:24,972 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 386800 77360 70.792 -28667 7758.9 -36426 -36426 5.608 -10.462 1.0659 7.3363e+05 2024-05-19 20:16:59,496 INFO [main.py:798]
{rank 0/64} MD step = 386900 step time: 00:00:00.326990 Performance: 37.424 ns/day 0.641 hours/ns 2.166 steps/s 2024-05-19 20:17:08,174 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 386900 77380 70.767 -28590 7756.1 -36346 -36346 5.6042 -10.463 1.0647 7.3381e+05 2024-05-19 20:17:42,910 INFO [main.py:798]
{rank 0/64} MD step = 387000 step time: 00:00:00.326687 Performance: 37.424 ns/day 0.641 hours/ns 2.166 steps/s 2024-05-19 20:17:48,920 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387000 77400 69.519 -28602 7619.4 -36221 -36221 5.6002 -10.465 1.064 7.3404e+05 2024-05-19 20:18:23,711 INFO [main.py:798]
{rank 0/64} MD step = 387100 step time: 00:00:00.338590 Performance: 37.425 ns/day 0.641 hours/ns 2.166 steps/s 2024-05-19 20:18:29,182 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387100 77420 69.1 -28649 7573.4 -36222 -36222 5.597 -10.466 1.0647 7.3422e+05 2024-05-19 20:19:05,853 INFO [main.py:798]
{rank 0/64} MD step = 387200 step time: 00:00:00.327435 Performance: 37.426 ns/day 0.641 hours/ns 2.166 steps/s 2024-05-19 20:19:14,291 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387200 77440 70.456 -28510 7722 -36233 -36233 5.5937 -10.466 1.0641 7.3433e+05 2024-05-19 20:19:48,145 INFO [main.py:798]
{rank 0/64} MD step = 387300 step time: 00:00:00.326704 Performance: 37.427 ns/day 0.641 hours/ns 2.166 steps/s 2024-05-19 20:19:53,969 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387300 77460 70.42 -28731 7718.1 -36449 -36449 5.5898 -10.468 1.065 7.3453e+05 2024-05-19 20:20:28,485 INFO [main.py:798]
{rank 0/64} MD step = 387400 step time: 00:00:00.341392 Performance: 37.428 ns/day 0.641 hours/ns 2.166 steps/s 2024-05-19 20:20:36,050 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387400 77480 69.685 -28699 7637.5 -36337 -36337 5.5884 -10.467 1.0667 7.3473e+05 2024-05-19 20:21:11,893 INFO [main.py:798]
{rank 0/64} MD step = 387500 step time: 00:00:00.327239 Performance: 37.429 ns/day 0.641 hours/ns 2.166 steps/s 2024-05-19 20:21:17,735 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387500 77500 69.387 -28581 7604.9 -36186 -36186 5.5858 -10.467 1.0645 7.3496e+05 2024-05-19 20:21:52,587 INFO [main.py:798]
{rank 0/64} MD step = 387600 step time: 00:00:00.353471 Performance: 37.430 ns/day 0.641 hours/ns 2.166 steps/s 2024-05-19 20:21:57,120 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387600 77520 70.386 -28456 7714.4 -36170 -36170 5.5831 -10.468 1.066 7.3515e+05 2024-05-19 20:22:31,879 INFO [main.py:798]
{rank 0/64} MD step = 387700 step time: 00:00:00.342578 Performance: 37.431 ns/day 0.641 hours/ns 2.166 steps/s 2024-05-19 20:22:37,522 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387700 77540 69.868 -28543 7657.6 -36200 -36200 5.5791 -10.466 1.0665 7.3535e+05 2024-05-19 20:23:12,169 INFO [main.py:798]
{rank 0/64} MD step = 387800 step time: 00:00:00.345969 Performance: 37.433 ns/day 0.641 hours/ns 2.166 steps/s 2024-05-19 20:23:18,863 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387800 77560 70.42 -28373 7718.2 -36091 -36091 5.576 -10.467 1.0677 7.3555e+05 2024-05-19 20:23:53,603 INFO [main.py:798]
{rank 0/64} MD step = 387900 step time: 00:00:00.355230 Performance: 37.433 ns/day 0.641 hours/ns 2.166 steps/s 2024-05-19 20:23:59,164 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387900 77580 70.947 -28311 7775.9 -36087 -36087 5.5728 -10.468 1.068 7.3574e+05 2024-05-19 20:24:33,280 INFO [main.py:798]
{rank 0/64} MD step = 388000 step time: 00:00:00.337234 Performance: 37.435 ns/day 0.641 hours/ns 2.166 steps/s 2024-05-19 20:24:46,017 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 388000 77600 69.095 -28667 7572.9 -36240 -36240 5.5704 -10.469 1.0675 7.359e+05 2024-05-19 20:25:20,087 INFO [main.py:798]
{rank 0/64} MD step = 388100 step time: 00:00:00.352331 Performance: 37.435 ns/day 0.641 hours/ns 2.166 steps/s 2024-05-19 20:25:26,237 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 388100 77620 69.843 -28367 7654.9 -36022 -36022 5.5673 -10.47 1.068 7.361e+05 2024-05-19 20:26:00,469 INFO [main.py:798]
{rank 0/64} MD step = 388200 step time: 00:00:00.346872 Performance: 37.436 ns/day 0.641 hours/ns 2.166 steps/s 2024-05-19 20:26:07,023 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 388200 77640 69.808 -28408 7651.1 -36059 -36059 5.5654 -10.47 1.0689 7.3633e+05 2024-05-19 20:26:42,901 INFO [main.py:798]
{rank 0/64} MD step = 388300 step time: 00:00:00.368075 Performance: 37.437 ns/day 0.641 hours/ns 2.166 steps/s 2024-05-19 20:26:51,760 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 388300 77660 69.922 -28481 7663.5 -36144 -36144 5.5624 -10.473 1.0674 7.3648e+05 2024-05-19 20:27:26,914 INFO [main.py:798]
{rank 0/64} MD step = 388400 step time: 00:00:00.354080 Performance: 37.437 ns/day 0.641 hours/ns 2.167 steps/s 2024-05-19 20:27:38,000 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 388400 77680 69.949 -28674 7666.5 -36341 -36341 5.5606 -10.473 1.0674 7.3663e+05 2024-05-19 20:28:15,092 INFO [main.py:798]
{rank 0/64} MD step = 388500 step time: 00:00:00.372145 Performance: 37.437 ns/day 0.641 hours/ns 2.166 steps/s 2024-05-19 20:28:22,877 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 388500 77700 70.685 -28420 7747.2 -36167 -36167 5.5579 -10.473 1.0677 7.3685e+05 2024-05-19 20:28:57,500 INFO [main.py:798]
{rank 0/64} MD step = 388600 step time: 00:00:00.330127 Performance: 37.438 ns/day 0.641 hours/ns 2.167 steps/s 2024-05-19 20:29:05,876 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 388600 77720 71.754 -28314 7864.4 -36178 -36178 5.5561 -10.474 1.0672 7.3702e+05 2024-05-19 20:29:40,666 INFO [main.py:798]
{rank 0/64} MD step = 388700 step time: 00:00:00.325954 Performance: 37.438 ns/day 0.641 hours/ns 2.167 steps/s 2024-05-19 20:29:46,240 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 388700 77740 70.513 -28377 7728.4 -36106 -36106 5.5533 -10.475 1.0675 7.3723e+05 2024-05-19 20:30:22,300 INFO [main.py:798]
{rank 0/64} MD step = 388800 step time: 00:00:00.327961 Performance: 37.439 ns/day 0.641 hours/ns 2.167 steps/s 2024-05-19 20:30:28,310 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 388800 77760 69.101 -28441 7573.5 -36015 -36015 5.5494 -10.474 1.0683 7.3739e+05 2024-05-19 20:31:02,996 INFO [main.py:798]
{rank 0/64} MD step = 388900 step time: 00:00:00.326698 Performance: 37.440 ns/day 0.641 hours/ns 2.167 steps/s 2024-05-19 20:31:12,619 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 388900 77780 70.065 -28563 7679.3 -36243 -36243 5.5459 -10.475 1.0679 7.3753e+05 2024-05-19 20:31:45,313 INFO [main.py:798]
{rank 0/64} MD step = 389000 step time: 00:00:00.326741 Performance: 37.441 ns/day 0.641 hours/ns 2.167 steps/s 2024-05-19 20:31:57,163 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389000 77800 70.221 -28513 7696.3 -36209 -36209 5.5448 -10.475 1.0676 7.3776e+05 2024-05-19 20:32:30,655 INFO [main.py:798]
{rank 0/64} MD step = 389100 step time: 00:00:00.324988 Performance: 37.441 ns/day 0.641 hours/ns 2.167 steps/s 2024-05-19 20:32:37,001 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389100 77820 69.85 -28481 7655.6 -36137 -36137 5.5427 -10.477 1.0655 7.3795e+05 2024-05-19 20:33:11,716 INFO [main.py:798]
{rank 0/64} MD step = 389200 step time: 00:00:00.328688 Performance: 37.442 ns/day 0.641 hours/ns 2.167 steps/s 2024-05-19 20:33:25,697 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389200 77840 70.048 -28578 7677.3 -36256 -36256 5.54 -10.477 1.0655 7.3813e+05 2024-05-19 20:34:00,149 INFO [main.py:798]
{rank 0/64} MD step = 389300 step time: 00:00:00.339177 Performance: 37.442 ns/day 0.641 hours/ns 2.167 steps/s 2024-05-19 20:34:06,425 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389300 77860 69.434 -28626 7610.1 -36236 -36236 5.5367 -10.476 1.0653 7.3829e+05 2024-05-19 20:34:40,969 INFO [main.py:798]
{rank 0/64} MD step = 389400 step time: 00:00:00.363834 Performance: 37.443 ns/day 0.641 hours/ns 2.167 steps/s 2024-05-19 20:34:46,810 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389400 77880 69.835 -28481 7654 -36135 -36135 5.5343 -10.477 1.0647 7.3848e+05 2024-05-19 20:35:22,444 INFO [main.py:798]
{rank 0/64} MD step = 389500 step time: 00:00:00.346564 Performance: 37.444 ns/day 0.641 hours/ns 2.167 steps/s 2024-05-19 20:35:28,355 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389500 77900 70.644 -28299 7742.7 -36042 -36042 5.5313 -10.478 1.0623 7.387e+05 2024-05-19 20:36:02,830 INFO [main.py:798]
{rank 0/64} MD step = 389600 step time: 00:00:00.344745 Performance: 37.445 ns/day 0.641 hours/ns 2.167 steps/s 2024-05-19 20:36:13,496 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389600 77920 70 -28429 7672.1 -36101 -36101 5.5284 -10.478 1.0619 7.3887e+05 2024-05-19 20:36:49,210 INFO [main.py:798]
{rank 0/64} MD step = 389700 step time: 00:00:00.347939 Performance: 37.445 ns/day 0.641 hours/ns 2.167 steps/s 2024-05-19 20:36:54,233 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389700 77940 70.575 -28443 7735.1 -36178 -36178 5.5255 -10.481 1.0613 7.3906e+05 2024-05-19 20:37:30,920 INFO [main.py:798]
{rank 0/64} MD step = 389800 step time: 00:00:00.352690 Performance: 37.446 ns/day 0.641 hours/ns 2.167 steps/s 2024-05-19 20:37:38,708 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389800 77960 70.667 -28535 7745.2 -36281 -36281 5.5237 -10.483 1.0618 7.3921e+05 2024-05-19 20:38:13,095 INFO [main.py:798]
{rank 0/64} MD step = 389900 step time: 00:00:00.355034 Performance: 37.447 ns/day 0.641 hours/ns 2.167 steps/s 2024-05-19 20:38:18,709 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389900 77980 70.072 -28634 7679.9 -36314 -36314 5.5211 -10.482 1.0628 7.3941e+05 2024-05-19 20:38:53,467 INFO [main.py:798]
{rank 0/64} MD step = 390000 step time: 00:00:00.350621 Performance: 37.448 ns/day 0.641 hours/ns 2.167 steps/s 2024-05-19 20:38:59,688 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390000 78000 70.306 -28684 7705.6 -36390 -36390 5.517 -10.484 1.0634 7.3956e+05 2024-05-19 20:39:34,795 INFO [main.py:798]
{rank 0/64} MD step = 390100 step time: 00:00:00.363217 Performance: 37.449 ns/day 0.641 hours/ns 2.167 steps/s 2024-05-19 20:39:40,512 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390100 78020 70.866 -28576 7767 -36343 -36343 5.5136 -10.484 1.0633 7.3975e+05 2024-05-19 20:40:14,840 INFO [main.py:798]
{rank 0/64} MD step = 390200 step time: 00:00:00.361186 Performance: 37.450 ns/day 0.641 hours/ns 2.167 steps/s 2024-05-19 20:40:20,125 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390200 78040 69.949 -28716 7666.5 -36383 -36383 5.5104 -10.484 1.0632 7.3996e+05 2024-05-19 20:40:54,011 INFO [main.py:798]
{rank 0/64} MD step = 390300 step time: 00:00:00.341082 Performance: 37.452 ns/day 0.641 hours/ns 2.167 steps/s 2024-05-19 20:41:02,106 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390300 78060 68.942 -28595 7556.2 -36152 -36152 5.5077 -10.484 1.0617 7.4019e+05 2024-05-19 20:41:36,502 INFO [main.py:798]
{rank 0/64} MD step = 390400 step time: 00:00:00.371176 Performance: 37.452 ns/day 0.641 hours/ns 2.167 steps/s 2024-05-19 20:41:49,339 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390400 78080 69.44 -28609 7610.7 -36220 -36220 5.5062 -10.484 1.061 7.4036e+05 2024-05-19 20:42:24,292 INFO [main.py:798]
{rank 0/64} MD step = 390500 step time: 00:00:00.364825 Performance: 37.452 ns/day 0.641 hours/ns 2.167 steps/s 2024-05-19 20:42:32,933 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390500 78100 69.981 -28713 7670 -36383 -36383 5.5029 -10.485 1.0604 7.4054e+05 2024-05-19 20:43:06,935 INFO [main.py:798]
{rank 0/64} MD step = 390600 step time: 00:00:00.351001 Performance: 37.453 ns/day 0.641 hours/ns 2.167 steps/s 2024-05-19 20:43:14,074 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390600 78120 70.639 -28539 7742.1 -36281 -36281 5.4995 -10.487 1.0611 7.4074e+05 2024-05-19 20:43:48,511 INFO [main.py:798]
{rank 0/64} MD step = 390700 step time: 00:00:00.350114 Performance: 37.454 ns/day 0.641 hours/ns 2.167 steps/s 2024-05-19 20:43:56,468 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390700 78140 70.908 -28506 7771.6 -36277 -36277 5.4965 -10.488 1.0631 7.4095e+05 2024-05-19 20:44:30,881 INFO [main.py:798]
{rank 0/64} MD step = 390800 step time: 00:00:00.347334 Performance: 37.455 ns/day 0.641 hours/ns 2.168 steps/s 2024-05-19 20:44:38,051 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390800 78160 70.743 -28491 7753.5 -36244 -36244 5.4934 -10.488 1.0618 7.4114e+05 2024-05-19 20:45:12,200 INFO [main.py:798]
{rank 0/64} MD step = 390900 step time: 00:00:00.347268 Performance: 37.456 ns/day 0.641 hours/ns 2.168 steps/s 2024-05-19 20:45:19,547 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390900 78180 70.414 -28476 7717.5 -36193 -36193 5.4909 -10.489 1.0633 7.4132e+05 2024-05-19 20:45:53,376 INFO [main.py:798]
{rank 0/64} MD step = 391000 step time: 00:00:00.345613 Performance: 37.457 ns/day 0.641 hours/ns 2.168 steps/s 2024-05-19 20:46:04,101 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 391000 78200 70.591 -28437 7736.8 -36174 -36174 5.4867 -10.491 1.0622 7.4153e+05 2024-05-19 20:46:37,636 INFO [main.py:798]
{rank 0/64} MD step = 391100 step time: 00:00:00.350947 Performance: 37.457 ns/day 0.641 hours/ns 2.168 steps/s 2024-05-19 20:46:43,431 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 391100 78220 69.427 -28854 7609.3 -36463 -36463 5.484 -10.491 1.0618 7.4168e+05 2024-05-19 20:47:17,963 INFO [main.py:798]
{rank 0/64} MD step = 391200 step time: 00:00:00.348343 Performance: 37.458 ns/day 0.641 hours/ns 2.168 steps/s 2024-05-19 20:47:22,243 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 391200 78240 70.935 -28643 7774.5 -36417 -36417 5.4823 -10.491 1.0622 7.4184e+05 2024-05-19 20:47:58,199 INFO [main.py:798]
{rank 0/64} MD step = 391300 step time: 00:00:00.352515 Performance: 37.459 ns/day 0.641 hours/ns 2.168 steps/s 2024-05-19 20:48:04,915 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 391300 78260 69.354 -28559 7601.3 -36160 -36160 5.4803 -10.491 1.0619 7.4204e+05 2024-05-19 20:48:39,062 INFO [main.py:798]
{rank 0/64} MD step = 391400 step time: 00:00:00.353797 Performance: 37.460 ns/day 0.641 hours/ns 2.168 steps/s 2024-05-19 20:48:45,311 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 391400 78280 70.744 -28521 7753.6 -36275 -36275 5.4787 -10.492 1.0608 7.4225e+05 2024-05-19 20:49:19,408 INFO [main.py:798]
{rank 0/64} MD step = 391500 step time: 00:00:00.352852 Performance: 37.462 ns/day 0.641 hours/ns 2.168 steps/s 2024-05-19 20:49:25,374 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 391500 78300 70.354 -28571 7710.9 -36282 -36282 5.4749 -10.492 1.0598 7.4247e+05 2024-05-19 20:49:59,427 INFO [main.py:798]
{rank 0/64} MD step = 391600 step time: 00:00:00.338844 Performance: 37.463 ns/day 0.641 hours/ns 2.168 steps/s 2024-05-19 20:50:13,478 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 391600 78320 70.747 -28479 7753.9 -36233 -36233 5.4731 -10.493 1.0593 7.4266e+05 2024-05-19 20:50:47,639 INFO [main.py:798]
{rank 0/64} MD step = 391700 step time: 00:00:00.347665 Performance: 37.463 ns/day 0.641 hours/ns 2.168 steps/s 2024-05-19 20:50:54,283 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 391700 78340 70.54 -28512 7731.3 -36244 -36244 5.4697 -10.493 1.0616 7.4285e+05 2024-05-19 20:51:28,670 INFO [main.py:798]
{rank 0/64} MD step = 391800 step time: 00:00:00.352659 Performance: 37.464 ns/day 0.641 hours/ns 2.168 steps/s 2024-05-19 20:51:34,440 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 391800 78360 69.395 -28637 7605.7 -36242 -36242 5.467 -10.493 1.0615 7.4302e+05 2024-05-19 20:52:09,054 INFO [main.py:798]
{rank 0/64} MD step = 391900 step time: 00:00:00.348584 Performance: 37.465 ns/day 0.641 hours/ns 2.168 steps/s 2024-05-19 20:52:15,659 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 391900 78380 69.741 -28624 7643.7 -36268 -36268 5.465 -10.493 1.062 7.4322e+05 2024-05-19 20:52:52,083 INFO [main.py:798]
{rank 0/64} MD step = 392000 step time: 00:00:00.353223 Performance: 37.465 ns/day 0.641 hours/ns 2.168 steps/s 2024-05-19 20:52:57,840 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 392000 78400 69.399 -28568 7606.2 -36174 -36174 5.4614 -10.493 1.0619 7.4343e+05 2024-05-19 20:53:31,779 INFO [main.py:798]
{rank 0/64} MD step = 392100 step time: 00:00:00.345965 Performance: 37.467 ns/day 0.641 hours/ns 2.168 steps/s 2024-05-19 20:53:37,806 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 392100 78420 69.904 -28468 7661.5 -36129 -36129 5.4605 -10.494 1.0609 7.436e+05 2024-05-19 20:54:11,892 INFO [main.py:798]
{rank 0/64} MD step = 392200 step time: 00:00:00.352052 Performance: 37.468 ns/day 0.641 hours/ns 2.168 steps/s 2024-05-19 20:54:17,187 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 392200 78440 70.033 -28419 7675.7 -36095 -36095 5.4584 -10.494 1.0628 7.4379e+05 2024-05-19 20:54:53,116 INFO [main.py:798]
{rank 0/64} MD step = 392300 step time: 00:00:00.350621 Performance: 37.469 ns/day 0.641 hours/ns 2.168 steps/s 2024-05-19 20:54:59,251 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 392300 78460 70.294 -28357 7704.4 -36062 -36062 5.4548 -10.494 1.0625 7.4401e+05 2024-05-19 20:55:34,166 INFO [main.py:798]
{rank 0/64} MD step = 392400 step time: 00:00:00.354341 Performance: 37.470 ns/day 0.641 hours/ns 2.168 steps/s 2024-05-19 20:55:38,216 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 392400 78480 70.414 -28394 7717.5 -36112 -36112 5.4522 -10.493 1.0628 7.442e+05 2024-05-19 20:56:15,549 INFO [main.py:798]
{rank 0/64} MD step = 392500 step time: 00:00:00.345255 Performance: 37.471 ns/day 0.640 hours/ns 2.168 steps/s 2024-05-19 20:56:21,556 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 392500 78500 70.723 -28247 7751.4 -35999 -35999 5.4496 -10.493 1.0617 7.444e+05 2024-05-19 20:56:56,401 INFO [main.py:798]
{rank 0/64} MD step = 392600 step time: 00:00:00.359765 Performance: 37.472 ns/day 0.640 hours/ns 2.169 steps/s 2024-05-19 20:57:03,616 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 392600 78520 70.16 -28305 7689.7 -35994 -35994 5.4482 -10.493 1.0617 7.4457e+05 2024-05-19 20:57:37,517 INFO [main.py:798]
{rank 0/64} MD step = 392700 step time: 00:00:00.343892 Performance: 37.473 ns/day 0.640 hours/ns 2.169 steps/s 2024-05-19 20:57:46,129 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 392700 78540 69.97 -28252 7668.8 -35920 -35920 5.4453 -10.494 1.0634 7.4478e+05 2024-05-19 20:58:20,047 INFO [main.py:798]
{rank 0/64} MD step = 392800 step time: 00:00:00.342510 Performance: 37.474 ns/day 0.640 hours/ns 2.169 steps/s 2024-05-19 20:58:27,570 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 392800 78560 70.886 -28343 7769.2 -36112 -36112 5.4421 -10.494 1.0624 7.4495e+05 2024-05-19 20:59:01,471 INFO [main.py:798]
{rank 0/64} MD step = 392900 step time: 00:00:00.342636 Performance: 37.475 ns/day 0.640 hours/ns 2.169 steps/s 2024-05-19 20:59:08,767 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 392900 78580 69.937 -28392 7665.2 -36057 -36057 5.4397 -10.493 1.0624 7.4514e+05 2024-05-19 20:59:42,668 INFO [main.py:798]
{rank 0/64} MD step = 393000 step time: 00:00:00.338146 Performance: 37.476 ns/day 0.640 hours/ns 2.169 steps/s 2024-05-19 20:59:48,975 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393000 78600 70.641 -28291 7742.3 -36033 -36033 5.4387 -10.492 1.0622 7.4534e+05 2024-05-19 21:00:23,346 INFO [main.py:798]
{rank 0/64} MD step = 393100 step time: 00:00:00.350557 Performance: 37.477 ns/day 0.640 hours/ns 2.169 steps/s 2024-05-19 21:00:29,191 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393100 78620 69.643 -28438 7632.9 -36071 -36071 5.4367 -10.492 1.0615 7.4556e+05 2024-05-19 21:01:03,382 INFO [main.py:798]
{rank 0/64} MD step = 393200 step time: 00:00:00.351406 Performance: 37.478 ns/day 0.640 hours/ns 2.169 steps/s 2024-05-19 21:01:09,726 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393200 78640 70.066 -28370 7679.3 -36050 -36050 5.4339 -10.492 1.0608 7.4578e+05 2024-05-19 21:01:44,312 INFO [main.py:798]
{rank 0/64} MD step = 393300 step time: 00:00:00.338984 Performance: 37.479 ns/day 0.640 hours/ns 2.169 steps/s 2024-05-19 21:01:53,188 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393300 78660 69.411 -28365 7607.5 -35973 -35973 5.4322 -10.493 1.0606 7.4597e+05 2024-05-19 21:02:27,082 INFO [main.py:798]
{rank 0/64} MD step = 393400 step time: 00:00:00.353107 Performance: 37.480 ns/day 0.640 hours/ns 2.169 steps/s 2024-05-19 21:02:32,768 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393400 78680 70.085 -28267 7681.4 -35948 -35948 5.4285 -10.493 1.0604 7.4611e+05 2024-05-19 21:03:06,997 INFO [main.py:798]
{rank 0/64} MD step = 393500 step time: 00:00:00.338836 Performance: 37.481 ns/day 0.640 hours/ns 2.169 steps/s 2024-05-19 21:03:13,154 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393500 78700 70.838 -28247 7763.9 -36011 -36011 5.4271 -10.493 1.0619 7.4627e+05 2024-05-19 21:03:46,746 INFO [main.py:798]
{rank 0/64} MD step = 393600 step time: 00:00:00.326843 Performance: 37.483 ns/day 0.640 hours/ns 2.169 steps/s 2024-05-19 21:03:53,699 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393600 78720 70.694 -28309 7748.1 -36057 -36057 5.4242 -10.493 1.0622 7.465e+05 2024-05-19 21:04:27,482 INFO [main.py:798]
{rank 0/64} MD step = 393700 step time: 00:00:00.340234 Performance: 37.484 ns/day 0.640 hours/ns 2.169 steps/s 2024-05-19 21:04:32,607 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393700 78740 70.923 -28363 7773.3 -36136 -36136 5.4185 -10.493 1.0623 7.4666e+05 2024-05-19 21:05:07,221 INFO [main.py:798]
{rank 0/64} MD step = 393800 step time: 00:00:00.349788 Performance: 37.485 ns/day 0.640 hours/ns 2.169 steps/s 2024-05-19 21:05:14,755 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393800 78760 70.675 -28259 7746.1 -36005 -36005 5.4142 -10.495 1.0623 7.4688e+05 2024-05-19 21:05:49,147 INFO [main.py:798]
{rank 0/64} MD step = 393900 step time: 00:00:00.358294 Performance: 37.486 ns/day 0.640 hours/ns 2.169 steps/s 2024-05-19 21:05:54,574 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393900 78780 70.163 -28519 7689.9 -36209 -36209 5.4102 -10.494 1.0616 7.4707e+05 2024-05-19 21:06:30,567 INFO [main.py:798]
{rank 0/64} MD step = 394000 step time: 00:00:00.347933 Performance: 37.487 ns/day 0.640 hours/ns 2.169 steps/s 2024-05-19 21:06:38,858 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394000 78800 69.888 -28497 7659.8 -36157 -36157 5.4073 -10.495 1.0622 7.4724e+05 2024-05-19 21:07:12,531 INFO [main.py:798]
{rank 0/64} MD step = 394100 step time: 00:00:00.338798 Performance: 37.488 ns/day 0.640 hours/ns 2.169 steps/s 2024-05-19 21:07:19,259 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394100 78820 69.886 -28375 7659.6 -36034 -36034 5.4046 -10.494 1.0618 7.4746e+05 2024-05-19 21:07:53,475 INFO [main.py:798]
{rank 0/64} MD step = 394200 step time: 00:00:00.356094 Performance: 37.489 ns/day 0.640 hours/ns 2.169 steps/s 2024-05-19 21:08:00,313 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394200 78840 70.663 -28329 7744.8 -36074 -36074 5.4033 -10.495 1.0629 7.4765e+05 2024-05-19 21:08:34,044 INFO [main.py:798]
{rank 0/64} MD step = 394300 step time: 00:00:00.344642 Performance: 37.490 ns/day 0.640 hours/ns 2.170 steps/s 2024-05-19 21:08:42,078 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394300 78860 70.787 -28295 7758.3 -36054 -36054 5.3996 -10.498 1.0647 7.4785e+05 2024-05-19 21:09:16,584 INFO [main.py:798]
{rank 0/64} MD step = 394400 step time: 00:00:00.352841 Performance: 37.491 ns/day 0.640 hours/ns 2.170 steps/s 2024-05-19 21:09:23,742 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394400 78880 69.952 -28583 7666.9 -36250 -36250 5.3974 -10.498 1.0654 7.4798e+05 2024-05-19 21:10:00,529 INFO [main.py:798]
{rank 0/64} MD step = 394500 step time: 00:00:00.370871 Performance: 37.491 ns/day 0.640 hours/ns 2.170 steps/s 2024-05-19 21:10:06,207 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394500 78900 70.295 -28336 7704.4 -36040 -36040 5.3945 -10.497 1.0667 7.4818e+05 2024-05-19 21:10:41,200 INFO [main.py:798]
{rank 0/64} MD step = 394600 step time: 00:00:00.357390 Performance: 37.492 ns/day 0.640 hours/ns 2.170 steps/s 2024-05-19 21:10:46,945 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394600 78920 70.823 -28277 7762.3 -36039 -36039 5.3929 -10.499 1.0667 7.4836e+05 2024-05-19 21:11:21,473 INFO [main.py:798]
{rank 0/64} MD step = 394700 step time: 00:00:00.347506 Performance: 37.493 ns/day 0.640 hours/ns 2.170 steps/s 2024-05-19 21:11:27,043 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394700 78940 70.888 -28376 7769.4 -36145 -36145 5.3901 -10.501 1.067 7.4854e+05 2024-05-19 21:12:03,522 INFO [main.py:798]
{rank 0/64} MD step = 394800 step time: 00:00:00.331894 Performance: 37.494 ns/day 0.640 hours/ns 2.170 steps/s 2024-05-19 21:12:08,485 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394800 78960 69.109 -28484 7574.4 -36058 -36058 5.3871 -10.502 1.0679 7.4874e+05 2024-05-19 21:12:43,035 INFO [main.py:798]
{rank 0/64} MD step = 394900 step time: 00:00:00.330549 Performance: 37.496 ns/day 0.640 hours/ns 2.170 steps/s 2024-05-19 21:12:48,759 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394900 78980 71.102 -28057 7792.9 -35850 -35850 5.3844 -10.501 1.068 7.4897e+05 2024-05-19 21:13:23,866 INFO [main.py:798]
{rank 0/64} MD step = 395000 step time: 00:00:00.355478 Performance: 37.497 ns/day 0.640 hours/ns 2.170 steps/s 2024-05-19 21:13:28,990 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 395000 79000 70.458 -28293 7722.3 -36015 -36015 5.3804 -10.503 1.0683 7.4915e+05 2024-05-19 21:14:04,071 INFO [main.py:798]
{rank 0/64} MD step = 395100 step time: 00:00:00.350326 Performance: 37.498 ns/day 0.640 hours/ns 2.170 steps/s 2024-05-19 21:14:09,218 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 395100 79020 69.541 -28522 7621.8 -36144 -36144 5.3786 -10.504 1.0691 7.4931e+05 2024-05-19 21:14:45,891 INFO [main.py:798]
{rank 0/64} MD step = 395200 step time: 00:00:00.330577 Performance: 37.499 ns/day 0.640 hours/ns 2.170 steps/s 2024-05-19 21:14:54,827 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 395200 79040 69.32 -28404 7597.6 -36002 -36002 5.3776 -10.505 1.069 7.4949e+05 2024-05-19 21:15:30,052 INFO [main.py:798]
{rank 0/64} MD step = 395300 step time: 00:00:00.327057 Performance: 37.499 ns/day 0.640 hours/ns 2.170 steps/s 2024-05-19 21:15:41,262 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 395300 79060 70.327 -28133 7707.9 -35841 -35841 5.3744 -10.504 1.0691 7.4969e+05 2024-05-19 21:16:16,195 INFO [main.py:798]
{rank 0/64} MD step = 395400 step time: 00:00:00.335485 Performance: 37.499 ns/day 0.640 hours/ns 2.170 steps/s 2024-05-19 21:16:30,976 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 395400 79080 71.275 -28138 7811.8 -35950 -35950 5.3711 -10.506 1.0719 7.4989e+05 2024-05-19 21:17:05,331 INFO [main.py:798]
{rank 0/64} MD step = 395500 step time: 00:00:00.352607 Performance: 37.499 ns/day 0.640 hours/ns 2.170 steps/s 2024-05-19 21:17:11,678 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 395500 79100 70.848 -28092 7765 -35857 -35857 5.3693 -10.506 1.0716 7.5008e+05 2024-05-19 21:17:46,076 INFO [main.py:798]
{rank 0/64} MD step = 395600 step time: 00:00:00.351792 Performance: 37.500 ns/day 0.640 hours/ns 2.170 steps/s 2024-05-19 21:17:53,675 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 395600 79120 69.027 -28328 7565.5 -35894 -35894 5.3681 -10.507 1.0734 7.5025e+05 2024-05-19 21:18:29,042 INFO [main.py:798]
{rank 0/64} MD step = 395700 step time: 00:00:00.326689 Performance: 37.500 ns/day 0.640 hours/ns 2.170 steps/s 2024-05-19 21:18:34,944 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 395700 79140 68.681 -28502 7527.5 -36029 -36029 5.3657 -10.508 1.0741 7.5044e+05 2024-05-19 21:19:09,721 INFO [main.py:798]
{rank 0/64} MD step = 395800 step time: 00:00:00.350337 Performance: 37.501 ns/day 0.640 hours/ns 2.170 steps/s 2024-05-19 21:19:15,394 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 395800 79160 70.345 -28356 7709.9 -36066 -36066 5.3614 -10.507 1.0737 7.5061e+05 2024-05-19 21:19:49,267 INFO [main.py:798]
{rank 0/64} MD step = 395900 step time: 00:00:00.346944 Performance: 37.503 ns/day 0.640 hours/ns 2.170 steps/s 2024-05-19 21:19:55,524 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 395900 79180 70.024 -28412 7674.7 -36087 -36087 5.3589 -10.507 1.0747 7.5082e+05 2024-05-19 21:20:30,105 INFO [main.py:798]
{rank 0/64} MD step = 396000 step time: 00:00:00.342970 Performance: 37.504 ns/day 0.640 hours/ns 2.170 steps/s 2024-05-19 21:20:37,158 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396000 79200 69.86 -28383 7656.7 -36040 -36040 5.3567 -10.507 1.0741 7.5101e+05 2024-05-19 21:21:13,401 INFO [main.py:798]
{rank 0/64} MD step = 396100 step time: 00:00:00.368378 Performance: 37.504 ns/day 0.640 hours/ns 2.170 steps/s 2024-05-19 21:21:18,383 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396100 79220 70.144 -28291 7687.9 -35979 -35979 5.3543 -10.507 1.074 7.5119e+05 2024-05-19 21:21:52,985 INFO [main.py:798]
{rank 0/64} MD step = 396200 step time: 00:00:00.353022 Performance: 37.506 ns/day 0.640 hours/ns 2.170 steps/s 2024-05-19 21:21:59,498 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396200 79240 69.606 -28461 7628.9 -36090 -36090 5.3527 -10.508 1.0733 7.5134e+05 2024-05-19 21:22:33,805 INFO [main.py:798]
{rank 0/64} MD step = 396300 step time: 00:00:00.337224 Performance: 37.507 ns/day 0.640 hours/ns 2.171 steps/s 2024-05-19 21:22:41,985 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396300 79260 69.361 -28579 7602.1 -36181 -36181 5.3485 -10.508 1.0734 7.5153e+05 2024-05-19 21:23:16,001 INFO [main.py:798]
{rank 0/64} MD step = 396400 step time: 00:00:00.336552 Performance: 37.508 ns/day 0.640 hours/ns 2.171 steps/s 2024-05-19 21:23:21,554 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396400 79280 70.625 -28276 7740.6 -36016 -36016 5.3454 -10.508 1.0734 7.5171e+05 2024-05-19 21:23:55,641 INFO [main.py:798]
{rank 0/64} MD step = 396500 step time: 00:00:00.342172 Performance: 37.509 ns/day 0.640 hours/ns 2.171 steps/s 2024-05-19 21:24:03,641 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396500 79300 69.315 -28465 7597 -36062 -36062 5.3433 -10.51 1.0725 7.519e+05 2024-05-19 21:24:37,994 INFO [main.py:798]
{rank 0/64} MD step = 396600 step time: 00:00:00.331272 Performance: 37.510 ns/day 0.640 hours/ns 2.171 steps/s 2024-05-19 21:24:44,442 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396600 79320 69.541 -28412 7621.8 -36034 -36034 5.341 -10.511 1.0703 7.5211e+05 2024-05-19 21:25:21,197 INFO [main.py:798]
{rank 0/64} MD step = 396700 step time: 00:00:00.325997 Performance: 37.510 ns/day 0.640 hours/ns 2.171 steps/s 2024-05-19 21:25:26,037 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396700 79340 69.371 -28455 7603.1 -36058 -36058 5.337 -10.511 1.0721 7.5229e+05 2024-05-19 21:26:02,411 INFO [main.py:798]
{rank 0/64} MD step = 396800 step time: 00:00:00.328218 Performance: 37.511 ns/day 0.640 hours/ns 2.171 steps/s 2024-05-19 21:26:08,049 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396800 79360 69.898 -28457 7660.9 -36118 -36118 5.3341 -10.512 1.0713 7.5249e+05 2024-05-19 21:26:42,798 INFO [main.py:798]
{rank 0/64} MD step = 396900 step time: 00:00:00.350460 Performance: 37.512 ns/day 0.640 hours/ns 2.171 steps/s 2024-05-19 21:26:49,139 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396900 79380 70.08 -28467 7680.9 -36148 -36148 5.3328 -10.513 1.0715 7.527e+05 2024-05-19 21:27:23,605 INFO [main.py:798]
{rank 0/64} MD step = 397000 step time: 00:00:00.352497 Performance: 37.513 ns/day 0.640 hours/ns 2.171 steps/s 2024-05-19 21:27:29,450 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397000 79400 69.803 -28364 7650.5 -36015 -36015 5.3292 -10.512 1.0707 7.5289e+05 2024-05-19 21:28:04,133 INFO [main.py:798]
{rank 0/64} MD step = 397100 step time: 00:00:00.342105 Performance: 37.515 ns/day 0.640 hours/ns 2.171 steps/s 2024-05-19 21:28:15,641 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397100 79420 70.617 -28465 7739.7 -36205 -36205 5.3249 -10.513 1.0714 7.5307e+05 2024-05-19 21:28:49,518 INFO [main.py:798]
{rank 0/64} MD step = 397200 step time: 00:00:00.329218 Performance: 37.515 ns/day 0.640 hours/ns 2.171 steps/s 2024-05-19 21:28:55,862 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397200 79440 71.215 -28176 7805.2 -35982 -35982 5.3228 -10.514 1.0715 7.5328e+05 2024-05-19 21:29:30,622 INFO [main.py:798]
{rank 0/64} MD step = 397300 step time: 00:00:00.333383 Performance: 37.516 ns/day 0.640 hours/ns 2.171 steps/s 2024-05-19 21:29:40,353 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397300 79460 70.471 -28103 7723.7 -35826 -35826 5.3192 -10.515 1.0713 7.535e+05 2024-05-19 21:30:14,640 INFO [main.py:798]
{rank 0/64} MD step = 397400 step time: 00:00:00.332080 Performance: 37.516 ns/day 0.640 hours/ns 2.171 steps/s 2024-05-19 21:30:23,422 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397400 79480 70.34 -28320 7709.3 -36030 -36030 5.3157 -10.515 1.0712 7.5366e+05 2024-05-19 21:30:57,504 INFO [main.py:798]
{rank 0/64} MD step = 397500 step time: 00:00:00.354060 Performance: 37.517 ns/day 0.640 hours/ns 2.171 steps/s 2024-05-19 21:31:05,477 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397500 79500 70.133 -28405 7686.6 -36091 -36091 5.3127 -10.518 1.0707 7.5386e+05 2024-05-19 21:31:39,979 INFO [main.py:798]
{rank 0/64} MD step = 397600 step time: 00:00:00.340449 Performance: 37.518 ns/day 0.640 hours/ns 2.171 steps/s 2024-05-19 21:31:46,431 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397600 79520 70.691 -28265 7747.8 -36013 -36013 5.3101 -10.518 1.0712 7.5405e+05 2024-05-19 21:32:21,587 INFO [main.py:798]
{rank 0/64} MD step = 397700 step time: 00:00:00.352610 Performance: 37.518 ns/day 0.640 hours/ns 2.171 steps/s 2024-05-19 21:32:28,100 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397700 79540 69.641 -28386 7632.8 -36019 -36019 5.3078 -10.519 1.0721 7.5425e+05 2024-05-19 21:33:02,939 INFO [main.py:798]
{rank 0/64} MD step = 397800 step time: 00:00:00.349818 Performance: 37.519 ns/day 0.640 hours/ns 2.171 steps/s 2024-05-19 21:33:09,506 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397800 79560 70.951 -28269 7776.3 -36046 -36046 5.3038 -10.519 1.071 7.5442e+05 2024-05-19 21:33:43,946 INFO [main.py:798]
{rank 0/64} MD step = 397900 step time: 00:00:00.345836 Performance: 37.520 ns/day 0.640 hours/ns 2.171 steps/s 2024-05-19 21:33:49,904 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397900 79580 68.926 -28354 7554.4 -35909 -35909 5.3005 -10.521 1.0713 7.5464e+05 2024-05-19 21:34:24,099 INFO [main.py:798]
{rank 0/64} MD step = 398000 step time: 00:00:00.358662 Performance: 37.522 ns/day 0.640 hours/ns 2.171 steps/s 2024-05-19 21:34:30,483 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398000 79600 70.244 -28383 7698.9 -36082 -36082 5.2966 -10.522 1.0706 7.548e+05 2024-05-19 21:35:06,298 INFO [main.py:798]
{rank 0/64} MD step = 398100 step time: 00:00:00.369325 Performance: 37.522 ns/day 0.640 hours/ns 2.171 steps/s 2024-05-19 21:35:13,904 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398100 79620 70.054 -28292 7678 -35970 -35970 5.293 -10.524 1.0707 7.5501e+05 2024-05-19 21:35:48,178 INFO [main.py:798]
{rank 0/64} MD step = 398200 step time: 00:00:00.345639 Performance: 37.523 ns/day 0.640 hours/ns 2.171 steps/s 2024-05-19 21:35:55,618 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398200 79640 70.309 -28382 7706 -36088 -36088 5.2916 -10.525 1.0717 7.5519e+05 2024-05-19 21:36:29,473 INFO [main.py:798]
{rank 0/64} MD step = 398300 step time: 00:00:00.325936 Performance: 37.524 ns/day 0.640 hours/ns 2.172 steps/s 2024-05-19 21:36:39,250 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398300 79660 69.547 -28278 7622.4 -35901 -35901 5.2892 -10.527 1.0719 7.554e+05 2024-05-19 21:37:14,327 INFO [main.py:798]
{rank 0/64} MD step = 398400 step time: 00:00:00.327014 Performance: 37.525 ns/day 0.640 hours/ns 2.172 steps/s 2024-05-19 21:37:20,676 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398400 79680 70.844 -28230 7764.6 -35995 -35995 5.2847 -10.527 1.0704 7.556e+05 2024-05-19 21:37:55,669 INFO [main.py:798]
{rank 0/64} MD step = 398500 step time: 00:00:00.331635 Performance: 37.526 ns/day 0.640 hours/ns 2.172 steps/s 2024-05-19 21:38:00,807 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398500 79700 69.989 -28338 7670.9 -36009 -36009 5.2816 -10.527 1.0702 7.5579e+05 2024-05-19 21:38:35,240 INFO [main.py:798]
{rank 0/64} MD step = 398600 step time: 00:00:00.338791 Performance: 37.527 ns/day 0.640 hours/ns 2.172 steps/s 2024-05-19 21:38:41,389 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398600 79720 69.917 -28351 7663 -36014 -36014 5.2784 -10.527 1.0709 7.5596e+05 2024-05-19 21:39:16,386 INFO [main.py:798]
{rank 0/64} MD step = 398700 step time: 00:00:00.354966 Performance: 37.528 ns/day 0.640 hours/ns 2.172 steps/s 2024-05-19 21:39:23,474 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398700 79740 70.201 -28293 7694.1 -35987 -35987 5.276 -10.529 1.0713 7.5615e+05 2024-05-19 21:39:57,870 INFO [main.py:798]
{rank 0/64} MD step = 398800 step time: 00:00:00.336925 Performance: 37.529 ns/day 0.640 hours/ns 2.172 steps/s 2024-05-19 21:40:03,445 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398800 79760 70.392 -28339 7715 -36054 -36054 5.2727 -10.53 1.0708 7.5634e+05 2024-05-19 21:40:38,034 INFO [main.py:798]
{rank 0/64} MD step = 398900 step time: 00:00:00.337949 Performance: 37.530 ns/day 0.639 hours/ns 2.172 steps/s 2024-05-19 21:40:44,370 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398900 79780 70.145 -28230 7687.9 -35918 -35918 5.2701 -10.532 1.0714 7.5653e+05 2024-05-19 21:41:21,087 INFO [main.py:798]
{rank 0/64} MD step = 399000 step time: 00:00:00.376500 Performance: 37.531 ns/day 0.639 hours/ns 2.172 steps/s 2024-05-19 21:41:26,432 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 399000 79800 69.48 -28321 7615.1 -35936 -35936 5.2665 -10.534 1.0731 7.5671e+05 2024-05-19 21:42:00,663 INFO [main.py:798]
{rank 0/64} MD step = 399100 step time: 00:00:00.346508 Performance: 37.532 ns/day 0.639 hours/ns 2.172 steps/s 2024-05-19 21:42:07,093 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 399100 79820 70.024 -28309 7674.7 -35984 -35984 5.2646 -10.535 1.0742 7.5691e+05 2024-05-19 21:42:41,927 INFO [main.py:798]
{rank 0/64} MD step = 399200 step time: 00:00:00.355981 Performance: 37.533 ns/day 0.639 hours/ns 2.172 steps/s 2024-05-19 21:42:48,206 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 399200 79840 69.77 -28349 7646.9 -35996 -35996 5.2631 -10.538 1.0755 7.5711e+05 2024-05-19 21:43:24,769 INFO [main.py:798]
{rank 0/64} MD step = 399300 step time: 00:00:00.379990 Performance: 37.534 ns/day 0.639 hours/ns 2.172 steps/s 2024-05-19 21:43:29,063 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 399300 79860 69.846 -28271 7655.2 -35926 -35926 5.2605 -10.538 1.0747 7.5726e+05 2024-05-19 21:44:05,113 INFO [main.py:798]
{rank 0/64} MD step = 399400 step time: 00:00:00.358850 Performance: 37.535 ns/day 0.639 hours/ns 2.172 steps/s 2024-05-19 21:44:11,426 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 399400 79880 70.416 -28146 7717.7 -35864 -35864 5.2588 -10.539 1.0756 7.5749e+05 2024-05-19 21:44:45,708 INFO [main.py:798]
{rank 0/64} MD step = 399500 step time: 00:00:00.339961 Performance: 37.536 ns/day 0.639 hours/ns 2.172 steps/s 2024-05-19 21:44:53,076 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 399500 79900 71.281 -28169 7812.5 -35982 -35982 5.256 -10.538 1.0776 7.5766e+05 2024-05-19 21:45:28,457 INFO [main.py:798]
{rank 0/64} MD step = 399600 step time: 00:00:00.374193 Performance: 37.536 ns/day 0.639 hours/ns 2.172 steps/s 2024-05-19 21:45:35,124 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 399600 79920 70.323 -28227 7707.4 -35935 -35935 5.2543 -10.539 1.0772 7.5784e+05 2024-05-19 21:46:11,481 INFO [main.py:798]
{rank 0/64} MD step = 399700 step time: 00:00:00.369665 Performance: 37.537 ns/day 0.639 hours/ns 2.172 steps/s 2024-05-19 21:46:16,864 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 399700 79940 69.024 -28456 7565.1 -36021 -36021 5.2507 -10.54 1.0771 7.5803e+05 2024-05-19 21:46:53,047 INFO [main.py:798]
{rank 0/64} MD step = 399800 step time: 00:00:00.377402 Performance: 37.538 ns/day 0.639 hours/ns 2.172 steps/s 2024-05-19 21:46:59,749 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 399800 79960 70.064 -28271 7679.1 -35950 -35950 5.2486 -10.54 1.0769 7.5824e+05 2024-05-19 21:47:33,631 INFO [main.py:798]
{rank 0/64} MD step = 399900 step time: 00:00:00.335667 Performance: 37.539 ns/day 0.639 hours/ns 2.172 steps/s 2024-05-19 21:47:39,903 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 399900 79980 70.239 -28337 7698.2 -36036 -36036 5.2479 -10.541 1.0789 7.5843e+05 2024-05-19 21:48:14,078 INFO [main.py:798]
{rank 0/64} MD step = 400000 step time: 00:00:00.344338 Performance: 37.540 ns/day 0.639 hours/ns 2.172 steps/s 2024-05-19 21:48:20,191 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400000 80000 70.208 -28348 7694.9 -36042 -36042 5.2469 -10.543 1.0805 7.5861e+05 2024-05-19 21:48:54,464 INFO [main.py:798]
{rank 0/64} MD step = 400100 step time: 00:00:00.351580 Performance: 37.541 ns/day 0.639 hours/ns 2.173 steps/s 2024-05-19 21:49:00,159 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400100 80020 70.751 -28345 7754.4 -36100 -36100 5.2462 -10.544 1.0802 7.5876e+05 2024-05-19 21:49:35,149 INFO [main.py:798]
{rank 0/64} MD step = 400200 step time: 00:00:00.357620 Performance: 37.542 ns/day 0.639 hours/ns 2.173 steps/s 2024-05-19 21:49:40,684 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400200 80040 68.192 -28577 7473.9 -36051 -36051 5.2426 -10.545 1.0795 7.5896e+05 2024-05-19 21:50:15,877 INFO [main.py:798]
{rank 0/64} MD step = 400300 step time: 00:00:00.343995 Performance: 37.544 ns/day 0.639 hours/ns 2.173 steps/s 2024-05-19 21:50:20,992 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400300 80060 69.847 -28185 7655.3 -35840 -35840 5.2395 -10.545 1.0784 7.5916e+05 2024-05-19 21:50:54,161 INFO [main.py:798]
{rank 0/64} MD step = 400400 step time: 00:00:00.343849 Performance: 37.545 ns/day 0.639 hours/ns 2.173 steps/s 2024-05-19 21:50:59,378 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400400 80080 70.727 -28266 7751.8 -36018 -36018 5.2376 -10.545 1.0795 7.5932e+05 2024-05-19 21:51:33,975 INFO [main.py:798]
{rank 0/64} MD step = 400500 step time: 00:00:00.331086 Performance: 37.546 ns/day 0.639 hours/ns 2.173 steps/s 2024-05-19 21:51:40,013 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400500 80100 69.795 -28471 7649.6 -36120 -36120 5.2365 -10.545 1.0803 7.5952e+05 2024-05-19 21:52:14,333 INFO [main.py:798]
{rank 0/64} MD step = 400600 step time: 00:00:00.337211 Performance: 37.548 ns/day 0.639 hours/ns 2.173 steps/s 2024-05-19 21:52:20,525 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400600 80120 69.822 -28598 7652.6 -36251 -36251 5.2324 -10.545 1.081 7.597e+05 2024-05-19 21:52:54,956 INFO [main.py:798]
{rank 0/64} MD step = 400700 step time: 00:00:00.364457 Performance: 37.549 ns/day 0.639 hours/ns 2.173 steps/s 2024-05-19 21:53:03,249 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400700 80140 70.848 -28421 7765.1 -36186 -36186 5.2297 -10.546 1.0811 7.5992e+05 2024-05-19 21:53:38,266 INFO [main.py:798]
{rank 0/64} MD step = 400800 step time: 00:00:00.353967 Performance: 37.549 ns/day 0.639 hours/ns 2.173 steps/s 2024-05-19 21:53:44,836 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400800 80160 70.457 -28457 7722.2 -36179 -36179 5.2272 -10.547 1.0815 7.6008e+05 2024-05-19 21:54:18,853 INFO [main.py:798]
{rank 0/64} MD step = 400900 step time: 00:00:00.346802 Performance: 37.550 ns/day 0.639 hours/ns 2.173 steps/s 2024-05-19 21:54:25,503 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400900 80180 68.877 -28518 7549 -36067 -36067 5.2237 -10.546 1.0798 7.6031e+05 2024-05-19 21:55:00,601 INFO [main.py:798]
{rank 0/64} MD step = 401000 step time: 00:00:00.337470 Performance: 37.551 ns/day 0.639 hours/ns 2.173 steps/s 2024-05-19 21:55:07,457 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 401000 80200 70.044 -28480 7676.9 -36157 -36157 5.2214 -10.547 1.081 7.6047e+05 2024-05-19 21:55:42,283 INFO [main.py:798]
{rank 0/64} MD step = 401100 step time: 00:00:00.348150 Performance: 37.552 ns/day 0.639 hours/ns 2.173 steps/s 2024-05-19 21:55:50,244 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 401100 80220 69.669 -28600 7635.8 -36235 -36235 5.2182 -10.546 1.0809 7.6065e+05 2024-05-19 21:56:24,844 INFO [main.py:798]
{rank 0/64} MD step = 401200 step time: 00:00:00.356760 Performance: 37.553 ns/day 0.639 hours/ns 2.173 steps/s 2024-05-19 21:56:31,758 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 401200 80240 70.249 -28579 7699.4 -36278 -36278 5.2172 -10.546 1.0817 7.6083e+05 2024-05-19 21:57:06,307 INFO [main.py:798]
{rank 0/64} MD step = 401300 step time: 00:00:00.346379 Performance: 37.554 ns/day 0.639 hours/ns 2.173 steps/s 2024-05-19 21:57:13,062 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 401300 80260 70.261 -28601 7700.7 -36302 -36302 5.2155 -10.547 1.0833 7.61e+05 2024-05-19 21:57:48,239 INFO [main.py:798]
{rank 0/64} MD step = 401400 step time: 00:00:00.369383 Performance: 37.555 ns/day 0.639 hours/ns 2.173 steps/s 2024-05-19 21:57:54,326 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 401400 80280 70.327 -28535 7707.9 -36243 -36243 5.2138 -10.547 1.0831 7.612e+05 2024-05-19 21:58:28,882 INFO [main.py:798]
{rank 0/64} MD step = 401500 step time: 00:00:00.358072 Performance: 37.556 ns/day 0.639 hours/ns 2.173 steps/s 2024-05-19 21:58:35,705 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 401500 80300 69.263 -28519 7591.3 -36110 -36110 5.2107 -10.548 1.0841 7.6141e+05 2024-05-19 21:59:10,327 INFO [main.py:798]
{rank 0/64} MD step = 401600 step time: 00:00:00.350137 Performance: 37.557 ns/day 0.639 hours/ns 2.173 steps/s 2024-05-19 21:59:17,397 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 401600 80320 70.173 -28478 7691.1 -36169 -36169 5.209 -10.546 1.0825 7.6157e+05 2024-05-19 21:59:52,498 INFO [main.py:798]
{rank 0/64} MD step = 401700 step time: 00:00:00.366485 Performance: 37.557 ns/day 0.639 hours/ns 2.173 steps/s 2024-05-19 21:59:58,805 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 401700 80340 70.473 -28417 7723.9 -36141 -36141 5.2055 -10.547 1.0829 7.6178e+05 2024-05-19 22:00:33,104 INFO [main.py:798]
{rank 0/64} MD step = 401800 step time: 00:00:00.352036 Performance: 37.558 ns/day 0.639 hours/ns 2.174 steps/s 2024-05-19 22:00:39,024 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 401800 80360 69.482 -28601 7615.3 -36216 -36216 5.2033 -10.547 1.0821 7.6193e+05 2024-05-19 22:01:13,974 INFO [main.py:798]
{rank 0/64} MD step = 401900 step time: 00:00:00.357888 Performance: 37.559 ns/day 0.639 hours/ns 2.174 steps/s 2024-05-19 22:01:20,487 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 401900 80380 70.773 -28569 7756.8 -36325 -36325 5.2008 -10.549 1.083 7.6214e+05 2024-05-19 22:01:55,183 INFO [main.py:798]
{rank 0/64} MD step = 402000 step time: 00:00:00.359171 Performance: 37.560 ns/day 0.639 hours/ns 2.174 steps/s 2024-05-19 22:02:01,704 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 402000 80400 70.337 -28527 7709 -36236 -36236 5.1996 -10.548 1.0844 7.623e+05 2024-05-19 22:02:36,225 INFO [main.py:798]
{rank 0/64} MD step = 402100 step time: 00:00:00.347038 Performance: 37.561 ns/day 0.639 hours/ns 2.174 steps/s 2024-05-19 22:02:42,404 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 402100 80420 69.535 -28550 7621.1 -36171 -36171 5.196 -10.547 1.0842 7.6248e+05 2024-05-19 22:03:17,047 INFO [main.py:798]
{rank 0/64} MD step = 402200 step time: 00:00:00.349683 Performance: 37.563 ns/day 0.639 hours/ns 2.174 steps/s 2024-05-19 22:03:22,552 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 402200 80440 69.111 -28547 7574.6 -36122 -36122 5.1921 -10.549 1.0829 7.627e+05 2024-05-19 22:03:57,468 INFO [main.py:798]
{rank 0/64} MD step = 402300 step time: 00:00:00.348484 Performance: 37.564 ns/day 0.639 hours/ns 2.174 steps/s 2024-05-19 22:04:03,796 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 402300 80460 70.033 -28559 7675.7 -36235 -36235 5.1901 -10.551 1.0836 7.6287e+05 2024-05-19 22:04:38,481 INFO [main.py:798]
{rank 0/64} MD step = 402400 step time: 00:00:00.348027 Performance: 37.565 ns/day 0.639 hours/ns 2.174 steps/s 2024-05-19 22:04:43,905 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 402400 80480 69.646 -28590 7633.3 -36223 -36223 5.1888 -10.551 1.0827 7.6308e+05 2024-05-19 22:05:20,413 INFO [main.py:798]
{rank 0/64} MD step = 402500 step time: 00:00:00.375818 Performance: 37.565 ns/day 0.639 hours/ns 2.174 steps/s 2024-05-19 22:05:25,998 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 402500 80500 69.461 -28534 7613 -36147 -36147 5.1867 -10.55 1.0833 7.6324e+05 2024-05-19 22:06:00,037 INFO [main.py:798]
{rank 0/64} MD step = 402600 step time: 00:00:00.340801 Performance: 37.567 ns/day 0.639 hours/ns 2.174 steps/s 2024-05-19 22:06:15,203 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 402600 80520 69.897 -28481 7660.8 -36142 -36142 5.1835 -10.55 1.0826 7.6342e+05 2024-05-19 22:06:49,673 INFO [main.py:798]
{rank 0/64} MD step = 402700 step time: 00:00:00.327418 Performance: 37.566 ns/day 0.639 hours/ns 2.174 steps/s 2024-05-19 22:06:56,691 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 402700 80540 70.405 -28348 7716.4 -36065 -36065 5.1809 -10.551 1.0842 7.6363e+05 2024-05-19 22:07:31,340 INFO [main.py:798]
{rank 0/64} MD step = 402800 step time: 00:00:00.331071 Performance: 37.567 ns/day 0.639 hours/ns 2.174 steps/s 2024-05-19 22:07:40,742 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 402800 80560 69.322 -28648 7597.8 -36246 -36246 5.179 -10.55 1.085 7.6379e+05 2024-05-19 22:08:17,338 INFO [main.py:798]
{rank 0/64} MD step = 402900 step time: 00:00:00.369447 Performance: 37.567 ns/day 0.639 hours/ns 2.174 steps/s 2024-05-19 22:08:26,074 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 402900 80580 70.228 -28522 7697.1 -36219 -36219 5.1775 -10.549 1.0855 7.64e+05 2024-05-19 22:08:58,484 INFO [main.py:798]
{rank 0/64} MD step = 403000 step time: 00:00:00.327130 Performance: 37.568 ns/day 0.639 hours/ns 2.174 steps/s 2024-05-19 22:09:05,901 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 403000 80600 68.62 -28687 7520.9 -36208 -36208 5.176 -10.549 1.0861 7.642e+05 2024-05-19 22:09:40,087 INFO [main.py:798]
{rank 0/64} MD step = 403100 step time: 00:00:00.325581 Performance: 37.569 ns/day 0.639 hours/ns 2.174 steps/s 2024-05-19 22:09:48,647 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 403100 80620 70.117 -28429 7684.9 -36114 -36114 5.1735 -10.55 1.0856 7.6438e+05 2024-05-19 22:10:24,992 INFO [main.py:798]
{rank 0/64} MD step = 403200 step time: 00:00:00.339428 Performance: 37.569 ns/day 0.639 hours/ns 2.174 steps/s 2024-05-19 22:10:38,256 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 403200 80640 69.215 -28463 7586 -36049 -36049 5.1716 -10.549 1.0876 7.6456e+05 2024-05-19 22:11:12,667 INFO [main.py:798]
{rank 0/64} MD step = 403300 step time: 00:00:00.331111 Performance: 37.569 ns/day 0.639 hours/ns 2.174 steps/s 2024-05-19 22:11:16,878 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 403300 80660 70.325 -28687 7707.7 -36395 -36395 5.1697 -10.549 1.0865 7.647e+05 2024-05-19 22:11:52,770 INFO [main.py:798]
{rank 0/64} MD step = 403400 step time: 00:00:00.326467 Performance: 37.570 ns/day 0.639 hours/ns 2.174 steps/s 2024-05-19 22:11:58,220 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 403400 80680 70.675 -28350 7746 -36096 -36096 5.1673 -10.55 1.0869 7.6492e+05 2024-05-19 22:12:32,261 INFO [main.py:798]
{rank 0/64} MD step = 403500 step time: 00:00:00.341798 Performance: 37.571 ns/day 0.639 hours/ns 2.174 steps/s 2024-05-19 22:12:38,321 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 403500 80700 70.672 -28413 7745.8 -36159 -36159 5.1644 -10.55 1.0868 7.6511e+05 2024-05-19 22:13:13,023 INFO [main.py:798]
{rank 0/64} MD step = 403600 step time: 00:00:00.371537 Performance: 37.572 ns/day 0.639 hours/ns 2.174 steps/s 2024-05-19 22:13:18,555 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 403600 80720 70.661 -28444 7744.5 -36189 -36189 5.1617 -10.549 1.087 7.6528e+05 2024-05-19 22:13:53,930 INFO [main.py:798]
{rank 0/64} MD step = 403700 step time: 00:00:00.356506 Performance: 37.573 ns/day 0.639 hours/ns 2.174 steps/s 2024-05-19 22:13:59,501 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 403700 80740 69.753 -28423 7645 -36068 -36068 5.1594 -10.55 1.0873 7.655e+05 2024-05-19 22:14:33,837 INFO [main.py:798]
{rank 0/64} MD step = 403800 step time: 00:00:00.351218 Performance: 37.574 ns/day 0.639 hours/ns 2.174 steps/s 2024-05-19 22:14:40,259 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 403800 80760 70.182 -28496 7692.1 -36188 -36188 5.156 -10.55 1.0878 7.6571e+05 2024-05-19 22:15:14,883 INFO [main.py:798]
{rank 0/64} MD step = 403900 step time: 00:00:00.337851 Performance: 37.575 ns/day 0.639 hours/ns 2.175 steps/s 2024-05-19 22:15:20,523 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 403900 80780 69.647 -28558 7633.4 -36191 -36191 5.1528 -10.552 1.0884 7.6591e+05 2024-05-19 22:15:55,061 INFO [main.py:798]
{rank 0/64} MD step = 404000 step time: 00:00:00.354085 Performance: 37.577 ns/day 0.639 hours/ns 2.175 steps/s 2024-05-19 22:16:01,521 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 404000 80800 70.769 -28587 7756.3 -36344 -36344 5.151 -10.554 1.0891 7.6607e+05 2024-05-19 22:16:35,624 INFO [main.py:798]
{rank 0/64} MD step = 404100 step time: 00:00:00.336612 Performance: 37.578 ns/day 0.639 hours/ns 2.175 steps/s 2024-05-19 22:16:42,137 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 404100 80820 69.98 -28474 7669.9 -36144 -36144 5.1495 -10.555 1.0904 7.663e+05 2024-05-19 22:17:16,167 INFO [main.py:798]
{rank 0/64} MD step = 404200 step time: 00:00:00.336031 Performance: 37.579 ns/day 0.639 hours/ns 2.175 steps/s 2024-05-19 22:17:22,634 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 404200 80840 69.837 -28573 7654.3 -36227 -36227 5.1474 -10.556 1.0908 7.6646e+05 2024-05-19 22:17:56,968 INFO [main.py:798]
{rank 0/64} MD step = 404300 step time: 00:00:00.353975 Performance: 37.580 ns/day 0.639 hours/ns 2.175 steps/s 2024-05-19 22:18:02,598 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 404300 80860 69.48 -28627 7615.1 -36242 -36242 5.1437 -10.557 1.0917 7.6664e+05 2024-05-19 22:18:37,472 INFO [main.py:798]
{rank 0/64} MD step = 404400 step time: 00:00:00.367228 Performance: 37.581 ns/day 0.639 hours/ns 2.175 steps/s 2024-05-19 22:18:43,928 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 404400 80880 69.812 -28513 7651.5 -36164 -36164 5.1411 -10.556 1.0919 7.6687e+05 2024-05-19 22:19:17,591 INFO [main.py:798]
{rank 0/64} MD step = 404500 step time: 00:00:00.342378 Performance: 37.582 ns/day 0.639 hours/ns 2.175 steps/s 2024-05-19 22:19:24,677 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 404500 80900 69.797 -28635 7649.9 -36285 -36285 5.138 -10.555 1.092 7.6707e+05 2024-05-19 22:19:59,055 INFO [main.py:798]
{rank 0/64} MD step = 404600 step time: 00:00:00.343416 Performance: 37.583 ns/day 0.639 hours/ns 2.175 steps/s 2024-05-19 22:20:06,047 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 404600 80920 69.813 -28695 7651.5 -36347 -36347 5.1345 -10.555 1.0918 7.6727e+05 2024-05-19 22:20:41,091 INFO [main.py:798]
{rank 0/64} MD step = 404700 step time: 00:00:00.368380 Performance: 37.584 ns/day 0.639 hours/ns 2.175 steps/s 2024-05-19 22:20:46,814 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 404700 80940 70.065 -28528 7679.2 -36207 -36207 5.1307 -10.556 1.0908 7.6747e+05 2024-05-19 22:21:21,359 INFO [main.py:798]
{rank 0/64} MD step = 404800 step time: 00:00:00.339756 Performance: 37.585 ns/day 0.639 hours/ns 2.175 steps/s 2024-05-19 22:21:25,879 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 404800 80960 69.249 -28617 7589.7 -36207 -36207 5.1272 -10.558 1.0918 7.6768e+05 2024-05-19 22:22:03,890 INFO [main.py:798]
{rank 0/64} MD step = 404900 step time: 00:00:00.365771 Performance: 37.586 ns/day 0.639 hours/ns 2.175 steps/s 2024-05-19 22:22:11,353 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 404900 80980 71.336 -28413 7818.6 -36232 -36232 5.1227 -10.559 1.0923 7.6786e+05 2024-05-19 22:22:45,628 INFO [main.py:798]
{rank 0/64} MD step = 405000 step time: 00:00:00.356735 Performance: 37.587 ns/day 0.639 hours/ns 2.175 steps/s 2024-05-19 22:22:53,754 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 405000 81000 70.356 -28579 7711.1 -36290 -36290 5.1195 -10.56 1.0917 7.6803e+05 2024-05-19 22:23:27,800 INFO [main.py:798]
{rank 0/64} MD step = 405100 step time: 00:00:00.344997 Performance: 37.587 ns/day 0.639 hours/ns 2.175 steps/s 2024-05-19 22:23:34,780 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 405100 81020 70.047 -28647 7677.2 -36324 -36324 5.1175 -10.56 1.0919 7.682e+05 2024-05-19 22:24:09,196 INFO [main.py:798]
{rank 0/64} MD step = 405200 step time: 00:00:00.325800 Performance: 37.588 ns/day 0.638 hours/ns 2.175 steps/s 2024-05-19 22:24:16,660 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 405200 81040 69.751 -28574 7644.8 -36219 -36219 5.1149 -10.562 1.0929 7.6844e+05 2024-05-19 22:24:51,909 INFO [main.py:798]
{rank 0/64} MD step = 405300 step time: 00:00:00.326993 Performance: 37.589 ns/day 0.638 hours/ns 2.175 steps/s 2024-05-19 22:24:58,431 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 405300 81060 69.639 -28545 7632.5 -36178 -36178 5.1099 -10.562 1.0933 7.6862e+05 2024-05-19 22:25:33,251 INFO [main.py:798]
{rank 0/64} MD step = 405400 step time: 00:00:00.326042 Performance: 37.590 ns/day 0.638 hours/ns 2.175 steps/s 2024-05-19 22:25:39,174 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 405400 81080 69.909 -28555 7662.1 -36217 -36217 5.1079 -10.563 1.0929 7.6883e+05 2024-05-19 22:26:14,555 INFO [main.py:798]
{rank 0/64} MD step = 405500 step time: 00:00:00.325233 Performance: 37.591 ns/day 0.638 hours/ns 2.175 steps/s 2024-05-19 22:26:21,111 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 405500 81100 69.347 -28453 7600.5 -36053 -36053 5.1066 -10.564 1.0922 7.6901e+05 2024-05-19 22:26:55,735 INFO [main.py:798]
{rank 0/64} MD step = 405600 step time: 00:00:00.326821 Performance: 37.592 ns/day 0.638 hours/ns 2.175 steps/s 2024-05-19 22:27:07,682 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 405600 81120 69.984 -28446 7670.3 -36116 -36116 5.105 -10.564 1.0922 7.6921e+05 2024-05-19 22:27:42,119 INFO [main.py:798]
{rank 0/64} MD step = 405700 step time: 00:00:00.344693 Performance: 37.592 ns/day 0.638 hours/ns 2.175 steps/s 2024-05-19 22:27:48,702 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 405700 81140 69.2 -28632 7584.4 -36216 -36216 5.1012 -10.566 1.0913 7.6942e+05 2024-05-19 22:28:23,376 INFO [main.py:798]
{rank 0/64} MD step = 405800 step time: 00:00:00.348691 Performance: 37.593 ns/day 0.638 hours/ns 2.176 steps/s 2024-05-19 22:28:29,375 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 405800 81160 70.521 -28548 7729.2 -36277 -36277 5.0986 -10.566 1.0907 7.6961e+05 2024-05-19 22:29:03,909 INFO [main.py:798]
{rank 0/64} MD step = 405900 step time: 00:00:00.373595 Performance: 37.594 ns/day 0.638 hours/ns 2.176 steps/s 2024-05-19 22:29:10,484 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 405900 81180 70.497 -28466 7726.6 -36192 -36192 5.0937 -10.566 1.0916 7.698e+05 2024-05-19 22:29:44,832 INFO [main.py:798]
{rank 0/64} MD step = 406000 step time: 00:00:00.360993 Performance: 37.595 ns/day 0.638 hours/ns 2.176 steps/s 2024-05-19 22:29:49,213 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 406000 81200 70.674 -28457 7745.9 -36203 -36203 5.0904 -10.566 1.0923 7.6999e+05 2024-05-19 22:30:24,569 INFO [main.py:798]
{rank 0/64} MD step = 406100 step time: 00:00:00.337608 Performance: 37.596 ns/day 0.638 hours/ns 2.176 steps/s 2024-05-19 22:30:31,067 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 406100 81220 69.852 -28578 7655.9 -36234 -36234 5.0889 -10.566 1.0917 7.702e+05 2024-05-19 22:31:05,954 INFO [main.py:798]
{rank 0/64} MD step = 406200 step time: 00:00:00.340643 Performance: 37.597 ns/day 0.638 hours/ns 2.176 steps/s 2024-05-19 22:31:12,217 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 406200 81240 69.742 -28635 7643.8 -36278 -36278 5.0861 -10.565 1.0915 7.7035e+05 2024-05-19 22:31:46,875 INFO [main.py:798]
{rank 0/64} MD step = 406300 step time: 00:00:00.350465 Performance: 37.598 ns/day 0.638 hours/ns 2.176 steps/s 2024-05-19 22:31:52,671 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 406300 81260 70.165 -28519 7690.2 -36210 -36210 5.0831 -10.566 1.0916 7.7053e+05 2024-05-19 22:32:26,617 INFO [main.py:798]
{rank 0/64} MD step = 406400 step time: 00:00:00.374057 Performance: 37.599 ns/day 0.638 hours/ns 2.176 steps/s 2024-05-19 22:32:32,341 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 406400 81280 68.799 -28627 7540.5 -36168 -36168 5.0824 -10.567 1.0925 7.707e+05 2024-05-19 22:33:06,060 INFO [main.py:798]
{rank 0/64} MD step = 406500 step time: 00:00:00.333417 Performance: 37.601 ns/day 0.638 hours/ns 2.176 steps/s 2024-05-19 22:33:11,786 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 406500 81300 71.266 -28597 7810.8 -36407 -36407 5.0811 -10.566 1.0908 7.7088e+05 2024-05-19 22:33:45,988 INFO [main.py:798]
{rank 0/64} MD step = 406600 step time: 00:00:00.366100 Performance: 37.602 ns/day 0.638 hours/ns 2.176 steps/s 2024-05-19 22:33:51,994 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 406600 81320 69.374 -28641 7603.5 -36244 -36244 5.0795 -10.567 1.0911 7.711e+05 2024-05-19 22:34:26,885 INFO [main.py:798]
{rank 0/64} MD step = 406700 step time: 00:00:00.327939 Performance: 37.603 ns/day 0.638 hours/ns 2.176 steps/s 2024-05-19 22:34:33,209 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 406700 81340 71.122 -28532 7795 -36327 -36327 5.0774 -10.568 1.0893 7.7129e+05 2024-05-19 22:35:06,791 INFO [main.py:798]
{rank 0/64} MD step = 406800 step time: 00:00:00.326318 Performance: 37.604 ns/day 0.638 hours/ns 2.176 steps/s 2024-05-19 22:35:15,680 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 406800 81360 69.145 -28662 7578.3 -36240 -36240 5.0747 -10.569 1.0901 7.7149e+05 2024-05-19 22:35:50,337 INFO [main.py:798]
{rank 0/64} MD step = 406900 step time: 00:00:00.330315 Performance: 37.604 ns/day 0.638 hours/ns 2.176 steps/s 2024-05-19 22:35:56,327 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 406900 81380 69.609 -28722 7629.2 -36351 -36351 5.0721 -10.569 1.0897 7.7168e+05 2024-05-19 22:36:31,914 INFO [main.py:798]
{rank 0/64} MD step = 407000 step time: 00:00:00.326668 Performance: 37.605 ns/day 0.638 hours/ns 2.176 steps/s 2024-05-19 22:36:37,761 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 407000 81400 70.885 -28539 7769.1 -36308 -36308 5.0706 -10.571 1.0901 7.7186e+05 2024-05-19 22:37:12,754 INFO [main.py:798]
{rank 0/64} MD step = 407100 step time: 00:00:00.330341 Performance: 37.606 ns/day 0.638 hours/ns 2.176 steps/s 2024-05-19 22:37:21,520 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 407100 81420 69.569 -28640 7624.8 -36265 -36265 5.0675 -10.574 1.0898 7.7204e+05 2024-05-19 22:37:55,231 INFO [main.py:798]
{rank 0/64} MD step = 407200 step time: 00:00:00.327330 Performance: 37.607 ns/day 0.638 hours/ns 2.176 steps/s 2024-05-19 22:38:02,644 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 407200 81440 71.452 -28403 7831.2 -36234 -36234 5.063 -10.575 1.0906 7.7223e+05 2024-05-19 22:38:36,795 INFO [main.py:798]
{rank 0/64} MD step = 407300 step time: 00:00:00.338424 Performance: 37.608 ns/day 0.638 hours/ns 2.176 steps/s 2024-05-19 22:38:43,298 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 407300 81460 70.494 -28622 7726.3 -36348 -36348 5.0598 -10.576 1.0901 7.724e+05 2024-05-19 22:39:17,701 INFO [main.py:798]
{rank 0/64} MD step = 407400 step time: 00:00:00.327034 Performance: 37.609 ns/day 0.638 hours/ns 2.176 steps/s 2024-05-19 22:39:24,190 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 407400 81480 71.301 -28389 7814.7 -36204 -36204 5.0573 -10.577 1.088 7.7259e+05 2024-05-19 22:39:58,110 INFO [main.py:798]
{rank 0/64} MD step = 407500 step time: 00:00:00.328398 Performance: 37.610 ns/day 0.638 hours/ns 2.177 steps/s 2024-05-19 22:40:03,504 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 407500 81500 69.657 -28620 7634.5 -36255 -36255 5.0559 -10.579 1.0866 7.7277e+05 2024-05-19 22:40:38,433 INFO [main.py:798]
{rank 0/64} MD step = 407600 step time: 00:00:00.326523 Performance: 37.611 ns/day 0.638 hours/ns 2.177 steps/s 2024-05-19 22:40:44,279 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 407600 81520 69.437 -28733 7610.4 -36344 -36344 5.0524 -10.58 1.0867 7.7298e+05 2024-05-19 22:41:20,368 INFO [main.py:798]
{rank 0/64} MD step = 407700 step time: 00:00:00.329597 Performance: 37.612 ns/day 0.638 hours/ns 2.177 steps/s 2024-05-19 22:41:27,901 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 407700 81540 69.588 -28766 7626.9 -36393 -36393 5.0491 -10.581 1.0862 7.7314e+05 2024-05-19 22:42:00,987 INFO [main.py:798]
{rank 0/64} MD step = 407800 step time: 00:00:00.342872 Performance: 37.613 ns/day 0.638 hours/ns 2.177 steps/s 2024-05-19 22:42:07,066 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 407800 81560 68.981 -28833 7560.4 -36394 -36394 5.0457 -10.581 1.0859 7.7331e+05 2024-05-19 22:42:41,465 INFO [main.py:798]
{rank 0/64} MD step = 407900 step time: 00:00:00.352100 Performance: 37.614 ns/day 0.638 hours/ns 2.177 steps/s 2024-05-19 22:42:47,371 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 407900 81580 70.431 -28763 7719.3 -36482 -36482 5.0416 -10.582 1.0865 7.735e+05 2024-05-19 22:43:21,954 INFO [main.py:798]
{rank 0/64} MD step = 408000 step time: 00:00:00.358595 Performance: 37.615 ns/day 0.638 hours/ns 2.177 steps/s 2024-05-19 22:43:28,785 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 408000 81600 69.88 -28533 7658.9 -36192 -36192 5.0382 -10.581 1.0868 7.737e+05 2024-05-19 22:44:03,006 INFO [main.py:798]
{rank 0/64} MD step = 408100 step time: 00:00:00.352518 Performance: 37.616 ns/day 0.638 hours/ns 2.177 steps/s 2024-05-19 22:44:10,900 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 408100 81620 69.497 -28726 7616.9 -36343 -36343 5.0343 -10.581 1.0862 7.7388e+05 2024-05-19 22:44:44,970 INFO [main.py:798]
{rank 0/64} MD step = 408200 step time: 00:00:00.358298 Performance: 37.617 ns/day 0.638 hours/ns 2.177 steps/s 2024-05-19 22:44:52,743 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 408200 81640 70.031 -28457 7675.5 -36133 -36133 5.0317 -10.583 1.0861 7.741e+05 2024-05-19 22:45:27,321 INFO [main.py:798]
{rank 0/64} MD step = 408300 step time: 00:00:00.361371 Performance: 37.618 ns/day 0.638 hours/ns 2.177 steps/s 2024-05-19 22:45:34,084 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 408300 81660 70.06 -28617 7678.6 -36295 -36295 5.0294 -10.584 1.0865 7.7424e+05 2024-05-19 22:46:08,806 INFO [main.py:798]
{rank 0/64} MD step = 408400 step time: 00:00:00.371177 Performance: 37.619 ns/day 0.638 hours/ns 2.177 steps/s 2024-05-19 22:46:15,208 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 408400 81680 69.752 -28679 7644.9 -36324 -36324 5.0261 -10.583 1.0859 7.7442e+05 2024-05-19 22:46:49,620 INFO [main.py:798]
{rank 0/64} MD step = 408500 step time: 00:00:00.348442 Performance: 37.620 ns/day 0.638 hours/ns 2.177 steps/s 2024-05-19 22:47:05,160 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 408500 81700 69.131 -28663 7576.8 -36240 -36240 5.024 -10.585 1.0852 7.7461e+05 2024-05-19 22:47:40,557 INFO [main.py:798]
{rank 0/64} MD step = 408600 step time: 00:00:00.350729 Performance: 37.619 ns/day 0.638 hours/ns 2.177 steps/s 2024-05-19 22:47:46,294 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 408600 81720 70.384 -28300 7714.2 -36014 -36014 5.0205 -10.587 1.0848 7.7481e+05 2024-05-19 22:48:21,953 INFO [main.py:798]
{rank 0/64} MD step = 408700 step time: 00:00:00.358276 Performance: 37.620 ns/day 0.638 hours/ns 2.177 steps/s 2024-05-19 22:48:29,109 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 408700 81740 70.013 -28335 7673.6 -36008 -36008 5.0179 -10.588 1.0841 7.7497e+05 2024-05-19 22:49:05,713 INFO [main.py:798]
{rank 0/64} MD step = 408800 step time: 00:00:00.354143 Performance: 37.620 ns/day 0.638 hours/ns 2.177 steps/s 2024-05-19 22:49:16,733 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 408800 81760 69.421 -28494 7608.6 -36102 -36102 5.014 -10.589 1.0834 7.7514e+05 2024-05-19 22:49:50,967 INFO [main.py:798]
{rank 0/64} MD step = 408900 step time: 00:00:00.344556 Performance: 37.620 ns/day 0.638 hours/ns 2.177 steps/s 2024-05-19 22:49:57,902 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 408900 81780 69.528 -28501 7620.3 -36122 -36122 5.0121 -10.589 1.0842 7.7532e+05 2024-05-19 22:50:33,160 INFO [main.py:798]
{rank 0/64} MD step = 409000 step time: 00:00:00.368297 Performance: 37.621 ns/day 0.638 hours/ns 2.177 steps/s 2024-05-19 22:50:38,704 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 409000 81800 70.128 -28449 7686.1 -36135 -36135 5.0113 -10.589 1.0853 7.7551e+05 2024-05-19 22:51:14,289 INFO [main.py:798]
{rank 0/64} MD step = 409100 step time: 00:00:00.373057 Performance: 37.622 ns/day 0.638 hours/ns 2.177 steps/s 2024-05-19 22:51:20,147 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 409100 81820 70.069 -28397 7679.6 -36077 -36077 5.0105 -10.59 1.0847 7.757e+05 2024-05-19 22:51:56,445 INFO [main.py:798]
{rank 0/64} MD step = 409200 step time: 00:00:00.345506 Performance: 37.623 ns/day 0.638 hours/ns 2.177 steps/s 2024-05-19 22:52:03,123 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 409200 81840 70.22 -28220 7696.3 -35917 -35917 5.0078 -10.591 1.0849 7.7589e+05 2024-05-19 22:52:37,536 INFO [main.py:798]
{rank 0/64} MD step = 409300 step time: 00:00:00.344960 Performance: 37.624 ns/day 0.638 hours/ns 2.177 steps/s 2024-05-19 22:52:48,829 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 409300 81860 69.361 -28408 7602.1 -36010 -36010 5.0053 -10.59 1.084 7.7607e+05 2024-05-19 22:53:23,397 INFO [main.py:798]
{rank 0/64} MD step = 409400 step time: 00:00:00.348138 Performance: 37.624 ns/day 0.638 hours/ns 2.177 steps/s 2024-05-19 22:53:30,113 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 409400 81880 69.931 -28305 7664.5 -35969 -35969 5.0016 -10.591 1.0845 7.7627e+05 2024-05-19 22:54:05,369 INFO [main.py:798]
{rank 0/64} MD step = 409500 step time: 00:00:00.352053 Performance: 37.624 ns/day 0.638 hours/ns 2.177 steps/s 2024-05-19 22:54:11,761 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 409500 81900 69.956 -28325 7667.2 -35993 -35993 4.9992 -10.59 1.0845 7.7643e+05 2024-05-19 22:54:46,210 INFO [main.py:798]
{rank 0/64} MD step = 409600 step time: 00:00:00.337767 Performance: 37.625 ns/day 0.638 hours/ns 2.177 steps/s 2024-05-19 22:54:51,302 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 409600 81920 69.908 -28384 7662.1 -36046 -36046 4.9968 -10.591 1.0854 7.766e+05 2024-05-19 22:55:26,336 INFO [main.py:798]
{rank 0/64} MD step = 409700 step time: 00:00:00.375024 Performance: 37.627 ns/day 0.638 hours/ns 2.177 steps/s 2024-05-19 22:55:32,226 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 409700 81940 70.376 -28240 7713.3 -35954 -35954 4.9956 -10.592 1.0854 7.7683e+05 2024-05-19 22:56:06,821 INFO [main.py:798]
{rank 0/64} MD step = 409800 step time: 00:00:00.373629 Performance: 37.628 ns/day 0.638 hours/ns 2.178 steps/s 2024-05-19 22:56:13,307 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 409800 81960 70.3 -28409 7704.9 -36114 -36114 4.993 -10.59 1.085 7.77e+05 2024-05-19 22:56:46,877 INFO [main.py:798]
{rank 0/64} MD step = 409900 step time: 00:00:00.348972 Performance: 37.629 ns/day 0.638 hours/ns 2.178 steps/s 2024-05-19 22:56:52,766 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 409900 81980 69.65 -28527 7633.7 -36160 -36160 4.9922 -10.59 1.083 7.772e+05 2024-05-19 22:57:28,572 INFO [main.py:798]
{rank 0/64} MD step = 410000 step time: 00:00:00.371877 Performance: 37.630 ns/day 0.638 hours/ns 2.178 steps/s 2024-05-19 22:57:34,671 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410000 82000 70.434 -28375 7719.6 -36095 -36095 4.9899 -10.589 1.0839 7.774e+05 2024-05-19 22:58:08,956 INFO [main.py:798]
{rank 0/64} MD step = 410100 step time: 00:00:00.355255 Performance: 37.631 ns/day 0.638 hours/ns 2.178 steps/s 2024-05-19 22:58:13,155 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410100 82020 70.182 -28345 7692.1 -36037 -36037 4.9882 -10.59 1.0826 7.7758e+05 2024-05-19 22:58:49,543 INFO [main.py:798]
{rank 0/64} MD step = 410200 step time: 00:00:00.352727 Performance: 37.632 ns/day 0.638 hours/ns 2.178 steps/s 2024-05-19 22:59:01,475 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410200 82040 68.984 -28512 7560.7 -36073 -36073 4.9855 -10.59 1.0824 7.7772e+05 2024-05-19 22:59:36,390 INFO [main.py:798]
{rank 0/64} MD step = 410300 step time: 00:00:00.360159 Performance: 37.632 ns/day 0.638 hours/ns 2.178 steps/s 2024-05-19 22:59:41,505 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410300 82060 69.768 -28507 7646.6 -36153 -36153 4.9816 -10.59 1.0817 7.7793e+05 2024-05-19 23:00:16,237 INFO [main.py:798]
{rank 0/64} MD step = 410400 step time: 00:00:00.347002 Performance: 37.633 ns/day 0.638 hours/ns 2.178 steps/s 2024-05-19 23:00:23,835 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410400 82080 70.283 -28373 7703.1 -36076 -36076 4.9798 -10.591 1.0816 7.7813e+05 2024-05-19 23:00:57,635 INFO [main.py:798]
{rank 0/64} MD step = 410500 step time: 00:00:00.338306 Performance: 37.634 ns/day 0.638 hours/ns 2.178 steps/s 2024-05-19 23:01:04,024 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410500 82100 69.241 -28595 7588.9 -36184 -36184 4.9786 -10.59 1.0821 7.7835e+05 2024-05-19 23:01:38,346 INFO [main.py:798]
{rank 0/64} MD step = 410600 step time: 00:00:00.335055 Performance: 37.635 ns/day 0.638 hours/ns 2.178 steps/s 2024-05-19 23:01:45,266 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410600 82120 69.82 -28443 7652.3 -36095 -36095 4.977 -10.592 1.0815 7.7854e+05 2024-05-19 23:02:19,609 INFO [main.py:798]
{rank 0/64} MD step = 410700 step time: 00:00:00.337323 Performance: 37.636 ns/day 0.638 hours/ns 2.178 steps/s 2024-05-19 23:02:32,136 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410700 82140 70.97 -28290 7778.4 -36069 -36069 4.976 -10.594 1.0808 7.7871e+05 2024-05-19 23:03:06,423 INFO [main.py:798]
{rank 0/64} MD step = 410800 step time: 00:00:00.347856 Performance: 37.636 ns/day 0.638 hours/ns 2.178 steps/s 2024-05-19 23:03:14,353 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410800 82160 70.098 -28282 7682.8 -35965 -35965 4.9743 -10.594 1.0807 7.789e+05 2024-05-19 23:03:49,018 INFO [main.py:798]
{rank 0/64} MD step = 410900 step time: 00:00:00.357094 Performance: 37.636 ns/day 0.638 hours/ns 2.178 steps/s 2024-05-19 23:03:56,287 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410900 82180 70.255 -28279 7700 -35979 -35979 4.9709 -10.597 1.0801 7.7908e+05 2024-05-19 23:04:30,437 INFO [main.py:798]
{rank 0/64} MD step = 411000 step time: 00:00:00.349993 Performance: 37.637 ns/day 0.638 hours/ns 2.178 steps/s 2024-05-19 23:04:37,219 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 411000 82200 69.788 -28442 7648.8 -36091 -36091 4.9689 -10.598 1.0803 7.7925e+05 2024-05-19 23:05:11,850 INFO [main.py:798]
{rank 0/64} MD step = 411100 step time: 00:00:00.349062 Performance: 37.638 ns/day 0.638 hours/ns 2.178 steps/s 2024-05-19 23:05:18,466 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 411100 82220 69.929 -28374 7664.3 -36039 -36039 4.9673 -10.598 1.0791 7.7944e+05 2024-05-19 23:05:53,365 INFO [main.py:798]
{rank 0/64} MD step = 411200 step time: 00:00:00.354485 Performance: 37.639 ns/day 0.638 hours/ns 2.178 steps/s 2024-05-19 23:06:01,207 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 411200 82240 70.606 -28229 7738.5 -35968 -35968 4.9655 -10.598 1.0799 7.7961e+05 2024-05-19 23:06:35,253 INFO [main.py:798]
{rank 0/64} MD step = 411300 step time: 00:00:00.329202 Performance: 37.640 ns/day 0.638 hours/ns 2.178 steps/s 2024-05-19 23:06:40,109 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 411300 82260 70.262 -28348 7700.8 -36049 -36049 4.9656 -10.599 1.0797 7.7981e+05 2024-05-19 23:07:16,628 INFO [main.py:798]
{rank 0/64} MD step = 411400 step time: 00:00:00.327136 Performance: 37.641 ns/day 0.638 hours/ns 2.178 steps/s 2024-05-19 23:07:24,472 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 411400 82280 69.909 -28427 7662.1 -36089 -36089 4.9636 -10.598 1.0786 7.8003e+05 2024-05-19 23:07:59,142 INFO [main.py:798]
{rank 0/64} MD step = 411500 step time: 00:00:00.326705 Performance: 37.641 ns/day 0.638 hours/ns 2.178 steps/s 2024-05-19 23:08:04,979 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 411500 82300 70.136 -28505 7687 -36192 -36192 4.9607 -10.599 1.076 7.8021e+05 2024-05-19 23:08:38,954 INFO [main.py:798]
{rank 0/64} MD step = 411600 step time: 00:00:00.327396 Performance: 37.643 ns/day 0.638 hours/ns 2.178 steps/s 2024-05-19 23:08:44,635 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 411600 82320 69.226 -28330 7587.2 -35917 -35917 4.958 -10.599 1.0748 7.8044e+05 2024-05-19 23:09:19,012 INFO [main.py:798]
{rank 0/64} MD step = 411700 step time: 00:00:00.325869 Performance: 37.644 ns/day 0.638 hours/ns 2.178 steps/s 2024-05-19 23:09:25,067 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 411700 82340 69.876 -28285 7658.5 -35943 -35943 4.9571 -10.6 1.0758 7.8067e+05 2024-05-19 23:09:59,742 INFO [main.py:798]
{rank 0/64} MD step = 411800 step time: 00:00:00.328387 Performance: 37.645 ns/day 0.638 hours/ns 2.179 steps/s 2024-05-19 23:10:06,578 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 411800 82360 69 -28448 7562.5 -36010 -36010 4.9542 -10.6 1.0741 7.8083e+05 2024-05-19 23:10:41,317 INFO [main.py:798]
{rank 0/64} MD step = 411900 step time: 00:00:00.330904 Performance: 37.646 ns/day 0.638 hours/ns 2.179 steps/s 2024-05-19 23:10:48,187 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 411900 82380 70.054 -28503 7678.1 -36181 -36181 4.9526 -10.601 1.0735 7.8101e+05 2024-05-19 23:11:23,180 INFO [main.py:798]
{rank 0/64} MD step = 412000 step time: 00:00:00.327583 Performance: 37.646 ns/day 0.638 hours/ns 2.179 steps/s 2024-05-19 23:11:31,237 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 412000 82400 70.258 -28459 7700.3 -36160 -36160 4.9493 -10.602 1.0741 7.8122e+05 2024-05-19 23:12:05,188 INFO [main.py:798]
{rank 0/64} MD step = 412100 step time: 00:00:00.379287 Performance: 37.647 ns/day 0.637 hours/ns 2.179 steps/s 2024-05-19 23:12:10,830 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 412100 82420 70.75 -28334 7754.3 -36088 -36088 4.9461 -10.603 1.0733 7.8143e+05 2024-05-19 23:12:45,853 INFO [main.py:798]
{rank 0/64} MD step = 412200 step time: 00:00:00.363930 Performance: 37.648 ns/day 0.637 hours/ns 2.179 steps/s 2024-05-19 23:12:52,179 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 412200 82440 71.292 -28247 7813.7 -36061 -36061 4.9444 -10.606 1.0726 7.8157e+05 2024-05-19 23:13:26,457 INFO [main.py:798]
{rank 0/64} MD step = 412300 step time: 00:00:00.354358 Performance: 37.649 ns/day 0.637 hours/ns 2.179 steps/s 2024-05-19 23:13:31,963 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 412300 82460 70.363 -28586 7711.9 -36298 -36298 4.9429 -10.606 1.0713 7.8173e+05 2024-05-19 23:14:06,156 INFO [main.py:798]
{rank 0/64} MD step = 412400 step time: 00:00:00.332156 Performance: 37.650 ns/day 0.637 hours/ns 2.179 steps/s 2024-05-19 23:14:11,688 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 412400 82480 70.413 -28501 7717.4 -36219 -36219 4.9416 -10.606 1.0703 7.8193e+05 2024-05-19 23:14:46,044 INFO [main.py:798]
{rank 0/64} MD step = 412500 step time: 00:00:00.326685 Performance: 37.652 ns/day 0.637 hours/ns 2.179 steps/s 2024-05-19 23:14:50,922 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 412500 82500 70.602 -28407 7738.1 -36145 -36145 4.9391 -10.609 1.0698 7.8211e+05 2024-05-19 23:15:25,731 INFO [main.py:798]
{rank 0/64} MD step = 412600 step time: 00:00:00.335434 Performance: 37.653 ns/day 0.637 hours/ns 2.179 steps/s 2024-05-19 23:15:32,007 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 412600 82520 68.283 -28655 7483.9 -36139 -36139 4.9382 -10.609 1.0699 7.8228e+05 2024-05-19 23:16:06,539 INFO [main.py:798]
{rank 0/64} MD step = 412700 step time: 00:00:00.352729 Performance: 37.654 ns/day 0.637 hours/ns 2.179 steps/s 2024-05-19 23:16:11,605 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 412700 82540 69.113 -28532 7574.8 -36107 -36107 4.9372 -10.608 1.0699 7.825e+05 2024-05-19 23:16:48,256 INFO [main.py:798]
{rank 0/64} MD step = 412800 step time: 00:00:00.371247 Performance: 37.655 ns/day 0.637 hours/ns 2.179 steps/s 2024-05-19 23:16:53,747 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 412800 82560 69.702 -28457 7639.4 -36096 -36096 4.9352 -10.61 1.0678 7.8267e+05 2024-05-19 23:17:28,545 INFO [main.py:798]
{rank 0/64} MD step = 412900 step time: 00:00:00.352755 Performance: 37.656 ns/day 0.637 hours/ns 2.179 steps/s 2024-05-19 23:17:34,652 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 412900 82580 69.846 -28476 7655.3 -36131 -36131 4.933 -10.611 1.067 7.8287e+05 2024-05-19 23:18:08,655 INFO [main.py:798]
{rank 0/64} MD step = 413000 step time: 00:00:00.341414 Performance: 37.657 ns/day 0.637 hours/ns 2.179 steps/s 2024-05-19 23:18:14,685 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 413000 82600 70.278 -28405 7702.5 -36108 -36108 4.9324 -10.611 1.0676 7.8309e+05 2024-05-19 23:18:48,184 INFO [main.py:798]
{rank 0/64} MD step = 413100 step time: 00:00:00.344621 Performance: 37.658 ns/day 0.637 hours/ns 2.179 steps/s 2024-05-19 23:18:54,029 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 413100 82620 69.677 -28443 7636.7 -36079 -36079 4.9289 -10.611 1.0667 7.8331e+05 2024-05-19 23:19:30,572 INFO [main.py:798]
{rank 0/64} MD step = 413200 step time: 00:00:00.370092 Performance: 37.659 ns/day 0.637 hours/ns 2.179 steps/s 2024-05-19 23:19:38,059 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 413200 82640 70.429 -28401 7719.1 -36120 -36120 4.9257 -10.612 1.0685 7.8351e+05 2024-05-19 23:20:12,118 INFO [main.py:798]
{rank 0/64} MD step = 413300 step time: 00:00:00.345265 Performance: 37.660 ns/day 0.637 hours/ns 2.179 steps/s 2024-05-19 23:20:18,797 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 413300 82660 69.933 -28530 7664.7 -36194 -36194 4.9243 -10.613 1.0677 7.8368e+05 2024-05-19 23:20:53,219 INFO [main.py:798]
{rank 0/64} MD step = 413400 step time: 00:00:00.353035 Performance: 37.661 ns/day 0.637 hours/ns 2.179 steps/s 2024-05-19 23:21:00,060 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 413400 82680 70.621 -28383 7740.2 -36124 -36124 4.9203 -10.615 1.0666 7.8388e+05 2024-05-19 23:21:35,836 INFO [main.py:798]
{rank 0/64} MD step = 413500 step time: 00:00:00.370973 Performance: 37.661 ns/day 0.637 hours/ns 2.179 steps/s 2024-05-19 23:21:43,129 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 413500 82700 70.583 -28506 7735.9 -36242 -36242 4.918 -10.616 1.0675 7.841e+05 2024-05-19 23:22:18,272 INFO [main.py:798]
{rank 0/64} MD step = 413600 step time: 00:00:00.352270 Performance: 37.662 ns/day 0.637 hours/ns 2.180 steps/s 2024-05-19 23:22:25,692 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 413600 82720 69.166 -28502 7580.6 -36083 -36083 4.9149 -10.615 1.0659 7.8431e+05 2024-05-19 23:22:59,768 INFO [main.py:798]
{rank 0/64} MD step = 413700 step time: 00:00:00.350854 Performance: 37.663 ns/day 0.637 hours/ns 2.180 steps/s 2024-05-19 23:23:07,633 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 413700 82740 69.921 -28520 7663.4 -36184 -36184 4.912 -10.614 1.0668 7.8448e+05 2024-05-19 23:23:42,386 INFO [main.py:798]
{rank 0/64} MD step = 413800 step time: 00:00:00.351496 Performance: 37.664 ns/day 0.637 hours/ns 2.180 steps/s 2024-05-19 23:23:49,661 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 413800 82760 69.311 -28641 7596.5 -36237 -36237 4.9109 -10.615 1.066 7.8464e+05 2024-05-19 23:24:23,389 INFO [main.py:798]
{rank 0/64} MD step = 413900 step time: 00:00:00.340459 Performance: 37.665 ns/day 0.637 hours/ns 2.180 steps/s 2024-05-19 23:24:31,357 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 413900 82780 68.572 -28630 7515.6 -36146 -36146 4.9087 -10.616 1.0672 7.8485e+05 2024-05-19 23:25:06,543 INFO [main.py:798]
{rank 0/64} MD step = 414000 step time: 00:00:00.358091 Performance: 37.665 ns/day 0.637 hours/ns 2.180 steps/s 2024-05-19 23:25:13,170 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 414000 82800 69.405 -28684 7606.9 -36290 -36290 4.9064 -10.615 1.0675 7.8502e+05 2024-05-19 23:25:47,779 INFO [main.py:798]
{rank 0/64} MD step = 414100 step time: 00:00:00.345406 Performance: 37.666 ns/day 0.637 hours/ns 2.180 steps/s 2024-05-19 23:25:53,974 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 414100 82820 69.702 -28456 7639.4 -36096 -36096 4.9041 -10.616 1.0677 7.8521e+05 2024-05-19 23:26:28,433 INFO [main.py:798]
{rank 0/64} MD step = 414200 step time: 00:00:00.353831 Performance: 37.667 ns/day 0.637 hours/ns 2.180 steps/s 2024-05-19 23:26:37,410 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 414200 82840 69.598 -28546 7628 -36174 -36174 4.9012 -10.617 1.0682 7.8543e+05 2024-05-19 23:27:12,148 INFO [main.py:798]
{rank 0/64} MD step = 414300 step time: 00:00:00.355241 Performance: 37.668 ns/day 0.637 hours/ns 2.180 steps/s 2024-05-19 23:27:18,029 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 414300 82860 68.678 -28613 7527.2 -36141 -36141 4.899 -10.62 1.0682 7.8562e+05 2024-05-19 23:27:52,562 INFO [main.py:798]
{rank 0/64} MD step = 414400 step time: 00:00:00.351013 Performance: 37.669 ns/day 0.637 hours/ns 2.180 steps/s 2024-05-19 23:27:57,724 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 414400 82880 69.442 -28365 7610.9 -35976 -35976 4.8965 -10.621 1.0682 7.8585e+05 2024-05-19 23:28:33,512 INFO [main.py:798]
{rank 0/64} MD step = 414500 step time: 00:00:00.369403 Performance: 37.670 ns/day 0.637 hours/ns 2.180 steps/s 2024-05-19 23:28:37,874 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 414500 82900 70.264 -28397 7701 -36098 -36098 4.895 -10.621 1.0678 7.86e+05 2024-05-19 23:29:12,076 INFO [main.py:798]
{rank 0/64} MD step = 414600 step time: 00:00:00.326956 Performance: 37.671 ns/day 0.637 hours/ns 2.180 steps/s 2024-05-19 23:29:17,258 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 414600 82920 69.608 -28599 7629.1 -36228 -36228 4.8934 -10.62 1.0652 7.8616e+05 2024-05-19 23:29:51,666 INFO [main.py:798]
{rank 0/64} MD step = 414700 step time: 00:00:00.330313 Performance: 37.672 ns/day 0.637 hours/ns 2.180 steps/s 2024-05-19 23:29:57,593 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 414700 82940 70.1 -28647 7683.1 -36330 -36330 4.8907 -10.622 1.0642 7.8634e+05 2024-05-19 23:30:32,144 INFO [main.py:798]
{rank 0/64} MD step = 414800 step time: 00:00:00.360978 Performance: 37.673 ns/day 0.637 hours/ns 2.180 steps/s 2024-05-19 23:30:40,135 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 414800 82960 70.476 -28452 7724.2 -36176 -36176 4.8892 -10.624 1.0644 7.8659e+05 2024-05-19 23:31:14,219 INFO [main.py:798]
{rank 0/64} MD step = 414900 step time: 00:00:00.332211 Performance: 37.674 ns/day 0.637 hours/ns 2.180 steps/s 2024-05-19 23:31:22,612 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 414900 82980 69.537 -28484 7621.3 -36106 -36106 4.8859 -10.623 1.0644 7.8676e+05 2024-05-19 23:31:57,483 INFO [main.py:798]
{rank 0/64} MD step = 415000 step time: 00:00:00.333229 Performance: 37.675 ns/day 0.637 hours/ns 2.180 steps/s 2024-05-19 23:32:03,621 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 415000 83000 70.512 -28393 7728.2 -36121 -36121 4.8832 -10.623 1.0645 7.8694e+05 2024-05-19 23:32:37,341 INFO [main.py:798]
{rank 0/64} MD step = 415100 step time: 00:00:00.329107 Performance: 37.676 ns/day 0.637 hours/ns 2.180 steps/s 2024-05-19 23:32:43,884 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 415100 83020 69.326 -28541 7598.3 -36140 -36140 4.8814 -10.624 1.0642 7.8707e+05 2024-05-19 23:33:18,481 INFO [main.py:798]
{rank 0/64} MD step = 415200 step time: 00:00:00.327793 Performance: 37.677 ns/day 0.637 hours/ns 2.180 steps/s 2024-05-19 23:33:24,400 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 415200 83040 69.817 -28442 7652 -36094 -36094 4.8773 -10.625 1.0635 7.873e+05 2024-05-19 23:33:58,984 INFO [main.py:798]
{rank 0/64} MD step = 415300 step time: 00:00:00.326401 Performance: 37.678 ns/day 0.637 hours/ns 2.180 steps/s 2024-05-19 23:34:05,123 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 415300 83060 70.006 -28265 7672.8 -35937 -35937 4.8738 -10.626 1.0629 7.8748e+05 2024-05-19 23:34:41,885 INFO [main.py:798]
{rank 0/64} MD step = 415400 step time: 00:00:00.340827 Performance: 37.678 ns/day 0.637 hours/ns 2.180 steps/s 2024-05-19 23:34:47,295 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 415400 83080 70.775 -28368 7757.1 -36126 -36126 4.8722 -10.626 1.0626 7.8767e+05 2024-05-19 23:35:21,847 INFO [main.py:798]
{rank 0/64} MD step = 415500 step time: 00:00:00.330136 Performance: 37.680 ns/day 0.637 hours/ns 2.181 steps/s 2024-05-19 23:35:28,500 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 415500 83100 70.092 -28584 7682.2 -36266 -36266 4.8703 -10.627 1.063 7.8782e+05 2024-05-19 23:36:02,769 INFO [main.py:798]
{rank 0/64} MD step = 415600 step time: 00:00:00.351054 Performance: 37.681 ns/day 0.637 hours/ns 2.181 steps/s 2024-05-19 23:36:10,524 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 415600 83120 69.181 -28469 7582.3 -36051 -36051 4.868 -10.628 1.0624 7.8803e+05 2024-05-19 23:36:45,098 INFO [main.py:798]
{rank 0/64} MD step = 415700 step time: 00:00:00.342258 Performance: 37.681 ns/day 0.637 hours/ns 2.181 steps/s 2024-05-19 23:36:51,287 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 415700 83140 70.554 -28331 7732.8 -36064 -36064 4.8653 -10.629 1.0631 7.8823e+05 2024-05-19 23:37:25,189 INFO [main.py:798]
{rank 0/64} MD step = 415800 step time: 00:00:00.328272 Performance: 37.682 ns/day 0.637 hours/ns 2.181 steps/s 2024-05-19 23:37:31,519 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 415800 83160 70.988 -28367 7780.4 -36148 -36148 4.8618 -10.631 1.0631 7.8842e+05 2024-05-19 23:38:06,094 INFO [main.py:798]
{rank 0/64} MD step = 415900 step time: 00:00:00.335252 Performance: 37.683 ns/day 0.637 hours/ns 2.181 steps/s 2024-05-19 23:38:14,333 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 415900 83180 71.973 -28186 7888.4 -36074 -36074 4.8599 -10.633 1.0621 7.8859e+05 2024-05-19 23:38:48,907 INFO [main.py:798]
{rank 0/64} MD step = 416000 step time: 00:00:00.334382 Performance: 37.684 ns/day 0.637 hours/ns 2.181 steps/s 2024-05-19 23:38:57,933 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416000 83200 69.971 -28467 7668.9 -36136 -36136 4.8579 -10.634 1.062 7.8876e+05 2024-05-19 23:39:32,600 INFO [main.py:798]
{rank 0/64} MD step = 416100 step time: 00:00:00.327797 Performance: 37.684 ns/day 0.637 hours/ns 2.181 steps/s 2024-05-19 23:39:39,284 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416100 83220 70.562 -28479 7733.7 -36213 -36213 4.8552 -10.636 1.0613 7.8895e+05 2024-05-19 23:40:13,524 INFO [main.py:798]
{rank 0/64} MD step = 416200 step time: 00:00:00.326471 Performance: 37.685 ns/day 0.637 hours/ns 2.181 steps/s 2024-05-19 23:40:20,670 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416200 83240 69.442 -28497 7610.9 -36108 -36108 4.8513 -10.637 1.0612 7.8916e+05 2024-05-19 23:40:55,554 INFO [main.py:798]
{rank 0/64} MD step = 416300 step time: 00:00:00.331596 Performance: 37.686 ns/day 0.637 hours/ns 2.181 steps/s 2024-05-19 23:41:02,372 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416300 83260 69.95 -28473 7666.6 -36140 -36140 4.8483 -10.638 1.0608 7.8934e+05 2024-05-19 23:41:36,738 INFO [main.py:798]
{rank 0/64} MD step = 416400 step time: 00:00:00.326761 Performance: 37.687 ns/day 0.637 hours/ns 2.181 steps/s 2024-05-19 23:41:42,515 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416400 83280 70.61 -28509 7739 -36248 -36248 4.8455 -10.638 1.0607 7.8948e+05 2024-05-19 23:42:18,950 INFO [main.py:798]
{rank 0/64} MD step = 416500 step time: 00:00:00.343661 Performance: 37.688 ns/day 0.637 hours/ns 2.181 steps/s 2024-05-19 23:42:27,206 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416500 83300 70.636 -28470 7741.8 -36212 -36212 4.841 -10.639 1.0612 7.8968e+05 2024-05-19 23:43:01,812 INFO [main.py:798]
{rank 0/64} MD step = 416600 step time: 00:00:00.347657 Performance: 37.688 ns/day 0.637 hours/ns 2.181 steps/s 2024-05-19 23:43:08,683 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416600 83320 70.233 -28475 7697.7 -36173 -36173 4.8393 -10.639 1.0603 7.8989e+05 2024-05-19 23:43:42,465 INFO [main.py:798]
{rank 0/64} MD step = 416700 step time: 00:00:00.346261 Performance: 37.689 ns/day 0.637 hours/ns 2.181 steps/s 2024-05-19 23:43:48,128 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416700 83340 68.729 -28593 7532.8 -36126 -36126 4.8372 -10.641 1.0607 7.9008e+05 2024-05-19 23:44:22,316 INFO [main.py:798]
{rank 0/64} MD step = 416800 step time: 00:00:00.352523 Performance: 37.691 ns/day 0.637 hours/ns 2.181 steps/s 2024-05-19 23:44:30,262 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416800 83360 69.823 -28616 7652.7 -36269 -36269 4.8339 -10.642 1.0603 7.9025e+05 2024-05-19 23:45:06,100 INFO [main.py:798]
{rank 0/64} MD step = 416900 step time: 00:00:00.347472 Performance: 37.691 ns/day 0.637 hours/ns 2.181 steps/s 2024-05-19 23:45:14,992 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416900 83380 70.712 -28497 7750.2 -36247 -36247 4.8305 -10.644 1.0599 7.9044e+05 2024-05-19 23:45:50,135 INFO [main.py:798]
{rank 0/64} MD step = 417000 step time: 00:00:00.354456 Performance: 37.691 ns/day 0.637 hours/ns 2.181 steps/s 2024-05-19 23:45:57,465 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 417000 83400 70.218 -28482 7696 -36178 -36178 4.8285 -10.644 1.0605 7.9061e+05 2024-05-19 23:46:31,444 INFO [main.py:798]
{rank 0/64} MD step = 417100 step time: 00:00:00.350662 Performance: 37.692 ns/day 0.637 hours/ns 2.181 steps/s 2024-05-19 23:46:40,855 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 417100 83420 70.696 -28421 7748.4 -36170 -36170 4.8258 -10.645 1.0611 7.9079e+05 2024-05-19 23:47:15,064 INFO [main.py:798]
{rank 0/64} MD step = 417200 step time: 00:00:00.339312 Performance: 37.693 ns/day 0.637 hours/ns 2.181 steps/s 2024-05-19 23:47:22,946 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 417200 83440 70.679 -28409 7746.5 -36155 -36155 4.8234 -10.646 1.0622 7.9098e+05 2024-05-19 23:47:57,381 INFO [main.py:798]
{rank 0/64} MD step = 417300 step time: 00:00:00.325948 Performance: 37.693 ns/day 0.637 hours/ns 2.181 steps/s 2024-05-19 23:48:04,480 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 417300 83460 70.842 -28200 7764.3 -35964 -35964 4.8228 -10.647 1.0601 7.9122e+05 2024-05-19 23:48:38,658 INFO [main.py:798]
{rank 0/64} MD step = 417400 step time: 00:00:00.327124 Performance: 37.694 ns/day 0.637 hours/ns 2.181 steps/s 2024-05-19 23:48:44,944 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 417400 83480 70.203 -28489 7694.3 -36184 -36184 4.8212 -10.648 1.0584 7.9137e+05 2024-05-19 23:49:19,075 INFO [main.py:798]
{rank 0/64} MD step = 417500 step time: 00:00:00.326474 Performance: 37.695 ns/day 0.637 hours/ns 2.181 steps/s 2024-05-19 23:49:27,494 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 417500 83500 70.29 -28515 7703.9 -36219 -36219 4.817 -10.648 1.0577 7.9154e+05 2024-05-19 23:50:01,906 INFO [main.py:798]
{rank 0/64} MD step = 417600 step time: 00:00:00.326475 Performance: 37.696 ns/day 0.637 hours/ns 2.181 steps/s 2024-05-19 23:50:07,916 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 417600 83520 69.69 -28696 7638.1 -36334 -36334 4.8154 -10.649 1.0576 7.9172e+05 2024-05-19 23:50:42,646 INFO [main.py:798]
{rank 0/64} MD step = 417700 step time: 00:00:00.327514 Performance: 37.697 ns/day 0.637 hours/ns 2.182 steps/s 2024-05-19 23:50:50,736 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 417700 83540 69.243 -28605 7589.1 -36195 -36195 4.8129 -10.65 1.0562 7.9192e+05 2024-05-19 23:51:25,224 INFO [main.py:798]
{rank 0/64} MD step = 417800 step time: 00:00:00.347012 Performance: 37.698 ns/day 0.637 hours/ns 2.182 steps/s 2024-05-19 23:51:32,042 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 417800 83560 70.381 -28323 7713.8 -36037 -36037 4.8099 -10.65 1.0551 7.9214e+05 2024-05-19 23:52:06,605 INFO [main.py:798]
{rank 0/64} MD step = 417900 step time: 00:00:00.339460 Performance: 37.698 ns/day 0.637 hours/ns 2.182 steps/s 2024-05-19 23:52:15,038 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 417900 83580 69.471 -28457 7614.1 -36071 -36071 4.8077 -10.652 1.0557 7.9232e+05 2024-05-19 23:52:50,006 INFO [main.py:798]
{rank 0/64} MD step = 418000 step time: 00:00:00.347812 Performance: 37.699 ns/day 0.637 hours/ns 2.182 steps/s 2024-05-19 23:52:55,328 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 418000 83600 69.563 -28490 7624.2 -36115 -36115 4.8051 -10.653 1.0549 7.9253e+05 2024-05-19 23:53:29,447 INFO [main.py:798]
{rank 0/64} MD step = 418100 step time: 00:00:00.346396 Performance: 37.700 ns/day 0.637 hours/ns 2.182 steps/s 2024-05-19 23:53:35,961 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 418100 83620 69.025 -28657 7565.3 -36223 -36223 4.8033 -10.654 1.0551 7.9269e+05 2024-05-19 23:54:10,493 INFO [main.py:798]
{rank 0/64} MD step = 418200 step time: 00:00:00.345215 Performance: 37.701 ns/day 0.637 hours/ns 2.182 steps/s 2024-05-19 23:54:16,458 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 418200 83640 71.361 -28413 7821.2 -36234 -36234 4.8007 -10.654 1.0563 7.9288e+05 2024-05-19 23:54:50,145 INFO [main.py:798]
{rank 0/64} MD step = 418300 step time: 00:00:00.345459 Performance: 37.702 ns/day 0.637 hours/ns 2.182 steps/s 2024-05-19 23:54:56,320 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 418300 83660 70.186 -28701 7692.5 -36394 -36394 4.7969 -10.654 1.0557 7.9306e+05 2024-05-19 23:55:31,032 INFO [main.py:798]
{rank 0/64} MD step = 418400 step time: 00:00:00.352920 Performance: 37.703 ns/day 0.637 hours/ns 2.182 steps/s 2024-05-19 23:55:40,998 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 418400 83680 70.038 -28394 7676.3 -36071 -36071 4.7943 -10.656 1.055 7.933e+05 2024-05-19 23:56:15,215 INFO [main.py:798]
{rank 0/64} MD step = 418500 step time: 00:00:00.346317 Performance: 37.704 ns/day 0.637 hours/ns 2.182 steps/s 2024-05-19 23:56:21,571 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 418500 83700 70.293 -28628 7704.2 -36332 -36332 4.7904 -10.657 1.0543 7.9348e+05 2024-05-19 23:56:55,452 INFO [main.py:798]
{rank 0/64} MD step = 418600 step time: 00:00:00.347749 Performance: 37.705 ns/day 0.637 hours/ns 2.182 steps/s 2024-05-19 23:57:01,362 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 418600 83720 70.15 -28535 7688.5 -36224 -36224 4.7899 -10.657 1.0531 7.9368e+05 2024-05-19 23:57:35,713 INFO [main.py:798]
{rank 0/64} MD step = 418700 step time: 00:00:00.346980 Performance: 37.706 ns/day 0.637 hours/ns 2.182 steps/s 2024-05-19 23:57:41,341 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 418700 83740 69.202 -28596 7584.7 -36180 -36180 4.7865 -10.658 1.0525 7.9389e+05 2024-05-19 23:58:15,915 INFO [main.py:798]
{rank 0/64} MD step = 418800 step time: 00:00:00.326508 Performance: 37.707 ns/day 0.636 hours/ns 2.182 steps/s 2024-05-19 23:58:21,671 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 418800 83760 69.973 -28609 7669.1 -36278 -36278 4.7848 -10.66 1.0525 7.9403e+05 2024-05-19 23:58:55,831 INFO [main.py:798]
{rank 0/64} MD step = 418900 step time: 00:00:00.336061 Performance: 37.708 ns/day 0.636 hours/ns 2.182 steps/s 2024-05-19 23:59:02,796 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 418900 83780 69.52 -28509 7619.5 -36128 -36128 4.7835 -10.661 1.051 7.9425e+05 2024-05-19 23:59:36,165 INFO [main.py:798]
{rank 0/64} MD step = 419000 step time: 00:00:00.334314 Performance: 37.709 ns/day 0.636 hours/ns 2.182 steps/s 2024-05-19 23:59:46,467 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 419000 83800 70.216 -28475 7695.7 -36171 -36171 4.7802 -10.664 1.0497 7.9444e+05 2024-05-20 00:00:20,719 INFO [main.py:798]
{rank 0/64} MD step = 419100 step time: 00:00:00.344306 Performance: 37.709 ns/day 0.636 hours/ns 2.182 steps/s 2024-05-20 00:00:27,505 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 419100 83820 69.897 -28530 7660.8 -36191 -36191 4.7782 -10.665 1.0507 7.9461e+05 2024-05-20 00:01:01,672 INFO [main.py:798]
{rank 0/64} MD step = 419200 step time: 00:00:00.349723 Performance: 37.710 ns/day 0.636 hours/ns 2.182 steps/s 2024-05-20 00:01:07,742 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 419200 83840 70.38 -28540 7713.7 -36253 -36253 4.7772 -10.666 1.0513 7.948e+05 2024-05-20 00:01:41,078 INFO [main.py:798]
{rank 0/64} MD step = 419300 step time: 00:00:00.331367 Performance: 37.712 ns/day 0.636 hours/ns 2.182 steps/s 2024-05-20 00:01:46,560 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 419300 83860 70.358 -28554 7711.3 -36265 -36265 4.7753 -10.666 1.0487 7.95e+05 2024-05-20 00:02:20,655 INFO [main.py:798]
{rank 0/64} MD step = 419400 step time: 00:00:00.341456 Performance: 37.713 ns/day 0.636 hours/ns 2.182 steps/s 2024-05-20 00:02:25,468 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 419400 83880 69.937 -28575 7665.2 -36240 -36240 4.7723 -10.668 1.0481 7.9519e+05 2024-05-20 00:02:59,334 INFO [main.py:798]
{rank 0/64} MD step = 419500 step time: 00:00:00.330256 Performance: 37.714 ns/day 0.636 hours/ns 2.183 steps/s 2024-05-20 00:03:05,326 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 419500 83900 70.222 -28583 7696.4 -36280 -36280 4.7702 -10.669 1.0487 7.9538e+05 2024-05-20 00:03:40,361 INFO [main.py:798]
{rank 0/64} MD step = 419600 step time: 00:00:00.330315 Performance: 37.715 ns/day 0.636 hours/ns 2.183 steps/s 2024-05-20 00:03:45,620 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 419600 83920 69.844 -28495 7655 -36150 -36150 4.767 -10.668 1.0479 7.956e+05 2024-05-20 00:04:21,376 INFO [main.py:798]
{rank 0/64} MD step = 419700 step time: 00:00:00.327345 Performance: 37.716 ns/day 0.636 hours/ns 2.183 steps/s 2024-05-20 00:04:26,863 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 419700 83940 69.852 -28605 7655.8 -36261 -36261 4.7644 -10.669 1.0466 7.9577e+05 2024-05-20 00:05:01,635 INFO [main.py:798]
{rank 0/64} MD step = 419800 step time: 00:00:00.330422 Performance: 37.717 ns/day 0.636 hours/ns 2.183 steps/s 2024-05-20 00:05:08,502 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 419800 83960 69.558 -28625 7623.7 -36249 -36249 4.7614 -10.67 1.0474 7.9594e+05 2024-05-20 00:05:42,770 INFO [main.py:798]
{rank 0/64} MD step = 419900 step time: 00:00:00.325327 Performance: 37.718 ns/day 0.636 hours/ns 2.183 steps/s 2024-05-20 00:05:48,786 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 419900 83980 69.367 -28628 7602.7 -36231 -36231 4.7584 -10.672 1.0472 7.9615e+05 2024-05-20 00:06:22,730 INFO [main.py:798]
{rank 0/64} MD step = 420000 step time: 00:00:00.327712 Performance: 37.719 ns/day 0.636 hours/ns 2.183 steps/s 2024-05-20 00:06:28,908 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420000 84000 69.65 -28396 7633.7 -36029 -36029 4.7552 -10.674 1.0479 7.9638e+05 2024-05-20 00:07:03,135 INFO [main.py:798]
{rank 0/64} MD step = 420100 step time: 00:00:00.326991 Performance: 37.720 ns/day 0.636 hours/ns 2.183 steps/s 2024-05-20 00:07:09,293 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420100 84020 70.367 -28546 7712.3 -36259 -36259 4.7539 -10.677 1.0451 7.9654e+05 2024-05-20 00:07:43,039 INFO [main.py:798]
{rank 0/64} MD step = 420200 step time: 00:00:00.331552 Performance: 37.721 ns/day 0.636 hours/ns 2.183 steps/s 2024-05-20 00:07:48,795 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420200 84040 69.414 -28633 7607.8 -36241 -36241 4.7506 -10.678 1.0463 7.967e+05 2024-05-20 00:08:22,542 INFO [main.py:798]
{rank 0/64} MD step = 420300 step time: 00:00:00.326229 Performance: 37.723 ns/day 0.636 hours/ns 2.183 steps/s 2024-05-20 00:08:28,098 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420300 84060 68.821 -28627 7542.8 -36170 -36170 4.7496 -10.68 1.0459 7.9688e+05 2024-05-20 00:09:02,413 INFO [main.py:798]
{rank 0/64} MD step = 420400 step time: 00:00:00.331142 Performance: 37.724 ns/day 0.636 hours/ns 2.183 steps/s 2024-05-20 00:09:07,970 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420400 84080 70.84 -28328 7764.1 -36093 -36093 4.748 -10.682 1.0458 7.9706e+05 2024-05-20 00:09:42,771 INFO [main.py:798]
{rank 0/64} MD step = 420500 step time: 00:00:00.328551 Performance: 37.725 ns/day 0.636 hours/ns 2.183 steps/s 2024-05-20 00:09:50,827 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420500 84100 69.077 -28492 7571 -36063 -36063 4.7462 -10.684 1.0443 7.9728e+05 2024-05-20 00:10:25,296 INFO [main.py:798]
{rank 0/64} MD step = 420600 step time: 00:00:00.332972 Performance: 37.726 ns/day 0.636 hours/ns 2.183 steps/s 2024-05-20 00:10:31,061 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420600 84120 70.983 -28300 7779.9 -36080 -36080 4.7444 -10.686 1.0454 7.9748e+05 2024-05-20 00:11:05,363 INFO [main.py:798]
{rank 0/64} MD step = 420700 step time: 00:00:00.330183 Performance: 37.727 ns/day 0.636 hours/ns 2.183 steps/s 2024-05-20 00:11:12,267 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420700 84140 69.388 -28494 7605 -36099 -36099 4.7413 -10.689 1.045 7.9767e+05 2024-05-20 00:11:46,649 INFO [main.py:798]
{rank 0/64} MD step = 420800 step time: 00:00:00.350266 Performance: 37.728 ns/day 0.636 hours/ns 2.183 steps/s 2024-05-20 00:11:53,072 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420800 84160 71.3 -28269 7814.6 -36084 -36084 4.739 -10.689 1.0433 7.9787e+05 2024-05-20 00:12:26,794 INFO [main.py:798]
{rank 0/64} MD step = 420900 step time: 00:00:00.356054 Performance: 37.729 ns/day 0.636 hours/ns 2.183 steps/s 2024-05-20 00:12:33,251 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420900 84180 70.403 -28460 7716.2 -36176 -36176 4.738 -10.69 1.0432 7.9805e+05 2024-05-20 00:13:07,717 INFO [main.py:798]
{rank 0/64} MD step = 421000 step time: 00:00:00.358831 Performance: 37.730 ns/day 0.636 hours/ns 2.183 steps/s 2024-05-20 00:13:14,641 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421000 84200 69.063 -28521 7569.4 -36090 -36090 4.7362 -10.691 1.0423 7.9828e+05 2024-05-20 00:13:48,903 INFO [main.py:798]
{rank 0/64} MD step = 421100 step time: 00:00:00.370562 Performance: 37.731 ns/day 0.636 hours/ns 2.183 steps/s 2024-05-20 00:13:53,540 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421100 84220 70.888 -28226 7769.4 -35995 -35995 4.7341 -10.692 1.0412 7.9846e+05 2024-05-20 00:14:29,287 INFO [main.py:798]
{rank 0/64} MD step = 421200 step time: 00:00:00.359280 Performance: 37.732 ns/day 0.636 hours/ns 2.184 steps/s 2024-05-20 00:14:34,818 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421200 84240 71.266 -28326 7810.8 -36137 -36137 4.7323 -10.694 1.0411 7.9864e+05 2024-05-20 00:15:08,559 INFO [main.py:798]
{rank 0/64} MD step = 421300 step time: 00:00:00.367586 Performance: 37.733 ns/day 0.636 hours/ns 2.184 steps/s 2024-05-20 00:15:17,361 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421300 84260 70.126 -28436 7685.8 -36122 -36122 4.7321 -10.696 1.041 7.9882e+05 2024-05-20 00:15:53,691 INFO [main.py:798]
{rank 0/64} MD step = 421400 step time: 00:00:00.361041 Performance: 37.733 ns/day 0.636 hours/ns 2.184 steps/s 2024-05-20 00:16:01,032 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421400 84280 69.811 -28386 7651.4 -36038 -36038 4.7302 -10.698 1.0414 7.9903e+05 2024-05-20 00:16:35,951 INFO [main.py:798]
{rank 0/64} MD step = 421500 step time: 00:00:00.354786 Performance: 37.734 ns/day 0.636 hours/ns 2.184 steps/s 2024-05-20 00:16:43,632 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421500 84300 69.243 -28392 7589.1 -35981 -35981 4.7299 -10.701 1.0412 7.9919e+05 2024-05-20 00:17:17,825 INFO [main.py:798]
{rank 0/64} MD step = 421600 step time: 00:00:00.349682 Performance: 37.734 ns/day 0.636 hours/ns 2.184 steps/s 2024-05-20 00:17:27,802 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421600 84320 70.274 -28460 7702.1 -36162 -36162 4.7269 -10.702 1.04 7.9933e+05 2024-05-20 00:18:02,278 INFO [main.py:798]
{rank 0/64} MD step = 421700 step time: 00:00:00.337250 Performance: 37.735 ns/day 0.636 hours/ns 2.184 steps/s 2024-05-20 00:18:10,611 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421700 84340 69.765 -28579 7646.3 -36225 -36225 4.7244 -10.706 1.0401 7.9953e+05 2024-05-20 00:18:46,245 INFO [main.py:798]
{rank 0/64} MD step = 421800 step time: 00:00:00.352246 Performance: 37.735 ns/day 0.636 hours/ns 2.184 steps/s 2024-05-20 00:18:53,169 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421800 84360 68.645 -28604 7523.6 -36128 -36128 4.7222 -10.708 1.0395 7.9972e+05 2024-05-20 00:19:26,789 INFO [main.py:798]
{rank 0/64} MD step = 421900 step time: 00:00:00.328425 Performance: 37.736 ns/day 0.636 hours/ns 2.184 steps/s 2024-05-20 00:19:34,428 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421900 84380 69.201 -28575 7584.5 -36159 -36159 4.7197 -10.711 1.0384 7.9995e+05 2024-05-20 00:20:08,522 INFO [main.py:798]
{rank 0/64} MD step = 422000 step time: 00:00:00.348493 Performance: 37.737 ns/day 0.636 hours/ns 2.184 steps/s 2024-05-20 00:20:14,840 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422000 84400 70.651 -28517 7743.4 -36260 -36260 4.7177 -10.713 1.0398 8.0012e+05 2024-05-20 00:20:49,100 INFO [main.py:798]
{rank 0/64} MD step = 422100 step time: 00:00:00.352017 Performance: 37.738 ns/day 0.636 hours/ns 2.184 steps/s 2024-05-20 00:20:57,102 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422100 84420 69.871 -28544 7658 -36202 -36202 4.7148 -10.715 1.0393 8.0032e+05 2024-05-20 00:21:32,573 INFO [main.py:798]
{rank 0/64} MD step = 422200 step time: 00:00:00.357392 Performance: 37.738 ns/day 0.636 hours/ns 2.184 steps/s 2024-05-20 00:21:39,935 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422200 84440 69.386 -28623 7604.8 -36228 -36228 4.7119 -10.716 1.0396 8.0051e+05 2024-05-20 00:22:15,467 INFO [main.py:798]
{rank 0/64} MD step = 422300 step time: 00:00:00.357246 Performance: 37.739 ns/day 0.636 hours/ns 2.184 steps/s 2024-05-20 00:22:19,681 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422300 84460 69.59 -28526 7627.1 -36153 -36153 4.7094 -10.717 1.0383 8.0066e+05 2024-05-20 00:22:56,090 INFO [main.py:798]
{rank 0/64} MD step = 422400 step time: 00:00:00.347897 Performance: 37.740 ns/day 0.636 hours/ns 2.184 steps/s 2024-05-20 00:23:02,063 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422400 84480 69.324 -28568 7597.9 -36166 -36166 4.7082 -10.719 1.0382 8.0089e+05 2024-05-20 00:23:36,421 INFO [main.py:798]
{rank 0/64} MD step = 422500 step time: 00:00:00.336817 Performance: 37.741 ns/day 0.636 hours/ns 2.184 steps/s 2024-05-20 00:23:42,233 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422500 84500 70.014 -28455 7673.7 -36129 -36129 4.707 -10.723 1.0371 8.0107e+05 2024-05-20 00:24:19,001 INFO [main.py:798]
{rank 0/64} MD step = 422600 step time: 00:00:00.330074 Performance: 37.742 ns/day 0.636 hours/ns 2.184 steps/s 2024-05-20 00:24:25,498 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422600 84520 69.557 -28589 7623.6 -36212 -36212 4.7043 -10.725 1.0379 8.0121e+05 2024-05-20 00:24:59,772 INFO [main.py:798]
{rank 0/64} MD step = 422700 step time: 00:00:00.325128 Performance: 37.743 ns/day 0.636 hours/ns 2.184 steps/s 2024-05-20 00:25:08,109 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422700 84540 69.902 -28523 7661.4 -36184 -36184 4.7011 -10.727 1.0379 8.0143e+05 2024-05-20 00:25:42,770 INFO [main.py:798]
{rank 0/64} MD step = 422800 step time: 00:00:00.326964 Performance: 37.743 ns/day 0.636 hours/ns 2.184 steps/s 2024-05-20 00:25:50,552 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422800 84560 69.731 -28545 7642.6 -36188 -36188 4.6997 -10.729 1.0386 8.0162e+05 2024-05-20 00:26:26,742 INFO [main.py:798]
{rank 0/64} MD step = 422900 step time: 00:00:00.332246 Performance: 37.744 ns/day 0.636 hours/ns 2.184 steps/s 2024-05-20 00:26:32,362 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422900 84580 70.518 -28434 7728.9 -36163 -36163 4.6963 -10.731 1.038 8.0181e+05 2024-05-20 00:27:06,335 INFO [main.py:798]
{rank 0/64} MD step = 423000 step time: 00:00:00.329742 Performance: 37.745 ns/day 0.636 hours/ns 2.184 steps/s 2024-05-20 00:27:13,188 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 423000 84600 69.425 -28624 7609.1 -36233 -36233 4.6938 -10.733 1.0388 8.02e+05 2024-05-20 00:27:47,389 INFO [main.py:798]
{rank 0/64} MD step = 423100 step time: 00:00:00.330117 Performance: 37.746 ns/day 0.636 hours/ns 2.184 steps/s 2024-05-20 00:27:53,529 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 423100 84620 70.024 -28497 7674.8 -36172 -36172 4.6922 -10.736 1.0386 8.0219e+05 2024-05-20 00:28:27,833 INFO [main.py:798]
{rank 0/64} MD step = 423200 step time: 00:00:00.327239 Performance: 37.747 ns/day 0.636 hours/ns 2.184 steps/s 2024-05-20 00:28:34,272 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 423200 84640 69.906 -28350 7661.8 -36012 -36012 4.6906 -10.738 1.0396 8.0238e+05 2024-05-20 00:29:08,508 INFO [main.py:798]
{rank 0/64} MD step = 423300 step time: 00:00:00.344163 Performance: 37.748 ns/day 0.636 hours/ns 2.184 steps/s 2024-05-20 00:29:19,199 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 423300 84660 69.859 -28405 7656.7 -36062 -36062 4.6891 -10.74 1.0409 8.0257e+05 2024-05-20 00:29:53,264 INFO [main.py:798]
{rank 0/64} MD step = 423400 step time: 00:00:00.357516 Performance: 37.748 ns/day 0.636 hours/ns 2.184 steps/s 2024-05-20 00:29:59,440 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 423400 84680 69.014 -28546 7564 -36110 -36110 4.688 -10.745 1.0421 8.0274e+05 2024-05-20 00:30:33,605 INFO [main.py:798]
{rank 0/64} MD step = 423500 step time: 00:00:00.349592 Performance: 37.749 ns/day 0.636 hours/ns 2.185 steps/s 2024-05-20 00:30:41,017 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 423500 84700 70.168 -28427 7690.5 -36117 -36117 4.685 -10.747 1.0421 8.0294e+05 2024-05-20 00:31:15,246 INFO [main.py:798]
{rank 0/64} MD step = 423600 step time: 00:00:00.336031 Performance: 37.750 ns/day 0.636 hours/ns 2.185 steps/s 2024-05-20 00:31:21,580 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 423600 84720 70.447 -28451 7721 -36172 -36172 4.6824 -10.75 1.042 8.031e+05 2024-05-20 00:31:56,017 INFO [main.py:798]
{rank 0/64} MD step = 423700 step time: 00:00:00.373578 Performance: 37.751 ns/day 0.636 hours/ns 2.185 steps/s 2024-05-20 00:32:03,247 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 423700 84740 69.956 -28642 7667.2 -36309 -36309 4.6797 -10.754 1.0433 8.0328e+05 2024-05-20 00:32:37,368 INFO [main.py:798]
{rank 0/64} MD step = 423800 step time: 00:00:00.356761 Performance: 37.752 ns/day 0.636 hours/ns 2.185 steps/s 2024-05-20 00:32:45,170 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 423800 84760 70.806 -28434 7760.5 -36194 -36194 4.6782 -10.757 1.0429 8.0349e+05 2024-05-20 00:33:19,271 INFO [main.py:798]
{rank 0/64} MD step = 423900 step time: 00:00:00.350770 Performance: 37.752 ns/day 0.636 hours/ns 2.185 steps/s 2024-05-20 00:33:32,439 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 423900 84780 68.961 -28435 7558.2 -35993 -35993 4.6773 -10.76 1.0428 8.037e+05 2024-05-20 00:34:07,367 INFO [main.py:798]
{rank 0/64} MD step = 424000 step time: 00:00:00.343604 Performance: 37.752 ns/day 0.636 hours/ns 2.185 steps/s 2024-05-20 00:34:14,581 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 424000 84800 69.865 -28427 7657.3 -36084 -36084 4.6754 -10.764 1.0441 8.0387e+05 2024-05-20 00:34:49,517 INFO [main.py:798]
{rank 0/64} MD step = 424100 step time: 00:00:00.369710 Performance: 37.753 ns/day 0.636 hours/ns 2.185 steps/s 2024-05-20 00:34:56,734 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 424100 84820 69.972 -28267 7669 -35936 -35936 4.6721 -10.766 1.0464 8.041e+05 2024-05-20 00:35:31,852 INFO [main.py:798]
{rank 0/64} MD step = 424200 step time: 00:00:00.351856 Performance: 37.753 ns/day 0.636 hours/ns 2.185 steps/s 2024-05-20 00:35:39,149 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 424200 84840 70.618 -28262 7739.8 -36002 -36002 4.6697 -10.77 1.0463 8.0429e+05 2024-05-20 00:36:13,550 INFO [main.py:798]
{rank 0/64} MD step = 424300 step time: 00:00:00.371066 Performance: 37.754 ns/day 0.636 hours/ns 2.185 steps/s 2024-05-20 00:36:18,825 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 424300 84860 70.129 -28314 7686.2 -36001 -36001 4.6665 -10.773 1.0462 8.0446e+05 2024-05-20 00:36:52,794 INFO [main.py:798]
{rank 0/64} MD step = 424400 step time: 00:00:00.349612 Performance: 37.755 ns/day 0.636 hours/ns 2.185 steps/s 2024-05-20 00:36:59,129 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 424400 84880 70.449 -28149 7721.3 -35870 -35870 4.6625 -10.776 1.0468 8.0467e+05 2024-05-20 00:37:33,405 INFO [main.py:798]
{rank 0/64} MD step = 424500 step time: 00:00:00.352801 Performance: 37.756 ns/day 0.636 hours/ns 2.185 steps/s 2024-05-20 00:37:45,405 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 424500 84900 70.175 -28133 7691.2 -35824 -35824 4.6592 -10.777 1.0477 8.0487e+05 2024-05-20 00:38:19,667 INFO [main.py:798]
{rank 0/64} MD step = 424600 step time: 00:00:00.363014 Performance: 37.756 ns/day 0.636 hours/ns 2.185 steps/s 2024-05-20 00:38:26,189 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 424600 84920 70.482 -28282 7724.9 -36007 -36007 4.6559 -10.778 1.0474 8.0501e+05 2024-05-20 00:39:00,495 INFO [main.py:798]
{rank 0/64} MD step = 424700 step time: 00:00:00.345078 Performance: 37.757 ns/day 0.636 hours/ns 2.185 steps/s 2024-05-20 00:39:07,343 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 424700 84940 69.926 -28208 7664 -35872 -35872 4.6545 -10.78 1.0474 8.0523e+05 2024-05-20 00:39:41,849 INFO [main.py:798]
{rank 0/64} MD step = 424800 step time: 00:00:00.355000 Performance: 37.758 ns/day 0.636 hours/ns 2.185 steps/s 2024-05-20 00:39:47,755 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 424800 84960 70.436 -28137 7719.9 -35857 -35857 4.6549 -10.782 1.0479 8.0542e+05 2024-05-20 00:40:22,138 INFO [main.py:798]
{rank 0/64} MD step = 424900 step time: 00:00:00.353865 Performance: 37.759 ns/day 0.636 hours/ns 2.185 steps/s 2024-05-20 00:40:29,072 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 424900 84980 68.726 -28432 7532.4 -35964 -35964 4.6508 -10.784 1.0478 8.0559e+05 2024-05-20 00:41:03,160 INFO [main.py:798]
{rank 0/64} MD step = 425000 step time: 00:00:00.338040 Performance: 37.760 ns/day 0.636 hours/ns 2.185 steps/s 2024-05-20 00:41:09,526 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425000 85000 68.702 -28487 7529.8 -36017 -36017 4.6491 -10.786 1.0507 8.0577e+05 2024-05-20 00:41:43,854 INFO [main.py:798]
{rank 0/64} MD step = 425100 step time: 00:00:00.355231 Performance: 37.761 ns/day 0.636 hours/ns 2.185 steps/s 2024-05-20 00:41:55,811 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425100 85020 69.943 -28284 7665.8 -35950 -35950 4.6485 -10.79 1.049 8.0597e+05 2024-05-20 00:42:30,074 INFO [main.py:798]
{rank 0/64} MD step = 425200 step time: 00:00:00.345264 Performance: 37.761 ns/day 0.636 hours/ns 2.185 steps/s 2024-05-20 00:42:36,304 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425200 85040 70.595 -28164 7737.3 -35901 -35901 4.6453 -10.792 1.0497 8.0621e+05 2024-05-20 00:43:12,300 INFO [main.py:798]
{rank 0/64} MD step = 425300 step time: 00:00:00.374335 Performance: 37.762 ns/day 0.636 hours/ns 2.185 steps/s 2024-05-20 00:43:19,950 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425300 85060 69.845 -28371 7655.1 -36026 -36026 4.6432 -10.793 1.0502 8.0636e+05 2024-05-20 00:43:54,892 INFO [main.py:798]
{rank 0/64} MD step = 425400 step time: 00:00:00.369062 Performance: 37.762 ns/day 0.636 hours/ns 2.185 steps/s 2024-05-20 00:44:04,407 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425400 85080 70.48 -28191 7724.7 -35916 -35916 4.6419 -10.796 1.0506 8.0659e+05 2024-05-20 00:44:38,777 INFO [main.py:798]
{rank 0/64} MD step = 425500 step time: 00:00:00.351093 Performance: 37.763 ns/day 0.636 hours/ns 2.185 steps/s 2024-05-20 00:44:45,589 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425500 85100 70.563 -28380 7733.8 -36114 -36114 4.64 -10.799 1.0504 8.0674e+05 2024-05-20 00:45:20,067 INFO [main.py:798]
{rank 0/64} MD step = 425600 step time: 00:00:00.352709 Performance: 37.763 ns/day 0.636 hours/ns 2.185 steps/s 2024-05-20 00:45:25,961 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425600 85120 69.354 -28375 7601.3 -35977 -35977 4.6369 -10.803 1.0505 8.0695e+05 2024-05-20 00:45:59,649 INFO [main.py:798]
{rank 0/64} MD step = 425700 step time: 00:00:00.343321 Performance: 37.765 ns/day 0.636 hours/ns 2.185 steps/s 2024-05-20 00:46:12,518 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425700 85140 71.249 -28510 7809 -36319 -36319 4.6332 -10.806 1.0504 8.0708e+05 2024-05-20 00:46:47,517 INFO [main.py:798]
{rank 0/64} MD step = 425800 step time: 00:00:00.355121 Performance: 37.764 ns/day 0.636 hours/ns 2.185 steps/s 2024-05-20 00:46:55,915 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425800 85160 69.305 -28512 7595.9 -36108 -36108 4.6315 -10.807 1.0519 8.0733e+05 2024-05-20 00:47:30,795 INFO [main.py:798]
{rank 0/64} MD step = 425900 step time: 00:00:00.328063 Performance: 37.765 ns/day 0.636 hours/ns 2.185 steps/s 2024-05-20 00:47:39,075 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425900 85180 70.322 -28436 7707.4 -36143 -36143 4.63 -10.81 1.053 8.075e+05 2024-05-20 00:48:13,473 INFO [main.py:798]
{rank 0/64} MD step = 426000 step time: 00:00:00.354015 Performance: 37.765 ns/day 0.636 hours/ns 2.185 steps/s 2024-05-20 00:48:18,101 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426000 85200 69.627 -28416 7631.2 -36048 -36048 4.6272 -10.813 1.0533 8.0768e+05 2024-05-20 00:48:54,869 INFO [main.py:798]
{rank 0/64} MD step = 426100 step time: 00:00:00.336470 Performance: 37.766 ns/day 0.635 hours/ns 2.186 steps/s 2024-05-20 00:49:01,028 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426100 85220 68.551 -28577 7513.3 -36090 -36090 4.6231 -10.816 1.0543 8.0786e+05 2024-05-20 00:49:35,796 INFO [main.py:798]
{rank 0/64} MD step = 426200 step time: 00:00:00.326081 Performance: 37.767 ns/day 0.635 hours/ns 2.186 steps/s 2024-05-20 00:49:40,996 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426200 85240 70.08 -28503 7680.9 -36184 -36184 4.6203 -10.819 1.0538 8.0804e+05 2024-05-20 00:50:15,550 INFO [main.py:798]
{rank 0/64} MD step = 426300 step time: 00:00:00.328136 Performance: 37.768 ns/day 0.635 hours/ns 2.186 steps/s 2024-05-20 00:50:30,211 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426300 85260 68.738 -28569 7533.7 -36103 -36103 4.6178 -10.822 1.0537 8.0824e+05 2024-05-20 00:51:04,063 INFO [main.py:798]
{rank 0/64} MD step = 426400 step time: 00:00:00.371549 Performance: 37.768 ns/day 0.635 hours/ns 2.186 steps/s 2024-05-20 00:51:10,433 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426400 85280 70.092 -28363 7682.1 -36045 -36045 4.6137 -10.824 1.0541 8.0846e+05 2024-05-20 00:51:44,576 INFO [main.py:798]
{rank 0/64} MD step = 426500 step time: 00:00:00.324939 Performance: 37.769 ns/day 0.635 hours/ns 2.186 steps/s 2024-05-20 00:51:51,474 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426500 85300 69.924 -28390 7663.8 -36054 -36054 4.6091 -10.827 1.0532 8.0866e+05 2024-05-20 00:52:26,291 INFO [main.py:798]
{rank 0/64} MD step = 426600 step time: 00:00:00.352001 Performance: 37.770 ns/day 0.635 hours/ns 2.186 steps/s 2024-05-20 00:52:33,017 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426600 85320 70.265 -28405 7701.1 -36106 -36106 4.6053 -10.831 1.0532 8.0883e+05 2024-05-20 00:53:07,084 INFO [main.py:798]
{rank 0/64} MD step = 426700 step time: 00:00:00.341879 Performance: 37.770 ns/day 0.635 hours/ns 2.186 steps/s 2024-05-20 00:53:14,844 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426700 85340 70.255 -28307 7700.1 -36007 -36007 4.6024 -10.834 1.0553 8.0903e+05 2024-05-20 00:53:48,600 INFO [main.py:798]
{rank 0/64} MD step = 426800 step time: 00:00:00.339954 Performance: 37.771 ns/day 0.635 hours/ns 2.186 steps/s 2024-05-20 00:53:55,647 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426800 85360 69.658 -28465 7634.6 -36099 -36099 4.5999 -10.838 1.058 8.092e+05 2024-05-20 00:54:31,342 INFO [main.py:798]
{rank 0/64} MD step = 426900 step time: 00:00:00.374860 Performance: 37.772 ns/day 0.635 hours/ns 2.186 steps/s 2024-05-20 00:54:38,467 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426900 85380 68.955 -28513 7557.6 -36071 -36071 4.5976 -10.841 1.0568 8.0941e+05 2024-05-20 00:55:14,564 INFO [main.py:798]
{rank 0/64} MD step = 427000 step time: 00:00:00.371527 Performance: 37.772 ns/day 0.635 hours/ns 2.186 steps/s 2024-05-20 00:55:20,667 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 427000 85400 70.134 -28556 7686.7 -36243 -36243 4.5938 -10.844 1.0567 8.096e+05 2024-05-20 00:55:56,591 INFO [main.py:798]
{rank 0/64} MD step = 427100 step time: 00:00:00.377520 Performance: 37.773 ns/day 0.635 hours/ns 2.186 steps/s 2024-05-20 00:56:02,408 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 427100 85420 70.483 -28446 7725.1 -36171 -36171 4.5911 -10.846 1.0581 8.0974e+05 2024-05-20 00:56:38,603 INFO [main.py:798]
{rank 0/64} MD step = 427200 step time: 00:00:00.354194 Performance: 37.774 ns/day 0.635 hours/ns 2.186 steps/s 2024-05-20 00:56:43,976 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 427200 85440 68.719 -28763 7531.7 -36295 -36295 4.5886 -10.85 1.0582 8.0989e+05 2024-05-20 00:57:17,827 INFO [main.py:798]
{rank 0/64} MD step = 427300 step time: 00:00:00.338802 Performance: 37.775 ns/day 0.635 hours/ns 2.186 steps/s 2024-05-20 00:57:24,126 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 427300 85460 70.008 -28365 7673 -36038 -36038 4.5857 -10.854 1.0595 8.1011e+05 2024-05-20 00:57:59,023 INFO [main.py:798]
{rank 0/64} MD step = 427400 step time: 00:00:00.352978 Performance: 37.776 ns/day 0.635 hours/ns 2.186 steps/s 2024-05-20 00:58:04,969 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 427400 85480 70.143 -28497 7687.8 -36185 -36185 4.5809 -10.857 1.0614 8.1026e+05 2024-05-20 00:58:39,342 INFO [main.py:798]
{rank 0/64} MD step = 427500 step time: 00:00:00.333960 Performance: 37.777 ns/day 0.635 hours/ns 2.186 steps/s 2024-05-20 00:58:46,551 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 427500 85500 70.933 -28426 7774.3 -36200 -36200 4.577 -10.859 1.0614 8.1044e+05 2024-05-20 00:59:22,209 INFO [main.py:798]
{rank 0/64} MD step = 427600 step time: 00:00:00.350189 Performance: 37.778 ns/day 0.635 hours/ns 2.186 steps/s 2024-05-20 00:59:27,978 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 427600 85520 70.223 -28381 7696.6 -36078 -36078 4.5742 -10.863 1.0624 8.1062e+05 2024-05-20 01:00:04,129 INFO [main.py:798]
{rank 0/64} MD step = 427700 step time: 00:00:00.370125 Performance: 37.778 ns/day 0.635 hours/ns 2.186 steps/s 2024-05-20 01:00:10,569 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 427700 85540 70.727 -28300 7751.8 -36052 -36052 4.5714 -10.866 1.0649 8.1079e+05 2024-05-20 01:00:45,411 INFO [main.py:798]
{rank 0/64} MD step = 427800 step time: 00:00:00.358072 Performance: 37.779 ns/day 0.635 hours/ns 2.186 steps/s 2024-05-20 01:00:51,611 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 427800 85560 70.356 -28376 7711.2 -36088 -36088 4.5687 -10.87 1.0672 8.1098e+05 2024-05-20 01:01:26,260 INFO [main.py:798]
{rank 0/64} MD step = 427900 step time: 00:00:00.347896 Performance: 37.780 ns/day 0.635 hours/ns 2.186 steps/s 2024-05-20 01:01:32,179 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 427900 85580 71.194 -28276 7802.9 -36079 -36079 4.5653 -10.873 1.0652 8.1118e+05 2024-05-20 01:02:06,437 INFO [main.py:798]
{rank 0/64} MD step = 428000 step time: 00:00:00.351129 Performance: 37.781 ns/day 0.635 hours/ns 2.186 steps/s 2024-05-20 01:02:12,008 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428000 85600 70.108 -28299 7683.9 -35983 -35983 4.562 -10.875 1.0653 8.1134e+05 2024-05-20 01:02:47,668 INFO [main.py:798]
{rank 0/64} MD step = 428100 step time: 00:00:00.376572 Performance: 37.782 ns/day 0.635 hours/ns 2.186 steps/s 2024-05-20 01:02:55,048 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428100 85620 70.102 -28263 7683.3 -35946 -35946 4.5595 -10.879 1.0668 8.1153e+05 2024-05-20 01:03:29,192 INFO [main.py:798]
{rank 0/64} MD step = 428200 step time: 00:00:00.348366 Performance: 37.783 ns/day 0.635 hours/ns 2.187 steps/s 2024-05-20 01:03:36,102 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428200 85640 70.592 -28281 7737 -36018 -36018 4.5577 -10.881 1.0679 8.1171e+05 2024-05-20 01:04:10,597 INFO [main.py:798]
{rank 0/64} MD step = 428300 step time: 00:00:00.354961 Performance: 37.784 ns/day 0.635 hours/ns 2.187 steps/s 2024-05-20 01:04:16,581 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428300 85660 69.899 -28423 7661 -36084 -36084 4.5556 -10.884 1.0685 8.119e+05 2024-05-20 01:04:50,269 INFO [main.py:798]
{rank 0/64} MD step = 428400 step time: 00:00:00.332764 Performance: 37.785 ns/day 0.635 hours/ns 2.187 steps/s 2024-05-20 01:04:57,023 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428400 85680 70.132 -28315 7686.6 -36002 -36002 4.5535 -10.886 1.0692 8.1209e+05 2024-05-20 01:05:31,789 INFO [main.py:798]
{rank 0/64} MD step = 428500 step time: 00:00:00.356609 Performance: 37.786 ns/day 0.635 hours/ns 2.187 steps/s 2024-05-20 01:05:38,971 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428500 85700 69.6 -28402 7628.2 -36031 -36031 4.5513 -10.89 1.0697 8.1227e+05 2024-05-20 01:06:13,804 INFO [main.py:798]
{rank 0/64} MD step = 428600 step time: 00:00:00.354192 Performance: 37.786 ns/day 0.635 hours/ns 2.187 steps/s 2024-05-20 01:06:26,167 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428600 85720 69.816 -28404 7651.9 -36056 -36056 4.5491 -10.893 1.0699 8.1248e+05 2024-05-20 01:06:58,969 INFO [main.py:798]
{rank 0/64} MD step = 428700 step time: 00:00:00.331044 Performance: 37.786 ns/day 0.635 hours/ns 2.187 steps/s 2024-05-20 01:07:07,381 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428700 85740 69.396 -28325 7605.9 -35931 -35931 4.5447 -10.898 1.0715 8.1266e+05 2024-05-20 01:07:41,076 INFO [main.py:798]
{rank 0/64} MD step = 428800 step time: 00:00:00.326439 Performance: 37.787 ns/day 0.635 hours/ns 2.187 steps/s 2024-05-20 01:07:48,528 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428800 85760 69.642 -28473 7632.8 -36106 -36106 4.5428 -10.9 1.0724 8.1284e+05 2024-05-20 01:08:22,383 INFO [main.py:798]
{rank 0/64} MD step = 428900 step time: 00:00:00.355966 Performance: 37.788 ns/day 0.635 hours/ns 2.187 steps/s 2024-05-20 01:08:29,830 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428900 85780 70.278 -28434 7702.6 -36136 -36136 4.5382 -10.903 1.0724 8.1301e+05 2024-05-20 01:09:03,594 INFO [main.py:798]
{rank 0/64} MD step = 429000 step time: 00:00:00.328059 Performance: 37.789 ns/day 0.635 hours/ns 2.187 steps/s 2024-05-20 01:09:10,906 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 429000 85800 70.779 -28320 7757.5 -36077 -36077 4.5342 -10.907 1.0725 8.1322e+05 2024-05-20 01:09:45,279 INFO [main.py:798]
{rank 0/64} MD step = 429100 step time: 00:00:00.326780 Performance: 37.790 ns/day 0.635 hours/ns 2.187 steps/s 2024-05-20 01:09:51,001 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 429100 85820 71.256 -28242 7809.8 -36052 -36052 4.5313 -10.91 1.0722 8.134e+05 2024-05-20 01:10:25,449 INFO [main.py:798]
{rank 0/64} MD step = 429200 step time: 00:00:00.325299 Performance: 37.791 ns/day 0.635 hours/ns 2.187 steps/s 2024-05-20 01:10:31,744 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 429200 85840 69.607 -28460 7629 -36089 -36089 4.5279 -10.913 1.073 8.1359e+05 2024-05-20 01:11:06,945 INFO [main.py:798]
{rank 0/64} MD step = 429300 step time: 00:00:00.326955 Performance: 37.792 ns/day 0.635 hours/ns 2.187 steps/s 2024-05-20 01:11:12,904 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 429300 85860 70.064 -28360 7679.1 -36039 -36039 4.5258 -10.915 1.0731 8.1379e+05 2024-05-20 01:11:47,096 INFO [main.py:798]
{rank 0/64} MD step = 429400 step time: 00:00:00.325982 Performance: 37.793 ns/day 0.635 hours/ns 2.187 steps/s 2024-05-20 01:11:53,971 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 429400 85880 69.269 -28696 7591.9 -36288 -36288 4.5226 -10.918 1.075 8.1391e+05 2024-05-20 01:12:27,533 INFO [main.py:798]
{rank 0/64} MD step = 429500 step time: 00:00:00.326175 Performance: 37.794 ns/day 0.635 hours/ns 2.187 steps/s 2024-05-20 01:12:33,663 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 429500 85900 70.547 -28363 7732.1 -36095 -36095 4.5202 -10.922 1.0771 8.1411e+05 2024-05-20 01:13:09,224 INFO [main.py:798]
{rank 0/64} MD step = 429600 step time: 00:00:00.326035 Performance: 37.794 ns/day 0.635 hours/ns 2.187 steps/s 2024-05-20 01:13:14,620 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 429600 85920 71.233 -28254 7807.3 -36061 -36061 4.5176 -10.923 1.0767 8.1431e+05 2024-05-20 01:13:51,146 INFO [main.py:798]
{rank 0/64} MD step = 429700 step time: 00:00:00.325829 Performance: 37.795 ns/day 0.635 hours/ns 2.187 steps/s 2024-05-20 01:13:57,626 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 429700 85940 69.667 -28577 7635.6 -36213 -36213 4.5167 -10.926 1.0767 8.1447e+05 2024-05-20 01:14:32,217 INFO [main.py:798]
{rank 0/64} MD step = 429800 step time: 00:00:00.341391 Performance: 37.796 ns/day 0.635 hours/ns 2.187 steps/s 2024-05-20 01:14:38,350 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 429800 85960 69.883 -28403 7659.3 -36062 -36062 4.5142 -10.929 1.0756 8.1472e+05 2024-05-20 01:15:12,720 INFO [main.py:798]
{rank 0/64} MD step = 429900 step time: 00:00:00.374428 Performance: 37.797 ns/day 0.635 hours/ns 2.187 steps/s 2024-05-20 01:15:18,212 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 429900 85980 70.161 -28503 7689.7 -36192 -36192 4.511 -10.933 1.0766 8.1488e+05 2024-05-20 01:15:52,256 INFO [main.py:798]
{rank 0/64} MD step = 430000 step time: 00:00:00.337636 Performance: 37.798 ns/day 0.635 hours/ns 2.187 steps/s 2024-05-20 01:15:58,656 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 430000 86000 69.49 -28456 7616.2 -36073 -36073 4.5079 -10.934 1.0778 8.1506e+05 2024-05-20 01:16:33,641 INFO [main.py:798]
{rank 0/64} MD step = 430100 step time: 00:00:00.354505 Performance: 37.799 ns/day 0.635 hours/ns 2.187 steps/s 2024-05-20 01:16:39,365 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 430100 86020 69.508 -28574 7618.1 -36192 -36192 4.5054 -10.936 1.0774 8.1524e+05 2024-05-20 01:17:14,364 INFO [main.py:798]
{rank 0/64} MD step = 430200 step time: 00:00:00.344395 Performance: 37.800 ns/day 0.635 hours/ns 2.188 steps/s 2024-05-20 01:17:20,653 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 430200 86040 70.1 -28637 7683.1 -36321 -36321 4.5019 -10.938 1.08 8.1539e+05 2024-05-20 01:17:54,779 INFO [main.py:798]
{rank 0/64} MD step = 430300 step time: 00:00:00.348897 Performance: 37.801 ns/day 0.635 hours/ns 2.188 steps/s 2024-05-20 01:18:01,813 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 430300 86060 70.38 -28367 7713.7 -36081 -36081 4.4964 -10.942 1.0802 8.1562e+05 2024-05-20 01:18:36,343 INFO [main.py:798]
{rank 0/64} MD step = 430400 step time: 00:00:00.347470 Performance: 37.802 ns/day 0.635 hours/ns 2.188 steps/s 2024-05-20 01:18:42,556 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 430400 86080 69.819 -28353 7652.3 -36005 -36005 4.4939 -10.944 1.0799 8.1583e+05 2024-05-20 01:19:17,639 INFO [main.py:798]
{rank 0/64} MD step = 430500 step time: 00:00:00.347089 Performance: 37.803 ns/day 0.635 hours/ns 2.188 steps/s 2024-05-20 01:19:23,081 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 430500 86100 70.691 -28482 7747.8 -36230 -36230 4.4906 -10.947 1.0813 8.1601e+05 2024-05-20 01:19:58,843 INFO [main.py:798]
{rank 0/64} MD step = 430600 step time: 00:00:00.377954 Performance: 37.804 ns/day 0.635 hours/ns 2.188 steps/s 2024-05-20 01:20:12,186 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 430600 86120 69.976 -28667 7669.4 -36337 -36337 4.488 -10.948 1.0816 8.1619e+05 2024-05-20 01:20:46,684 INFO [main.py:798]
{rank 0/64} MD step = 430700 step time: 00:00:00.325926 Performance: 37.803 ns/day 0.635 hours/ns 2.188 steps/s 2024-05-20 01:20:54,542 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 430700 86140 71.211 -28384 7804.8 -36189 -36189 4.4852 -10.952 1.0814 8.1641e+05 2024-05-20 01:21:30,018 INFO [main.py:798]
{rank 0/64} MD step = 430800 step time: 00:00:00.326167 Performance: 37.804 ns/day 0.635 hours/ns 2.188 steps/s 2024-05-20 01:21:38,237 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 430800 86160 70.002 -28480 7672.4 -36153 -36153 4.4825 -10.955 1.0819 8.1656e+05 2024-05-20 01:22:12,588 INFO [main.py:798]
{rank 0/64} MD step = 430900 step time: 00:00:00.346264 Performance: 37.804 ns/day 0.635 hours/ns 2.188 steps/s 2024-05-20 01:22:19,158 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 430900 86180 70.824 -28283 7762.4 -36045 -36045 4.4788 -10.957 1.083 8.1679e+05 2024-05-20 01:22:55,267 INFO [main.py:798]
{rank 0/64} MD step = 431000 step time: 00:00:00.364154 Performance: 37.805 ns/day 0.635 hours/ns 2.188 steps/s 2024-05-20 01:23:00,239 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431000 86200 71.74 -28225 7862.8 -36088 -36088 4.476 -10.96 1.0824 8.1694e+05 2024-05-20 01:23:34,965 INFO [main.py:798]
{rank 0/64} MD step = 431100 step time: 00:00:00.359538 Performance: 37.806 ns/day 0.635 hours/ns 2.188 steps/s 2024-05-20 01:23:40,933 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431100 86220 69.599 -28382 7628.1 -36010 -36010 4.4736 -10.962 1.0851 8.1714e+05 2024-05-20 01:24:14,573 INFO [main.py:798]
{rank 0/64} MD step = 431200 step time: 00:00:00.338332 Performance: 37.807 ns/day 0.635 hours/ns 2.188 steps/s 2024-05-20 01:24:24,219 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431200 86240 69.623 -28384 7630.8 -36015 -36015 4.4703 -10.965 1.0875 8.1735e+05 2024-05-20 01:25:00,565 INFO [main.py:798]
{rank 0/64} MD step = 431300 step time: 00:00:00.369807 Performance: 37.807 ns/day 0.635 hours/ns 2.188 steps/s 2024-05-20 01:25:10,789 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431300 86260 70.207 -28409 7694.8 -36103 -36103 4.4677 -10.969 1.0882 8.1753e+05 2024-05-20 01:25:46,191 INFO [main.py:798]
{rank 0/64} MD step = 431400 step time: 00:00:00.352352 Performance: 37.807 ns/day 0.635 hours/ns 2.188 steps/s 2024-05-20 01:25:52,830 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431400 86280 70.758 -28440 7755.2 -36195 -36195 4.466 -10.973 1.0881 8.1767e+05 2024-05-20 01:26:27,435 INFO [main.py:798]
{rank 0/64} MD step = 431500 step time: 00:00:00.351354 Performance: 37.808 ns/day 0.635 hours/ns 2.188 steps/s 2024-05-20 01:26:34,547 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431500 86300 70.02 -28399 7674.3 -36073 -36073 4.465 -10.975 1.0876 8.1788e+05 2024-05-20 01:27:09,822 INFO [main.py:798]
{rank 0/64} MD step = 431600 step time: 00:00:00.371348 Performance: 37.809 ns/day 0.635 hours/ns 2.188 steps/s 2024-05-20 01:27:14,138 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431600 86320 70.948 -28285 7776 -36061 -36061 4.462 -10.977 1.0874 8.1809e+05 2024-05-20 01:27:49,855 INFO [main.py:798]
{rank 0/64} MD step = 431700 step time: 00:00:00.347893 Performance: 37.810 ns/day 0.635 hours/ns 2.188 steps/s 2024-05-20 01:27:55,978 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431700 86340 69.597 -28405 7627.9 -36033 -36033 4.4613 -10.98 1.0867 8.1827e+05 2024-05-20 01:28:30,438 INFO [main.py:798]
{rank 0/64} MD step = 431800 step time: 00:00:00.340425 Performance: 37.811 ns/day 0.635 hours/ns 2.188 steps/s 2024-05-20 01:28:36,178 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431800 86360 69.298 -28492 7595.2 -36087 -36087 4.4578 -10.983 1.0865 8.1845e+05 2024-05-20 01:29:10,994 INFO [main.py:798]
{rank 0/64} MD step = 431900 step time: 00:00:00.356257 Performance: 37.812 ns/day 0.635 hours/ns 2.188 steps/s 2024-05-20 01:29:16,990 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431900 86380 70.585 -28436 7736.2 -36172 -36172 4.4558 -10.987 1.0871 8.1858e+05 2024-05-20 01:29:52,094 INFO [main.py:798]
{rank 0/64} MD step = 432000 step time: 00:00:00.336837 Performance: 37.813 ns/day 0.635 hours/ns 2.188 steps/s 2024-05-20 01:29:58,393 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 432000 86400 70.515 -28369 7728.5 -36097 -36097 4.4538 -10.989 1.0869 8.1877e+05 2024-05-20 01:30:33,697 INFO [main.py:798]
{rank 0/64} MD step = 432100 step time: 00:00:00.355917 Performance: 37.813 ns/day 0.635 hours/ns 2.188 steps/s 2024-05-20 01:30:39,557 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 432100 86420 70.077 -28451 7680.5 -36131 -36131 4.4512 -10.992 1.0876 8.1898e+05 2024-05-20 01:31:13,468 INFO [main.py:798]
{rank 0/64} MD step = 432200 step time: 00:00:00.346077 Performance: 37.814 ns/day 0.635 hours/ns 2.188 steps/s 2024-05-20 01:31:19,954 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 432200 86440 70.172 -28438 7690.9 -36129 -36129 4.4508 -10.995 1.0882 8.1914e+05 2024-05-20 01:31:54,219 INFO [main.py:798]
{rank 0/64} MD step = 432300 step time: 00:00:00.354108 Performance: 37.815 ns/day 0.635 hours/ns 2.188 steps/s 2024-05-20 01:32:03,679 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 432300 86460 70.83 -28368 7763 -36131 -36131 4.4489 -10.997 1.0884 8.1932e+05 2024-05-20 01:32:38,667 INFO [main.py:798]
{rank 0/64} MD step = 432400 step time: 00:00:00.357791 Performance: 37.816 ns/day 0.635 hours/ns 2.188 steps/s 2024-05-20 01:32:43,987 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 432400 86480 69.557 -28403 7623.6 -36027 -36027 4.4476 -11.001 1.0896 8.1954e+05 2024-05-20 01:33:18,610 INFO [main.py:798]
{rank 0/64} MD step = 432500 step time: 00:00:00.343647 Performance: 37.817 ns/day 0.635 hours/ns 2.188 steps/s 2024-05-20 01:33:25,364 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 432500 86500 69.587 -28499 7626.8 -36126 -36126 4.4456 -11.004 1.0901 8.1972e+05 2024-05-20 01:33:59,714 INFO [main.py:798]
{rank 0/64} MD step = 432600 step time: 00:00:00.349134 Performance: 37.818 ns/day 0.635 hours/ns 2.189 steps/s 2024-05-20 01:34:03,513 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 432600 86520 70.284 -28456 7703.2 -36160 -36160 4.4446 -11.007 1.0908 8.1993e+05 2024-05-20 01:34:39,011 INFO [main.py:798]
{rank 0/64} MD step = 432700 step time: 00:00:00.345711 Performance: 37.819 ns/day 0.635 hours/ns 2.189 steps/s 2024-05-20 01:34:44,411 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 432700 86540 69.677 -28539 7636.7 -36175 -36175 4.4445 -11.009 1.0924 8.2014e+05 2024-05-20 01:35:18,969 INFO [main.py:798]
{rank 0/64} MD step = 432800 step time: 00:00:00.345940 Performance: 37.820 ns/day 0.635 hours/ns 2.189 steps/s 2024-05-20 01:35:25,883 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 432800 86560 70.176 -28577 7691.4 -36269 -36269 4.4415 -11.013 1.0917 8.2027e+05 2024-05-20 01:36:00,255 INFO [main.py:798]
{rank 0/64} MD step = 432900 step time: 00:00:00.341772 Performance: 37.821 ns/day 0.635 hours/ns 2.189 steps/s 2024-05-20 01:36:06,173 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 432900 86580 70.473 -28429 7724 -36153 -36153 4.4394 -11.017 1.0916 8.2049e+05 2024-05-20 01:36:40,097 INFO [main.py:798]
{rank 0/64} MD step = 433000 step time: 00:00:00.368460 Performance: 37.822 ns/day 0.635 hours/ns 2.189 steps/s 2024-05-20 01:36:45,997 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 433000 86600 70.353 -28597 7710.7 -36308 -36308 4.4362 -11.02 1.0921 8.2065e+05 2024-05-20 01:37:19,681 INFO [main.py:798]
{rank 0/64} MD step = 433100 step time: 00:00:00.344035 Performance: 37.823 ns/day 0.635 hours/ns 2.189 steps/s 2024-05-20 01:37:25,659 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 433100 86620 69.952 -28626 7666.8 -36293 -36293 4.4345 -11.022 1.094 8.2082e+05 2024-05-20 01:38:00,840 INFO [main.py:798]
{rank 0/64} MD step = 433200 step time: 00:00:00.338468 Performance: 37.824 ns/day 0.635 hours/ns 2.189 steps/s 2024-05-20 01:38:07,360 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 433200 86640 69.472 -28555 7614.3 -36169 -36169 4.4312 -11.024 1.0948 8.2103e+05 2024-05-20 01:38:41,483 INFO [main.py:798]
{rank 0/64} MD step = 433300 step time: 00:00:00.350940 Performance: 37.825 ns/day 0.635 hours/ns 2.189 steps/s 2024-05-20 01:38:53,871 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 433300 86660 69.902 -28531 7661.4 -36192 -36192 4.428 -11.028 1.094 8.212e+05 2024-05-20 01:39:28,097 INFO [main.py:798]
{rank 0/64} MD step = 433400 step time: 00:00:00.354063 Performance: 37.825 ns/day 0.635 hours/ns 2.189 steps/s 2024-05-20 01:39:34,513 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 433400 86680 70.529 -28413 7730.1 -36143 -36143 4.4252 -11.032 1.094 8.2138e+05 2024-05-20 01:40:08,195 INFO [main.py:798]
{rank 0/64} MD step = 433500 step time: 00:00:00.328535 Performance: 37.826 ns/day 0.634 hours/ns 2.189 steps/s 2024-05-20 01:40:15,618 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 433500 86700 71.367 -28420 7821.9 -36242 -36242 4.422 -11.036 1.0947 8.2156e+05 2024-05-20 01:40:49,829 INFO [main.py:798]
{rank 0/64} MD step = 433600 step time: 00:00:00.327462 Performance: 37.827 ns/day 0.634 hours/ns 2.189 steps/s 2024-05-20 01:40:58,402 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 433600 86720 70.721 -28322 7751.1 -36073 -36073 4.4164 -11.038 1.0945 8.2179e+05 2024-05-20 01:41:32,687 INFO [main.py:798]
{rank 0/64} MD step = 433700 step time: 00:00:00.325443 Performance: 37.827 ns/day 0.634 hours/ns 2.189 steps/s 2024-05-20 01:41:39,157 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 433700 86740 70.262 -28447 7700.8 -36148 -36148 4.4135 -11.041 1.0925 8.2198e+05 2024-05-20 01:42:13,540 INFO [main.py:798]
{rank 0/64} MD step = 433800 step time: 00:00:00.326257 Performance: 37.828 ns/day 0.634 hours/ns 2.189 steps/s 2024-05-20 01:42:21,880 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 433800 86760 69.828 -28593 7653.2 -36246 -36246 4.4094 -11.044 1.0929 8.2217e+05 2024-05-20 01:42:56,260 INFO [main.py:798]
{rank 0/64} MD step = 433900 step time: 00:00:00.331615 Performance: 37.829 ns/day 0.634 hours/ns 2.189 steps/s 2024-05-20 01:43:03,087 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 433900 86780 69.435 -28606 7610.1 -36216 -36216 4.4061 -11.045 1.093 8.2236e+05 2024-05-20 01:43:38,126 INFO [main.py:798]
{rank 0/64} MD step = 434000 step time: 00:00:00.329637 Performance: 37.829 ns/day 0.634 hours/ns 2.189 steps/s 2024-05-20 01:43:44,043 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 434000 86800 69.928 -28547 7664.2 -36211 -36211 4.4047 -11.047 1.0946 8.2259e+05 2024-05-20 01:44:17,937 INFO [main.py:798]
{rank 0/64} MD step = 434100 step time: 00:00:00.327901 Performance: 37.830 ns/day 0.634 hours/ns 2.189 steps/s 2024-05-20 01:44:24,974 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 434100 86820 70.005 -28575 7672.6 -36248 -36248 4.4023 -11.048 1.0945 8.2276e+05 2024-05-20 01:44:58,550 INFO [main.py:798]
{rank 0/64} MD step = 434200 step time: 00:00:00.330537 Performance: 37.831 ns/day 0.634 hours/ns 2.189 steps/s 2024-05-20 01:45:04,168 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 434200 86840 69.874 -28589 7658.3 -36247 -36247 4.3995 -11.052 1.0956 8.2296e+05 2024-05-20 01:45:38,945 INFO [main.py:798]
{rank 0/64} MD step = 434300 step time: 00:00:00.330871 Performance: 37.832 ns/day 0.634 hours/ns 2.189 steps/s 2024-05-20 01:45:44,926 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 434300 86860 69.777 -28521 7647.7 -36169 -36169 4.3959 -11.055 1.0956 8.2317e+05 2024-05-20 01:46:19,160 INFO [main.py:798]
{rank 0/64} MD step = 434400 step time: 00:00:00.330609 Performance: 37.833 ns/day 0.634 hours/ns 2.189 steps/s 2024-05-20 01:46:24,778 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 434400 86880 71.705 -28418 7859 -36276 -36276 4.3923 -11.06 1.0959 8.2332e+05 2024-05-20 01:47:01,147 INFO [main.py:798]
{rank 0/64} MD step = 434500 step time: 00:00:00.330109 Performance: 37.834 ns/day 0.634 hours/ns 2.189 steps/s 2024-05-20 01:47:06,650 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 434500 86900 69.805 -28476 7650.7 -36126 -36126 4.3914 -11.064 1.0967 8.2354e+05 2024-05-20 01:47:41,493 INFO [main.py:798]
{rank 0/64} MD step = 434600 step time: 00:00:00.331628 Performance: 37.835 ns/day 0.634 hours/ns 2.190 steps/s 2024-05-20 01:47:47,419 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 434600 86920 70.447 -28421 7721.1 -36142 -36142 4.3906 -11.068 1.0976 8.2374e+05 2024-05-20 01:48:21,200 INFO [main.py:798]
{rank 0/64} MD step = 434700 step time: 00:00:00.327879 Performance: 37.836 ns/day 0.634 hours/ns 2.190 steps/s 2024-05-20 01:48:27,218 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 434700 86940 70.586 -28495 7736.3 -36231 -36231 4.3897 -11.071 1.0985 8.2391e+05 2024-05-20 01:49:01,042 INFO [main.py:798]
{rank 0/64} MD step = 434800 step time: 00:00:00.329558 Performance: 37.837 ns/day 0.634 hours/ns 2.190 steps/s 2024-05-20 01:49:07,963 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 434800 86960 69.239 -28446 7588.7 -36034 -36034 4.3883 -11.076 1.0995 8.2414e+05 2024-05-20 01:49:42,823 INFO [main.py:798]
{rank 0/64} MD step = 434900 step time: 00:00:00.331417 Performance: 37.838 ns/day 0.634 hours/ns 2.190 steps/s 2024-05-20 01:49:51,704 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 434900 86980 70.002 -28463 7672.3 -36135 -36135 4.3875 -11.079 1.1015 8.2429e+05 2024-05-20 01:50:27,170 INFO [main.py:798]
{rank 0/64} MD step = 435000 step time: 00:00:00.353139 Performance: 37.838 ns/day 0.634 hours/ns 2.190 steps/s 2024-05-20 01:50:35,185 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435000 87000 68.992 -28574 7561.6 -36136 -36136 4.3847 -11.079 1.1012 8.2452e+05 2024-05-20 01:51:09,693 INFO [main.py:798]
{rank 0/64} MD step = 435100 step time: 00:00:00.340038 Performance: 37.839 ns/day 0.634 hours/ns 2.190 steps/s 2024-05-20 01:51:15,235 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435100 87020 69.916 -28481 7662.9 -36144 -36144 4.3821 -11.083 1.1018 8.2471e+05 2024-05-20 01:51:49,234 INFO [main.py:798]
{rank 0/64} MD step = 435200 step time: 00:00:00.330196 Performance: 37.840 ns/day 0.634 hours/ns 2.190 steps/s 2024-05-20 01:51:59,939 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435200 87040 70.56 -28346 7733.5 -36080 -36080 4.3791 -11.087 1.1039 8.2492e+05 2024-05-20 01:52:35,429 INFO [main.py:798]
{rank 0/64} MD step = 435300 step time: 00:00:00.351864 Performance: 37.840 ns/day 0.634 hours/ns 2.190 steps/s 2024-05-20 01:52:42,580 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435300 87060 70.234 -28267 7697.7 -35964 -35964 4.3774 -11.092 1.1051 8.2506e+05 2024-05-20 01:53:17,098 INFO [main.py:798]
{rank 0/64} MD step = 435400 step time: 00:00:00.354971 Performance: 37.841 ns/day 0.634 hours/ns 2.190 steps/s 2024-05-20 01:53:23,467 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435400 87080 70.018 -28355 7674.1 -36029 -36029 4.3753 -11.096 1.1042 8.2525e+05 2024-05-20 01:53:58,156 INFO [main.py:798]
{rank 0/64} MD step = 435500 step time: 00:00:00.349918 Performance: 37.842 ns/day 0.634 hours/ns 2.190 steps/s 2024-05-20 01:54:05,179 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435500 87100 69.504 -28409 7617.7 -36026 -36026 4.3725 -11.1 1.1043 8.2544e+05 2024-05-20 01:54:39,727 INFO [main.py:798]
{rank 0/64} MD step = 435600 step time: 00:00:00.357796 Performance: 37.842 ns/day 0.634 hours/ns 2.190 steps/s 2024-05-20 01:54:46,618 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435600 87120 70.393 -28446 7715.2 -36161 -36161 4.3697 -11.102 1.1046 8.256e+05 2024-05-20 01:55:22,798 INFO [main.py:798]
{rank 0/64} MD step = 435700 step time: 00:00:00.369972 Performance: 37.843 ns/day 0.634 hours/ns 2.190 steps/s 2024-05-20 01:55:29,126 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435700 87140 68.818 -28401 7542.6 -35944 -35944 4.3674 -11.104 1.1044 8.2585e+05 2024-05-20 01:56:03,924 INFO [main.py:798]
{rank 0/64} MD step = 435800 step time: 00:00:00.346320 Performance: 37.844 ns/day 0.634 hours/ns 2.190 steps/s 2024-05-20 01:56:09,644 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435800 87160 69.1 -28386 7573.5 -35959 -35959 4.364 -11.105 1.1041 8.2602e+05 2024-05-20 01:56:43,824 INFO [main.py:798]
{rank 0/64} MD step = 435900 step time: 00:00:00.327689 Performance: 37.845 ns/day 0.634 hours/ns 2.190 steps/s 2024-05-20 01:57:04,122 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435900 87180 70.113 -28276 7684.4 -35960 -35960 4.3615 -11.109 1.1057 8.2621e+05 2024-05-20 01:57:39,972 INFO [main.py:798]
{rank 0/64} MD step = 436000 step time: 00:00:00.327442 Performance: 37.843 ns/day 0.634 hours/ns 2.190 steps/s 2024-05-20 01:57:47,200 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 436000 87200 70.082 -28274 7681.1 -35955 -35955 4.3597 -11.112 1.106 8.264e+05 2024-05-20 01:58:21,715 INFO [main.py:798]
{rank 0/64} MD step = 436100 step time: 00:00:00.327213 Performance: 37.844 ns/day 0.634 hours/ns 2.190 steps/s 2024-05-20 01:58:28,484 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 436100 87220 71.352 -28224 7820.3 -36045 -36045 4.358 -11.115 1.1066 8.2654e+05 2024-05-20 01:59:02,308 INFO [main.py:798]
{rank 0/64} MD step = 436200 step time: 00:00:00.348062 Performance: 37.845 ns/day 0.634 hours/ns 2.190 steps/s 2024-05-20 01:59:08,776 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 436200 87240 70.816 -28071 7761.5 -35832 -35832 4.3557 -11.118 1.1066 8.2675e+05 2024-05-20 01:59:43,207 INFO [main.py:798]
{rank 0/64} MD step = 436300 step time: 00:00:00.346061 Performance: 37.846 ns/day 0.634 hours/ns 2.190 steps/s 2024-05-20 01:59:51,641 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 436300 87260 70.689 -28201 7747.7 -35949 -35949 4.3527 -11.121 1.1082 8.2692e+05 2024-05-20 02:00:26,199 INFO [main.py:798]
{rank 0/64} MD step = 436400 step time: 00:00:00.350025 Performance: 37.846 ns/day 0.634 hours/ns 2.190 steps/s 2024-05-20 02:00:32,314 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 436400 87280 69.572 -28327 7625.2 -35953 -35953 4.3488 -11.124 1.1086 8.2709e+05 2024-05-20 02:01:06,478 INFO [main.py:798]
{rank 0/64} MD step = 436500 step time: 00:00:00.345468 Performance: 37.847 ns/day 0.634 hours/ns 2.190 steps/s 2024-05-20 02:01:12,797 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 436500 87300 69.424 -28418 7609 -36027 -36027 4.3471 -11.126 1.1093 8.2726e+05 2024-05-20 02:01:47,451 INFO [main.py:798]
{rank 0/64} MD step = 436600 step time: 00:00:00.344272 Performance: 37.848 ns/day 0.634 hours/ns 2.190 steps/s 2024-05-20 02:01:55,045 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 436600 87320 70.472 -28181 7723.8 -35905 -35905 4.344 -11.13 1.1096 8.2747e+05 2024-05-20 02:02:29,404 INFO [main.py:798]
{rank 0/64} MD step = 436700 step time: 00:00:00.341405 Performance: 37.849 ns/day 0.634 hours/ns 2.190 steps/s 2024-05-20 02:02:39,772 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 436700 87340 70.128 -28321 7686.1 -36007 -36007 4.341 -11.133 1.111 8.2766e+05 2024-05-20 02:03:14,371 INFO [main.py:798]
{rank 0/64} MD step = 436800 step time: 00:00:00.343684 Performance: 37.849 ns/day 0.634 hours/ns 2.190 steps/s 2024-05-20 02:03:21,692 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 436800 87360 69.946 -28311 7666.1 -35977 -35977 4.3383 -11.137 1.1123 8.2784e+05 2024-05-20 02:03:56,130 INFO [main.py:798]
{rank 0/64} MD step = 436900 step time: 00:00:00.327371 Performance: 37.850 ns/day 0.634 hours/ns 2.190 steps/s 2024-05-20 02:04:01,899 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 436900 87380 71.216 -28232 7805.4 -36038 -36038 4.3356 -11.14 1.1133 8.2804e+05 2024-05-20 02:04:36,532 INFO [main.py:798]
{rank 0/64} MD step = 437000 step time: 00:00:00.352175 Performance: 37.851 ns/day 0.634 hours/ns 2.190 steps/s 2024-05-20 02:04:44,964 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437000 87400 69.115 -28400 7575.1 -35975 -35975 4.334 -11.144 1.1134 8.2823e+05 2024-05-20 02:05:20,344 INFO [main.py:798]
{rank 0/64} MD step = 437100 step time: 00:00:00.377088 Performance: 37.851 ns/day 0.634 hours/ns 2.190 steps/s 2024-05-20 02:05:27,406 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437100 87420 70.321 -28332 7707.3 -36039 -36039 4.3329 -11.147 1.1136 8.2842e+05 2024-05-20 02:06:01,662 INFO [main.py:798]
{rank 0/64} MD step = 437200 step time: 00:00:00.326182 Performance: 37.852 ns/day 0.634 hours/ns 2.190 steps/s 2024-05-20 02:06:07,314 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437200 87440 69.715 -28389 7640.9 -36030 -36030 4.332 -11.151 1.1145 8.2863e+05 2024-05-20 02:06:42,210 INFO [main.py:798]
{rank 0/64} MD step = 437300 step time: 00:00:00.336208 Performance: 37.853 ns/day 0.634 hours/ns 2.191 steps/s 2024-05-20 02:06:51,331 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437300 87460 69.832 -28364 7653.7 -36017 -36017 4.3306 -11.155 1.115 8.2883e+05 2024-05-20 02:07:25,814 INFO [main.py:798]
{rank 0/64} MD step = 437400 step time: 00:00:00.327128 Performance: 37.853 ns/day 0.634 hours/ns 2.191 steps/s 2024-05-20 02:07:34,007 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437400 87480 70.689 -28317 7747.7 -36064 -36064 4.3286 -11.158 1.1158 8.2902e+05 2024-05-20 02:08:08,960 INFO [main.py:798]
{rank 0/64} MD step = 437500 step time: 00:00:00.332386 Performance: 37.854 ns/day 0.634 hours/ns 2.191 steps/s 2024-05-20 02:08:14,879 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437500 87500 69.148 -28482 7578.7 -36061 -36061 4.3247 -11.162 1.1176 8.2923e+05 2024-05-20 02:08:49,223 INFO [main.py:798]
{rank 0/64} MD step = 437600 step time: 00:00:00.328677 Performance: 37.855 ns/day 0.634 hours/ns 2.191 steps/s 2024-05-20 02:08:54,924 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437600 87520 69.3 -28434 7595.4 -36029 -36029 4.3224 -11.165 1.1191 8.294e+05 2024-05-20 02:09:29,438 INFO [main.py:798]
{rank 0/64} MD step = 437700 step time: 00:00:00.330637 Performance: 37.856 ns/day 0.634 hours/ns 2.191 steps/s 2024-05-20 02:09:35,989 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437700 87540 69.33 -28366 7598.6 -35965 -35965 4.3199 -11.168 1.1187 8.2963e+05 2024-05-20 02:10:11,490 INFO [main.py:798]
{rank 0/64} MD step = 437800 step time: 00:00:00.329958 Performance: 37.856 ns/day 0.634 hours/ns 2.191 steps/s 2024-05-20 02:10:18,730 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437800 87560 69.791 -28466 7649.2 -36116 -36116 4.3192 -11.171 1.1191 8.298e+05 2024-05-20 02:10:53,644 INFO [main.py:798]
{rank 0/64} MD step = 437900 step time: 00:00:00.335451 Performance: 37.857 ns/day 0.634 hours/ns 2.191 steps/s 2024-05-20 02:11:05,838 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437900 87580 70.886 -28118 7769.2 -35887 -35887 4.3185 -11.173 1.1178 8.3004e+05 2024-05-20 02:11:40,476 INFO [main.py:798]
{rank 0/64} MD step = 438000 step time: 00:00:00.344061 Performance: 37.857 ns/day 0.634 hours/ns 2.191 steps/s 2024-05-20 02:11:47,699 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438000 87600 69.02 -28487 7564.7 -36052 -36052 4.3172 -11.176 1.1176 8.3019e+05 2024-05-20 02:12:22,187 INFO [main.py:798]
{rank 0/64} MD step = 438100 step time: 00:00:00.326913 Performance: 37.857 ns/day 0.634 hours/ns 2.191 steps/s 2024-05-20 02:12:29,294 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438100 87620 70.17 -28450 7690.7 -36141 -36141 4.314 -11.181 1.1175 8.3034e+05 2024-05-20 02:13:03,163 INFO [main.py:798]
{rank 0/64} MD step = 438200 step time: 00:00:00.351790 Performance: 37.858 ns/day 0.634 hours/ns 2.191 steps/s 2024-05-20 02:13:10,248 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438200 87640 70.312 -28476 7706.3 -36182 -36182 4.313 -11.184 1.1175 8.3053e+05 2024-05-20 02:13:45,225 INFO [main.py:798]
{rank 0/64} MD step = 438300 step time: 00:00:00.348638 Performance: 37.859 ns/day 0.634 hours/ns 2.191 steps/s 2024-05-20 02:13:50,755 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438300 87660 70.278 -28414 7702.5 -36117 -36117 4.3102 -11.187 1.1174 8.3074e+05 2024-05-20 02:14:24,792 INFO [main.py:798]
{rank 0/64} MD step = 438400 step time: 00:00:00.361053 Performance: 37.860 ns/day 0.634 hours/ns 2.191 steps/s 2024-05-20 02:14:31,351 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438400 87680 70.006 -28465 7672.8 -36138 -36138 4.3075 -11.191 1.1179 8.3092e+05 2024-05-20 02:15:05,867 INFO [main.py:798]
{rank 0/64} MD step = 438500 step time: 00:00:00.350686 Performance: 37.861 ns/day 0.634 hours/ns 2.191 steps/s 2024-05-20 02:15:19,108 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438500 87700 71.088 -28456 7791.4 -36247 -36247 4.3053 -11.193 1.1182 8.3106e+05 2024-05-20 02:15:53,732 INFO [main.py:798]
{rank 0/64} MD step = 438600 step time: 00:00:00.350464 Performance: 37.861 ns/day 0.634 hours/ns 2.191 steps/s 2024-05-20 02:15:59,893 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438600 87720 70.777 -28422 7757.2 -36179 -36179 4.3057 -11.197 1.1179 8.3125e+05 2024-05-20 02:16:34,609 INFO [main.py:798]
{rank 0/64} MD step = 438700 step time: 00:00:00.345411 Performance: 37.861 ns/day 0.634 hours/ns 2.191 steps/s 2024-05-20 02:16:40,547 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438700 87740 69.215 -28670 7586 -36256 -36256 4.3039 -11.199 1.1191 8.3141e+05 2024-05-20 02:17:14,809 INFO [main.py:798]
{rank 0/64} MD step = 438800 step time: 00:00:00.361752 Performance: 37.863 ns/day 0.634 hours/ns 2.191 steps/s 2024-05-20 02:17:21,108 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438800 87760 70.434 -28361 7719.7 -36081 -36081 4.3005 -11.202 1.1191 8.3164e+05 2024-05-20 02:17:55,991 INFO [main.py:798]
{rank 0/64} MD step = 438900 step time: 00:00:00.347614 Performance: 37.863 ns/day 0.634 hours/ns 2.191 steps/s 2024-05-20 02:18:02,147 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438900 87780 70.315 -28483 7706.6 -36190 -36190 4.2985 -11.204 1.1175 8.318e+05 2024-05-20 02:18:36,660 INFO [main.py:798]
{rank 0/64} MD step = 439000 step time: 00:00:00.352525 Performance: 37.864 ns/day 0.634 hours/ns 2.191 steps/s 2024-05-20 02:18:44,434 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439000 87800 69.8 -28327 7650.1 -35977 -35977 4.2978 -11.205 1.1193 8.32e+05 2024-05-20 02:19:19,305 INFO [main.py:798]
{rank 0/64} MD step = 439100 step time: 00:00:00.353826 Performance: 37.865 ns/day 0.634 hours/ns 2.191 steps/s 2024-05-20 02:19:33,236 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439100 87820 70.249 -28429 7699.4 -36129 -36129 4.2956 -11.207 1.1204 8.3218e+05 2024-05-20 02:20:07,383 INFO [main.py:798]
{rank 0/64} MD step = 439200 step time: 00:00:00.332283 Performance: 37.864 ns/day 0.634 hours/ns 2.191 steps/s 2024-05-20 02:20:13,575 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439200 87840 69.933 -28323 7664.8 -35988 -35988 4.2939 -11.21 1.1188 8.3239e+05 2024-05-20 02:20:48,458 INFO [main.py:798]
{rank 0/64} MD step = 439300 step time: 00:00:00.351046 Performance: 37.865 ns/day 0.634 hours/ns 2.191 steps/s 2024-05-20 02:20:53,865 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439300 87860 70.179 -28129 7691.7 -35821 -35821 4.2913 -11.213 1.1181 8.3265e+05 2024-05-20 02:21:28,426 INFO [main.py:798]
{rank 0/64} MD step = 439400 step time: 00:00:00.330215 Performance: 37.866 ns/day 0.634 hours/ns 2.191 steps/s 2024-05-20 02:21:34,544 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439400 87880 70.474 -28232 7724 -35956 -35956 4.2895 -11.216 1.1174 8.3281e+05 2024-05-20 02:22:10,559 INFO [main.py:798]
{rank 0/64} MD step = 439500 step time: 00:00:00.331352 Performance: 37.867 ns/day 0.634 hours/ns 2.191 steps/s 2024-05-20 02:22:16,299 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439500 87900 69.229 -28426 7587.6 -36013 -36013 4.2859 -11.221 1.1169 8.3298e+05 2024-05-20 02:22:50,396 INFO [main.py:798]
{rank 0/64} MD step = 439600 step time: 00:00:00.331966 Performance: 37.868 ns/day 0.634 hours/ns 2.191 steps/s 2024-05-20 02:22:57,150 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439600 87920 69.68 -28364 7637 -36001 -36001 4.284 -11.223 1.1175 8.3317e+05 2024-05-20 02:23:30,950 INFO [main.py:798]
{rank 0/64} MD step = 439700 step time: 00:00:00.327126 Performance: 37.869 ns/day 0.634 hours/ns 2.191 steps/s 2024-05-20 02:23:43,089 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439700 87940 70.876 -28241 7768.1 -36009 -36009 4.2814 -11.226 1.1172 8.3337e+05 2024-05-20 02:24:17,570 INFO [main.py:798]
{rank 0/64} MD step = 439800 step time: 00:00:00.350434 Performance: 37.869 ns/day 0.634 hours/ns 2.191 steps/s 2024-05-20 02:24:25,221 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439800 87960 70.883 -28242 7768.8 -36011 -36011 4.2811 -11.231 1.118 8.3358e+05 2024-05-20 02:24:59,921 INFO [main.py:798]
{rank 0/64} MD step = 439900 step time: 00:00:00.352975 Performance: 37.869 ns/day 0.634 hours/ns 2.192 steps/s 2024-05-20 02:25:06,080 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439900 87980 69.137 -28482 7577.5 -36059 -36059 4.2793 -11.233 1.1188 8.3377e+05 2024-05-20 02:25:40,394 INFO [main.py:798]
{rank 0/64} MD step = 440000 step time: 00:00:00.348809 Performance: 37.870 ns/day 0.634 hours/ns 2.192 steps/s 2024-05-20 02:25:47,737 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440000 88000 69.713 -28316 7640.6 -35956 -35956 4.2783 -11.236 1.1212 8.3396e+05 2024-05-20 02:26:22,008 INFO [main.py:798]
{rank 0/64} MD step = 440100 step time: 00:00:00.352849 Performance: 37.871 ns/day 0.634 hours/ns 2.192 steps/s 2024-05-20 02:26:29,387 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440100 88020 69.445 -28219 7611.3 -35830 -35830 4.2746 -11.24 1.1225 8.3417e+05 2024-05-20 02:27:03,930 INFO [main.py:798]
{rank 0/64} MD step = 440200 step time: 00:00:00.348532 Performance: 37.872 ns/day 0.634 hours/ns 2.192 steps/s 2024-05-20 02:27:10,574 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440200 88040 70.127 -28283 7686 -35969 -35969 4.2722 -11.241 1.1228 8.3435e+05 2024-05-20 02:27:44,651 INFO [main.py:798]
{rank 0/64} MD step = 440300 step time: 00:00:00.349295 Performance: 37.873 ns/day 0.634 hours/ns 2.192 steps/s 2024-05-20 02:27:52,075 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440300 88060 69.71 -28382 7640.3 -36023 -36023 4.2699 -11.243 1.1242 8.3451e+05 2024-05-20 02:28:26,805 INFO [main.py:798]
{rank 0/64} MD step = 440400 step time: 00:00:00.351829 Performance: 37.873 ns/day 0.634 hours/ns 2.192 steps/s 2024-05-20 02:28:32,085 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440400 88080 70.937 -28274 7774.8 -36049 -36049 4.2674 -11.246 1.1251 8.3469e+05 2024-05-20 02:29:06,082 INFO [main.py:798]
{rank 0/64} MD step = 440500 step time: 00:00:00.338592 Performance: 37.875 ns/day 0.634 hours/ns 2.192 steps/s 2024-05-20 02:29:12,631 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440500 88100 70.196 -28290 7693.6 -35983 -35983 4.266 -11.246 1.1252 8.3485e+05 2024-05-20 02:29:47,208 INFO [main.py:798]
{rank 0/64} MD step = 440600 step time: 00:00:00.346928 Performance: 37.876 ns/day 0.634 hours/ns 2.192 steps/s 2024-05-20 02:29:58,387 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440600 88120 69.613 -28461 7629.7 -36090 -36090 4.2626 -11.247 1.1254 8.3502e+05 2024-05-20 02:30:33,219 INFO [main.py:798]
{rank 0/64} MD step = 440700 step time: 00:00:00.341986 Performance: 37.875 ns/day 0.634 hours/ns 2.192 steps/s 2024-05-20 02:30:40,816 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440700 88140 70.571 -28369 7734.7 -36104 -36104 4.2595 -11.247 1.1279 8.3519e+05 2024-05-20 02:31:15,299 INFO [main.py:798]
{rank 0/64} MD step = 440800 step time: 00:00:00.340034 Performance: 37.876 ns/day 0.634 hours/ns 2.192 steps/s 2024-05-20 02:31:23,329 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440800 88160 69.96 -28407 7667.7 -36075 -36075 4.2587 -11.249 1.1282 8.3543e+05 2024-05-20 02:31:58,447 INFO [main.py:798]
{rank 0/64} MD step = 440900 step time: 00:00:00.374796 Performance: 37.877 ns/day 0.634 hours/ns 2.192 steps/s 2024-05-20 02:32:04,987 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440900 88180 71.394 -28322 7824.9 -36147 -36147 4.2574 -11.252 1.1302 8.356e+05 2024-05-20 02:32:39,173 INFO [main.py:798]
{rank 0/64} MD step = 441000 step time: 00:00:00.340767 Performance: 37.878 ns/day 0.634 hours/ns 2.192 steps/s 2024-05-20 02:32:45,948 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 441000 88200 69.847 -28518 7655.3 -36173 -36173 4.2554 -11.254 1.1313 8.3578e+05 2024-05-20 02:33:20,073 INFO [main.py:798]
{rank 0/64} MD step = 441100 step time: 00:00:00.344133 Performance: 37.878 ns/day 0.634 hours/ns 2.192 steps/s 2024-05-20 02:33:25,888 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 441100 88220 70.388 -28286 7714.6 -36000 -36000 4.2541 -11.256 1.1311 8.3596e+05 2024-05-20 02:33:59,870 INFO [main.py:798]
{rank 0/64} MD step = 441200 step time: 00:00:00.352364 Performance: 37.879 ns/day 0.634 hours/ns 2.192 steps/s 2024-05-20 02:34:05,258 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 441200 88240 70.873 -28320 7767.7 -36088 -36088 4.2519 -11.259 1.1315 8.3616e+05 2024-05-20 02:34:39,762 INFO [main.py:798]
{rank 0/64} MD step = 441300 step time: 00:00:00.351661 Performance: 37.881 ns/day 0.634 hours/ns 2.192 steps/s 2024-05-20 02:34:45,929 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 441300 88260 70.53 -28247 7730.2 -35977 -35977 4.25 -11.262 1.1317 8.3639e+05 2024-05-20 02:35:19,860 INFO [main.py:798]
{rank 0/64} MD step = 441400 step time: 00:00:00.350192 Performance: 37.882 ns/day 0.634 hours/ns 2.192 steps/s 2024-05-20 02:35:26,178 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 441400 88280 69.138 -28445 7577.6 -36022 -36022 4.2475 -11.262 1.1315 8.3658e+05 2024-05-20 02:36:00,194 INFO [main.py:798]
{rank 0/64} MD step = 441500 step time: 00:00:00.335630 Performance: 37.883 ns/day 0.634 hours/ns 2.192 steps/s 2024-05-20 02:36:06,232 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 441500 88300 70.653 -28393 7743.7 -36137 -36137 4.2457 -11.263 1.1311 8.3674e+05 2024-05-20 02:36:42,173 INFO [main.py:798]
{rank 0/64} MD step = 441600 step time: 00:00:00.373121 Performance: 37.883 ns/day 0.634 hours/ns 2.192 steps/s 2024-05-20 02:36:48,369 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 441600 88320 70.402 -28401 7716.2 -36117 -36117 4.2442 -11.266 1.1305 8.3693e+05 2024-05-20 02:37:22,885 INFO [main.py:798]
{rank 0/64} MD step = 441700 step time: 00:00:00.352836 Performance: 37.884 ns/day 0.634 hours/ns 2.192 steps/s 2024-05-20 02:37:31,172 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 441700 88340 70.232 -28497 7697.5 -36195 -36195 4.2404 -11.267 1.1302 8.3713e+05 2024-05-20 02:38:05,580 INFO [main.py:798]
{rank 0/64} MD step = 441800 step time: 00:00:00.353011 Performance: 37.885 ns/day 0.634 hours/ns 2.192 steps/s 2024-05-20 02:38:11,643 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 441800 88360 69.933 -28452 7664.8 -36116 -36116 4.2379 -11.267 1.1292 8.3734e+05 2024-05-20 02:38:46,293 INFO [main.py:798]
{rank 0/64} MD step = 441900 step time: 00:00:00.343327 Performance: 37.886 ns/day 0.633 hours/ns 2.192 steps/s 2024-05-20 02:38:52,537 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 441900 88380 70.815 -28453 7761.4 -36214 -36214 4.2357 -11.268 1.1287 8.3752e+05 2024-05-20 02:39:26,614 INFO [main.py:798]
{rank 0/64} MD step = 442000 step time: 00:00:00.334371 Performance: 37.887 ns/day 0.633 hours/ns 2.193 steps/s 2024-05-20 02:39:32,739 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 442000 88400 69.925 -28352 7663.9 -36016 -36016 4.2333 -11.272 1.1283 8.3773e+05 2024-05-20 02:40:06,923 INFO [main.py:798]
{rank 0/64} MD step = 442100 step time: 00:00:00.350074 Performance: 37.888 ns/day 0.633 hours/ns 2.193 steps/s 2024-05-20 02:40:13,944 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 442100 88420 70.173 -28431 7691 -36122 -36122 4.2316 -11.273 1.128 8.3793e+05 2024-05-20 02:40:49,715 INFO [main.py:798]
{rank 0/64} MD step = 442200 step time: 00:00:00.373831 Performance: 37.888 ns/day 0.633 hours/ns 2.193 steps/s 2024-05-20 02:40:57,720 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 442200 88440 68.591 -28659 7517.7 -36177 -36177 4.2289 -11.275 1.1268 8.3811e+05 2024-05-20 02:41:31,938 INFO [main.py:798]
{rank 0/64} MD step = 442300 step time: 00:00:00.342471 Performance: 37.889 ns/day 0.633 hours/ns 2.193 steps/s 2024-05-20 02:41:38,361 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 442300 88460 70.029 -28523 7675.3 -36198 -36198 4.2258 -11.273 1.1269 8.3832e+05 2024-05-20 02:42:12,250 INFO [main.py:798]
{rank 0/64} MD step = 442400 step time: 00:00:00.349729 Performance: 37.890 ns/day 0.633 hours/ns 2.193 steps/s 2024-05-20 02:42:24,889 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 442400 88480 71.358 -28197 7820.9 -36018 -36018 4.2236 -11.273 1.1266 8.3854e+05 2024-05-20 02:42:58,593 INFO [main.py:798]
{rank 0/64} MD step = 442500 step time: 00:00:00.347288 Performance: 37.890 ns/day 0.633 hours/ns 2.193 steps/s 2024-05-20 02:43:05,367 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 442500 88500 71.295 -28168 7814.1 -35982 -35982 4.222 -11.274 1.1284 8.3878e+05 2024-05-20 02:43:39,712 INFO [main.py:798]
{rank 0/64} MD step = 442600 step time: 00:00:00.352176 Performance: 37.891 ns/day 0.633 hours/ns 2.193 steps/s 2024-05-20 02:43:50,377 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 442600 88520 69.854 -28494 7656.1 -36150 -36150 4.2181 -11.277 1.13 8.3899e+05 2024-05-20 02:44:24,629 INFO [main.py:798]
{rank 0/64} MD step = 442700 step time: 00:00:00.347879 Performance: 37.891 ns/day 0.633 hours/ns 2.193 steps/s 2024-05-20 02:44:30,843 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 442700 88540 70.474 -28415 7724 -36139 -36139 4.2184 -11.279 1.1309 8.392e+05 2024-05-20 02:45:05,418 INFO [main.py:798]
{rank 0/64} MD step = 442800 step time: 00:00:00.353918 Performance: 37.892 ns/day 0.633 hours/ns 2.193 steps/s 2024-05-20 02:45:11,601 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 442800 88560 69.758 -28372 7645.5 -36017 -36017 4.217 -11.283 1.1314 8.3939e+05 2024-05-20 02:45:45,956 INFO [main.py:798]
{rank 0/64} MD step = 442900 step time: 00:00:00.342730 Performance: 37.893 ns/day 0.633 hours/ns 2.193 steps/s 2024-05-20 02:45:52,652 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 442900 88580 70.064 -28425 7679.1 -36104 -36104 4.214 -11.284 1.1311 8.3955e+05 2024-05-20 02:46:27,425 INFO [main.py:798]
{rank 0/64} MD step = 443000 step time: 00:00:00.326253 Performance: 37.893 ns/day 0.633 hours/ns 2.193 steps/s 2024-05-20 02:46:33,770 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443000 88600 69.112 -28396 7574.8 -35971 -35971 4.2123 -11.283 1.1315 8.3976e+05 2024-05-20 02:47:08,351 INFO [main.py:798]
{rank 0/64} MD step = 443100 step time: 00:00:00.337359 Performance: 37.894 ns/day 0.633 hours/ns 2.193 steps/s 2024-05-20 02:47:16,845 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443100 88620 69.773 -28437 7647.2 -36085 -36085 4.2116 -11.283 1.1327 8.3994e+05 2024-05-20 02:47:51,494 INFO [main.py:798]
{rank 0/64} MD step = 443200 step time: 00:00:00.327412 Performance: 37.895 ns/day 0.633 hours/ns 2.193 steps/s 2024-05-20 02:47:58,950 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443200 88640 69.348 -28565 7600.6 -36166 -36166 4.2091 -11.282 1.1326 8.4009e+05 2024-05-20 02:48:34,596 INFO [main.py:798]
{rank 0/64} MD step = 443300 step time: 00:00:00.325348 Performance: 37.895 ns/day 0.633 hours/ns 2.193 steps/s 2024-05-20 02:48:41,472 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443300 88660 70.828 -28291 7762.9 -36054 -36054 4.2079 -11.282 1.1333 8.4031e+05 2024-05-20 02:49:15,481 INFO [main.py:798]
{rank 0/64} MD step = 443400 step time: 00:00:00.327400 Performance: 37.896 ns/day 0.633 hours/ns 2.193 steps/s 2024-05-20 02:49:22,736 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443400 88680 70.154 -28375 7689 -36064 -36064 4.2056 -11.283 1.1334 8.4049e+05 2024-05-20 02:49:57,053 INFO [main.py:798]
{rank 0/64} MD step = 443500 step time: 00:00:00.327048 Performance: 37.897 ns/day 0.633 hours/ns 2.193 steps/s 2024-05-20 02:50:03,638 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443500 88700 70.518 -28347 7728.8 -36076 -36076 4.2041 -11.283 1.133 8.4071e+05 2024-05-20 02:50:38,217 INFO [main.py:798]
{rank 0/64} MD step = 443600 step time: 00:00:00.327186 Performance: 37.898 ns/day 0.633 hours/ns 2.193 steps/s 2024-05-20 02:50:45,679 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443600 88720 69.607 -28518 7629 -36147 -36147 4.2023 -11.287 1.1334 8.409e+05 2024-05-20 02:51:20,025 INFO [main.py:798]
{rank 0/64} MD step = 443700 step time: 00:00:00.330287 Performance: 37.898 ns/day 0.633 hours/ns 2.193 steps/s 2024-05-20 02:51:25,909 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443700 88740 68.612 -28549 7520 -36069 -36069 4.2002 -11.288 1.1333 8.4111e+05 2024-05-20 02:52:00,719 INFO [main.py:798]
{rank 0/64} MD step = 443800 step time: 00:00:00.342801 Performance: 37.899 ns/day 0.633 hours/ns 2.193 steps/s 2024-05-20 02:52:06,669 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443800 88760 70.719 -28437 7750.9 -36188 -36188 4.199 -11.291 1.1345 8.4123e+05 2024-05-20 02:52:41,992 INFO [main.py:798]
{rank 0/64} MD step = 443900 step time: 00:00:00.331198 Performance: 37.900 ns/day 0.633 hours/ns 2.193 steps/s 2024-05-20 02:52:48,743 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443900 88780 70.721 -28360 7751.2 -36111 -36111 4.1974 -11.294 1.135 8.4147e+05 2024-05-20 02:53:22,504 INFO [main.py:798]
{rank 0/64} MD step = 444000 step time: 00:00:00.330902 Performance: 37.901 ns/day 0.633 hours/ns 2.193 steps/s 2024-05-20 02:53:28,801 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444000 88800 70.058 -28349 7678.5 -36028 -36028 4.1969 -11.295 1.135 8.4169e+05 2024-05-20 02:54:03,773 INFO [main.py:798]
{rank 0/64} MD step = 444100 step time: 00:00:00.328225 Performance: 37.902 ns/day 0.633 hours/ns 2.193 steps/s 2024-05-20 02:54:09,686 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444100 88820 69.572 -28498 7625.2 -36123 -36123 4.1962 -11.296 1.1355 8.4187e+05 2024-05-20 02:54:44,134 INFO [main.py:798]
{rank 0/64} MD step = 444200 step time: 00:00:00.328961 Performance: 37.903 ns/day 0.633 hours/ns 2.193 steps/s 2024-05-20 02:54:54,977 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444200 88840 69.308 -28443 7596.2 -36040 -36040 4.1948 -11.293 1.1349 8.4206e+05 2024-05-20 02:55:29,157 INFO [main.py:798]
{rank 0/64} MD step = 444300 step time: 00:00:00.328580 Performance: 37.903 ns/day 0.633 hours/ns 2.193 steps/s 2024-05-20 02:55:36,985 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444300 88860 70.474 -28254 7724 -35978 -35978 4.1945 -11.292 1.1331 8.4225e+05 2024-05-20 02:56:12,800 INFO [main.py:798]
{rank 0/64} MD step = 444400 step time: 00:00:00.356557 Performance: 37.903 ns/day 0.633 hours/ns 2.193 steps/s 2024-05-20 02:56:18,441 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444400 88880 70.888 -28235 7769.4 -36005 -36005 4.1956 -11.29 1.1331 8.4241e+05 2024-05-20 02:56:53,667 INFO [main.py:798]
{rank 0/64} MD step = 444500 step time: 00:00:00.333710 Performance: 37.904 ns/day 0.633 hours/ns 2.194 steps/s 2024-05-20 02:56:59,620 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444500 88900 69.682 -28286 7637.2 -35923 -35923 4.1939 -11.288 1.1332 8.4262e+05 2024-05-20 02:57:34,918 INFO [main.py:798]
{rank 0/64} MD step = 444600 step time: 00:00:00.341494 Performance: 37.905 ns/day 0.633 hours/ns 2.194 steps/s 2024-05-20 02:57:42,329 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444600 88920 70.174 -28275 7691.1 -35966 -35966 4.1918 -11.286 1.1327 8.4282e+05 2024-05-20 02:58:16,562 INFO [main.py:798]
{rank 0/64} MD step = 444700 step time: 00:00:00.326494 Performance: 37.906 ns/day 0.633 hours/ns 2.194 steps/s 2024-05-20 02:58:22,848 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444700 88940 71.808 -28188 7870.2 -36059 -36059 4.19 -11.284 1.1307 8.4301e+05 2024-05-20 02:58:57,211 INFO [main.py:798]
{rank 0/64} MD step = 444800 step time: 00:00:00.326583 Performance: 37.907 ns/day 0.633 hours/ns 2.194 steps/s 2024-05-20 02:59:03,890 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444800 88960 70.183 -28347 7692.1 -36039 -36039 4.1884 -11.281 1.1305 8.4318e+05 2024-05-20 02:59:39,264 INFO [main.py:798]
{rank 0/64} MD step = 444900 step time: 00:00:00.329123 Performance: 37.907 ns/day 0.633 hours/ns 2.194 steps/s 2024-05-20 02:59:47,259 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444900 88980 70.585 -28253 7736.2 -35989 -35989 4.1878 -11.28 1.1293 8.4341e+05 2024-05-20 03:00:23,954 INFO [main.py:798]
{rank 0/64} MD step = 445000 step time: 00:00:00.327011 Performance: 37.907 ns/day 0.633 hours/ns 2.194 steps/s 2024-05-20 03:00:29,817 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 445000 89000 69.946 -28491 7666.2 -36157 -36157 4.1869 -11.279 1.1285 8.4355e+05 2024-05-20 03:01:04,504 INFO [main.py:798]
{rank 0/64} MD step = 445100 step time: 00:00:00.334102 Performance: 37.908 ns/day 0.633 hours/ns 2.194 steps/s 2024-05-20 03:01:11,204 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 445100 89020 71.118 -28333 7794.6 -36128 -36128 4.1862 -11.279 1.1285 8.4373e+05 2024-05-20 03:01:45,647 INFO [main.py:798]
{rank 0/64} MD step = 445200 step time: 00:00:00.333897 Performance: 37.909 ns/day 0.633 hours/ns 2.194 steps/s 2024-05-20 03:01:54,158 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 445200 89040 70.277 -28412 7702.4 -36114 -36114 4.1841 -11.276 1.1275 8.4393e+05 2024-05-20 03:02:27,939 INFO [main.py:798]
{rank 0/64} MD step = 445300 step time: 00:00:00.341889 Performance: 37.910 ns/day 0.633 hours/ns 2.194 steps/s 2024-05-20 03:02:33,661 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 445300 89060 70.457 -28436 7722.1 -36158 -36158 4.1832 -11.275 1.1271 8.4411e+05 2024-05-20 03:03:10,027 INFO [main.py:798]
{rank 0/64} MD step = 445400 step time: 00:00:00.354450 Performance: 37.910 ns/day 0.633 hours/ns 2.194 steps/s 2024-05-20 03:03:19,873 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 445400 89080 70.896 -28286 7770.3 -36056 -36056 4.1829 -11.273 1.1262 8.4432e+05 2024-05-20 03:03:54,538 INFO [main.py:798]
{rank 0/64} MD step = 445500 step time: 00:00:00.326137 Performance: 37.911 ns/day 0.633 hours/ns 2.194 steps/s 2024-05-20 03:04:02,351 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 445500 89100 69.376 -28363 7603.6 -35966 -35966 4.1815 -11.272 1.1267 8.4453e+05 2024-05-20 03:04:36,201 INFO [main.py:798]
{rank 0/64} MD step = 445600 step time: 00:00:00.349681 Performance: 37.911 ns/day 0.633 hours/ns 2.194 steps/s 2024-05-20 03:04:45,147 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 445600 89120 70.27 -28353 7701.7 -36055 -36055 4.1814 -11.271 1.1274 8.4472e+05 2024-05-20 03:05:19,016 INFO [main.py:798]
{rank 0/64} MD step = 445700 step time: 00:00:00.349847 Performance: 37.912 ns/day 0.633 hours/ns 2.194 steps/s 2024-05-20 03:05:27,979 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 445700 89140 69.729 -28302 7642.4 -35944 -35944 4.1798 -11.272 1.1269 8.4491e+05 2024-05-20 03:06:02,921 INFO [main.py:798]
{rank 0/64} MD step = 445800 step time: 00:00:00.352100 Performance: 37.912 ns/day 0.633 hours/ns 2.194 steps/s 2024-05-20 03:06:09,981 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 445800 89160 68.724 -28594 7532.2 -36127 -36127 4.1802 -11.272 1.1276 8.4506e+05 2024-05-20 03:06:44,395 INFO [main.py:798]
{rank 0/64} MD step = 445900 step time: 00:00:00.344492 Performance: 37.913 ns/day 0.633 hours/ns 2.194 steps/s 2024-05-20 03:06:51,988 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 445900 89180 71.568 -28046 7843.9 -35890 -35890 4.1795 -11.271 1.1278 8.4531e+05 2024-05-20 03:07:26,316 INFO [main.py:798]
{rank 0/64} MD step = 446000 step time: 00:00:00.352186 Performance: 37.914 ns/day 0.633 hours/ns 2.194 steps/s 2024-05-20 03:07:31,466 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446000 89200 69.685 -28300 7637.6 -35938 -35938 4.1794 -11.269 1.1269 8.4545e+05 2024-05-20 03:08:05,927 INFO [main.py:798]
{rank 0/64} MD step = 446100 step time: 00:00:00.351158 Performance: 37.915 ns/day 0.633 hours/ns 2.194 steps/s 2024-05-20 03:08:12,226 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446100 89220 69.98 -28414 7669.8 -36084 -36084 4.1794 -11.268 1.1263 8.456e+05 2024-05-20 03:08:46,934 INFO [main.py:798]
{rank 0/64} MD step = 446200 step time: 00:00:00.356502 Performance: 37.916 ns/day 0.633 hours/ns 2.194 steps/s 2024-05-20 03:08:52,510 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446200 89240 69.91 -28459 7662.2 -36122 -36122 4.1774 -11.267 1.1248 8.4582e+05 2024-05-20 03:09:26,153 INFO [main.py:798]
{rank 0/64} MD step = 446300 step time: 00:00:00.343341 Performance: 37.917 ns/day 0.633 hours/ns 2.194 steps/s 2024-05-20 03:09:33,678 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446300 89260 70.07 -28452 7679.7 -36132 -36132 4.1781 -11.266 1.1232 8.4605e+05 2024-05-20 03:10:08,726 INFO [main.py:798]
{rank 0/64} MD step = 446400 step time: 00:00:00.373532 Performance: 37.917 ns/day 0.633 hours/ns 2.194 steps/s 2024-05-20 03:10:15,027 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446400 89280 70.468 -28411 7723.4 -36134 -36134 4.1761 -11.265 1.1232 8.4623e+05 2024-05-20 03:10:49,015 INFO [main.py:798]
{rank 0/64} MD step = 446500 step time: 00:00:00.334000 Performance: 37.918 ns/day 0.633 hours/ns 2.194 steps/s 2024-05-20 03:10:54,201 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446500 89300 69.791 -28357 7649.2 -36006 -36006 4.1751 -11.264 1.1225 8.4643e+05 2024-05-20 03:11:28,460 INFO [main.py:798]
{rank 0/64} MD step = 446600 step time: 00:00:00.349706 Performance: 37.919 ns/day 0.633 hours/ns 2.194 steps/s 2024-05-20 03:11:33,698 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446600 89320 69.303 -28439 7595.7 -36035 -36035 4.1758 -11.264 1.1212 8.4665e+05 2024-05-20 03:12:08,606 INFO [main.py:798]
{rank 0/64} MD step = 446700 step time: 00:00:00.364602 Performance: 37.920 ns/day 0.633 hours/ns 2.194 steps/s 2024-05-20 03:12:17,450 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446700 89340 69.744 -28321 7644 -35965 -35965 4.1741 -11.262 1.1213 8.4685e+05 2024-05-20 03:12:51,738 INFO [main.py:798]
{rank 0/64} MD step = 446800 step time: 00:00:00.349237 Performance: 37.921 ns/day 0.633 hours/ns 2.194 steps/s 2024-05-20 03:12:57,334 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446800 89360 69.96 -28378 7667.7 -36045 -36045 4.1739 -11.259 1.1209 8.4704e+05 2024-05-20 03:13:31,782 INFO [main.py:798]
{rank 0/64} MD step = 446900 step time: 00:00:00.353880 Performance: 37.922 ns/day 0.633 hours/ns 2.195 steps/s 2024-05-20 03:13:37,729 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446900 89380 70.313 -28126 7706.4 -35832 -35832 4.1739 -11.256 1.1218 8.4728e+05 2024-05-20 03:14:13,477 INFO [main.py:798]
{rank 0/64} MD step = 447000 step time: 00:00:00.369099 Performance: 37.923 ns/day 0.633 hours/ns 2.195 steps/s 2024-05-20 03:14:19,357 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447000 89400 69.447 -28171 7611.5 -35783 -35783 4.174 -11.257 1.1218 8.4746e+05 2024-05-20 03:14:53,385 INFO [main.py:798]
{rank 0/64} MD step = 447100 step time: 00:00:00.348744 Performance: 37.924 ns/day 0.633 hours/ns 2.195 steps/s 2024-05-20 03:14:59,051 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447100 89420 70.079 -28305 7680.7 -35986 -35986 4.1737 -11.256 1.12 8.4763e+05 2024-05-20 03:15:32,984 INFO [main.py:798]
{rank 0/64} MD step = 447200 step time: 00:00:00.351226 Performance: 37.925 ns/day 0.633 hours/ns 2.195 steps/s 2024-05-20 03:15:39,411 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447200 89440 69.688 -28220 7637.8 -35858 -35858 4.173 -11.255 1.1187 8.4781e+05 2024-05-20 03:16:13,603 INFO [main.py:798]
{rank 0/64} MD step = 447300 step time: 00:00:00.352243 Performance: 37.926 ns/day 0.633 hours/ns 2.195 steps/s 2024-05-20 03:16:22,168 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447300 89460 70.474 -28188 7724 -35912 -35912 4.1716 -11.253 1.1182 8.4798e+05 2024-05-20 03:16:56,371 INFO [main.py:798]
{rank 0/64} MD step = 447400 step time: 00:00:00.335101 Performance: 37.926 ns/day 0.633 hours/ns 2.195 steps/s 2024-05-20 03:17:02,379 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447400 89480 69.317 -28219 7597.2 -35817 -35817 4.171 -11.25 1.1185 8.4819e+05 2024-05-20 03:17:36,777 INFO [main.py:798]
{rank 0/64} MD step = 447500 step time: 00:00:00.338215 Performance: 37.927 ns/day 0.633 hours/ns 2.195 steps/s 2024-05-20 03:17:42,902 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447500 89500 69.935 -28168 7664.9 -35833 -35833 4.1699 -11.249 1.1181 8.4839e+05 2024-05-20 03:18:17,546 INFO [main.py:798]
{rank 0/64} MD step = 447600 step time: 00:00:00.354201 Performance: 37.928 ns/day 0.633 hours/ns 2.195 steps/s 2024-05-20 03:18:23,288 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447600 89520 70.087 -28274 7681.6 -35956 -35956 4.1703 -11.248 1.1182 8.4853e+05 2024-05-20 03:18:56,200 INFO [main.py:798]
{rank 0/64} MD step = 447700 step time: 00:00:00.326309 Performance: 37.929 ns/day 0.633 hours/ns 2.195 steps/s 2024-05-20 03:19:02,005 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447700 89540 69.935 -28267 7664.9 -35932 -35932 4.1697 -11.247 1.1186 8.4874e+05 2024-05-20 03:19:36,228 INFO [main.py:798]
{rank 0/64} MD step = 447800 step time: 00:00:00.330731 Performance: 37.930 ns/day 0.633 hours/ns 2.195 steps/s 2024-05-20 03:19:42,004 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447800 89560 70.614 -28229 7739.4 -35968 -35968 4.1699 -11.248 1.1178 8.4894e+05 2024-05-20 03:20:16,914 INFO [main.py:798]
{rank 0/64} MD step = 447900 step time: 00:00:00.350571 Performance: 37.931 ns/day 0.633 hours/ns 2.195 steps/s 2024-05-20 03:20:24,065 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447900 89580 70.905 -28161 7771.3 -35933 -35933 4.1694 -11.247 1.1175 8.4917e+05 2024-05-20 03:20:58,689 INFO [main.py:798]
{rank 0/64} MD step = 448000 step time: 00:00:00.330807 Performance: 37.932 ns/day 0.633 hours/ns 2.195 steps/s 2024-05-20 03:21:03,966 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 448000 89600 69.333 -28293 7599 -35892 -35892 4.1691 -11.247 1.117 8.4933e+05 2024-05-20 03:21:38,670 INFO [main.py:798]
{rank 0/64} MD step = 448100 step time: 00:00:00.353987 Performance: 37.933 ns/day 0.633 hours/ns 2.195 steps/s 2024-05-20 03:21:46,348 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 448100 89620 69.625 -28367 7631 -35998 -35998 4.1677 -11.247 1.1169 8.4953e+05 2024-05-20 03:22:22,453 INFO [main.py:798]
{rank 0/64} MD step = 448200 step time: 00:00:00.325943 Performance: 37.933 ns/day 0.633 hours/ns 2.195 steps/s 2024-05-20 03:22:28,839 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 448200 89640 71.28 -28227 7812.4 -36039 -36039 4.167 -11.246 1.1154 8.4971e+05 2024-05-20 03:23:03,484 INFO [main.py:798]
{rank 0/64} MD step = 448300 step time: 00:00:00.387134 Performance: 37.934 ns/day 0.633 hours/ns 2.195 steps/s 2024-05-20 03:23:08,111 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 448300 89660 69.702 -28273 7639.4 -35913 -35913 4.1654 -11.245 1.1143 8.4989e+05 2024-05-20 03:23:44,248 INFO [main.py:798]
{rank 0/64} MD step = 448400 step time: 00:00:00.350531 Performance: 37.935 ns/day 0.633 hours/ns 2.195 steps/s 2024-05-20 03:23:57,085 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 448400 89680 69.705 -28243 7639.8 -35883 -35883 4.1647 -11.245 1.1147 8.5009e+05 2024-05-20 03:24:33,275 INFO [main.py:798]
{rank 0/64} MD step = 448500 step time: 00:00:00.328184 Performance: 37.935 ns/day 0.633 hours/ns 2.195 steps/s 2024-05-20 03:24:43,461 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 448500 89700 69.512 -28358 7618.6 -35977 -35977 4.1629 -11.246 1.1136 8.5028e+05 2024-05-20 03:25:17,740 INFO [main.py:798]
{rank 0/64} MD step = 448600 step time: 00:00:00.347233 Performance: 37.935 ns/day 0.633 hours/ns 2.195 steps/s 2024-05-20 03:25:24,227 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 448600 89720 70.646 -28191 7742.9 -35934 -35934 4.1622 -11.246 1.1126 8.5044e+05 2024-05-20 03:25:58,454 INFO [main.py:798]
{rank 0/64} MD step = 448700 step time: 00:00:00.344445 Performance: 37.936 ns/day 0.633 hours/ns 2.195 steps/s 2024-05-20 03:26:05,374 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 448700 89740 70.285 -28345 7703.3 -36049 -36049 4.1619 -11.245 1.1118 8.5061e+05 2024-05-20 03:26:40,094 INFO [main.py:798]
{rank 0/64} MD step = 448800 step time: 00:00:00.367206 Performance: 37.936 ns/day 0.633 hours/ns 2.195 steps/s 2024-05-20 03:26:48,114 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 448800 89760 68.735 -28383 7533.5 -35917 -35917 4.1596 -11.243 1.1118 8.5085e+05 2024-05-20 03:27:22,405 INFO [main.py:798]
{rank 0/64} MD step = 448900 step time: 00:00:00.351641 Performance: 37.937 ns/day 0.633 hours/ns 2.195 steps/s 2024-05-20 03:27:28,512 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 448900 89780 70.455 -28431 7721.9 -36153 -36153 4.1577 -11.24 1.1111 8.5098e+05 2024-05-20 03:28:05,160 INFO [main.py:798]
{rank 0/64} MD step = 449000 step time: 00:00:00.339485 Performance: 37.937 ns/day 0.633 hours/ns 2.195 steps/s 2024-05-20 03:28:10,312 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 449000 89800 70.07 -28430 7679.8 -36110 -36110 4.1563 -11.238 1.1101 8.512e+05 2024-05-20 03:28:44,815 INFO [main.py:798]
{rank 0/64} MD step = 449100 step time: 00:00:00.366888 Performance: 37.939 ns/day 0.633 hours/ns 2.196 steps/s 2024-05-20 03:28:50,586 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 449100 89820 69.597 -28571 7627.9 -36199 -36199 4.1549 -11.238 1.1099 8.514e+05 2024-05-20 03:29:25,073 INFO [main.py:798]
{rank 0/64} MD step = 449200 step time: 00:00:00.349608 Performance: 37.940 ns/day 0.633 hours/ns 2.196 steps/s 2024-05-20 03:29:30,711 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 449200 89840 69.906 -28469 7661.8 -36131 -36131 4.1539 -11.234 1.1088 8.516e+05 2024-05-20 03:30:05,272 INFO [main.py:798]
{rank 0/64} MD step = 449300 step time: 00:00:00.342327 Performance: 37.941 ns/day 0.633 hours/ns 2.196 steps/s 2024-05-20 03:30:12,669 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 449300 89860 69.853 -28528 7656 -36184 -36184 4.153 -11.231 1.1066 8.5176e+05 2024-05-20 03:30:46,642 INFO [main.py:798]
{rank 0/64} MD step = 449400 step time: 00:00:00.334569 Performance: 37.941 ns/day 0.633 hours/ns 2.196 steps/s 2024-05-20 03:30:53,598 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 449400 89880 70.161 -28352 7689.7 -36041 -36041 4.1524 -11.23 1.106 8.5195e+05 2024-05-20 03:31:28,817 INFO [main.py:798]
{rank 0/64} MD step = 449500 step time: 00:00:00.333935 Performance: 37.942 ns/day 0.633 hours/ns 2.196 steps/s 2024-05-20 03:31:36,293 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 449500 89900 69.814 -28402 7651.7 -36054 -36054 4.1542 -11.229 1.1057 8.5215e+05 2024-05-20 03:32:11,137 INFO [main.py:798]
{rank 0/64} MD step = 449600 step time: 00:00:00.335466 Performance: 37.943 ns/day 0.633 hours/ns 2.196 steps/s 2024-05-20 03:32:18,770 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 449600 89920 70.389 -28481 7714.7 -36196 -36196 4.1526 -11.227 1.1047 8.523e+05 2024-05-20 03:32:53,666 INFO [main.py:798]
{rank 0/64} MD step = 449700 step time: 00:00:00.356614 Performance: 37.943 ns/day 0.633 hours/ns 2.196 steps/s 2024-05-20 03:32:58,445 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 449700 89940 70.032 -28520 7675.6 -36195 -36195 4.1516 -11.226 1.1047 8.525e+05 2024-05-20 03:33:35,461 INFO [main.py:798]
{rank 0/64} MD step = 449800 step time: 00:00:00.339601 Performance: 37.944 ns/day 0.633 hours/ns 2.196 steps/s 2024-05-20 03:33:42,479 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 449800 89960 69.855 -28582 7656.2 -36238 -36238 4.1507 -11.222 1.1052 8.5269e+05 2024-05-20 03:34:16,847 INFO [main.py:798]
{rank 0/64} MD step = 449900 step time: 00:00:00.343419 Performance: 37.945 ns/day 0.633 hours/ns 2.196 steps/s 2024-05-20 03:34:23,379 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 449900 89980 68.638 -28512 7522.8 -36035 -36035 4.1499 -11.22 1.1052 8.5292e+05 2024-05-20 03:34:57,877 INFO [main.py:798]
{rank 0/64} MD step = 450000 step time: 00:00:00.352020 Performance: 37.945 ns/day 0.632 hours/ns 2.196 steps/s 2024-05-20 03:35:06,205 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450000 90000 69.44 -28513 7610.7 -36124 -36124 4.1487 -11.218 1.1046 8.531e+05 2024-05-20 03:35:41,410 INFO [main.py:798]
{rank 0/64} MD step = 450100 step time: 00:00:00.335773 Performance: 37.946 ns/day 0.632 hours/ns 2.196 steps/s 2024-05-20 03:35:52,081 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450100 90020 70.727 -28485 7751.8 -36237 -36237 4.1477 -11.217 1.1037 8.5326e+05 2024-05-20 03:36:26,053 INFO [main.py:798]
{rank 0/64} MD step = 450200 step time: 00:00:00.349830 Performance: 37.946 ns/day 0.632 hours/ns 2.196 steps/s 2024-05-20 03:36:32,131 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450200 90040 70.254 -28380 7699.9 -36080 -36080 4.1458 -11.213 1.1036 8.5345e+05 2024-05-20 03:37:05,745 INFO [main.py:798]
{rank 0/64} MD step = 450300 step time: 00:00:00.326007 Performance: 37.947 ns/day 0.632 hours/ns 2.196 steps/s 2024-05-20 03:37:46,016 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450300 90060 68.685 -28518 7527.9 -36046 -36046 4.1454 -11.214 1.1021 8.5365e+05 2024-05-20 03:38:19,519 INFO [main.py:798]
{rank 0/64} MD step = 450400 step time: 00:00:00.353159 Performance: 37.942 ns/day 0.633 hours/ns 2.196 steps/s 2024-05-20 03:38:30,428 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450400 90080 69.639 -28411 7632.5 -36044 -36044 4.1443 -11.214 1.1014 8.5384e+05 2024-05-20 03:39:04,891 INFO [main.py:798]
{rank 0/64} MD step = 450500 step time: 00:00:00.363103 Performance: 37.942 ns/day 0.633 hours/ns 2.196 steps/s 2024-05-20 03:39:13,102 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450500 90100 69.64 -28476 7632.6 -36109 -36109 4.1434 -11.212 1.1009 8.5403e+05 2024-05-20 03:39:46,844 INFO [main.py:798]
{rank 0/64} MD step = 450600 step time: 00:00:00.353231 Performance: 37.942 ns/day 0.633 hours/ns 2.196 steps/s 2024-05-20 03:39:52,885 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450600 90120 70.816 -28265 7761.5 -36027 -36027 4.1439 -11.211 1.0991 8.5424e+05 2024-05-20 03:40:27,373 INFO [main.py:798]
{rank 0/64} MD step = 450700 step time: 00:00:00.338903 Performance: 37.943 ns/day 0.633 hours/ns 2.196 steps/s 2024-05-20 03:40:34,400 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450700 90140 69.142 -28431 7578 -36009 -36009 4.144 -11.209 1.099 8.5443e+05 2024-05-20 03:41:08,723 INFO [main.py:798]
{rank 0/64} MD step = 450800 step time: 00:00:00.346347 Performance: 37.944 ns/day 0.633 hours/ns 2.196 steps/s 2024-05-20 03:41:16,195 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450800 90160 70.225 -28436 7696.7 -36133 -36133 4.1427 -11.209 1.1002 8.5465e+05 2024-05-20 03:41:50,295 INFO [main.py:798]
{rank 0/64} MD step = 450900 step time: 00:00:00.339340 Performance: 37.945 ns/day 0.632 hours/ns 2.196 steps/s 2024-05-20 03:41:56,187 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450900 90180 70.58 -28377 7735.6 -36113 -36113 4.1418 -11.207 1.1009 8.5483e+05 2024-05-20 03:42:30,143 INFO [main.py:798]
{rank 0/64} MD step = 451000 step time: 00:00:00.353282 Performance: 37.946 ns/day 0.632 hours/ns 2.196 steps/s 2024-05-20 03:42:37,508 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 451000 90200 69.834 -28607 7653.9 -36261 -36261 4.1389 -11.206 1.1002 8.5499e+05 2024-05-20 03:43:12,848 INFO [main.py:798]
{rank 0/64} MD step = 451100 step time: 00:00:00.352891 Performance: 37.946 ns/day 0.632 hours/ns 2.196 steps/s 2024-05-20 03:43:18,158 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 451100 90220 69.775 -28481 7647.5 -36128 -36128 4.1375 -11.205 1.1005 8.5518e+05 2024-05-20 03:43:52,654 INFO [main.py:798]
{rank 0/64} MD step = 451200 step time: 00:00:00.344014 Performance: 37.948 ns/day 0.632 hours/ns 2.196 steps/s 2024-05-20 03:44:04,512 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 451200 90240 69.991 -28359 7671.1 -36030 -36030 4.1371 -11.205 1.1012 8.5537e+05 2024-05-20 03:44:38,463 INFO [main.py:798]
{rank 0/64} MD step = 451300 step time: 00:00:00.340398 Performance: 37.947 ns/day 0.632 hours/ns 2.196 steps/s 2024-05-20 03:44:43,850 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 451300 90260 70.578 -28448 7735.5 -36183 -36183 4.135 -11.205 1.1018 8.5557e+05 2024-05-20 03:45:19,650 INFO [main.py:798]
{rank 0/64} MD step = 451400 step time: 00:00:00.348464 Performance: 37.948 ns/day 0.632 hours/ns 2.196 steps/s 2024-05-20 03:45:25,185 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 451400 90280 71.353 -28341 7820.4 -36162 -36162 4.1332 -11.205 1.102 8.5573e+05 2024-05-20 03:45:59,028 INFO [main.py:798]
{rank 0/64} MD step = 451500 step time: 00:00:00.344269 Performance: 37.949 ns/day 0.632 hours/ns 2.196 steps/s 2024-05-20 03:46:05,318 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 451500 90300 69.472 -28540 7614.3 -36155 -36155 4.1333 -11.204 1.1022 8.5594e+05 2024-05-20 03:46:39,396 INFO [main.py:798]
{rank 0/64} MD step = 451600 step time: 00:00:00.341209 Performance: 37.950 ns/day 0.632 hours/ns 2.196 steps/s 2024-05-20 03:46:46,297 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 451600 90320 68.754 -28669 7535.5 -36205 -36205 4.1323 -11.202 1.1037 8.5608e+05 2024-05-20 03:47:21,105 INFO [main.py:798]
{rank 0/64} MD step = 451700 step time: 00:00:00.359133 Performance: 37.951 ns/day 0.632 hours/ns 2.196 steps/s 2024-05-20 03:47:28,102 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 451700 90340 68.622 -28520 7521.1 -36041 -36041 4.1313 -11.201 1.1035 8.5632e+05 2024-05-20 03:48:02,685 INFO [main.py:798]
{rank 0/64} MD step = 451800 step time: 00:00:00.352540 Performance: 37.952 ns/day 0.632 hours/ns 2.196 steps/s 2024-05-20 03:48:08,544 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 451800 90360 69.974 -28334 7669.3 -36004 -36004 4.1304 -11.199 1.1025 8.5655e+05 2024-05-20 03:48:42,994 INFO [main.py:798]
{rank 0/64} MD step = 451900 step time: 00:00:00.367651 Performance: 37.953 ns/day 0.632 hours/ns 2.196 steps/s 2024-05-20 03:48:50,709 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 451900 90380 70.13 -28388 7686.3 -36074 -36074 4.1298 -11.198 1.1017 8.5674e+05 2024-05-20 03:49:24,578 INFO [main.py:798]
{rank 0/64} MD step = 452000 step time: 00:00:00.342886 Performance: 37.954 ns/day 0.632 hours/ns 2.196 steps/s 2024-05-20 03:49:31,442 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 452000 90400 70.209 -28495 7695 -36190 -36190 4.1281 -11.197 1.1008 8.5693e+05 2024-05-20 03:50:06,566 INFO [main.py:798]
{rank 0/64} MD step = 452100 step time: 00:00:00.354919 Performance: 37.954 ns/day 0.632 hours/ns 2.196 steps/s 2024-05-20 03:50:12,554 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 452100 90420 70.052 -28448 7677.8 -36126 -36126 4.1282 -11.195 1.101 8.571e+05 2024-05-20 03:50:46,818 INFO [main.py:798]
{rank 0/64} MD step = 452200 step time: 00:00:00.337844 Performance: 37.955 ns/day 0.632 hours/ns 2.196 steps/s 2024-05-20 03:50:54,479 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 452200 90440 69.761 -28467 7645.9 -36113 -36113 4.1288 -11.194 1.1008 8.5723e+05 2024-05-20 03:51:29,492 INFO [main.py:798]
{rank 0/64} MD step = 452300 step time: 00:00:00.346114 Performance: 37.956 ns/day 0.632 hours/ns 2.197 steps/s 2024-05-20 03:51:36,729 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 452300 90460 69.604 -28509 7628.7 -36138 -36138 4.128 -11.195 1.101 8.5742e+05 2024-05-20 03:52:11,114 INFO [main.py:798]
{rank 0/64} MD step = 452400 step time: 00:00:00.351932 Performance: 37.956 ns/day 0.632 hours/ns 2.197 steps/s 2024-05-20 03:52:16,985 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 452400 90480 69.604 -28523 7628.6 -36152 -36152 4.1271 -11.192 1.1017 8.5765e+05 2024-05-20 03:52:50,656 INFO [main.py:798]
{rank 0/64} MD step = 452500 step time: 00:00:00.328058 Performance: 37.957 ns/day 0.632 hours/ns 2.197 steps/s 2024-05-20 03:52:56,738 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 452500 90500 69.212 -28493 7585.7 -36079 -36079 4.1235 -11.193 1.1026 8.5782e+05 2024-05-20 03:53:31,632 INFO [main.py:798]
{rank 0/64} MD step = 452600 step time: 00:00:00.356017 Performance: 37.958 ns/day 0.632 hours/ns 2.197 steps/s 2024-05-20 03:53:37,012 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 452600 90520 69.759 -28284 7645.7 -35929 -35929 4.1225 -11.19 1.1022 8.5803e+05 2024-05-20 03:54:12,745 INFO [main.py:798]
{rank 0/64} MD step = 452700 step time: 00:00:00.356914 Performance: 37.959 ns/day 0.632 hours/ns 2.197 steps/s 2024-05-20 03:54:20,133 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 452700 90540 69.706 -28405 7639.9 -36045 -36045 4.1219 -11.191 1.1027 8.582e+05 2024-05-20 03:54:55,031 INFO [main.py:798]
{rank 0/64} MD step = 452800 step time: 00:00:00.350223 Performance: 37.960 ns/day 0.632 hours/ns 2.197 steps/s 2024-05-20 03:55:02,916 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 452800 90560 70.682 -28314 7746.9 -36061 -36061 4.1211 -11.188 1.1028 8.5837e+05 2024-05-20 03:55:37,778 INFO [main.py:798]
{rank 0/64} MD step = 452900 step time: 00:00:00.330629 Performance: 37.960 ns/day 0.632 hours/ns 2.197 steps/s 2024-05-20 03:55:45,595 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 452900 90580 70.586 -28365 7736.4 -36101 -36101 4.1198 -11.187 1.1044 8.5851e+05 2024-05-20 03:56:20,294 INFO [main.py:798]
{rank 0/64} MD step = 453000 step time: 00:00:00.326187 Performance: 37.961 ns/day 0.632 hours/ns 2.197 steps/s 2024-05-20 03:56:25,269 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453000 90600 69.812 -28324 7651.5 -35976 -35976 4.1196 -11.186 1.105 8.587e+05 2024-05-20 03:57:00,826 INFO [main.py:798]
{rank 0/64} MD step = 453100 step time: 00:00:00.326236 Performance: 37.962 ns/day 0.632 hours/ns 2.197 steps/s 2024-05-20 03:57:07,388 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453100 90620 70.136 -28340 7687 -36027 -36027 4.1177 -11.184 1.1058 8.5892e+05 2024-05-20 03:57:42,054 INFO [main.py:798]
{rank 0/64} MD step = 453200 step time: 00:00:00.326937 Performance: 37.962 ns/day 0.632 hours/ns 2.197 steps/s 2024-05-20 03:57:49,066 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453200 90640 68.918 -28458 7553.5 -36011 -36011 4.117 -11.183 1.1061 8.591e+05 2024-05-20 03:58:22,955 INFO [main.py:798]
{rank 0/64} MD step = 453300 step time: 00:00:00.325481 Performance: 37.963 ns/day 0.632 hours/ns 2.197 steps/s 2024-05-20 03:58:28,408 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453300 90660 69.074 -28491 7570.6 -36062 -36062 4.1159 -11.182 1.1054 8.5929e+05 2024-05-20 03:59:02,586 INFO [main.py:798]
{rank 0/64} MD step = 453400 step time: 00:00:00.329028 Performance: 37.964 ns/day 0.632 hours/ns 2.197 steps/s 2024-05-20 03:59:08,592 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453400 90680 71.24 -28133 7808 -35941 -35941 4.1133 -11.18 1.1067 8.5949e+05 2024-05-20 03:59:42,854 INFO [main.py:798]
{rank 0/64} MD step = 453500 step time: 00:00:00.325166 Performance: 37.965 ns/day 0.632 hours/ns 2.197 steps/s 2024-05-20 03:59:48,227 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453500 90700 69.631 -28282 7631.6 -35914 -35914 4.1124 -11.177 1.1073 8.5969e+05 2024-05-20 04:00:23,299 INFO [main.py:798]
{rank 0/64} MD step = 453600 step time: 00:00:00.329270 Performance: 37.966 ns/day 0.632 hours/ns 2.197 steps/s 2024-05-20 04:00:28,673 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453600 90720 70.371 -28302 7712.8 -36015 -36015 4.1135 -11.175 1.1072 8.5985e+05 2024-05-20 04:01:03,513 INFO [main.py:798]
{rank 0/64} MD step = 453700 step time: 00:00:00.325513 Performance: 37.967 ns/day 0.632 hours/ns 2.197 steps/s 2024-05-20 04:01:09,524 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453700 90740 69.45 -28394 7611.8 -36006 -36006 4.1127 -11.173 1.1063 8.6005e+05 2024-05-20 04:01:43,964 INFO [main.py:798]
{rank 0/64} MD step = 453800 step time: 00:00:00.327071 Performance: 37.968 ns/day 0.632 hours/ns 2.197 steps/s 2024-05-20 04:01:50,471 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453800 90760 70.015 -28342 7673.7 -36015 -36015 4.1155 -11.173 1.1064 8.6024e+05 2024-05-20 04:02:24,747 INFO [main.py:798]
{rank 0/64} MD step = 453900 step time: 00:00:00.334852 Performance: 37.969 ns/day 0.632 hours/ns 2.197 steps/s 2024-05-20 04:02:30,142 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453900 90780 69.384 -28697 7604.6 -36302 -36302 4.1147 -11.171 1.1069 8.6039e+05 2024-05-20 04:03:04,623 INFO [main.py:798]
{rank 0/64} MD step = 454000 step time: 00:00:00.326690 Performance: 37.970 ns/day 0.632 hours/ns 2.197 steps/s 2024-05-20 04:03:10,874 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 454000 90800 70.218 -28395 7696 -36091 -36091 4.1138 -11.171 1.107 8.6059e+05 2024-05-20 04:03:44,779 INFO [main.py:798]
{rank 0/64} MD step = 454100 step time: 00:00:00.348550 Performance: 37.971 ns/day 0.632 hours/ns 2.197 steps/s 2024-05-20 04:03:51,392 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 454100 90820 69.602 -28470 7628.4 -36099 -36099 4.1141 -11.171 1.107 8.6073e+05 2024-05-20 04:04:26,963 INFO [main.py:798]
{rank 0/64} MD step = 454200 step time: 00:00:00.367762 Performance: 37.972 ns/day 0.632 hours/ns 2.197 steps/s 2024-05-20 04:04:32,698 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 454200 90840 70.67 -28143 7745.6 -35888 -35888 4.1143 -11.173 1.1067 8.6094e+05 2024-05-20 04:05:06,535 INFO [main.py:798]
{rank 0/64} MD step = 454300 step time: 00:00:00.339861 Performance: 37.973 ns/day 0.632 hours/ns 2.198 steps/s 2024-05-20 04:05:13,169 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 454300 90860 70.163 -28295 7690 -35985 -35985 4.1137 -11.171 1.1055 8.6113e+05 2024-05-20 04:05:47,080 INFO [main.py:798]
{rank 0/64} MD step = 454400 step time: 00:00:00.348126 Performance: 37.974 ns/day 0.632 hours/ns 2.198 steps/s 2024-05-20 04:05:52,439 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 454400 90880 70.086 -28384 7681.6 -36065 -36065 4.114 -11.171 1.1035 8.6131e+05 2024-05-20 04:06:28,059 INFO [main.py:798]
{rank 0/64} MD step = 454500 step time: 00:00:00.370389 Performance: 37.975 ns/day 0.632 hours/ns 2.198 steps/s 2024-05-20 04:06:35,839 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 454500 90900 70.949 -28283 7776.1 -36059 -36059 4.1133 -11.17 1.1038 8.6147e+05 2024-05-20 04:07:09,484 INFO [main.py:798]
{rank 0/64} MD step = 454600 step time: 00:00:00.344816 Performance: 37.975 ns/day 0.632 hours/ns 2.198 steps/s 2024-05-20 04:07:15,670 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 454600 90920 70.727 -28201 7751.8 -35953 -35953 4.1124 -11.171 1.1046 8.6167e+05 2024-05-20 04:07:50,331 INFO [main.py:798]
{rank 0/64} MD step = 454700 step time: 00:00:00.347753 Performance: 37.976 ns/day 0.632 hours/ns 2.198 steps/s 2024-05-20 04:07:54,888 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 454700 90940 69.055 -28540 7568.5 -36109 -36109 4.1111 -11.17 1.1037 8.6184e+05 2024-05-20 04:08:30,073 INFO [main.py:798]
{rank 0/64} MD step = 454800 step time: 00:00:00.335021 Performance: 37.977 ns/day 0.632 hours/ns 2.198 steps/s 2024-05-20 04:08:36,125 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 454800 90960 70.947 -28307 7775.8 -36082 -36082 4.1106 -11.171 1.1028 8.6205e+05 2024-05-20 04:09:10,062 INFO [main.py:798]
{rank 0/64} MD step = 454900 step time: 00:00:00.350945 Performance: 37.978 ns/day 0.632 hours/ns 2.198 steps/s 2024-05-20 04:09:16,766 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 454900 90980 70.756 -28323 7754.9 -36078 -36078 4.1103 -11.17 1.1021 8.6226e+05 2024-05-20 04:09:51,290 INFO [main.py:798]
{rank 0/64} MD step = 455000 step time: 00:00:00.378332 Performance: 37.979 ns/day 0.632 hours/ns 2.198 steps/s 2024-05-20 04:09:56,583 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455000 91000 69.893 -28559 7660.4 -36220 -36220 4.111 -11.168 1.1017 8.6245e+05 2024-05-20 04:10:31,215 INFO [main.py:798]
{rank 0/64} MD step = 455100 step time: 00:00:00.375198 Performance: 37.980 ns/day 0.632 hours/ns 2.198 steps/s 2024-05-20 04:10:37,708 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455100 91020 70.95 -28399 7776.2 -36175 -36175 4.1103 -11.168 1.1021 8.6262e+05 2024-05-20 04:11:11,459 INFO [main.py:798]
{rank 0/64} MD step = 455200 step time: 00:00:00.326391 Performance: 37.981 ns/day 0.632 hours/ns 2.198 steps/s 2024-05-20 04:11:17,354 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455200 91040 70.61 -28293 7738.9 -36032 -36032 4.1093 -11.166 1.1012 8.6285e+05 2024-05-20 04:11:51,790 INFO [main.py:798]
{rank 0/64} MD step = 455300 step time: 00:00:00.327106 Performance: 37.982 ns/day 0.632 hours/ns 2.198 steps/s 2024-05-20 04:12:02,542 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455300 91060 69.958 -28272 7667.5 -35940 -35940 4.1079 -11.162 1.1011 8.6308e+05 2024-05-20 04:12:38,624 INFO [main.py:798]
{rank 0/64} MD step = 455400 step time: 00:00:00.345651 Performance: 37.982 ns/day 0.632 hours/ns 2.198 steps/s 2024-05-20 04:12:44,653 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455400 91080 68.513 -28586 7509.1 -36095 -36095 4.1068 -11.161 1.1019 8.6323e+05 2024-05-20 04:13:19,196 INFO [main.py:798]
{rank 0/64} MD step = 455500 step time: 00:00:00.353814 Performance: 37.983 ns/day 0.632 hours/ns 2.198 steps/s 2024-05-20 04:13:28,589 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455500 91100 70.84 -28362 7764.1 -36126 -36126 4.1057 -11.163 1.1037 8.6342e+05 2024-05-20 04:14:02,340 INFO [main.py:798]
{rank 0/64} MD step = 455600 step time: 00:00:00.336355 Performance: 37.983 ns/day 0.632 hours/ns 2.198 steps/s 2024-05-20 04:14:08,570 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455600 91120 70.729 -28336 7752 -36088 -36088 4.1072 -11.161 1.1041 8.6359e+05 2024-05-20 04:14:42,439 INFO [main.py:798]
{rank 0/64} MD step = 455700 step time: 00:00:00.343301 Performance: 37.984 ns/day 0.632 hours/ns 2.198 steps/s 2024-05-20 04:14:48,231 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455700 91140 69.603 -28676 7628.6 -36304 -36304 4.1069 -11.161 1.1052 8.6375e+05 2024-05-20 04:15:21,977 INFO [main.py:798]
{rank 0/64} MD step = 455800 step time: 00:00:00.356138 Performance: 37.985 ns/day 0.632 hours/ns 2.198 steps/s 2024-05-20 04:15:28,995 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455800 91160 70.027 -28457 7675 -36132 -36132 4.1072 -11.158 1.1047 8.6399e+05 2024-05-20 04:16:04,789 INFO [main.py:798]
{rank 0/64} MD step = 455900 step time: 00:00:00.355178 Performance: 37.986 ns/day 0.632 hours/ns 2.198 steps/s 2024-05-20 04:16:14,375 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455900 91180 69.553 -28634 7623.1 -36258 -36258 4.1062 -11.156 1.1056 8.6419e+05 2024-05-20 04:16:48,982 INFO [main.py:798]
{rank 0/64} MD step = 456000 step time: 00:00:00.357923 Performance: 37.986 ns/day 0.632 hours/ns 2.198 steps/s 2024-05-20 04:16:55,179 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456000 91200 69.991 -28499 7671.1 -36170 -36170 4.1043 -11.154 1.1056 8.6439e+05 2024-05-20 04:17:29,033 INFO [main.py:798]
{rank 0/64} MD step = 456100 step time: 00:00:00.337091 Performance: 37.987 ns/day 0.632 hours/ns 2.198 steps/s 2024-05-20 04:17:34,167 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456100 91220 70.067 -28457 7679.4 -36136 -36136 4.1033 -11.153 1.1054 8.6458e+05 2024-05-20 04:18:08,745 INFO [main.py:798]
{rank 0/64} MD step = 456200 step time: 00:00:00.328242 Performance: 37.988 ns/day 0.632 hours/ns 2.198 steps/s 2024-05-20 04:18:15,307 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456200 91240 70.588 -28393 7736.5 -36130 -36130 4.1008 -11.149 1.1057 8.6475e+05 2024-05-20 04:18:49,529 INFO [main.py:798]
{rank 0/64} MD step = 456300 step time: 00:00:00.328999 Performance: 37.989 ns/day 0.632 hours/ns 2.198 steps/s 2024-05-20 04:18:58,449 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456300 91260 69.193 -28572 7583.6 -36155 -36155 4.1001 -11.145 1.1055 8.6489e+05 2024-05-20 04:19:32,821 INFO [main.py:798]
{rank 0/64} MD step = 456400 step time: 00:00:00.345160 Performance: 37.989 ns/day 0.632 hours/ns 2.198 steps/s 2024-05-20 04:19:39,600 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456400 91280 70.46 -28523 7722.5 -36245 -36245 4.0991 -11.145 1.1041 8.6508e+05 2024-05-20 04:20:15,435 INFO [main.py:798]
{rank 0/64} MD step = 456500 step time: 00:00:00.336654 Performance: 37.990 ns/day 0.632 hours/ns 2.198 steps/s 2024-05-20 04:20:22,568 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456500 91300 70.919 -28369 7772.8 -36142 -36142 4.0967 -11.143 1.1042 8.6529e+05 2024-05-20 04:20:56,858 INFO [main.py:798]
{rank 0/64} MD step = 456600 step time: 00:00:00.329817 Performance: 37.990 ns/day 0.632 hours/ns 2.199 steps/s 2024-05-20 04:21:11,601 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456600 91320 70.403 -28475 7716.3 -36191 -36191 4.0939 -11.143 1.1057 8.6543e+05 2024-05-20 04:21:46,604 INFO [main.py:798]
{rank 0/64} MD step = 456700 step time: 00:00:00.347844 Performance: 37.990 ns/day 0.632 hours/ns 2.198 steps/s 2024-05-20 04:21:54,576 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456700 91340 69.784 -28555 7648.4 -36203 -36203 4.0937 -11.141 1.1057 8.6562e+05 2024-05-20 04:22:29,258 INFO [main.py:798]
{rank 0/64} MD step = 456800 step time: 00:00:00.352057 Performance: 37.990 ns/day 0.632 hours/ns 2.199 steps/s 2024-05-20 04:22:35,385 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456800 91360 69.746 -28541 7644.3 -36186 -36186 4.0931 -11.141 1.1062 8.6579e+05 2024-05-20 04:23:09,467 INFO [main.py:798]
{rank 0/64} MD step = 456900 step time: 00:00:00.348738 Performance: 37.991 ns/day 0.632 hours/ns 2.199 steps/s 2024-05-20 04:23:16,071 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456900 91380 68.985 -28509 7560.9 -36069 -36069 4.0916 -11.142 1.1073 8.6599e+05 2024-05-20 04:23:50,497 INFO [main.py:798]
{rank 0/64} MD step = 457000 step time: 00:00:00.332826 Performance: 37.992 ns/day 0.632 hours/ns 2.199 steps/s 2024-05-20 04:23:57,881 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 457000 91400 70.749 -28147 7754.1 -35901 -35901 4.0913 -11.141 1.1067 8.6617e+05 2024-05-20 04:24:33,194 INFO [main.py:798]
{rank 0/64} MD step = 457100 step time: 00:00:00.346643 Performance: 37.992 ns/day 0.632 hours/ns 2.199 steps/s 2024-05-20 04:24:37,617 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 457100 91420 71.238 -28287 7807.8 -36095 -36095 4.0908 -11.139 1.1047 8.6635e+05 2024-05-20 04:25:13,217 INFO [main.py:798]
{rank 0/64} MD step = 457200 step time: 00:00:00.348626 Performance: 37.993 ns/day 0.632 hours/ns 2.199 steps/s 2024-05-20 04:25:18,682 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 457200 91440 69.612 -28373 7629.5 -36003 -36003 4.0907 -11.138 1.1051 8.6657e+05 2024-05-20 04:25:52,186 INFO [main.py:798]
{rank 0/64} MD step = 457300 step time: 00:00:00.326444 Performance: 37.995 ns/day 0.632 hours/ns 2.199 steps/s 2024-05-20 04:25:57,564 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 457300 91460 69.761 -28282 7645.9 -35928 -35928 4.0912 -11.137 1.1036 8.6678e+05 2024-05-20 04:26:32,791 INFO [main.py:798]
{rank 0/64} MD step = 457400 step time: 00:00:00.328849 Performance: 37.996 ns/day 0.632 hours/ns 2.199 steps/s 2024-05-20 04:26:38,830 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 457400 91480 70.022 -28535 7674.5 -36210 -36210 4.0903 -11.135 1.1043 8.6694e+05 2024-05-20 04:27:14,248 INFO [main.py:798]
{rank 0/64} MD step = 457500 step time: 00:00:00.340781 Performance: 37.996 ns/day 0.632 hours/ns 2.199 steps/s 2024-05-20 04:27:21,980 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 457500 91500 70.034 -28390 7675.9 -36066 -36066 4.0885 -11.135 1.1048 8.6712e+05 2024-05-20 04:27:56,670 INFO [main.py:798]
{rank 0/64} MD step = 457600 step time: 00:00:00.327088 Performance: 37.997 ns/day 0.632 hours/ns 2.199 steps/s 2024-05-20 04:28:07,286 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 457600 91520 70.071 -28367 7679.9 -36047 -36047 4.0881 -11.135 1.1053 8.6734e+05 2024-05-20 04:28:41,373 INFO [main.py:798]
{rank 0/64} MD step = 457700 step time: 00:00:00.332717 Performance: 37.997 ns/day 0.632 hours/ns 2.199 steps/s 2024-05-20 04:28:47,888 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 457700 91540 69.906 -28347 7661.7 -36008 -36008 4.0872 -11.133 1.1063 8.6749e+05 2024-05-20 04:29:21,960 INFO [main.py:798]
{rank 0/64} MD step = 457800 step time: 00:00:00.325910 Performance: 37.998 ns/day 0.632 hours/ns 2.199 steps/s 2024-05-20 04:29:27,566 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 457800 91560 68.237 -28477 7478.9 -35956 -35956 4.0865 -11.132 1.1068 8.6767e+05 2024-05-20 04:30:01,602 INFO [main.py:798]
{rank 0/64} MD step = 457900 step time: 00:00:00.327634 Performance: 37.999 ns/day 0.632 hours/ns 2.199 steps/s 2024-05-20 04:30:08,049 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 457900 91580 70.852 -28339 7765.5 -36104 -36104 4.0857 -11.131 1.1064 8.6786e+05 2024-05-20 04:30:43,299 INFO [main.py:798]
{rank 0/64} MD step = 458000 step time: 00:00:00.327600 Performance: 38.000 ns/day 0.632 hours/ns 2.199 steps/s 2024-05-20 04:30:48,883 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458000 91600 69.622 -28456 7630.6 -36086 -36086 4.0844 -11.13 1.1055 8.681e+05 2024-05-20 04:31:23,267 INFO [main.py:798]
{rank 0/64} MD step = 458100 step time: 00:00:00.330050 Performance: 38.001 ns/day 0.632 hours/ns 2.199 steps/s 2024-05-20 04:31:33,608 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458100 91620 69.222 -28427 7586.8 -36014 -36014 4.085 -11.131 1.106 8.6828e+05 2024-05-20 04:32:08,251 INFO [main.py:798]
{rank 0/64} MD step = 458200 step time: 00:00:00.332548 Performance: 38.001 ns/day 0.632 hours/ns 2.199 steps/s 2024-05-20 04:32:14,563 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458200 91640 70.14 -28133 7687.5 -35820 -35820 4.0847 -11.133 1.1063 8.6853e+05 2024-05-20 04:32:49,495 INFO [main.py:798]
{rank 0/64} MD step = 458300 step time: 00:00:00.330099 Performance: 38.001 ns/day 0.632 hours/ns 2.199 steps/s 2024-05-20 04:32:55,075 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458300 91660 69.833 -28365 7653.8 -36019 -36019 4.0837 -11.134 1.1075 8.6867e+05 2024-05-20 04:33:30,778 INFO [main.py:798]
{rank 0/64} MD step = 458400 step time: 00:00:00.375554 Performance: 38.002 ns/day 0.632 hours/ns 2.199 steps/s 2024-05-20 04:33:36,303 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458400 91680 70.075 -28413 7680.3 -36094 -36094 4.0842 -11.132 1.1082 8.6884e+05 2024-05-20 04:34:11,455 INFO [main.py:798]
{rank 0/64} MD step = 458500 step time: 00:00:00.356909 Performance: 38.003 ns/day 0.632 hours/ns 2.199 steps/s 2024-05-20 04:34:17,243 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458500 91700 70.236 -28414 7698 -36112 -36112 4.0826 -11.132 1.1089 8.6907e+05 2024-05-20 04:34:52,986 INFO [main.py:798]
{rank 0/64} MD step = 458600 step time: 00:00:00.369617 Performance: 38.004 ns/day 0.632 hours/ns 2.199 steps/s 2024-05-20 04:34:58,681 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458600 91720 70.12 -28359 7685.2 -36045 -36045 4.0818 -11.132 1.107 8.6928e+05 2024-05-20 04:35:33,314 INFO [main.py:798]
{rank 0/64} MD step = 458700 step time: 00:00:00.346570 Performance: 38.005 ns/day 0.631 hours/ns 2.199 steps/s 2024-05-20 04:35:41,402 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458700 91740 69.644 -28267 7633 -35900 -35900 4.0803 -11.131 1.1071 8.6948e+05 2024-05-20 04:36:15,749 INFO [main.py:798]
{rank 0/64} MD step = 458800 step time: 00:00:00.333090 Performance: 38.005 ns/day 0.631 hours/ns 2.199 steps/s 2024-05-20 04:36:20,308 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458800 91760 69.147 -28508 7578.6 -36087 -36087 4.0776 -11.131 1.1066 8.6962e+05 2024-05-20 04:36:56,997 INFO [main.py:798]
{rank 0/64} MD step = 458900 step time: 00:00:00.332984 Performance: 38.006 ns/day 0.631 hours/ns 2.199 steps/s 2024-05-20 04:37:04,655 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458900 91780 70.381 -28336 7713.8 -36050 -36050 4.0775 -11.132 1.1059 8.6981e+05 2024-05-20 04:37:39,206 INFO [main.py:798]
{rank 0/64} MD step = 459000 step time: 00:00:00.327441 Performance: 38.007 ns/day 0.631 hours/ns 2.199 steps/s 2024-05-20 04:37:46,998 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459000 91800 69.155 -28512 7579.4 -36092 -36092 4.0766 -11.131 1.1049 8.7e+05 2024-05-20 04:38:20,860 INFO [main.py:798]
{rank 0/64} MD step = 459100 step time: 00:00:00.327464 Performance: 38.007 ns/day 0.631 hours/ns 2.200 steps/s 2024-05-20 04:38:27,383 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459100 91820 70.205 -28340 7694.6 -36035 -36035 4.0761 -11.13 1.1065 8.7019e+05 2024-05-20 04:39:02,197 INFO [main.py:798]
{rank 0/64} MD step = 459200 step time: 00:00:00.327200 Performance: 38.008 ns/day 0.631 hours/ns 2.200 steps/s 2024-05-20 04:39:09,252 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459200 91840 69.524 -28431 7619.9 -36051 -36051 4.0755 -11.128 1.1083 8.7038e+05 2024-05-20 04:39:43,760 INFO [main.py:798]
{rank 0/64} MD step = 459300 step time: 00:00:00.342617 Performance: 38.009 ns/day 0.631 hours/ns 2.200 steps/s 2024-05-20 04:39:49,831 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459300 91860 69.709 -28404 7640.1 -36044 -36044 4.075 -11.128 1.1089 8.7054e+05 2024-05-20 04:40:24,255 INFO [main.py:798]
{rank 0/64} MD step = 459400 step time: 00:00:00.343878 Performance: 38.010 ns/day 0.631 hours/ns 2.200 steps/s 2024-05-20 04:40:30,302 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459400 91880 70.304 -28521 7705.4 -36226 -36226 4.074 -11.129 1.1098 8.7071e+05 2024-05-20 04:41:04,450 INFO [main.py:798]
{rank 0/64} MD step = 459500 step time: 00:00:00.344792 Performance: 38.011 ns/day 0.631 hours/ns 2.200 steps/s 2024-05-20 04:41:10,658 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459500 91900 70.228 -28334 7697.1 -36031 -36031 4.0737 -11.132 1.1105 8.7087e+05 2024-05-20 04:41:46,288 INFO [main.py:798]
{rank 0/64} MD step = 459600 step time: 00:00:00.352933 Performance: 38.011 ns/day 0.631 hours/ns 2.200 steps/s 2024-05-20 04:41:55,441 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459600 91920 69.481 -28618 7615.2 -36233 -36233 4.0736 -11.134 1.112 8.7106e+05 2024-05-20 04:42:30,034 INFO [main.py:798]
{rank 0/64} MD step = 459700 step time: 00:00:00.346834 Performance: 38.012 ns/day 0.631 hours/ns 2.200 steps/s 2024-05-20 04:42:35,574 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459700 91940 69.964 -28437 7668.1 -36106 -36106 4.0732 -11.138 1.1139 8.7127e+05 2024-05-20 04:43:09,942 INFO [main.py:798]
{rank 0/64} MD step = 459800 step time: 00:00:00.338964 Performance: 38.013 ns/day 0.631 hours/ns 2.200 steps/s 2024-05-20 04:43:17,436 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459800 91960 69.95 -28606 7666.6 -36272 -36272 4.0723 -11.14 1.1146 8.7143e+05 2024-05-20 04:43:51,368 INFO [main.py:798]
{rank 0/64} MD step = 459900 step time: 00:00:00.327193 Performance: 38.013 ns/day 0.631 hours/ns 2.200 steps/s 2024-05-20 04:44:02,389 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459900 91980 70.019 -28538 7674.2 -36212 -36212 4.0716 -11.144 1.1141 8.716e+05 2024-05-20 04:44:36,043 INFO [main.py:798]
{rank 0/64} MD step = 460000 step time: 00:00:00.352514 Performance: 38.014 ns/day 0.631 hours/ns 2.200 steps/s 2024-05-20 04:44:41,991 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460000 92000 71.319 -28388 7816.6 -36205 -36205 4.0715 -11.148 1.1139 8.7179e+05 2024-05-20 04:45:16,253 INFO [main.py:798]
{rank 0/64} MD step = 460100 step time: 00:00:00.355853 Performance: 38.015 ns/day 0.631 hours/ns 2.200 steps/s 2024-05-20 04:45:21,748 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460100 92020 70.155 -28418 7689.1 -36107 -36107 4.0716 -11.148 1.1129 8.7196e+05 2024-05-20 04:45:56,263 INFO [main.py:798]
{rank 0/64} MD step = 460200 step time: 00:00:00.348749 Performance: 38.016 ns/day 0.631 hours/ns 2.200 steps/s 2024-05-20 04:46:01,993 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460200 92040 69.894 -28516 7660.4 -36176 -36176 4.0684 -11.149 1.1137 8.7213e+05 2024-05-20 04:46:36,562 INFO [main.py:798]
{rank 0/64} MD step = 460300 step time: 00:00:00.353034 Performance: 38.016 ns/day 0.631 hours/ns 2.200 steps/s 2024-05-20 04:46:42,923 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460300 92060 70.028 -28496 7675.1 -36171 -36171 4.0659 -11.152 1.1152 8.7233e+05 2024-05-20 04:47:17,311 INFO [main.py:798]
{rank 0/64} MD step = 460400 step time: 00:00:00.344379 Performance: 38.017 ns/day 0.631 hours/ns 2.200 steps/s 2024-05-20 04:47:23,368 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460400 92080 69.685 -28266 7637.6 -35904 -35904 4.0676 -11.153 1.1146 8.7257e+05 2024-05-20 04:47:57,541 INFO [main.py:798]
{rank 0/64} MD step = 460500 step time: 00:00:00.343581 Performance: 38.018 ns/day 0.631 hours/ns 2.200 steps/s 2024-05-20 04:48:03,688 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460500 92100 70.671 -28393 7745.6 -36139 -36139 4.0676 -11.153 1.1154 8.7275e+05 2024-05-20 04:48:37,714 INFO [main.py:798]
{rank 0/64} MD step = 460600 step time: 00:00:00.356539 Performance: 38.019 ns/day 0.631 hours/ns 2.200 steps/s 2024-05-20 04:48:44,005 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460600 92120 69.244 -28594 7589.3 -36183 -36183 4.0672 -11.154 1.1155 8.7292e+05 2024-05-20 04:49:18,134 INFO [main.py:798]
{rank 0/64} MD step = 460700 step time: 00:00:00.352705 Performance: 38.020 ns/day 0.631 hours/ns 2.200 steps/s 2024-05-20 04:49:25,141 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460700 92140 70.222 -28475 7696.4 -36171 -36171 4.0662 -11.156 1.115 8.7314e+05 2024-05-20 04:50:00,988 INFO [main.py:798]
{rank 0/64} MD step = 460800 step time: 00:00:00.356249 Performance: 38.021 ns/day 0.631 hours/ns 2.200 steps/s 2024-05-20 04:50:07,030 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460800 92160 70.594 -28182 7737.2 -35920 -35920 4.065 -11.158 1.1138 8.7334e+05 2024-05-20 04:50:41,637 INFO [main.py:798]
{rank 0/64} MD step = 460900 step time: 00:00:00.350253 Performance: 38.021 ns/day 0.631 hours/ns 2.200 steps/s 2024-05-20 04:50:48,496 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460900 92180 69.562 -28535 7624.1 -36159 -36159 4.0638 -11.16 1.114 8.7351e+05 2024-05-20 04:51:22,469 INFO [main.py:798]
{rank 0/64} MD step = 461000 step time: 00:00:00.344676 Performance: 38.022 ns/day 0.631 hours/ns 2.200 steps/s 2024-05-20 04:51:29,267 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461000 92200 68.566 -28949 7514.9 -36464 -36464 4.0627 -11.161 1.1147 8.7365e+05 2024-05-20 04:52:03,049 INFO [main.py:798]
{rank 0/64} MD step = 461100 step time: 00:00:00.343131 Performance: 38.023 ns/day 0.631 hours/ns 2.200 steps/s 2024-05-20 04:52:29,320 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461100 92220 70.282 -28510 7703 -36213 -36213 4.0619 -11.162 1.1137 8.7388e+05 2024-05-20 04:53:03,714 INFO [main.py:798]
{rank 0/64} MD step = 461200 step time: 00:00:00.347532 Performance: 38.020 ns/day 0.631 hours/ns 2.200 steps/s 2024-05-20 04:53:12,482 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461200 92240 69.139 -28598 7577.7 -36176 -36176 4.0624 -11.167 1.1148 8.7412e+05 2024-05-20 04:53:46,272 INFO [main.py:798]
{rank 0/64} MD step = 461300 step time: 00:00:00.340378 Performance: 38.021 ns/day 0.631 hours/ns 2.200 steps/s 2024-05-20 04:53:58,437 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461300 92260 69.497 -28544 7616.9 -36161 -36161 4.0612 -11.171 1.1148 8.7433e+05 2024-05-20 04:54:33,473 INFO [main.py:798]
{rank 0/64} MD step = 461400 step time: 00:00:00.328418 Performance: 38.021 ns/day 0.631 hours/ns 2.200 steps/s 2024-05-20 04:54:41,300 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461400 92280 69.546 -28553 7622.3 -36175 -36175 4.06 -11.174 1.1144 8.7448e+05 2024-05-20 04:55:16,442 INFO [main.py:798]
{rank 0/64} MD step = 461500 step time: 00:00:00.326951 Performance: 38.021 ns/day 0.631 hours/ns 2.200 steps/s 2024-05-20 04:55:23,264 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461500 92300 70.226 -28512 7696.8 -36209 -36209 4.0587 -11.175 1.1133 8.7464e+05 2024-05-20 04:55:58,202 INFO [main.py:798]
{rank 0/64} MD step = 461600 step time: 00:00:00.326331 Performance: 38.022 ns/day 0.631 hours/ns 2.200 steps/s 2024-05-20 04:56:13,386 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461600 92320 69.306 -28433 7596 -36029 -36029 4.0575 -11.177 1.1148 8.7491e+05 2024-05-20 04:56:47,574 INFO [main.py:798]
{rank 0/64} MD step = 461700 step time: 00:00:00.353377 Performance: 38.021 ns/day 0.631 hours/ns 2.200 steps/s 2024-05-20 04:56:55,863 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461700 92340 70.508 -28341 7727.7 -36069 -36069 4.0563 -11.177 1.115 8.7509e+05 2024-05-20 04:57:30,065 INFO [main.py:798]
{rank 0/64} MD step = 461800 step time: 00:00:00.336852 Performance: 38.022 ns/day 0.631 hours/ns 2.200 steps/s 2024-05-20 04:57:36,578 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461800 92360 70.542 -28455 7731.5 -36186 -36186 4.0547 -11.176 1.1165 8.7525e+05 2024-05-20 04:58:11,064 INFO [main.py:798]
{rank 0/64} MD step = 461900 step time: 00:00:00.353272 Performance: 38.022 ns/day 0.631 hours/ns 2.200 steps/s 2024-05-20 04:58:17,107 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461900 92380 70.568 -28617 7734.4 -36351 -36351 4.0538 -11.176 1.1167 8.754e+05 2024-05-20 04:58:51,649 INFO [main.py:798]
{rank 0/64} MD step = 462000 step time: 00:00:00.345187 Performance: 38.023 ns/day 0.631 hours/ns 2.200 steps/s 2024-05-20 04:58:57,683 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462000 92400 70.827 -28390 7762.7 -36153 -36153 4.0562 -11.177 1.1179 8.7561e+05 2024-05-20 04:59:31,287 INFO [main.py:798]
{rank 0/64} MD step = 462100 step time: 00:00:00.333170 Performance: 38.024 ns/day 0.631 hours/ns 2.200 steps/s 2024-05-20 04:59:37,104 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462100 92420 69.818 -28460 7652.1 -36112 -36112 4.0558 -11.176 1.1176 8.7584e+05 2024-05-20 05:00:11,438 INFO [main.py:798]
{rank 0/64} MD step = 462200 step time: 00:00:00.350220 Performance: 38.025 ns/day 0.631 hours/ns 2.201 steps/s 2024-05-20 05:00:17,168 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462200 92440 70.533 -28337 7730.5 -36068 -36068 4.054 -11.177 1.1181 8.76e+05 2024-05-20 05:00:51,754 INFO [main.py:798]
{rank 0/64} MD step = 462300 step time: 00:00:00.352858 Performance: 38.026 ns/day 0.631 hours/ns 2.201 steps/s 2024-05-20 05:00:58,665 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462300 92460 69.69 -28430 7638.1 -36068 -36068 4.0531 -11.177 1.1176 8.7617e+05 2024-05-20 05:01:33,142 INFO [main.py:798]
{rank 0/64} MD step = 462400 step time: 00:00:00.342552 Performance: 38.027 ns/day 0.631 hours/ns 2.201 steps/s 2024-05-20 05:01:39,458 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462400 92480 69.702 -28620 7639.4 -36260 -36260 4.0522 -11.179 1.1175 8.7633e+05 2024-05-20 05:02:13,547 INFO [main.py:798]
{rank 0/64} MD step = 462500 step time: 00:00:00.339697 Performance: 38.028 ns/day 0.631 hours/ns 2.201 steps/s 2024-05-20 05:02:26,710 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462500 92500 69.98 -28391 7669.9 -36061 -36061 4.0513 -11.181 1.1181 8.7653e+05 2024-05-20 05:03:01,016 INFO [main.py:798]
{rank 0/64} MD step = 462600 step time: 00:00:00.349336 Performance: 38.027 ns/day 0.631 hours/ns 2.201 steps/s 2024-05-20 05:03:06,806 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462600 92520 70.067 -28326 7679.5 -36006 -36006 4.0499 -11.182 1.1179 8.7674e+05 2024-05-20 05:03:41,080 INFO [main.py:798]
{rank 0/64} MD step = 462700 step time: 00:00:00.347048 Performance: 38.028 ns/day 0.631 hours/ns 2.201 steps/s 2024-05-20 05:03:47,997 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462700 92540 69.535 -28505 7621.1 -36126 -36126 4.0502 -11.184 1.1173 8.7693e+05 2024-05-20 05:04:22,766 INFO [main.py:798]
{rank 0/64} MD step = 462800 step time: 00:00:00.362308 Performance: 38.029 ns/day 0.631 hours/ns 2.201 steps/s 2024-05-20 05:04:29,165 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462800 92560 69.196 -28632 7583.9 -36215 -36215 4.0487 -11.182 1.1179 8.7711e+05 2024-05-20 05:05:05,165 INFO [main.py:798]
{rank 0/64} MD step = 462900 step time: 00:00:00.395520 Performance: 38.030 ns/day 0.631 hours/ns 2.201 steps/s 2024-05-20 05:05:11,427 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462900 92580 70.449 -28371 7721.3 -36092 -36092 4.0459 -11.179 1.1184 8.7728e+05 2024-05-20 05:05:46,169 INFO [main.py:798]
{rank 0/64} MD step = 463000 step time: 00:00:00.352993 Performance: 38.030 ns/day 0.631 hours/ns 2.201 steps/s 2024-05-20 05:05:51,943 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 463000 92600 70.321 -28290 7707.3 -35997 -35997 4.0436 -11.177 1.1189 8.775e+05 2024-05-20 05:06:25,760 INFO [main.py:798]
{rank 0/64} MD step = 463100 step time: 00:00:00.343524 Performance: 38.032 ns/day 0.631 hours/ns 2.201 steps/s 2024-05-20 05:06:32,562 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 463100 92620 69.445 -28374 7611.2 -35985 -35985 4.0425 -11.175 1.1184 8.7768e+05 2024-05-20 05:07:07,113 INFO [main.py:798]
{rank 0/64} MD step = 463200 step time: 00:00:00.351975 Performance: 38.032 ns/day 0.631 hours/ns 2.201 steps/s 2024-05-20 05:07:14,337 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 463200 92640 69.941 -28409 7665.6 -36075 -36075 4.0407 -11.173 1.1187 8.7786e+05 2024-05-20 05:07:48,994 INFO [main.py:798]
{rank 0/64} MD step = 463300 step time: 00:00:00.353936 Performance: 38.033 ns/day 0.631 hours/ns 2.201 steps/s 2024-05-20 05:08:01,161 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 463300 92660 68.575 -28428 7515.9 -35944 -35944 4.0402 -11.172 1.1184 8.7807e+05 2024-05-20 05:08:35,558 INFO [main.py:798]
{rank 0/64} MD step = 463400 step time: 00:00:00.342669 Performance: 38.033 ns/day 0.631 hours/ns 2.201 steps/s 2024-05-20 05:08:43,833 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 463400 92680 70.416 -28436 7717.7 -36154 -36154 4.0384 -11.172 1.1181 8.7822e+05 2024-05-20 05:09:18,917 INFO [main.py:798]
{rank 0/64} MD step = 463500 step time: 00:00:00.368965 Performance: 38.033 ns/day 0.631 hours/ns 2.201 steps/s 2024-05-20 05:09:31,329 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 463500 92700 71.527 -28247 7839.5 -36086 -36086 4.0374 -11.173 1.1181 8.7843e+05 2024-05-20 05:10:05,360 INFO [main.py:798]
{rank 0/64} MD step = 463600 step time: 00:00:00.327481 Performance: 38.033 ns/day 0.631 hours/ns 2.201 steps/s 2024-05-20 05:10:13,086 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 463600 92720 70.692 -28356 7747.9 -36104 -36104 4.0358 -11.174 1.1181 8.786e+05 2024-05-20 05:10:47,576 INFO [main.py:798]
{rank 0/64} MD step = 463700 step time: 00:00:00.333211 Performance: 38.033 ns/day 0.631 hours/ns 2.201 steps/s 2024-05-20 05:10:56,129 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 463700 92740 69.6 -28396 7628.2 -36024 -36024 4.0363 -11.172 1.1183 8.7882e+05 2024-05-20 05:11:31,209 INFO [main.py:798]
{rank 0/64} MD step = 463800 step time: 00:00:00.326429 Performance: 38.034 ns/day 0.631 hours/ns 2.201 steps/s 2024-05-20 05:11:41,095 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 463800 92760 69.947 -28200 7666.3 -35866 -35866 4.0355 -11.171 1.1174 8.7901e+05 2024-05-20 05:12:15,259 INFO [main.py:798]
{rank 0/64} MD step = 463900 step time: 00:00:00.325951 Performance: 38.034 ns/day 0.631 hours/ns 2.201 steps/s 2024-05-20 05:12:22,686 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 463900 92780 70.493 -28203 7726.1 -35929 -35929 4.0341 -11.169 1.1179 8.7915e+05 2024-05-20 05:12:59,941 INFO [main.py:798]
{rank 0/64} MD step = 464000 step time: 00:00:00.327193 Performance: 38.034 ns/day 0.631 hours/ns 2.201 steps/s 2024-05-20 05:13:09,262 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464000 92800 69.727 -28494 7642.2 -36136 -36136 4.0332 -11.169 1.1163 8.7934e+05 2024-05-20 05:13:43,488 INFO [main.py:798]
{rank 0/64} MD step = 464100 step time: 00:00:00.326623 Performance: 38.035 ns/day 0.631 hours/ns 2.201 steps/s 2024-05-20 05:13:50,900 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464100 92820 69.986 -28338 7670.5 -36009 -36009 4.0344 -11.167 1.116 8.7957e+05 2024-05-20 05:14:27,170 INFO [main.py:798]
{rank 0/64} MD step = 464200 step time: 00:00:00.328985 Performance: 38.035 ns/day 0.631 hours/ns 2.201 steps/s 2024-05-20 05:14:33,866 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464200 92840 70.521 -28391 7729.1 -36120 -36120 4.0343 -11.164 1.1158 8.7973e+05 2024-05-20 05:15:08,079 INFO [main.py:798]
{rank 0/64} MD step = 464300 step time: 00:00:00.327079 Performance: 38.036 ns/day 0.631 hours/ns 2.201 steps/s 2024-05-20 05:15:14,847 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464300 92860 70.451 -28461 7721.5 -36182 -36182 4.0328 -11.163 1.1155 8.7992e+05 2024-05-20 05:15:51,720 INFO [main.py:798]
{rank 0/64} MD step = 464400 step time: 00:00:00.326392 Performance: 38.036 ns/day 0.631 hours/ns 2.201 steps/s 2024-05-20 05:16:03,035 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464400 92880 70.27 -28343 7701.7 -36044 -36044 4.0325 -11.162 1.1149 8.8013e+05 2024-05-20 05:16:37,910 INFO [main.py:798]
{rank 0/64} MD step = 464500 step time: 00:00:00.345465 Performance: 38.036 ns/day 0.631 hours/ns 2.201 steps/s 2024-05-20 05:16:43,800 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464500 92900 70.334 -28395 7708.7 -36104 -36104 4.0312 -11.159 1.1157 8.8034e+05 2024-05-20 05:17:18,172 INFO [main.py:798]
{rank 0/64} MD step = 464600 step time: 00:00:00.329017 Performance: 38.037 ns/day 0.631 hours/ns 2.201 steps/s 2024-05-20 05:17:24,673 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464600 92920 70.727 -28365 7751.7 -36117 -36117 4.0315 -11.157 1.1145 8.8052e+05 2024-05-20 05:17:58,567 INFO [main.py:798]
{rank 0/64} MD step = 464700 step time: 00:00:00.350242 Performance: 38.038 ns/day 0.631 hours/ns 2.201 steps/s 2024-05-20 05:18:04,886 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464700 92940 69.259 -28501 7590.9 -36092 -36092 4.0307 -11.156 1.113 8.8072e+05 2024-05-20 05:18:38,866 INFO [main.py:798]
{rank 0/64} MD step = 464800 step time: 00:00:00.353766 Performance: 38.039 ns/day 0.631 hours/ns 2.201 steps/s 2024-05-20 05:18:45,360 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464800 92960 70.662 -28202 7744.7 -35947 -35947 4.03 -11.155 1.1135 8.8092e+05 2024-05-20 05:19:19,281 INFO [main.py:798]
{rank 0/64} MD step = 464900 step time: 00:00:00.343053 Performance: 38.040 ns/day 0.631 hours/ns 2.201 steps/s 2024-05-20 05:19:25,876 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464900 92980 69.885 -28370 7659.5 -36029 -36029 4.0281 -11.153 1.1136 8.8115e+05 2024-05-20 05:19:59,828 INFO [main.py:798]
{rank 0/64} MD step = 465000 step time: 00:00:00.337588 Performance: 38.040 ns/day 0.631 hours/ns 2.201 steps/s 2024-05-20 05:20:08,717 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465000 93000 69.672 -28423 7636.2 -36059 -36059 4.0274 -11.15 1.1142 8.8132e+05 2024-05-20 05:20:42,700 INFO [main.py:798]
{rank 0/64} MD step = 465100 step time: 00:00:00.342992 Performance: 38.041 ns/day 0.631 hours/ns 2.201 steps/s 2024-05-20 05:20:49,183 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465100 93020 69.615 -28402 7629.9 -36031 -36031 4.0268 -11.146 1.1154 8.8149e+05 2024-05-20 05:21:23,383 INFO [main.py:798]
{rank 0/64} MD step = 465200 step time: 00:00:00.349481 Performance: 38.042 ns/day 0.631 hours/ns 2.201 steps/s 2024-05-20 05:21:31,443 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465200 93040 69.744 -28546 7644 -36190 -36190 4.0262 -11.144 1.1158 8.8166e+05 2024-05-20 05:22:05,085 INFO [main.py:798]
{rank 0/64} MD step = 465300 step time: 00:00:00.359870 Performance: 38.042 ns/day 0.631 hours/ns 2.202 steps/s 2024-05-20 05:22:11,446 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465300 93060 70.168 -28317 7690.5 -36008 -36008 4.0249 -11.142 1.1147 8.8183e+05 2024-05-20 05:22:46,102 INFO [main.py:798]
{rank 0/64} MD step = 465400 step time: 00:00:00.350427 Performance: 38.043 ns/day 0.631 hours/ns 2.202 steps/s 2024-05-20 05:22:53,627 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465400 93080 69.946 -28361 7666.2 -36028 -36028 4.0232 -11.142 1.1158 8.8203e+05 2024-05-20 05:23:28,200 INFO [main.py:798]
{rank 0/64} MD step = 465500 step time: 00:00:00.349660 Performance: 38.044 ns/day 0.631 hours/ns 2.202 steps/s 2024-05-20 05:23:41,807 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465500 93100 70.418 -28403 7717.9 -36121 -36121 4.0227 -11.139 1.1141 8.8219e+05 2024-05-20 05:24:16,060 INFO [main.py:798]
{rank 0/64} MD step = 465600 step time: 00:00:00.353758 Performance: 38.043 ns/day 0.631 hours/ns 2.202 steps/s 2024-05-20 05:24:26,694 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465600 93120 70.369 -28214 7712.6 -35927 -35927 4.0217 -11.135 1.1138 8.8241e+05 2024-05-20 05:25:00,413 INFO [main.py:798]
{rank 0/64} MD step = 465700 step time: 00:00:00.344940 Performance: 38.044 ns/day 0.631 hours/ns 2.202 steps/s 2024-05-20 05:25:12,177 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465700 93140 70.104 -28383 7683.5 -36066 -36066 4.0194 -11.133 1.1125 8.8259e+05 2024-05-20 05:25:46,845 INFO [main.py:798]
{rank 0/64} MD step = 465800 step time: 00:00:00.351363 Performance: 38.043 ns/day 0.631 hours/ns 2.202 steps/s 2024-05-20 05:25:55,924 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465800 93160 71.381 -28193 7823.4 -36017 -36017 4.0187 -11.131 1.1121 8.8279e+05 2024-05-20 05:26:31,554 INFO [main.py:798]
{rank 0/64} MD step = 465900 step time: 00:00:00.375750 Performance: 38.043 ns/day 0.631 hours/ns 2.202 steps/s 2024-05-20 05:26:38,259 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465900 93180 69.821 -28166 7652.4 -35819 -35819 4.0174 -11.126 1.1105 8.8301e+05 2024-05-20 05:27:11,856 INFO [main.py:798]
{rank 0/64} MD step = 466000 step time: 00:00:00.343448 Performance: 38.044 ns/day 0.631 hours/ns 2.202 steps/s 2024-05-20 05:27:16,457 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466000 93200 69.119 -28428 7575.5 -36003 -36003 4.0166 -11.122 1.1115 8.8315e+05 2024-05-20 05:27:51,852 INFO [main.py:798]
{rank 0/64} MD step = 466100 step time: 00:00:00.348626 Performance: 38.045 ns/day 0.631 hours/ns 2.202 steps/s 2024-05-20 05:27:58,832 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466100 93220 71.336 -28181 7818.5 -35999 -35999 4.0152 -11.12 1.1123 8.8332e+05 2024-05-20 05:28:32,744 INFO [main.py:798]
{rank 0/64} MD step = 466200 step time: 00:00:00.357875 Performance: 38.046 ns/day 0.631 hours/ns 2.202 steps/s 2024-05-20 05:28:38,984 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466200 93240 69.421 -28382 7608.6 -35991 -35991 4.0157 -11.118 1.1129 8.8353e+05 2024-05-20 05:29:12,964 INFO [main.py:798]
{rank 0/64} MD step = 466300 step time: 00:00:00.351404 Performance: 38.047 ns/day 0.631 hours/ns 2.202 steps/s 2024-05-20 05:29:20,784 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466300 93260 70.071 -28359 7679.9 -36039 -36039 4.0137 -11.114 1.113 8.8374e+05 2024-05-20 05:29:55,580 INFO [main.py:798]
{rank 0/64} MD step = 466400 step time: 00:00:00.343123 Performance: 38.048 ns/day 0.631 hours/ns 2.202 steps/s 2024-05-20 05:30:01,672 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466400 93280 68.752 -28302 7535.3 -35837 -35837 4.0137 -11.112 1.1135 8.8395e+05 2024-05-20 05:30:35,874 INFO [main.py:798]
{rank 0/64} MD step = 466500 step time: 00:00:00.338192 Performance: 38.049 ns/day 0.631 hours/ns 2.202 steps/s 2024-05-20 05:30:41,392 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466500 93300 69.921 -28169 7663.4 -35832 -35832 4.0131 -11.109 1.1144 8.8415e+05 2024-05-20 05:31:17,514 INFO [main.py:798]
{rank 0/64} MD step = 466600 step time: 00:00:00.353053 Performance: 38.049 ns/day 0.631 hours/ns 2.202 steps/s 2024-05-20 05:31:23,153 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466600 93320 70.117 -28227 7684.9 -35912 -35912 4.0126 -11.107 1.1129 8.8432e+05 2024-05-20 05:31:57,070 INFO [main.py:798]
{rank 0/64} MD step = 466700 step time: 00:00:00.325602 Performance: 38.050 ns/day 0.631 hours/ns 2.202 steps/s 2024-05-20 05:32:10,082 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466700 93340 71.426 -28142 7828.3 -35970 -35970 4.0123 -11.105 1.1126 8.8453e+05 2024-05-20 05:32:44,336 INFO [main.py:798]
{rank 0/64} MD step = 466800 step time: 00:00:00.350371 Performance: 38.050 ns/day 0.631 hours/ns 2.202 steps/s 2024-05-20 05:32:50,856 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466800 93360 70.254 -28351 7699.9 -36051 -36051 4.0116 -11.103 1.1132 8.847e+05 2024-05-20 05:33:27,440 INFO [main.py:798]
{rank 0/64} MD step = 466900 step time: 00:00:00.375411 Performance: 38.050 ns/day 0.631 hours/ns 2.202 steps/s 2024-05-20 05:33:34,170 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466900 93380 69.45 -28525 7611.8 -36137 -36137 4.0133 -11.098 1.1129 8.8489e+05 2024-05-20 05:34:10,376 INFO [main.py:798]
{rank 0/64} MD step = 467000 step time: 00:00:00.364749 Performance: 38.051 ns/day 0.631 hours/ns 2.202 steps/s 2024-05-20 05:34:16,926 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467000 93400 69.324 -28407 7598 -36005 -36005 4.0132 -11.093 1.1108 8.8509e+05 2024-05-20 05:34:50,986 INFO [main.py:798]
{rank 0/64} MD step = 467100 step time: 00:00:00.334580 Performance: 38.052 ns/day 0.631 hours/ns 2.202 steps/s 2024-05-20 05:34:58,259 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467100 93420 70.342 -28547 7709.6 -36257 -36257 4.0117 -11.091 1.112 8.8528e+05 2024-05-20 05:35:32,236 INFO [main.py:798]
{rank 0/64} MD step = 467200 step time: 00:00:00.335313 Performance: 38.052 ns/day 0.631 hours/ns 2.202 steps/s 2024-05-20 05:35:38,382 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467200 93440 70.222 -28315 7696.4 -36011 -36011 4.012 -11.088 1.1114 8.8553e+05 2024-05-20 05:36:12,525 INFO [main.py:798]
{rank 0/64} MD step = 467300 step time: 00:00:00.349321 Performance: 38.053 ns/day 0.631 hours/ns 2.202 steps/s 2024-05-20 05:36:20,363 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467300 93460 68.648 -28620 7523.9 -36144 -36144 4.0131 -11.085 1.1092 8.8569e+05 2024-05-20 05:36:55,155 INFO [main.py:798]
{rank 0/64} MD step = 467400 step time: 00:00:00.355502 Performance: 38.054 ns/day 0.631 hours/ns 2.202 steps/s 2024-05-20 05:37:04,130 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467400 93480 69.441 -28396 7610.8 -36007 -36007 4.0142 -11.081 1.1089 8.8593e+05 2024-05-20 05:37:38,573 INFO [main.py:798]
{rank 0/64} MD step = 467500 step time: 00:00:00.344203 Performance: 38.054 ns/day 0.631 hours/ns 2.202 steps/s 2024-05-20 05:37:42,905 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467500 93500 70.67 -28246 7745.5 -35991 -35991 4.0127 -11.078 1.1103 8.861e+05 2024-05-20 05:38:19,827 INFO [main.py:798]
{rank 0/64} MD step = 467600 step time: 00:00:00.345387 Performance: 38.055 ns/day 0.631 hours/ns 2.202 steps/s 2024-05-20 05:38:26,936 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467600 93520 69.358 -28398 7601.8 -35999 -35999 4.0117 -11.074 1.1101 8.8631e+05 2024-05-20 05:39:01,001 INFO [main.py:798]
{rank 0/64} MD step = 467700 step time: 00:00:00.350801 Performance: 38.056 ns/day 0.631 hours/ns 2.202 steps/s 2024-05-20 05:39:09,510 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467700 93540 70.361 -28314 7711.7 -36026 -36026 4.0101 -11.071 1.1108 8.865e+05 2024-05-20 05:39:43,254 INFO [main.py:798]
{rank 0/64} MD step = 467800 step time: 00:00:00.345991 Performance: 38.056 ns/day 0.631 hours/ns 2.202 steps/s 2024-05-20 05:39:51,260 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467800 93560 68.468 -28538 7504.2 -36043 -36043 4.0098 -11.069 1.1107 8.8666e+05 2024-05-20 05:40:25,824 INFO [main.py:798]
{rank 0/64} MD step = 467900 step time: 00:00:00.354291 Performance: 38.057 ns/day 0.631 hours/ns 2.202 steps/s 2024-05-20 05:40:32,512 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467900 93580 69.742 -28259 7643.8 -35903 -35903 4.0095 -11.066 1.1085 8.869e+05 2024-05-20 05:41:07,260 INFO [main.py:798]
{rank 0/64} MD step = 468000 step time: 00:00:00.352539 Performance: 38.057 ns/day 0.631 hours/ns 2.202 steps/s 2024-05-20 05:41:14,383 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 468000 93600 69.97 -28526 7668.8 -36195 -36195 4.0101 -11.063 1.1079 8.8705e+05 2024-05-20 05:41:48,749 INFO [main.py:798]
{rank 0/64} MD step = 468100 step time: 00:00:00.352087 Performance: 38.058 ns/day 0.631 hours/ns 2.202 steps/s 2024-05-20 05:41:56,104 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 468100 93620 70.191 -28338 7693 -36031 -36031 4.0075 -11.059 1.1063 8.873e+05 2024-05-20 05:42:30,001 INFO [main.py:798]
{rank 0/64} MD step = 468200 step time: 00:00:00.343334 Performance: 38.059 ns/day 0.631 hours/ns 2.202 steps/s 2024-05-20 05:42:44,019 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 468200 93640 69.588 -28460 7626.9 -36087 -36087 4.006 -11.054 1.1067 8.875e+05 2024-05-20 05:43:16,838 INFO [main.py:798]
{rank 0/64} MD step = 468300 step time: 00:00:00.329722 Performance: 38.059 ns/day 0.631 hours/ns 2.202 steps/s 2024-05-20 05:43:25,621 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 468300 93660 69.463 -28403 7613.2 -36016 -36016 4.0057 -11.051 1.1052 8.8768e+05 2024-05-20 05:43:58,240 INFO [main.py:798]
{rank 0/64} MD step = 468400 step time: 00:00:00.325912 Performance: 38.059 ns/day 0.631 hours/ns 2.203 steps/s 2024-05-20 05:44:16,415 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 468400 93680 69.469 -28445 7613.9 -36059 -36059 4.0051 -11.048 1.1056 8.8785e+05 2024-05-20 05:44:49,117 INFO [main.py:798]
{rank 0/64} MD step = 468500 step time: 00:00:00.329881 Performance: 38.058 ns/day 0.631 hours/ns 2.202 steps/s 2024-05-20 05:45:03,558 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 468500 93700 70.046 -28335 7677.1 -36012 -36012 4.003 -11.045 1.1053 8.88e+05 2024-05-20 05:45:36,596 INFO [main.py:798]
{rank 0/64} MD step = 468600 step time: 00:00:00.332925 Performance: 38.058 ns/day 0.631 hours/ns 2.202 steps/s 2024-05-20 05:45:48,912 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 468600 93720 70.799 -28230 7759.6 -35989 -35989 4.0024 -11.042 1.1045 8.8826e+05 2024-05-20 05:46:21,460 INFO [main.py:798]
{rank 0/64} MD step = 468700 step time: 00:00:00.326758 Performance: 38.058 ns/day 0.631 hours/ns 2.202 steps/s 2024-05-20 05:46:30,416 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 468700 93740 70.012 -28374 7673.4 -36047 -36047 4.0024 -11.041 1.104 8.8842e+05 2024-05-20 05:47:02,908 INFO [main.py:798]
{rank 0/64} MD step = 468800 step time: 00:00:00.327860 Performance: 38.059 ns/day 0.631 hours/ns 2.202 steps/s 2024-05-20 05:47:12,123 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 468800 93760 70.164 -28353 7690 -36043 -36043 4.0011 -11.039 1.1045 8.886e+05 2024-05-20 05:47:46,114 INFO [main.py:798]
{rank 0/64} MD step = 468900 step time: 00:00:00.344652 Performance: 38.059 ns/day 0.631 hours/ns 2.203 steps/s 2024-05-20 05:48:02,942 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 468900 93780 70.57 -28213 7734.5 -35947 -35947 4.0014 -11.037 1.1026 8.8882e+05 2024-05-20 05:48:35,654 INFO [main.py:798]
{rank 0/64} MD step = 469000 step time: 00:00:00.326802 Performance: 38.058 ns/day 0.631 hours/ns 2.202 steps/s 2024-05-20 05:48:43,812 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469000 93800 69.988 -28217 7670.8 -35887 -35887 4.0018 -11.036 1.1038 8.8904e+05 2024-05-20 05:49:16,445 INFO [main.py:798]
{rank 0/64} MD step = 469100 step time: 00:00:00.329514 Performance: 38.059 ns/day 0.631 hours/ns 2.203 steps/s 2024-05-20 05:49:23,309 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469100 93820 70.326 -28379 7707.9 -36087 -36087 4.0026 -11.035 1.1041 8.8918e+05 2024-05-20 05:49:55,880 INFO [main.py:798]
{rank 0/64} MD step = 469200 step time: 00:00:00.326243 Performance: 38.060 ns/day 0.631 hours/ns 2.203 steps/s 2024-05-20 05:50:07,109 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469200 93840 69.409 -28290 7607.3 -35897 -35897 4.0017 -11.033 1.1041 8.8941e+05 2024-05-20 05:50:39,597 INFO [main.py:798]
{rank 0/64} MD step = 469300 step time: 00:00:00.329432 Performance: 38.061 ns/day 0.631 hours/ns 2.203 steps/s 2024-05-20 05:50:49,807 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469300 93860 69.704 -28470 7639.7 -36110 -36110 4.0015 -11.032 1.105 8.8961e+05 2024-05-20 05:51:22,455 INFO [main.py:798]
{rank 0/64} MD step = 469400 step time: 00:00:00.331460 Performance: 38.061 ns/day 0.631 hours/ns 2.203 steps/s 2024-05-20 05:51:30,122 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469400 93880 70.256 -28325 7700.1 -36025 -36025 4.0006 -11.032 1.1059 8.8977e+05 2024-05-20 05:52:03,675 INFO [main.py:798]
{rank 0/64} MD step = 469500 step time: 00:00:00.330503 Performance: 38.062 ns/day 0.631 hours/ns 2.203 steps/s 2024-05-20 05:52:12,642 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469500 93900 70.822 -28243 7762.2 -36005 -36005 4.0006 -11.03 1.1062 8.8996e+05 2024-05-20 05:52:45,478 INFO [main.py:798]
{rank 0/64} MD step = 469600 step time: 00:00:00.328305 Performance: 38.063 ns/day 0.631 hours/ns 2.203 steps/s 2024-05-20 05:52:54,657 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469600 93920 70.601 -28314 7738 -36052 -36052 3.9991 -11.029 1.1065 8.9014e+05 2024-05-20 05:53:29,139 INFO [main.py:798]
{rank 0/64} MD step = 469700 step time: 00:00:00.340750 Performance: 38.063 ns/day 0.631 hours/ns 2.203 steps/s 2024-05-20 05:53:37,070 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469700 93940 70.826 -28242 7762.6 -36004 -36004 3.9977 -11.027 1.1067 8.9033e+05 2024-05-20 05:54:09,557 INFO [main.py:798]
{rank 0/64} MD step = 469800 step time: 00:00:00.327595 Performance: 38.064 ns/day 0.631 hours/ns 2.203 steps/s 2024-05-20 05:54:18,294 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469800 93960 70.208 -28371 7694.8 -36066 -36066 3.9984 -11.025 1.1088 8.9051e+05 2024-05-20 05:54:51,363 INFO [main.py:798]
{rank 0/64} MD step = 469900 step time: 00:00:00.331202 Performance: 38.064 ns/day 0.631 hours/ns 2.203 steps/s 2024-05-20 05:54:57,852 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469900 93980 70.103 -28283 7683.4 -35967 -35967 3.998 -11.023 1.1092 8.9074e+05 2024-05-20 05:55:30,549 INFO [main.py:798]
{rank 0/64} MD step = 470000 step time: 00:00:00.330006 Performance: 38.065 ns/day 0.630 hours/ns 2.203 steps/s 2024-05-20 05:55:36,506 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470000 94000 69.95 -28310 7666.6 -35977 -35977 3.9983 -11.022 1.1105 8.9092e+05 2024-05-20 05:56:08,955 INFO [main.py:798]
{rank 0/64} MD step = 470100 step time: 00:00:00.327769 Performance: 38.067 ns/day 0.630 hours/ns 2.203 steps/s 2024-05-20 05:56:17,068 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470100 94020 70.124 -28615 7685.6 -36301 -36301 3.9967 -11.02 1.1104 8.9106e+05 2024-05-20 05:56:49,656 INFO [main.py:798]
{rank 0/64} MD step = 470200 step time: 00:00:00.326428 Performance: 38.068 ns/day 0.630 hours/ns 2.203 steps/s 2024-05-20 05:56:56,545 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470200 94040 70.821 -28311 7762 -36073 -36073 3.995 -11.02 1.1108 8.9125e+05 2024-05-20 05:57:29,208 INFO [main.py:798]
{rank 0/64} MD step = 470300 step time: 00:00:00.330521 Performance: 38.069 ns/day 0.630 hours/ns 2.203 steps/s 2024-05-20 05:57:35,586 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470300 94060 70.004 -28295 7672.6 -35967 -35967 3.9959 -11.019 1.112 8.9144e+05 2024-05-20 05:58:08,329 INFO [main.py:798]
{rank 0/64} MD step = 470400 step time: 00:00:00.330973 Performance: 38.070 ns/day 0.630 hours/ns 2.203 steps/s 2024-05-20 05:58:17,680 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470400 94080 70.362 -28256 7711.7 -35968 -35968 3.9939 -11.018 1.1122 8.9162e+05 2024-05-20 05:58:50,331 INFO [main.py:798]
{rank 0/64} MD step = 470500 step time: 00:00:00.328596 Performance: 38.070 ns/day 0.630 hours/ns 2.203 steps/s 2024-05-20 05:58:58,686 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470500 94100 68.575 -28519 7515.9 -36035 -36035 3.9926 -11.016 1.1113 8.918e+05 2024-05-20 05:59:31,241 INFO [main.py:798]
{rank 0/64} MD step = 470600 step time: 00:00:00.329731 Performance: 38.071 ns/day 0.630 hours/ns 2.203 steps/s 2024-05-20 05:59:39,923 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470600 94120 69.921 -28588 7663.5 -36252 -36252 3.993 -11.015 1.1143 8.9195e+05 2024-05-20 06:00:16,374 INFO [main.py:798]
{rank 0/64} MD step = 470700 step time: 00:00:00.341660 Performance: 38.071 ns/day 0.630 hours/ns 2.203 steps/s 2024-05-20 06:00:23,553 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470700 94140 70.914 -28252 7772.3 -36024 -36024 3.9913 -11.017 1.1152 8.9218e+05 2024-05-20 06:00:56,151 INFO [main.py:798]
{rank 0/64} MD step = 470800 step time: 00:00:00.327867 Performance: 38.072 ns/day 0.630 hours/ns 2.203 steps/s 2024-05-20 06:01:05,293 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470800 94160 70.019 -28445 7674.2 -36119 -36119 3.9912 -11.018 1.1142 8.9234e+05 2024-05-20 06:01:38,581 INFO [main.py:798]
{rank 0/64} MD step = 470900 step time: 00:00:00.328666 Performance: 38.073 ns/day 0.630 hours/ns 2.203 steps/s 2024-05-20 06:01:48,351 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470900 94180 71.581 -28289 7845.4 -36134 -36134 3.9916 -11.016 1.1157 8.9255e+05 2024-05-20 06:02:21,174 INFO [main.py:798]
{rank 0/64} MD step = 471000 step time: 00:00:00.326256 Performance: 38.073 ns/day 0.630 hours/ns 2.203 steps/s 2024-05-20 06:02:29,025 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471000 94200 69.903 -28334 7661.5 -35996 -35996 3.9903 -11.014 1.116 8.9274e+05 2024-05-20 06:03:02,560 INFO [main.py:798]
{rank 0/64} MD step = 471100 step time: 00:00:00.342856 Performance: 38.074 ns/day 0.630 hours/ns 2.203 steps/s 2024-05-20 06:03:12,652 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471100 94220 69.921 -28346 7663.4 -36010 -36010 3.9894 -11.014 1.1171 8.9293e+05 2024-05-20 06:03:45,510 INFO [main.py:798]
{rank 0/64} MD step = 471200 step time: 00:00:00.329073 Performance: 38.074 ns/day 0.630 hours/ns 2.203 steps/s 2024-05-20 06:03:54,003 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471200 94240 69.98 -28451 7669.9 -36121 -36121 3.9901 -11.011 1.1182 8.9309e+05 2024-05-20 06:04:26,994 INFO [main.py:798]
{rank 0/64} MD step = 471300 step time: 00:00:00.326308 Performance: 38.075 ns/day 0.630 hours/ns 2.203 steps/s 2024-05-20 06:04:34,911 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471300 94260 69.651 -28349 7633.9 -35983 -35983 3.9908 -11.012 1.1188 8.9333e+05 2024-05-20 06:05:07,791 INFO [main.py:798]
{rank 0/64} MD step = 471400 step time: 00:00:00.327294 Performance: 38.076 ns/day 0.630 hours/ns 2.203 steps/s 2024-05-20 06:05:15,587 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471400 94280 70.75 -28450 7754.3 -36204 -36204 3.9909 -11.012 1.1192 8.9344e+05 2024-05-20 06:05:48,150 INFO [main.py:798]
{rank 0/64} MD step = 471500 step time: 00:00:00.327535 Performance: 38.077 ns/day 0.630 hours/ns 2.204 steps/s 2024-05-20 06:05:55,313 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471500 94300 70.287 -28311 7703.6 -36014 -36014 3.9907 -11.011 1.119 8.9368e+05 2024-05-20 06:06:28,061 INFO [main.py:798]
{rank 0/64} MD step = 471600 step time: 00:00:00.327422 Performance: 38.078 ns/day 0.630 hours/ns 2.204 steps/s 2024-05-20 06:06:34,708 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471600 94320 70.479 -28348 7724.6 -36072 -36072 3.9907 -11.013 1.1193 8.9386e+05 2024-05-20 06:07:07,296 INFO [main.py:798]
{rank 0/64} MD step = 471700 step time: 00:00:00.325877 Performance: 38.079 ns/day 0.630 hours/ns 2.204 steps/s 2024-05-20 06:07:13,436 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471700 94340 70.676 -28337 7746.2 -36083 -36083 3.9914 -11.012 1.1201 8.9401e+05 2024-05-20 06:07:48,630 INFO [main.py:798]
{rank 0/64} MD step = 471800 step time: 00:00:00.327242 Performance: 38.080 ns/day 0.630 hours/ns 2.204 steps/s 2024-05-20 06:07:57,133 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471800 94360 70.141 -28245 7687.5 -35933 -35933 3.9916 -11.01 1.1202 8.942e+05 2024-05-20 06:08:29,642 INFO [main.py:798]
{rank 0/64} MD step = 471900 step time: 00:00:00.325651 Performance: 38.080 ns/day 0.630 hours/ns 2.204 steps/s 2024-05-20 06:08:38,264 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471900 94380 70.714 -28172 7750.4 -35923 -35923 3.9941 -11.01 1.1219 8.9443e+05 2024-05-20 06:09:11,170 INFO [main.py:798]
{rank 0/64} MD step = 472000 step time: 00:00:00.328049 Performance: 38.081 ns/day 0.630 hours/ns 2.204 steps/s 2024-05-20 06:09:28,738 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 472000 94400 69.348 -28454 7600.6 -36054 -36054 3.9923 -11.012 1.1236 8.9459e+05 2024-05-20 06:10:01,317 INFO [main.py:798]
{rank 0/64} MD step = 472100 step time: 00:00:00.326809 Performance: 38.080 ns/day 0.630 hours/ns 2.204 steps/s 2024-05-20 06:10:08,062 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 472100 94420 69.65 -28294 7633.7 -35927 -35927 3.9906 -11.012 1.1249 8.9481e+05 2024-05-20 06:10:41,643 INFO [main.py:798]
{rank 0/64} MD step = 472200 step time: 00:00:00.326132 Performance: 38.081 ns/day 0.630 hours/ns 2.204 steps/s 2024-05-20 06:10:49,705 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 472200 94440 69.667 -28309 7635.6 -35944 -35944 3.9916 -11.013 1.1269 8.95e+05 2024-05-20 06:11:22,271 INFO [main.py:798]
{rank 0/64} MD step = 472300 step time: 00:00:00.327716 Performance: 38.082 ns/day 0.630 hours/ns 2.204 steps/s 2024-05-20 06:11:29,685 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 472300 94460 69.249 -28535 7589.7 -36124 -36124 3.9904 -11.014 1.1283 8.9513e+05 2024-05-20 06:12:02,517 INFO [main.py:798]
{rank 0/64} MD step = 472400 step time: 00:00:00.326043 Performance: 38.083 ns/day 0.630 hours/ns 2.204 steps/s 2024-05-20 06:12:09,121 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 472400 94480 69.794 -28277 7649.5 -35926 -35926 3.9881 -11.013 1.1307 8.9537e+05 2024-05-20 06:12:41,765 INFO [main.py:798]
{rank 0/64} MD step = 472500 step time: 00:00:00.331180 Performance: 38.084 ns/day 0.630 hours/ns 2.204 steps/s 2024-05-20 06:12:51,730 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 472500 94500 69.588 -28423 7626.9 -36050 -36050 3.9883 -11.013 1.1324 8.9556e+05 2024-05-20 06:13:25,753 INFO [main.py:798]
{rank 0/64} MD step = 472600 step time: 00:00:00.340720 Performance: 38.084 ns/day 0.630 hours/ns 2.204 steps/s 2024-05-20 06:13:34,673 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 472600 94520 68.62 -28589 7520.8 -36110 -36110 3.9879 -11.013 1.1339 8.9575e+05 2024-05-20 06:14:08,125 INFO [main.py:798]
{rank 0/64} MD step = 472700 step time: 00:00:00.325330 Performance: 38.085 ns/day 0.630 hours/ns 2.204 steps/s 2024-05-20 06:14:17,931 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 472700 94540 70.021 -28512 7674.4 -36186 -36186 3.9866 -11.013 1.1342 8.9595e+05 2024-05-20 06:14:50,484 INFO [main.py:798]
{rank 0/64} MD step = 472800 step time: 00:00:00.326492 Performance: 38.085 ns/day 0.630 hours/ns 2.204 steps/s 2024-05-20 06:14:56,271 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 472800 94560 69.081 -28586 7571.3 -36158 -36158 3.9864 -11.014 1.1359 8.9613e+05 2024-05-20 06:15:32,484 INFO [main.py:798]
{rank 0/64} MD step = 472900 step time: 00:00:00.340939 Performance: 38.086 ns/day 0.630 hours/ns 2.204 steps/s 2024-05-20 06:15:39,595 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 472900 94580 70.166 -28275 7690.3 -35965 -35965 3.9864 -11.017 1.135 8.9636e+05 2024-05-20 06:16:12,182 INFO [main.py:798]
{rank 0/64} MD step = 473000 step time: 00:00:00.326863 Performance: 38.087 ns/day 0.630 hours/ns 2.204 steps/s 2024-05-20 06:16:21,360 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 473000 94600 69.693 -28292 7638.5 -35930 -35930 3.9859 -11.019 1.1349 8.9655e+05 2024-05-20 06:16:54,007 INFO [main.py:798]
{rank 0/64} MD step = 473100 step time: 00:00:00.325554 Performance: 38.087 ns/day 0.630 hours/ns 2.204 steps/s 2024-05-20 06:17:03,658 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 473100 94620 70.31 -28202 7706.1 -35908 -35908 3.9876 -11.021 1.1348 8.9675e+05 2024-05-20 06:17:36,275 INFO [main.py:798]
{rank 0/64} MD step = 473200 step time: 00:00:00.330576 Performance: 38.088 ns/day 0.630 hours/ns 2.204 steps/s 2024-05-20 06:17:44,753 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 473200 94640 70.197 -28176 7693.7 -35870 -35870 3.9878 -11.022 1.1351 8.9697e+05 2024-05-20 06:18:17,494 INFO [main.py:798]
{rank 0/64} MD step = 473300 step time: 00:00:00.325930 Performance: 38.089 ns/day 0.630 hours/ns 2.204 steps/s 2024-05-20 06:18:24,835 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 473300 94660 69.778 -28307 7647.8 -35955 -35955 3.9868 -11.021 1.1355 8.9717e+05 2024-05-20 06:18:57,323 INFO [main.py:798]
{rank 0/64} MD step = 473400 step time: 00:00:00.328954 Performance: 38.090 ns/day 0.630 hours/ns 2.204 steps/s 2024-05-20 06:19:06,681 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 473400 94680 70.168 -28167 7690.5 -35857 -35857 3.9875 -11.021 1.1362 8.9734e+05 2024-05-20 06:19:39,316 INFO [main.py:798]
{rank 0/64} MD step = 473500 step time: 00:00:00.329676 Performance: 38.090 ns/day 0.630 hours/ns 2.204 steps/s 2024-05-20 06:19:54,725 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 473500 94700 69.745 -28426 7644.2 -36070 -36070 3.9872 -11.022 1.1367 8.9753e+05 2024-05-20 06:20:31,203 INFO [main.py:798]
{rank 0/64} MD step = 473600 step time: 00:00:00.329332 Performance: 38.089 ns/day 0.630 hours/ns 2.204 steps/s 2024-05-20 06:20:37,935 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 473600 94720 70.285 -28468 7703.4 -36171 -36171 3.9865 -11.019 1.1357 8.9772e+05 2024-05-20 06:21:10,624 INFO [main.py:798]
{rank 0/64} MD step = 473700 step time: 00:00:00.330488 Performance: 38.090 ns/day 0.630 hours/ns 2.204 steps/s 2024-05-20 06:21:15,266 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 473700 94740 69.357 -28338 7601.7 -35939 -35939 3.9862 -11.019 1.137 8.9792e+05 2024-05-20 06:21:50,055 INFO [main.py:798]
{rank 0/64} MD step = 473800 step time: 00:00:00.328698 Performance: 38.091 ns/day 0.630 hours/ns 2.204 steps/s 2024-05-20 06:21:56,192 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 473800 94760 69.809 -28363 7651.2 -36014 -36014 3.9864 -11.019 1.1384 8.9813e+05 2024-05-20 06:22:28,736 INFO [main.py:798]
{rank 0/64} MD step = 473900 step time: 00:00:00.328625 Performance: 38.092 ns/day 0.630 hours/ns 2.204 steps/s 2024-05-20 06:22:35,578 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 473900 94780 70.808 -28260 7760.6 -36021 -36021 3.9864 -11.02 1.1392 8.9827e+05 2024-05-20 06:23:08,240 INFO [main.py:798]
{rank 0/64} MD step = 474000 step time: 00:00:00.325903 Performance: 38.093 ns/day 0.630 hours/ns 2.204 steps/s 2024-05-20 06:23:15,057 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474000 94800 68.205 -28805 7475.4 -36281 -36281 3.9858 -11.023 1.1376 8.9844e+05 2024-05-20 06:23:48,139 INFO [main.py:798]
{rank 0/64} MD step = 474100 step time: 00:00:00.326481 Performance: 38.094 ns/day 0.630 hours/ns 2.205 steps/s 2024-05-20 06:23:58,341 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474100 94820 71.06 -28260 7788.2 -36048 -36048 3.9875 -11.026 1.1382 8.9866e+05 2024-05-20 06:24:32,589 INFO [main.py:798]
{rank 0/64} MD step = 474200 step time: 00:00:00.341252 Performance: 38.095 ns/day 0.630 hours/ns 2.205 steps/s 2024-05-20 06:24:40,111 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474200 94840 69.368 -28486 7602.8 -36089 -36089 3.9855 -11.029 1.1388 8.9881e+05 2024-05-20 06:25:12,794 INFO [main.py:798]
{rank 0/64} MD step = 474300 step time: 00:00:00.330881 Performance: 38.095 ns/day 0.630 hours/ns 2.205 steps/s 2024-05-20 06:25:20,007 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474300 94860 70.048 -28324 7677.3 -36001 -36001 3.9867 -11.028 1.1378 8.9905e+05 2024-05-20 06:25:53,424 INFO [main.py:798]
{rank 0/64} MD step = 474400 step time: 00:00:00.343092 Performance: 38.096 ns/day 0.630 hours/ns 2.205 steps/s 2024-05-20 06:26:00,240 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474400 94880 70.657 -28302 7744 -36046 -36046 3.9861 -11.029 1.1375 8.9925e+05 2024-05-20 06:26:33,050 INFO [main.py:798]
{rank 0/64} MD step = 474500 step time: 00:00:00.330920 Performance: 38.097 ns/day 0.630 hours/ns 2.205 steps/s 2024-05-20 06:26:38,389 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474500 94900 69.933 -28248 7664.7 -35913 -35913 3.9852 -11.03 1.1371 8.9945e+05 2024-05-20 06:27:13,053 INFO [main.py:798]
{rank 0/64} MD step = 474600 step time: 00:00:00.329228 Performance: 38.098 ns/day 0.630 hours/ns 2.205 steps/s 2024-05-20 06:27:19,784 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474600 94920 70.333 -28453 7708.6 -36162 -36162 3.9855 -11.031 1.1383 8.996e+05 2024-05-20 06:27:52,507 INFO [main.py:798]
{rank 0/64} MD step = 474700 step time: 00:00:00.325950 Performance: 38.099 ns/day 0.630 hours/ns 2.205 steps/s 2024-05-20 06:28:01,459 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474700 94940 70.637 -28473 7741.9 -36214 -36214 3.9858 -11.033 1.1386 8.9981e+05 2024-05-20 06:28:33,970 INFO [main.py:798]
{rank 0/64} MD step = 474800 step time: 00:00:00.328860 Performance: 38.100 ns/day 0.630 hours/ns 2.205 steps/s 2024-05-20 06:28:38,217 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474800 94960 69.53 -28496 7620.6 -36117 -36117 3.9859 -11.035 1.1403 9.0002e+05 2024-05-20 06:29:12,546 INFO [main.py:798]
{rank 0/64} MD step = 474900 step time: 00:00:00.329695 Performance: 38.101 ns/day 0.630 hours/ns 2.205 steps/s 2024-05-20 06:29:19,736 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474900 94980 69.517 -28509 7619.2 -36128 -36128 3.9861 -11.036 1.1413 9.002e+05 2024-05-20 06:29:52,653 INFO [main.py:798]
{rank 0/64} MD step = 475000 step time: 00:00:00.331543 Performance: 38.102 ns/day 0.630 hours/ns 2.205 steps/s 2024-05-20 06:30:02,340 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 475000 95000 69.565 -28403 7624.4 -36028 -36028 3.9836 -11.034 1.1415 9.0041e+05 2024-05-20 06:30:35,366 INFO [main.py:798]
{rank 0/64} MD step = 475100 step time: 00:00:00.330114 Performance: 38.103 ns/day 0.630 hours/ns 2.205 steps/s 2024-05-20 06:30:46,960 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 475100 95020 69.747 -28410 7644.3 -36054 -36054 3.9833 -11.035 1.1423 9.0058e+05 2024-05-20 06:31:19,632 INFO [main.py:798]
{rank 0/64} MD step = 475200 step time: 00:00:00.331534 Performance: 38.103 ns/day 0.630 hours/ns 2.205 steps/s 2024-05-20 06:31:28,533 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 475200 95040 69.426 -28547 7609.2 -36156 -36156 3.9836 -11.036 1.1442 9.008e+05 2024-05-20 06:32:01,084 INFO [main.py:798]
{rank 0/64} MD step = 475300 step time: 00:00:00.341410 Performance: 38.103 ns/day 0.630 hours/ns 2.205 steps/s 2024-05-20 06:32:11,822 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 475300 95060 69.474 -28383 7614.4 -35997 -35997 3.9828 -11.038 1.145 9.0098e+05 2024-05-20 06:32:44,642 INFO [main.py:798]
{rank 0/64} MD step = 475400 step time: 00:00:00.331109 Performance: 38.104 ns/day 0.630 hours/ns 2.205 steps/s 2024-05-20 06:32:55,831 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 475400 95080 70.405 -28363 7716.5 -36079 -36079 3.982 -11.038 1.1448 9.0117e+05 2024-05-20 06:33:28,367 INFO [main.py:798]
{rank 0/64} MD step = 475500 step time: 00:00:00.328914 Performance: 38.104 ns/day 0.630 hours/ns 2.205 steps/s 2024-05-20 06:33:37,340 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 475500 95100 70.377 -28325 7713.4 -36038 -36038 3.9814 -11.039 1.1446 9.0135e+05 2024-05-20 06:34:09,885 INFO [main.py:798]
{rank 0/64} MD step = 475600 step time: 00:00:00.328973 Performance: 38.105 ns/day 0.630 hours/ns 2.205 steps/s 2024-05-20 06:34:16,726 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 475600 95120 70.677 -28230 7746.3 -35976 -35976 3.9812 -11.041 1.1449 9.016e+05 2024-05-20 06:34:49,496 INFO [main.py:798]
{rank 0/64} MD step = 475700 step time: 00:00:00.341067 Performance: 38.106 ns/day 0.630 hours/ns 2.205 steps/s 2024-05-20 06:34:58,241 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 475700 95140 70.666 -28396 7745.1 -36141 -36141 3.9806 -11.04 1.1459 9.0173e+05 2024-05-20 06:35:31,217 INFO [main.py:798]
{rank 0/64} MD step = 475800 step time: 00:00:00.341974 Performance: 38.106 ns/day 0.630 hours/ns 2.205 steps/s 2024-05-20 06:35:37,084 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 475800 95160 69.239 -28468 7588.7 -36057 -36057 3.9813 -11.041 1.1471 9.0192e+05 2024-05-20 06:36:12,025 INFO [main.py:798]
{rank 0/64} MD step = 475900 step time: 00:00:00.331439 Performance: 38.107 ns/day 0.630 hours/ns 2.205 steps/s 2024-05-20 06:36:22,330 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 475900 95180 69.784 -28493 7648.4 -36142 -36142 3.9811 -11.039 1.1476 9.0209e+05 2024-05-20 06:36:55,145 INFO [main.py:798]
{rank 0/64} MD step = 476000 step time: 00:00:00.333407 Performance: 38.108 ns/day 0.630 hours/ns 2.205 steps/s 2024-05-20 06:37:03,067 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476000 95200 69.808 -28476 7651 -36127 -36127 3.9821 -11.039 1.1492 9.023e+05 2024-05-20 06:37:37,070 INFO [main.py:798]
{rank 0/64} MD step = 476100 step time: 00:00:00.325252 Performance: 38.108 ns/day 0.630 hours/ns 2.205 steps/s 2024-05-20 06:37:47,311 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476100 95220 69.783 -28451 7648.3 -36099 -36099 3.9811 -11.038 1.1486 9.0248e+05 2024-05-20 06:38:20,883 INFO [main.py:798]
{rank 0/64} MD step = 476200 step time: 00:00:00.342072 Performance: 38.108 ns/day 0.630 hours/ns 2.205 steps/s 2024-05-20 06:38:24,862 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476200 95240 69.543 -28591 7622.1 -36213 -36213 3.9812 -11.036 1.1495 9.0264e+05 2024-05-20 06:38:57,928 INFO [main.py:798]
{rank 0/64} MD step = 476300 step time: 00:00:00.326706 Performance: 38.110 ns/day 0.630 hours/ns 2.205 steps/s 2024-05-20 06:39:04,724 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476300 95260 69.875 -28519 7658.4 -36177 -36177 3.9825 -11.035 1.1505 9.0283e+05 2024-05-20 06:39:37,326 INFO [main.py:798]
{rank 0/64} MD step = 476400 step time: 00:00:00.328441 Performance: 38.111 ns/day 0.630 hours/ns 2.205 steps/s 2024-05-20 06:39:45,757 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476400 95280 69.67 -28299 7635.9 -35935 -35935 3.9811 -11.034 1.1517 9.0306e+05 2024-05-20 06:40:18,936 INFO [main.py:798]
{rank 0/64} MD step = 476500 step time: 00:00:00.326283 Performance: 38.112 ns/day 0.630 hours/ns 2.206 steps/s 2024-05-20 06:40:26,470 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476500 95300 70.203 -28393 7694.3 -36087 -36087 3.9811 -11.033 1.153 9.0326e+05 2024-05-20 06:40:58,887 INFO [main.py:798]
{rank 0/64} MD step = 476600 step time: 00:00:00.326727 Performance: 38.113 ns/day 0.630 hours/ns 2.206 steps/s 2024-05-20 06:41:06,297 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476600 95320 69.755 -28539 7645.3 -36184 -36184 3.9819 -11.032 1.1558 9.0339e+05 2024-05-20 06:41:39,021 INFO [main.py:798]
{rank 0/64} MD step = 476700 step time: 00:00:00.342105 Performance: 38.114 ns/day 0.630 hours/ns 2.206 steps/s 2024-05-20 06:41:46,112 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476700 95340 69.884 -28455 7659.4 -36114 -36114 3.9821 -11.03 1.1557 9.0363e+05 2024-05-20 06:42:21,764 INFO [main.py:798]
{rank 0/64} MD step = 476800 step time: 00:00:00.341559 Performance: 38.114 ns/day 0.630 hours/ns 2.206 steps/s 2024-05-20 06:42:28,931 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476800 95360 70.051 -28258 7677.7 -35936 -35936 3.9824 -11.028 1.1561 9.0386e+05 2024-05-20 06:43:01,418 INFO [main.py:798]
{rank 0/64} MD step = 476900 step time: 00:00:00.329540 Performance: 38.115 ns/day 0.630 hours/ns 2.206 steps/s 2024-05-20 06:43:08,493 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476900 95380 70.558 -28361 7733.3 -36094 -36094 3.9841 -11.027 1.1577 9.0402e+05 2024-05-20 06:43:41,185 INFO [main.py:798]
{rank 0/64} MD step = 477000 step time: 00:00:00.328590 Performance: 38.116 ns/day 0.630 hours/ns 2.206 steps/s 2024-05-20 06:43:55,675 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 477000 95400 70.772 -28396 7756.7 -36153 -36153 3.9828 -11.026 1.1566 9.0417e+05 2024-05-20 06:44:28,773 INFO [main.py:798]
{rank 0/64} MD step = 477100 step time: 00:00:00.324802 Performance: 38.116 ns/day 0.630 hours/ns 2.206 steps/s 2024-05-20 06:44:36,030 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 477100 95420 70.325 -28372 7707.7 -36079 -36079 3.9834 -11.025 1.1567 9.0438e+05 2024-05-20 06:45:09,388 INFO [main.py:798]
{rank 0/64} MD step = 477200 step time: 00:00:00.330425 Performance: 38.116 ns/day 0.630 hours/ns 2.206 steps/s 2024-05-20 06:45:16,049 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 477200 95440 70.157 -28189 7689.3 -35878 -35878 3.985 -11.023 1.1584 9.046e+05 2024-05-20 06:45:48,859 INFO [main.py:798]
{rank 0/64} MD step = 477300 step time: 00:00:00.327323 Performance: 38.117 ns/day 0.630 hours/ns 2.206 steps/s 2024-05-20 06:45:54,771 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 477300 95460 69.594 -28418 7627.6 -36046 -36046 3.9844 -11.023 1.1596 9.0479e+05 2024-05-20 06:46:29,491 INFO [main.py:798]
{rank 0/64} MD step = 477400 step time: 00:00:00.331061 Performance: 38.118 ns/day 0.630 hours/ns 2.206 steps/s 2024-05-20 06:46:37,175 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 477400 95480 70.427 -28390 7718.9 -36109 -36109 3.9871 -11.022 1.161 9.0496e+05 2024-05-20 06:47:09,802 INFO [main.py:798]
{rank 0/64} MD step = 477500 step time: 00:00:00.330118 Performance: 38.119 ns/day 0.630 hours/ns 2.206 steps/s 2024-05-20 06:47:18,913 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 477500 95500 70.018 -28494 7674 -36168 -36168 3.9872 -11.023 1.1609 9.0516e+05 2024-05-20 06:47:51,478 INFO [main.py:798]
{rank 0/64} MD step = 477600 step time: 00:00:00.328676 Performance: 38.120 ns/day 0.630 hours/ns 2.206 steps/s 2024-05-20 06:48:06,324 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 477600 95520 70.427 -28314 7718.9 -36033 -36033 3.9875 -11.022 1.1637 9.0537e+05 2024-05-20 06:48:39,104 INFO [main.py:798]
{rank 0/64} MD step = 477700 step time: 00:00:00.328183 Performance: 38.119 ns/day 0.630 hours/ns 2.206 steps/s 2024-05-20 06:48:47,088 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 477700 95540 70.194 -28360 7693.3 -36054 -36054 3.9861 -11.022 1.1638 9.0554e+05 2024-05-20 06:49:19,884 INFO [main.py:798]
{rank 0/64} MD step = 477800 step time: 00:00:00.326037 Performance: 38.120 ns/day 0.630 hours/ns 2.206 steps/s 2024-05-20 06:49:27,344 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 477800 95560 70.88 -28340 7768.6 -36109 -36109 3.9866 -11.02 1.1649 9.0573e+05 2024-05-20 06:50:01,046 INFO [main.py:798]
{rank 0/64} MD step = 477900 step time: 00:00:00.325476 Performance: 38.121 ns/day 0.630 hours/ns 2.206 steps/s 2024-05-20 06:50:09,058 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 477900 95580 70.637 -28397 7741.9 -36139 -36139 3.986 -11.02 1.1661 9.0591e+05 2024-05-20 06:50:44,125 INFO [main.py:798]
{rank 0/64} MD step = 478000 step time: 00:00:00.327750 Performance: 38.121 ns/day 0.630 hours/ns 2.206 steps/s 2024-05-20 06:50:52,398 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478000 95600 69.75 -28469 7644.7 -36114 -36114 3.9867 -11.018 1.1651 9.0612e+05 2024-05-20 06:51:24,959 INFO [main.py:798]
{rank 0/64} MD step = 478100 step time: 00:00:00.339897 Performance: 38.122 ns/day 0.630 hours/ns 2.206 steps/s 2024-05-20 06:51:34,265 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478100 95620 70.341 -28477 7709.4 -36186 -36186 3.9869 -11.017 1.1652 9.063e+05 2024-05-20 06:52:06,748 INFO [main.py:798]
{rank 0/64} MD step = 478200 step time: 00:00:00.326135 Performance: 38.123 ns/day 0.630 hours/ns 2.206 steps/s 2024-05-20 06:52:16,220 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478200 95640 69.78 -28436 7648 -36084 -36084 3.9861 -11.017 1.166 9.0655e+05 2024-05-20 06:52:48,928 INFO [main.py:798]
{rank 0/64} MD step = 478300 step time: 00:00:00.333171 Performance: 38.123 ns/day 0.630 hours/ns 2.206 steps/s 2024-05-20 06:52:58,408 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478300 95660 70.23 -28420 7697.3 -36117 -36117 3.9862 -11.017 1.169 9.067e+05 2024-05-20 06:53:31,048 INFO [main.py:798]
{rank 0/64} MD step = 478400 step time: 00:00:00.328256 Performance: 38.124 ns/day 0.630 hours/ns 2.206 steps/s 2024-05-20 06:53:39,585 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478400 95680 69.737 -28469 7643.3 -36112 -36112 3.9855 -11.016 1.1691 9.0691e+05 2024-05-20 06:54:13,194 INFO [main.py:798]
{rank 0/64} MD step = 478500 step time: 00:00:00.343005 Performance: 38.124 ns/day 0.630 hours/ns 2.206 steps/s 2024-05-20 06:54:20,946 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478500 95700 70.941 -28233 7775.3 -36008 -36008 3.9866 -11.017 1.1699 9.0711e+05 2024-05-20 06:54:53,592 INFO [main.py:798]
{rank 0/64} MD step = 478600 step time: 00:00:00.326873 Performance: 38.125 ns/day 0.630 hours/ns 2.206 steps/s 2024-05-20 06:55:00,057 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478600 95720 70.3 -28379 7705 -36084 -36084 3.9871 -11.019 1.172 9.0729e+05 2024-05-20 06:55:32,693 INFO [main.py:798]
{rank 0/64} MD step = 478700 step time: 00:00:00.331956 Performance: 38.126 ns/day 0.629 hours/ns 2.206 steps/s 2024-05-20 06:55:40,498 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478700 95740 70.62 -28436 7740.1 -36176 -36176 3.9868 -11.019 1.1709 9.0746e+05 2024-05-20 06:56:13,208 INFO [main.py:798]
{rank 0/64} MD step = 478800 step time: 00:00:00.328126 Performance: 38.127 ns/day 0.629 hours/ns 2.206 steps/s 2024-05-20 06:56:20,587 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478800 95760 70.451 -28456 7721.5 -36178 -36178 3.9869 -11.017 1.1728 9.0761e+05 2024-05-20 06:56:53,278 INFO [main.py:798]
{rank 0/64} MD step = 478900 step time: 00:00:00.331494 Performance: 38.128 ns/day 0.629 hours/ns 2.206 steps/s 2024-05-20 06:57:00,441 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478900 95780 70.98 -28193 7779.4 -35972 -35972 3.9884 -11.015 1.1748 9.0783e+05 2024-05-20 06:57:34,278 INFO [main.py:798]
{rank 0/64} MD step = 479000 step time: 00:00:00.342749 Performance: 38.129 ns/day 0.629 hours/ns 2.207 steps/s 2024-05-20 06:57:41,818 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479000 95800 69.796 -28431 7649.7 -36080 -36080 3.989 -11.014 1.1741 9.0804e+05 2024-05-20 06:58:15,399 INFO [main.py:798]
{rank 0/64} MD step = 479100 step time: 00:00:00.332648 Performance: 38.130 ns/day 0.629 hours/ns 2.207 steps/s 2024-05-20 06:58:21,709 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479100 95820 69.51 -28437 7618.4 -36056 -36056 3.9881 -11.014 1.1746 9.0821e+05 2024-05-20 06:58:54,337 INFO [main.py:798]
{rank 0/64} MD step = 479200 step time: 00:00:00.330507 Performance: 38.131 ns/day 0.629 hours/ns 2.207 steps/s 2024-05-20 06:59:01,546 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479200 95840 69.398 -28396 7606.2 -36003 -36003 3.9888 -11.013 1.1759 9.0839e+05 2024-05-20 06:59:34,256 INFO [main.py:798]
{rank 0/64} MD step = 479300 step time: 00:00:00.326399 Performance: 38.132 ns/day 0.629 hours/ns 2.207 steps/s 2024-05-20 06:59:43,666 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479300 95860 69.813 -28410 7651.6 -36061 -36061 3.9877 -11.012 1.1783 9.0858e+05 2024-05-20 07:00:16,960 INFO [main.py:798]
{rank 0/64} MD step = 479400 step time: 00:00:00.331893 Performance: 38.132 ns/day 0.629 hours/ns 2.207 steps/s 2024-05-20 07:00:24,081 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479400 95880 68.495 -28368 7507.2 -35875 -35875 3.9881 -11.011 1.1799 9.0883e+05 2024-05-20 07:00:57,155 INFO [main.py:798]
{rank 0/64} MD step = 479500 step time: 00:00:00.343318 Performance: 38.133 ns/day 0.629 hours/ns 2.207 steps/s 2024-05-20 07:01:02,812 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479500 95900 70.379 -28157 7713.7 -35871 -35871 3.9874 -11.01 1.1794 9.0904e+05 2024-05-20 07:01:36,919 INFO [main.py:798]
{rank 0/64} MD step = 479600 step time: 00:00:00.326910 Performance: 38.134 ns/day 0.629 hours/ns 2.207 steps/s 2024-05-20 07:01:44,336 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479600 95920 69.895 -28239 7660.6 -35900 -35900 3.9881 -11.01 1.1788 9.0922e+05 2024-05-20 07:02:18,476 INFO [main.py:798]
{rank 0/64} MD step = 479700 step time: 00:00:00.343876 Performance: 38.135 ns/day 0.629 hours/ns 2.207 steps/s 2024-05-20 07:02:27,634 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479700 95940 70.575 -28157 7735.1 -35892 -35892 3.9884 -11.011 1.1803 9.0942e+05 2024-05-20 07:03:00,249 INFO [main.py:798]
{rank 0/64} MD step = 479800 step time: 00:00:00.325989 Performance: 38.135 ns/day 0.629 hours/ns 2.207 steps/s 2024-05-20 07:03:09,400 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479800 95960 70.834 -28287 7763.5 -36050 -36050 3.9875 -11.012 1.1822 9.0958e+05 2024-05-20 07:03:42,056 INFO [main.py:798]
{rank 0/64} MD step = 479900 step time: 00:00:00.330455 Performance: 38.136 ns/day 0.629 hours/ns 2.207 steps/s 2024-05-20 07:03:51,724 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479900 95980 68.762 -28298 7536.5 -35834 -35834 3.9879 -11.012 1.1821 9.0979e+05 2024-05-20 07:04:29,586 INFO [main.py:798]
{rank 0/64} MD step = 480000 step time: 00:00:00.327035 Performance: 38.136 ns/day 0.629 hours/ns 2.207 steps/s 2024-05-20 07:04:39,842 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480000 96000 69.634 -28293 7632 -35925 -35925 3.9862 -11.013 1.184 9.0998e+05 2024-05-20 07:05:12,608 INFO [main.py:798]
{rank 0/64} MD step = 480100 step time: 00:00:00.329575 Performance: 38.136 ns/day 0.629 hours/ns 2.207 steps/s 2024-05-20 07:05:21,767 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480100 96020 71.072 -28097 7789.6 -35886 -35886 3.9876 -11.014 1.1848 9.1019e+05 2024-05-20 07:05:54,475 INFO [main.py:798]
{rank 0/64} MD step = 480200 step time: 00:00:00.330189 Performance: 38.137 ns/day 0.629 hours/ns 2.207 steps/s 2024-05-20 07:06:03,104 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480200 96040 70.262 -28113 7700.8 -35814 -35814 3.9896 -11.015 1.1867 9.104e+05 2024-05-20 07:06:38,124 INFO [main.py:798]
{rank 0/64} MD step = 480300 step time: 00:00:00.343937 Performance: 38.137 ns/day 0.629 hours/ns 2.207 steps/s 2024-05-20 07:06:48,103 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480300 96060 70.857 -28198 7766 -35964 -35964 3.9895 -11.015 1.1881 9.1056e+05 2024-05-20 07:07:20,657 INFO [main.py:798]
{rank 0/64} MD step = 480400 step time: 00:00:00.325872 Performance: 38.137 ns/day 0.629 hours/ns 2.207 steps/s 2024-05-20 07:07:27,875 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480400 96080 70.241 -28199 7698.5 -35897 -35897 3.9914 -11.019 1.1897 9.1076e+05 2024-05-20 07:08:00,657 INFO [main.py:798]
{rank 0/64} MD step = 480500 step time: 00:00:00.327265 Performance: 38.138 ns/day 0.629 hours/ns 2.207 steps/s 2024-05-20 07:08:07,827 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480500 96100 69.875 -28464 7658.4 -36122 -36122 3.9908 -11.022 1.191 9.1089e+05 2024-05-20 07:08:40,321 INFO [main.py:798]
{rank 0/64} MD step = 480600 step time: 00:00:00.327106 Performance: 38.139 ns/day 0.629 hours/ns 2.207 steps/s 2024-05-20 07:08:46,824 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480600 96120 68.408 -28458 7497.6 -35955 -35955 3.9907 -11.027 1.1927 9.1111e+05 2024-05-20 07:09:19,878 INFO [main.py:798]
{rank 0/64} MD step = 480700 step time: 00:00:00.341119 Performance: 38.140 ns/day 0.629 hours/ns 2.207 steps/s 2024-05-20 07:09:28,865 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480700 96140 69.675 -28463 7636.5 -36100 -36100 3.9902 -11.03 1.1928 9.1125e+05 2024-05-20 07:10:02,096 INFO [main.py:798]
{rank 0/64} MD step = 480800 step time: 00:00:00.342636 Performance: 38.141 ns/day 0.629 hours/ns 2.207 steps/s 2024-05-20 07:10:09,446 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480800 96160 69.911 -28376 7662.4 -36038 -36038 3.9904 -11.031 1.1932 9.1148e+05 2024-05-20 07:10:42,318 INFO [main.py:798]
{rank 0/64} MD step = 480900 step time: 00:00:00.329645 Performance: 38.142 ns/day 0.629 hours/ns 2.207 steps/s 2024-05-20 07:10:48,909 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480900 96180 70.336 -28226 7708.9 -35935 -35935 3.9897 -11.031 1.1937 9.1167e+05 2024-05-20 07:11:21,865 INFO [main.py:798]
{rank 0/64} MD step = 481000 step time: 00:00:00.328503 Performance: 38.143 ns/day 0.629 hours/ns 2.207 steps/s 2024-05-20 07:11:29,933 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 481000 96200 70.093 -28428 7682.2 -36111 -36111 3.9904 -11.03 1.1949 9.1184e+05 2024-05-20 07:12:02,413 INFO [main.py:798]
{rank 0/64} MD step = 481100 step time: 00:00:00.329660 Performance: 38.144 ns/day 0.629 hours/ns 2.207 steps/s 2024-05-20 07:12:08,842 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 481100 96220 70.088 -28422 7681.7 -36104 -36104 3.9913 -11.029 1.1971 9.1206e+05 2024-05-20 07:12:41,618 INFO [main.py:798]
{rank 0/64} MD step = 481200 step time: 00:00:00.330222 Performance: 38.145 ns/day 0.629 hours/ns 2.207 steps/s 2024-05-20 07:12:48,654 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 481200 96240 70.76 -28202 7755.4 -35957 -35957 3.9909 -11.028 1.1981 9.1229e+05 2024-05-20 07:13:22,161 INFO [main.py:798]
{rank 0/64} MD step = 481300 step time: 00:00:00.344596 Performance: 38.145 ns/day 0.629 hours/ns 2.207 steps/s 2024-05-20 07:13:29,500 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 481300 96260 69.5 -28359 7617.3 -35977 -35977 3.9894 -11.027 1.1992 9.1244e+05 2024-05-20 07:14:02,275 INFO [main.py:798]
{rank 0/64} MD step = 481400 step time: 00:00:00.330701 Performance: 38.146 ns/day 0.629 hours/ns 2.208 steps/s 2024-05-20 07:14:06,366 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 481400 96280 69.935 -28359 7665 -36024 -36024 3.989 -11.026 1.2001 9.1264e+05 2024-05-20 07:14:41,196 INFO [main.py:798]
{rank 0/64} MD step = 481500 step time: 00:00:00.341580 Performance: 38.147 ns/day 0.629 hours/ns 2.208 steps/s 2024-05-20 07:14:46,949 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 481500 96300 71.168 -28331 7800.1 -36131 -36131 3.9896 -11.025 1.2015 9.1281e+05 2024-05-20 07:15:19,802 INFO [main.py:798]
{rank 0/64} MD step = 481600 step time: 00:00:00.330930 Performance: 38.149 ns/day 0.629 hours/ns 2.208 steps/s 2024-05-20 07:15:28,317 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 481600 96320 70.365 -28419 7712.1 -36132 -36132 3.9893 -11.023 1.202 9.1299e+05 2024-05-20 07:16:00,919 INFO [main.py:798]
{rank 0/64} MD step = 481700 step time: 00:00:00.325558 Performance: 38.149 ns/day 0.629 hours/ns 2.208 steps/s 2024-05-20 07:16:06,268 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 481700 96340 69.798 -28296 7649.9 -35946 -35946 3.9884 -11.023 1.2025 9.1325e+05 2024-05-20 07:16:38,882 INFO [main.py:798]
{rank 0/64} MD step = 481800 step time: 00:00:00.330053 Performance: 38.151 ns/day 0.629 hours/ns 2.208 steps/s 2024-05-20 07:16:45,569 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 481800 96360 69.549 -28265 7622.7 -35888 -35888 3.9885 -11.023 1.2033 9.1343e+05 2024-05-20 07:17:18,224 INFO [main.py:798]
{rank 0/64} MD step = 481900 step time: 00:00:00.327089 Performance: 38.152 ns/day 0.629 hours/ns 2.208 steps/s 2024-05-20 07:17:23,150 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 481900 96380 69.381 -28272 7604.3 -35877 -35877 3.9881 -11.024 1.2048 9.1359e+05 2024-05-20 07:17:55,541 INFO [main.py:798]
{rank 0/64} MD step = 482000 step time: 00:00:00.324647 Performance: 38.153 ns/day 0.629 hours/ns 2.208 steps/s 2024-05-20 07:18:01,763 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482000 96400 70.177 -28401 7691.4 -36093 -36093 3.9883 -11.026 1.2052 9.1375e+05 2024-05-20 07:18:34,099 INFO [main.py:798]
{rank 0/64} MD step = 482100 step time: 00:00:00.326165 Performance: 38.154 ns/day 0.629 hours/ns 2.208 steps/s 2024-05-20 07:18:40,324 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482100 96420 69.39 -28336 7605.2 -35941 -35941 3.9884 -11.026 1.207 9.1397e+05 2024-05-20 07:19:12,917 INFO [main.py:798]
{rank 0/64} MD step = 482200 step time: 00:00:00.325760 Performance: 38.155 ns/day 0.629 hours/ns 2.208 steps/s 2024-05-20 07:19:18,461 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482200 96440 69.566 -28601 7624.5 -36226 -36226 3.9886 -11.024 1.2066 9.1412e+05 2024-05-20 07:19:50,804 INFO [main.py:798]
{rank 0/64} MD step = 482300 step time: 00:00:00.325618 Performance: 38.157 ns/day 0.629 hours/ns 2.208 steps/s 2024-05-20 07:20:01,786 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482300 96460 70.655 -28093 7743.9 -35837 -35837 3.9889 -11.025 1.2082 9.1432e+05 2024-05-20 07:20:35,693 INFO [main.py:798]
{rank 0/64} MD step = 482400 step time: 00:00:00.325002 Performance: 38.157 ns/day 0.629 hours/ns 2.208 steps/s 2024-05-20 07:20:41,107 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482400 96480 69.595 -28381 7627.7 -36008 -36008 3.9886 -11.027 1.2091 9.1453e+05 2024-05-20 07:21:13,455 INFO [main.py:798]
{rank 0/64} MD step = 482500 step time: 00:00:00.325213 Performance: 38.158 ns/day 0.629 hours/ns 2.208 steps/s 2024-05-20 07:21:19,301 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482500 96500 69.876 -28505 7658.5 -36164 -36164 3.9887 -11.028 1.2106 9.1467e+05 2024-05-20 07:21:51,702 INFO [main.py:798]
{rank 0/64} MD step = 482600 step time: 00:00:00.325595 Performance: 38.159 ns/day 0.629 hours/ns 2.208 steps/s 2024-05-20 07:21:57,642 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482600 96520 70.1 -28321 7683 -36004 -36004 3.9883 -11.031 1.211 9.1489e+05 2024-05-20 07:22:29,904 INFO [main.py:798]
{rank 0/64} MD step = 482700 step time: 00:00:00.324930 Performance: 38.161 ns/day 0.629 hours/ns 2.208 steps/s 2024-05-20 07:22:37,109 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482700 96540 69.615 -28434 7629.9 -36064 -36064 3.9875 -11.034 1.2102 9.1509e+05 2024-05-20 07:23:10,009 INFO [main.py:798]
{rank 0/64} MD step = 482800 step time: 00:00:00.325979 Performance: 38.161 ns/day 0.629 hours/ns 2.208 steps/s 2024-05-20 07:23:16,775 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482800 96560 69.486 -28354 7615.7 -35970 -35970 3.9869 -11.037 1.2102 9.1528e+05 2024-05-20 07:23:49,381 INFO [main.py:798]
{rank 0/64} MD step = 482900 step time: 00:00:00.324817 Performance: 38.162 ns/day 0.629 hours/ns 2.208 steps/s 2024-05-20 07:24:02,672 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482900 96580 70.17 -28177 7690.8 -35868 -35868 3.9874 -11.038 1.2095 9.155e+05 2024-05-20 07:24:35,258 INFO [main.py:798]
{rank 0/64} MD step = 483000 step time: 00:00:00.325490 Performance: 38.162 ns/day 0.629 hours/ns 2.208 steps/s 2024-05-20 07:24:41,408 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483000 96600 69.656 -28425 7634.3 -36060 -36060 3.9873 -11.04 1.2103 9.1568e+05 2024-05-20 07:25:13,817 INFO [main.py:798]
{rank 0/64} MD step = 483100 step time: 00:00:00.325470 Performance: 38.164 ns/day 0.629 hours/ns 2.209 steps/s 2024-05-20 07:25:19,949 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483100 96620 69.427 -28466 7609.3 -36075 -36075 3.9889 -11.041 1.2088 9.1587e+05 2024-05-20 07:25:52,304 INFO [main.py:798]
{rank 0/64} MD step = 483200 step time: 00:00:00.324870 Performance: 38.165 ns/day 0.629 hours/ns 2.209 steps/s 2024-05-20 07:25:59,375 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483200 96640 69.996 -28449 7671.7 -36120 -36120 3.9881 -11.043 1.2089 9.1606e+05 2024-05-20 07:26:31,780 INFO [main.py:798]
{rank 0/64} MD step = 483300 step time: 00:00:00.325450 Performance: 38.166 ns/day 0.629 hours/ns 2.209 steps/s 2024-05-20 07:26:37,557 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483300 96660 70.152 -28473 7688.8 -36162 -36162 3.99 -11.044 1.2099 9.1627e+05 2024-05-20 07:27:10,094 INFO [main.py:798]
{rank 0/64} MD step = 483400 step time: 00:00:00.325457 Performance: 38.167 ns/day 0.629 hours/ns 2.209 steps/s 2024-05-20 07:27:16,165 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483400 96680 70.528 -28387 7729.9 -36117 -36117 3.9889 -11.047 1.2103 9.1643e+05 2024-05-20 07:27:48,570 INFO [main.py:798]
{rank 0/64} MD step = 483500 step time: 00:00:00.325087 Performance: 38.168 ns/day 0.629 hours/ns 2.209 steps/s 2024-05-20 07:27:59,452 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483500 96700 69.802 -28493 7650.4 -36144 -36144 3.9871 -11.049 1.2112 9.1661e+05 2024-05-20 07:28:31,909 INFO [main.py:798]
{rank 0/64} MD step = 483600 step time: 00:00:00.324600 Performance: 38.168 ns/day 0.629 hours/ns 2.209 steps/s 2024-05-20 07:28:36,874 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483600 96720 69.858 -28322 7656.5 -35979 -35979 3.9886 -11.054 1.2129 9.168e+05 2024-05-20 07:29:09,219 INFO [main.py:798]
{rank 0/64} MD step = 483700 step time: 00:00:00.324713 Performance: 38.170 ns/day 0.629 hours/ns 2.209 steps/s 2024-05-20 07:29:15,278 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483700 96740 70.213 -28538 7695.4 -36234 -36234 3.9891 -11.055 1.2125 9.1698e+05 2024-05-20 07:29:48,245 INFO [main.py:798]
{rank 0/64} MD step = 483800 step time: 00:00:00.326415 Performance: 38.171 ns/day 0.629 hours/ns 2.209 steps/s 2024-05-20 07:29:54,359 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483800 96760 70.078 -28293 7680.7 -35973 -35973 3.9892 -11.057 1.2124 9.1717e+05 2024-05-20 07:30:26,726 INFO [main.py:798]
{rank 0/64} MD step = 483900 step time: 00:00:00.324871 Performance: 38.172 ns/day 0.629 hours/ns 2.209 steps/s 2024-05-20 07:30:32,305 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483900 96780 70.89 -28291 7769.7 -36061 -36061 3.9891 -11.06 1.2147 9.1734e+05 2024-05-20 07:31:04,803 INFO [main.py:798]
{rank 0/64} MD step = 484000 step time: 00:00:00.339789 Performance: 38.173 ns/day 0.629 hours/ns 2.209 steps/s 2024-05-20 07:31:10,485 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484000 96800 69.606 -28400 7628.9 -36029 -36029 3.9892 -11.064 1.2151 9.1753e+05 2024-05-20 07:31:42,864 INFO [main.py:798]
{rank 0/64} MD step = 484100 step time: 00:00:00.326371 Performance: 38.175 ns/day 0.629 hours/ns 2.209 steps/s 2024-05-20 07:31:49,179 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484100 96820 70.131 -28347 7686.4 -36033 -36033 3.9902 -11.064 1.2158 9.1773e+05 2024-05-20 07:32:21,476 INFO [main.py:798]
{rank 0/64} MD step = 484200 step time: 00:00:00.326610 Performance: 38.176 ns/day 0.629 hours/ns 2.209 steps/s 2024-05-20 07:32:27,882 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484200 96840 70.008 -28218 7672.9 -35891 -35891 3.9896 -11.062 1.2173 9.1792e+05 2024-05-20 07:33:00,211 INFO [main.py:798]
{rank 0/64} MD step = 484300 step time: 00:00:00.326353 Performance: 38.177 ns/day 0.629 hours/ns 2.209 steps/s 2024-05-20 07:33:05,919 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484300 96860 69.681 -28433 7637.1 -36070 -36070 3.9899 -11.061 1.2162 9.1805e+05 2024-05-20 07:33:38,191 INFO [main.py:798]
{rank 0/64} MD step = 484400 step time: 00:00:00.323917 Performance: 38.178 ns/day 0.629 hours/ns 2.209 steps/s 2024-05-20 07:33:44,140 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484400 96880 69.562 -28416 7624.1 -36040 -36040 3.9891 -11.058 1.2177 9.1826e+05 2024-05-20 07:34:16,538 INFO [main.py:798]
{rank 0/64} MD step = 484500 step time: 00:00:00.324598 Performance: 38.179 ns/day 0.629 hours/ns 2.209 steps/s 2024-05-20 07:34:23,678 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484500 96900 68.736 -28397 7533.6 -35931 -35931 3.9881 -11.059 1.2189 9.1848e+05 2024-05-20 07:34:56,098 INFO [main.py:798]
{rank 0/64} MD step = 484600 step time: 00:00:00.326104 Performance: 38.180 ns/day 0.629 hours/ns 2.210 steps/s 2024-05-20 07:35:02,328 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484600 96920 69.934 -28294 7664.8 -35959 -35959 3.9871 -11.06 1.2209 9.1866e+05 2024-05-20 07:35:35,000 INFO [main.py:798]
{rank 0/64} MD step = 484700 step time: 00:00:00.340027 Performance: 38.181 ns/day 0.629 hours/ns 2.210 steps/s 2024-05-20 07:35:39,119 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484700 96940 70.466 -28244 7723.2 -35968 -35968 3.9872 -11.061 1.2227 9.1884e+05 2024-05-20 07:36:12,688 INFO [main.py:798]
{rank 0/64} MD step = 484800 step time: 00:00:00.326155 Performance: 38.183 ns/day 0.629 hours/ns 2.210 steps/s 2024-05-20 07:36:18,346 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484800 96960 69.738 -28281 7643.4 -35924 -35924 3.9897 -11.062 1.2233 9.1902e+05 2024-05-20 07:36:50,785 INFO [main.py:798]
{rank 0/64} MD step = 484900 step time: 00:00:00.325025 Performance: 38.184 ns/day 0.629 hours/ns 2.210 steps/s 2024-05-20 07:36:56,289 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484900 96980 71.131 -28212 7796.1 -36008 -36008 3.9904 -11.063 1.2239 9.1922e+05 2024-05-20 07:37:29,614 INFO [main.py:798]
{rank 0/64} MD step = 485000 step time: 00:00:00.325698 Performance: 38.185 ns/day 0.629 hours/ns 2.210 steps/s 2024-05-20 07:37:35,302 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485000 97000 69.69 -28358 7638.1 -35996 -35996 3.9904 -11.064 1.2229 9.1942e+05 2024-05-20 07:38:07,589 INFO [main.py:798]
{rank 0/64} MD step = 485100 step time: 00:00:00.326205 Performance: 38.186 ns/day 0.628 hours/ns 2.210 steps/s 2024-05-20 07:38:13,294 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485100 97020 69.732 -28346 7642.7 -35989 -35989 3.9921 -11.066 1.2238 9.1963e+05 2024-05-20 07:38:45,588 INFO [main.py:798]
{rank 0/64} MD step = 485200 step time: 00:00:00.325725 Performance: 38.188 ns/day 0.628 hours/ns 2.210 steps/s 2024-05-20 07:38:50,251 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485200 97040 68.818 -28393 7542.6 -35935 -35935 3.9924 -11.067 1.2246 9.1979e+05 2024-05-20 07:39:22,569 INFO [main.py:798]
{rank 0/64} MD step = 485300 step time: 00:00:00.325016 Performance: 38.189 ns/day 0.628 hours/ns 2.210 steps/s 2024-05-20 07:39:28,839 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485300 97060 70.722 -28160 7751.3 -35912 -35912 3.9931 -11.067 1.2245 9.1997e+05 2024-05-20 07:40:01,690 INFO [main.py:798]
{rank 0/64} MD step = 485400 step time: 00:00:00.324847 Performance: 38.190 ns/day 0.628 hours/ns 2.210 steps/s 2024-05-20 07:40:07,727 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485400 97080 69.467 -28515 7613.6 -36129 -36129 3.9934 -11.066 1.2255 9.2014e+05 2024-05-20 07:40:40,552 INFO [main.py:798]
{rank 0/64} MD step = 485500 step time: 00:00:00.326430 Performance: 38.191 ns/day 0.628 hours/ns 2.210 steps/s 2024-05-20 07:40:46,241 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485500 97100 70.004 -28282 7672.5 -35955 -35955 3.9948 -11.066 1.2257 9.2034e+05 2024-05-20 07:41:29,472 INFO [main.py:798]
{rank 0/64} MD step = 485600 step time: 00:00:00.324916 Performance: 38.191 ns/day 0.628 hours/ns 2.210 steps/s 2024-05-20 07:41:46,077 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485600 97120 70.985 -28360 7780 -36140 -36140 3.9947 -11.067 1.2278 9.2051e+05 2024-05-20 07:42:18,405 INFO [main.py:798]
{rank 0/64} MD step = 485700 step time: 00:00:00.326209 Performance: 38.190 ns/day 0.628 hours/ns 2.210 steps/s 2024-05-20 07:42:23,281 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485700 97140 70.4 -28426 7715.9 -36142 -36142 3.9945 -11.069 1.2301 9.2071e+05 2024-05-20 07:42:56,820 INFO [main.py:798]
{rank 0/64} MD step = 485800 step time: 00:00:00.325551 Performance: 38.191 ns/day 0.628 hours/ns 2.210 steps/s 2024-05-20 07:43:03,872 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485800 97160 70.078 -28449 7680.6 -36129 -36129 3.9937 -11.073 1.2309 9.2093e+05 2024-05-20 07:43:36,175 INFO [main.py:798]
{rank 0/64} MD step = 485900 step time: 00:00:00.326612 Performance: 38.192 ns/day 0.628 hours/ns 2.210 steps/s 2024-05-20 07:43:48,567 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485900 97180 69.801 -28218 7650.3 -35868 -35868 3.9945 -11.074 1.2323 9.2114e+05 2024-05-20 07:44:20,896 INFO [main.py:798]
{rank 0/64} MD step = 486000 step time: 00:00:00.324631 Performance: 38.192 ns/day 0.628 hours/ns 2.210 steps/s 2024-05-20 07:44:25,883 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 486000 97200 69.674 -28364 7636.3 -36001 -36001 3.9949 -11.074 1.2327 9.213e+05 2024-05-20 07:44:59,665 INFO [main.py:798]
{rank 0/64} MD step = 486100 step time: 00:00:00.323842 Performance: 38.193 ns/day 0.628 hours/ns 2.210 steps/s 2024-05-20 07:45:06,261 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 486100 97220 70.787 -28369 7758.3 -36127 -36127 3.9955 -11.074 1.2329 9.2146e+05 2024-05-20 07:45:38,599 INFO [main.py:798]
{rank 0/64} MD step = 486200 step time: 00:00:00.327095 Performance: 38.195 ns/day 0.628 hours/ns 2.210 steps/s 2024-05-20 07:45:45,545 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 486200 97240 70.009 -28337 7673.1 -36010 -36010 3.9955 -11.075 1.2357 9.2165e+05 2024-05-20 07:46:17,886 INFO [main.py:798]
{rank 0/64} MD step = 486300 step time: 00:00:00.326290 Performance: 38.196 ns/day 0.628 hours/ns 2.210 steps/s 2024-05-20 07:46:23,829 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 486300 97260 70.488 -28331 7725.5 -36056 -36056 3.9953 -11.077 1.2362 9.2185e+05 2024-05-20 07:46:56,241 INFO [main.py:798]
{rank 0/64} MD step = 486400 step time: 00:00:00.325476 Performance: 38.197 ns/day 0.628 hours/ns 2.210 steps/s 2024-05-20 07:47:00,562 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 486400 97280 69.799 -28565 7650.1 -36215 -36215 3.9941 -11.078 1.2377 9.2201e+05 2024-05-20 07:47:33,935 INFO [main.py:798]
{rank 0/64} MD step = 486500 step time: 00:00:00.325096 Performance: 38.198 ns/day 0.628 hours/ns 2.211 steps/s 2024-05-20 07:47:40,908 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 486500 97300 69.763 -28465 7646.1 -36111 -36111 3.9947 -11.077 1.2395 9.2225e+05 2024-05-20 07:48:13,840 INFO [main.py:798]
{rank 0/64} MD step = 486600 step time: 00:00:00.325843 Performance: 38.199 ns/day 0.628 hours/ns 2.211 steps/s 2024-05-20 07:48:18,434 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 486600 97320 68.982 -28388 7560.5 -35948 -35948 3.9942 -11.077 1.2399 9.2244e+05 2024-05-20 07:48:52,149 INFO [main.py:798]
{rank 0/64} MD step = 486700 step time: 00:00:00.325047 Performance: 38.200 ns/day 0.628 hours/ns 2.211 steps/s 2024-05-20 07:48:58,795 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 486700 97340 70.254 -28252 7699.9 -35952 -35952 3.9947 -11.075 1.2399 9.2264e+05 2024-05-20 07:49:31,189 INFO [main.py:798]
{rank 0/64} MD step = 486800 step time: 00:00:00.325820 Performance: 38.201 ns/day 0.628 hours/ns 2.211 steps/s 2024-05-20 07:49:37,182 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 486800 97360 69.271 -28308 7592.2 -35901 -35901 3.9949 -11.075 1.2411 9.2286e+05 2024-05-20 07:50:09,500 INFO [main.py:798]
{rank 0/64} MD step = 486900 step time: 00:00:00.325596 Performance: 38.202 ns/day 0.628 hours/ns 2.211 steps/s 2024-05-20 07:50:15,428 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 486900 97380 69.36 -28550 7601.9 -36152 -36152 3.9959 -11.073 1.2417 9.2303e+05 2024-05-20 07:50:47,723 INFO [main.py:798]
{rank 0/64} MD step = 487000 step time: 00:00:00.324628 Performance: 38.204 ns/day 0.628 hours/ns 2.211 steps/s 2024-05-20 07:50:53,140 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 487000 97400 70.194 -28352 7693.3 -36045 -36045 3.9961 -11.073 1.2407 9.232e+05 2024-05-20 07:51:26,406 INFO [main.py:798]
{rank 0/64} MD step = 487100 step time: 00:00:00.324972 Performance: 38.205 ns/day 0.628 hours/ns 2.211 steps/s 2024-05-20 07:51:32,755 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 487100 97420 71.261 -28208 7810.3 -36018 -36018 3.9951 -11.072 1.2413 9.2339e+05 2024-05-20 07:52:05,100 INFO [main.py:798]
{rank 0/64} MD step = 487200 step time: 00:00:00.332624 Performance: 38.206 ns/day 0.628 hours/ns 2.211 steps/s 2024-05-20 07:52:10,902 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 487200 97440 70.136 -28396 7687 -36083 -36083 3.9951 -11.071 1.24 9.2356e+05 2024-05-20 07:52:43,363 INFO [main.py:798]
{rank 0/64} MD step = 487300 step time: 00:00:00.324859 Performance: 38.207 ns/day 0.628 hours/ns 2.211 steps/s 2024-05-20 07:52:48,414 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 487300 97460 68.803 -28405 7540.9 -35945 -35945 3.9942 -11.069 1.2407 9.2375e+05 2024-05-20 07:53:22,145 INFO [main.py:798]
{rank 0/64} MD step = 487400 step time: 00:00:00.326245 Performance: 38.208 ns/day 0.628 hours/ns 2.211 steps/s 2024-05-20 07:53:28,446 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 487400 97480 70.385 -28226 7714.3 -35941 -35941 3.9943 -11.068 1.2438 9.2393e+05 2024-05-20 07:54:00,906 INFO [main.py:798]
{rank 0/64} MD step = 487500 step time: 00:00:00.326290 Performance: 38.209 ns/day 0.628 hours/ns 2.211 steps/s 2024-05-20 07:54:06,726 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 487500 97500 70.579 -28084 7735.5 -35819 -35819 3.9962 -11.067 1.2446 9.2414e+05 2024-05-20 07:54:39,036 INFO [main.py:798]
{rank 0/64} MD step = 487600 step time: 00:00:00.325177 Performance: 38.211 ns/day 0.628 hours/ns 2.211 steps/s 2024-05-20 07:54:42,992 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 487600 97520 71.071 -28269 7789.4 -36059 -36059 3.9965 -11.065 1.2443 9.2431e+05 2024-05-20 07:55:16,635 INFO [main.py:798]
{rank 0/64} MD step = 487700 step time: 00:00:00.325271 Performance: 38.212 ns/day 0.628 hours/ns 2.211 steps/s 2024-05-20 07:55:24,154 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 487700 97540 69.611 -28449 7629.4 -36079 -36079 3.9957 -11.064 1.2443 9.245e+05 2024-05-20 07:55:56,566 INFO [main.py:798]
{rank 0/64} MD step = 487800 step time: 00:00:00.326143 Performance: 38.213 ns/day 0.628 hours/ns 2.211 steps/s 2024-05-20 07:56:02,633 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 487800 97560 70.02 -28323 7674.2 -35997 -35997 3.9961 -11.067 1.2461 9.2471e+05 2024-05-20 07:56:35,101 INFO [main.py:798]
{rank 0/64} MD step = 487900 step time: 00:00:00.329388 Performance: 38.214 ns/day 0.628 hours/ns 2.211 steps/s 2024-05-20 07:56:40,494 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 487900 97580 69.711 -28390 7640.4 -36031 -36031 3.9967 -11.068 1.2453 9.2493e+05 2024-05-20 07:57:13,008 INFO [main.py:798]
{rank 0/64} MD step = 488000 step time: 00:00:00.326153 Performance: 38.215 ns/day 0.628 hours/ns 2.212 steps/s 2024-05-20 07:57:19,122 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488000 97600 69.077 -28383 7570.9 -35954 -35954 3.9964 -11.069 1.2463 9.2509e+05 2024-05-20 07:57:51,484 INFO [main.py:798]
{rank 0/64} MD step = 488100 step time: 00:00:00.325896 Performance: 38.216 ns/day 0.628 hours/ns 2.212 steps/s 2024-05-20 07:57:56,481 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488100 97620 69.455 -28396 7612.3 -36009 -36009 3.9964 -11.07 1.246 9.2527e+05 2024-05-20 07:58:29,098 INFO [main.py:798]
{rank 0/64} MD step = 488200 step time: 00:00:00.325110 Performance: 38.218 ns/day 0.628 hours/ns 2.212 steps/s 2024-05-20 07:58:34,343 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488200 97640 70.321 -28351 7707.2 -36058 -36058 3.9973 -11.07 1.2482 9.2548e+05 2024-05-20 07:59:07,874 INFO [main.py:798]
{rank 0/64} MD step = 488300 step time: 00:00:00.325267 Performance: 38.219 ns/day 0.628 hours/ns 2.212 steps/s 2024-05-20 07:59:13,527 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488300 97660 69.985 -28459 7670.5 -36129 -36129 3.9967 -11.069 1.2509 9.2568e+05 2024-05-20 07:59:45,836 INFO [main.py:798]
{rank 0/64} MD step = 488400 step time: 00:00:00.325400 Performance: 38.220 ns/day 0.628 hours/ns 2.212 steps/s 2024-05-20 07:59:52,283 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488400 97680 69.662 -28445 7635 -36080 -36080 3.9979 -11.07 1.2509 9.2588e+05 2024-05-20 08:00:24,751 INFO [main.py:798]
{rank 0/64} MD step = 488500 step time: 00:00:00.333010 Performance: 38.221 ns/day 0.628 hours/ns 2.212 steps/s 2024-05-20 08:00:30,850 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488500 97700 70.744 -28338 7753.7 -36092 -36092 3.9983 -11.069 1.2537 9.2605e+05 2024-05-20 08:01:03,134 INFO [main.py:798]
{rank 0/64} MD step = 488600 step time: 00:00:00.326108 Performance: 38.222 ns/day 0.628 hours/ns 2.212 steps/s 2024-05-20 08:01:08,212 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488600 97720 69.495 -28518 7616.7 -36135 -36135 3.9992 -11.069 1.2541 9.2625e+05 2024-05-20 08:01:40,498 INFO [main.py:798]
{rank 0/64} MD step = 488700 step time: 00:00:00.325931 Performance: 38.224 ns/day 0.628 hours/ns 2.212 steps/s 2024-05-20 08:01:45,028 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488700 97740 70.198 -28588 7693.8 -36282 -36282 3.9999 -11.071 1.2567 9.2645e+05 2024-05-20 08:02:19,151 INFO [main.py:798]
{rank 0/64} MD step = 488800 step time: 00:00:00.325017 Performance: 38.225 ns/day 0.628 hours/ns 2.212 steps/s 2024-05-20 08:02:24,337 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488800 97760 70.749 -28532 7754.2 -36286 -36286 3.9994 -11.071 1.2573 9.2662e+05 2024-05-20 08:02:56,600 INFO [main.py:798]
{rank 0/64} MD step = 488900 step time: 00:00:00.325988 Performance: 38.226 ns/day 0.628 hours/ns 2.212 steps/s 2024-05-20 08:03:04,175 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488900 97780 70.413 -28500 7717.3 -36218 -36218 3.9992 -11.068 1.2566 9.2682e+05 2024-05-20 08:03:36,683 INFO [main.py:798]
{rank 0/64} MD step = 489000 step time: 00:00:00.326652 Performance: 38.227 ns/day 0.628 hours/ns 2.212 steps/s 2024-05-20 08:03:48,460 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489000 97800 70.118 -28459 7685.1 -36144 -36144 4.0002 -11.066 1.2569 9.2704e+05 2024-05-20 08:04:20,759 INFO [main.py:798]
{rank 0/64} MD step = 489100 step time: 00:00:00.326305 Performance: 38.227 ns/day 0.628 hours/ns 2.212 steps/s 2024-05-20 08:04:25,591 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489100 97820 69.967 -28516 7668.4 -36184 -36184 4.0001 -11.064 1.2563 9.2721e+05 2024-05-20 08:04:57,872 INFO [main.py:798]
{rank 0/64} MD step = 489200 step time: 00:00:00.324983 Performance: 38.229 ns/day 0.628 hours/ns 2.212 steps/s 2024-05-20 08:05:03,371 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489200 97840 69.37 -28529 7603 -36132 -36132 3.9985 -11.061 1.2568 9.2739e+05 2024-05-20 08:05:35,951 INFO [main.py:798]
{rank 0/64} MD step = 489300 step time: 00:00:00.325767 Performance: 38.230 ns/day 0.628 hours/ns 2.212 steps/s 2024-05-20 08:05:43,640 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489300 97860 69.805 -28518 7650.7 -36169 -36169 4.0003 -11.06 1.2583 9.2761e+05 2024-05-20 08:06:16,124 INFO [main.py:798]
{rank 0/64} MD step = 489400 step time: 00:00:00.325599 Performance: 38.231 ns/day 0.628 hours/ns 2.212 steps/s 2024-05-20 08:06:21,923 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489400 97880 68.751 -28783 7535.2 -36318 -36318 4.0011 -11.059 1.2595 9.2778e+05 2024-05-20 08:06:54,365 INFO [main.py:798]
{rank 0/64} MD step = 489500 step time: 00:00:00.325084 Performance: 38.232 ns/day 0.628 hours/ns 2.213 steps/s 2024-05-20 08:07:00,383 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489500 97900 68.606 -28820 7519.3 -36339 -36339 4.0009 -11.057 1.2614 9.2797e+05 2024-05-20 08:07:33,091 INFO [main.py:798]
{rank 0/64} MD step = 489600 step time: 00:00:00.325502 Performance: 38.233 ns/day 0.628 hours/ns 2.213 steps/s 2024-05-20 08:07:45,531 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489600 97920 68.93 -28724 7554.8 -36278 -36278 3.9999 -11.056 1.2625 9.2815e+05 2024-05-20 08:08:17,924 INFO [main.py:798]
{rank 0/64} MD step = 489700 step time: 00:00:00.325226 Performance: 38.233 ns/day 0.628 hours/ns 2.213 steps/s 2024-05-20 08:08:22,753 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489700 97940 70.866 -28378 7767 -36145 -36145 4 -11.057 1.2626 9.2834e+05 2024-05-20 08:08:55,189 INFO [main.py:798]
{rank 0/64} MD step = 489800 step time: 00:00:00.325129 Performance: 38.235 ns/day 0.628 hours/ns 2.213 steps/s 2024-05-20 08:08:59,847 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489800 97960 70.23 -28313 7697.3 -36010 -36010 4.0014 -11.054 1.2637 9.2854e+05 2024-05-20 08:09:32,672 INFO [main.py:798]
{rank 0/64} MD step = 489900 step time: 00:00:00.324706 Performance: 38.236 ns/day 0.628 hours/ns 2.213 steps/s 2024-05-20 08:09:37,300 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489900 97980 70.61 -28449 7739 -36188 -36188 3.9994 -11.054 1.2644 9.2871e+05 2024-05-20 08:10:10,952 INFO [main.py:798]
{rank 0/64} MD step = 490000 step time: 00:00:00.325491 Performance: 38.237 ns/day 0.628 hours/ns 2.213 steps/s 2024-05-20 08:10:16,874 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 490000 98000 70.656 -28423 7744 -36167 -36167 3.9993 -11.055 1.2646 9.2892e+05 2024-05-20 08:10:49,297 INFO [main.py:798]
{rank 0/64} MD step = 490100 step time: 00:00:00.325619 Performance: 38.238 ns/day 0.628 hours/ns 2.213 steps/s 2024-05-20 08:10:56,434 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 490100 98020 70.284 -28491 7703.2 -36194 -36194 4.0012 -11.055 1.2659 9.2909e+05 2024-05-20 08:11:28,742 INFO [main.py:798]
{rank 0/64} MD step = 490200 step time: 00:00:00.326202 Performance: 38.239 ns/day 0.628 hours/ns 2.213 steps/s 2024-05-20 08:11:39,612 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 490200 98040 70.164 -28345 7690.1 -36035 -36035 4.0013 -11.056 1.2667 9.2931e+05 2024-05-20 08:12:11,894 INFO [main.py:798]
{rank 0/64} MD step = 490300 step time: 00:00:00.325655 Performance: 38.240 ns/day 0.628 hours/ns 2.213 steps/s 2024-05-20 08:12:18,225 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 490300 98060 69.585 -28407 7626.6 -36033 -36033 4.002 -11.054 1.2669 9.2955e+05 2024-05-20 08:12:50,531 INFO [main.py:798]
{rank 0/64} MD step = 490400 step time: 00:00:00.326047 Performance: 38.241 ns/day 0.628 hours/ns 2.213 steps/s 2024-05-20 08:12:56,989 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 490400 98080 69.77 -28381 7646.8 -36028 -36028 4.0014 -11.051 1.2655 9.2974e+05 2024-05-20 08:13:29,606 INFO [main.py:798]
{rank 0/64} MD step = 490500 step time: 00:00:00.326501 Performance: 38.242 ns/day 0.628 hours/ns 2.213 steps/s 2024-05-20 08:13:37,110 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 490500 98100 68.562 -28633 7514.5 -36147 -36147 4.0019 -11.049 1.2659 9.2993e+05 2024-05-20 08:14:09,406 INFO [main.py:798]
{rank 0/64} MD step = 490600 step time: 00:00:00.325536 Performance: 38.243 ns/day 0.628 hours/ns 2.213 steps/s 2024-05-20 08:14:15,020 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 490600 98120 70.444 -28236 7720.8 -35957 -35957 4.0027 -11.046 1.2667 9.3012e+05 2024-05-20 08:14:47,436 INFO [main.py:798]
{rank 0/64} MD step = 490700 step time: 00:00:00.324961 Performance: 38.244 ns/day 0.628 hours/ns 2.213 steps/s 2024-05-20 08:14:53,550 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 490700 98140 69.46 -28438 7612.9 -36051 -36051 4.0025 -11.043 1.268 9.3032e+05 2024-05-20 08:15:26,032 INFO [main.py:798]
{rank 0/64} MD step = 490800 step time: 00:00:00.326483 Performance: 38.245 ns/day 0.628 hours/ns 2.213 steps/s 2024-05-20 08:15:39,930 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 490800 98160 69.741 -28364 7643.7 -36008 -36008 4.0032 -11.041 1.2689 9.3049e+05 2024-05-20 08:16:12,340 INFO [main.py:798]
{rank 0/64} MD step = 490900 step time: 00:00:00.325607 Performance: 38.245 ns/day 0.628 hours/ns 2.213 steps/s 2024-05-20 08:16:17,869 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 490900 98180 71.032 -28420 7785.2 -36205 -36205 4.0038 -11.039 1.2695 9.3067e+05 2024-05-20 08:16:50,153 INFO [main.py:798]
{rank 0/64} MD step = 491000 step time: 00:00:00.325462 Performance: 38.246 ns/day 0.628 hours/ns 2.213 steps/s 2024-05-20 08:16:55,057 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 491000 98200 69.792 -28496 7649.3 -36145 -36145 4.0042 -11.037 1.2697 9.3087e+05 2024-05-20 08:17:27,870 INFO [main.py:798]
{rank 0/64} MD step = 491100 step time: 00:00:00.325465 Performance: 38.247 ns/day 0.627 hours/ns 2.213 steps/s 2024-05-20 08:17:32,859 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 491100 98220 70.45 -28386 7721.4 -36107 -36107 4.0047 -11.035 1.2709 9.3108e+05 2024-05-20 08:18:05,874 INFO [main.py:798]
{rank 0/64} MD step = 491200 step time: 00:00:00.325307 Performance: 38.249 ns/day 0.627 hours/ns 2.213 steps/s 2024-05-20 08:18:11,715 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 491200 98240 70.317 -28607 7706.9 -36314 -36314 4.0047 -11.036 1.2715 9.3126e+05 2024-05-20 08:18:44,126 INFO [main.py:798]
{rank 0/64} MD step = 491300 step time: 00:00:00.326118 Performance: 38.250 ns/day 0.627 hours/ns 2.214 steps/s 2024-05-20 08:18:49,535 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 491300 98260 69.761 -28418 7645.8 -36064 -36064 4.0051 -11.034 1.2729 9.3147e+05 2024-05-20 08:19:21,902 INFO [main.py:798]
{rank 0/64} MD step = 491400 step time: 00:00:00.324891 Performance: 38.251 ns/day 0.627 hours/ns 2.214 steps/s 2024-05-20 08:19:26,623 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 491400 98280 69.476 -28625 7614.6 -36240 -36240 4.0064 -11.033 1.2737 9.3164e+05 2024-05-20 08:20:00,077 INFO [main.py:798]
{rank 0/64} MD step = 491500 step time: 00:00:00.326279 Performance: 38.252 ns/day 0.627 hours/ns 2.214 steps/s 2024-05-20 08:20:05,699 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 491500 98300 70.83 -28261 7763 -36024 -36024 4.0068 -11.031 1.2742 9.3188e+05 2024-05-20 08:20:38,181 INFO [main.py:798]
{rank 0/64} MD step = 491600 step time: 00:00:00.325087 Performance: 38.254 ns/day 0.627 hours/ns 2.214 steps/s 2024-05-20 08:20:43,361 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 491600 98320 69.68 -28483 7637 -36120 -36120 4.0058 -11.032 1.2734 9.3206e+05 2024-05-20 08:21:15,695 INFO [main.py:798]
{rank 0/64} MD step = 491700 step time: 00:00:00.325070 Performance: 38.255 ns/day 0.627 hours/ns 2.214 steps/s 2024-05-20 08:21:21,454 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 491700 98340 69.606 -28580 7628.9 -36209 -36209 4.0071 -11.031 1.2735 9.322e+05 2024-05-20 08:21:53,738 INFO [main.py:798]
{rank 0/64} MD step = 491800 step time: 00:00:00.324819 Performance: 38.256 ns/day 0.627 hours/ns 2.214 steps/s 2024-05-20 08:21:58,999 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 491800 98360 69.715 -28360 7640.9 -36000 -36000 4.0082 -11.033 1.2745 9.3244e+05 2024-05-20 08:22:31,348 INFO [main.py:798]
{rank 0/64} MD step = 491900 step time: 00:00:00.325387 Performance: 38.257 ns/day 0.627 hours/ns 2.214 steps/s 2024-05-20 08:22:36,840 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 491900 98380 70.289 -28365 7703.8 -36069 -36069 4.0082 -11.037 1.2751 9.3266e+05 2024-05-20 08:23:09,227 INFO [main.py:798]
{rank 0/64} MD step = 492000 step time: 00:00:00.325920 Performance: 38.259 ns/day 0.627 hours/ns 2.214 steps/s 2024-05-20 08:23:13,969 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492000 98400 70.414 -28350 7717.5 -36067 -36067 4.0094 -11.038 1.2783 9.3281e+05 2024-05-20 08:23:47,863 INFO [main.py:798]
{rank 0/64} MD step = 492100 step time: 00:00:00.325934 Performance: 38.260 ns/day 0.627 hours/ns 2.214 steps/s 2024-05-20 08:23:55,697 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492100 98420 70.673 -28443 7745.9 -36188 -36188 4.0096 -11.04 1.2781 9.33e+05 2024-05-20 08:24:27,976 INFO [main.py:798]
{rank 0/64} MD step = 492200 step time: 00:00:00.324975 Performance: 38.261 ns/day 0.627 hours/ns 2.214 steps/s 2024-05-20 08:24:33,352 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492200 98440 70.115 -28521 7684.7 -36206 -36206 4.0102 -11.04 1.2787 9.332e+05 2024-05-20 08:25:05,952 INFO [main.py:798]
{rank 0/64} MD step = 492300 step time: 00:00:00.324901 Performance: 38.262 ns/day 0.627 hours/ns 2.214 steps/s 2024-05-20 08:25:11,383 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492300 98460 69.421 -28518 7608.7 -36127 -36127 4.0114 -11.039 1.2789 9.3339e+05 2024-05-20 08:25:43,713 INFO [main.py:798]
{rank 0/64} MD step = 492400 step time: 00:00:00.325032 Performance: 38.263 ns/day 0.627 hours/ns 2.214 steps/s 2024-05-20 08:25:49,895 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492400 98480 70.806 -28526 7760.4 -36286 -36286 4.0117 -11.039 1.2796 9.3353e+05 2024-05-20 08:26:23,558 INFO [main.py:798]
{rank 0/64} MD step = 492500 step time: 00:00:00.326094 Performance: 38.264 ns/day 0.627 hours/ns 2.214 steps/s 2024-05-20 08:26:27,783 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492500 98500 70.748 -28420 7754.1 -36175 -36175 4.0105 -11.039 1.2796 9.3375e+05 2024-05-20 08:27:00,318 INFO [main.py:798]
{rank 0/64} MD step = 492600 step time: 00:00:00.325323 Performance: 38.266 ns/day 0.627 hours/ns 2.214 steps/s 2024-05-20 08:27:06,392 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492600 98520 69.638 -28442 7632.5 -36075 -36075 4.0106 -11.038 1.2794 9.3397e+05 2024-05-20 08:27:38,986 INFO [main.py:798]
{rank 0/64} MD step = 492700 step time: 00:00:00.324917 Performance: 38.267 ns/day 0.627 hours/ns 2.215 steps/s 2024-05-20 08:27:45,815 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492700 98540 69.595 -28527 7627.7 -36155 -36155 4.0103 -11.036 1.2797 9.3411e+05 2024-05-20 08:28:18,279 INFO [main.py:798]
{rank 0/64} MD step = 492800 step time: 00:00:00.325982 Performance: 38.268 ns/day 0.627 hours/ns 2.215 steps/s 2024-05-20 08:28:23,772 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492800 98560 69.669 -28387 7635.8 -36022 -36022 4.0109 -11.035 1.2816 9.3434e+05 2024-05-20 08:28:56,396 INFO [main.py:798]
{rank 0/64} MD step = 492900 step time: 00:00:00.325513 Performance: 38.269 ns/day 0.627 hours/ns 2.215 steps/s 2024-05-20 08:29:02,628 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492900 98580 70.575 -28287 7735.2 -36022 -36022 4.0113 -11.035 1.283 9.3455e+05 2024-05-20 08:29:35,249 INFO [main.py:798]
{rank 0/64} MD step = 493000 step time: 00:00:00.325184 Performance: 38.270 ns/day 0.627 hours/ns 2.215 steps/s 2024-05-20 08:29:40,088 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493000 98600 70.887 -28319 7769.3 -36088 -36088 4.0102 -11.032 1.2843 9.3472e+05 2024-05-20 08:30:12,405 INFO [main.py:798]
{rank 0/64} MD step = 493100 step time: 00:00:00.325335 Performance: 38.271 ns/day 0.627 hours/ns 2.215 steps/s 2024-05-20 08:30:18,418 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493100 98620 69.788 -28576 7648.8 -36225 -36225 4.0089 -11.031 1.2835 9.3488e+05 2024-05-20 08:30:50,776 INFO [main.py:798]
{rank 0/64} MD step = 493200 step time: 00:00:00.326091 Performance: 38.273 ns/day 0.627 hours/ns 2.215 steps/s 2024-05-20 08:30:56,510 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493200 98640 70.099 -28422 7682.9 -36105 -36105 4.0091 -11.029 1.2847 9.3505e+05 2024-05-20 08:31:28,862 INFO [main.py:798]
{rank 0/64} MD step = 493300 step time: 00:00:00.324627 Performance: 38.274 ns/day 0.627 hours/ns 2.215 steps/s 2024-05-20 08:31:39,462 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493300 98660 69.708 -28378 7640.1 -36019 -36019 4.0092 -11.03 1.2865 9.3523e+05 2024-05-20 08:32:11,780 INFO [main.py:798]
{rank 0/64} MD step = 493400 step time: 00:00:00.328136 Performance: 38.274 ns/day 0.627 hours/ns 2.215 steps/s 2024-05-20 08:32:17,891 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493400 98680 69.088 -28619 7572.1 -36191 -36191 4.0093 -11.032 1.287 9.3541e+05 2024-05-20 08:32:50,211 INFO [main.py:798]
{rank 0/64} MD step = 493500 step time: 00:00:00.326319 Performance: 38.275 ns/day 0.627 hours/ns 2.215 steps/s 2024-05-20 08:32:56,795 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493500 98700 70.647 -28367 7743 -36110 -36110 4.0097 -11.033 1.287 9.3559e+05 2024-05-20 08:33:29,111 INFO [main.py:798]
{rank 0/64} MD step = 493600 step time: 00:00:00.325655 Performance: 38.276 ns/day 0.627 hours/ns 2.215 steps/s 2024-05-20 08:33:34,452 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493600 98720 68.853 -28548 7546.4 -36094 -36094 4.0095 -11.033 1.2881 9.3583e+05 2024-05-20 08:34:06,794 INFO [main.py:798]
{rank 0/64} MD step = 493700 step time: 00:00:00.325239 Performance: 38.278 ns/day 0.627 hours/ns 2.215 steps/s 2024-05-20 08:34:14,146 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493700 98740 70.48 -28473 7724.7 -36198 -36198 4.0097 -11.031 1.2897 9.36e+05 2024-05-20 08:34:46,448 INFO [main.py:798]
{rank 0/64} MD step = 493800 step time: 00:00:00.325632 Performance: 38.279 ns/day 0.627 hours/ns 2.215 steps/s 2024-05-20 08:34:53,036 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493800 98760 70.747 -28460 7754 -36214 -36214 4.0097 -11.029 1.2895 9.3618e+05 2024-05-20 08:35:25,585 INFO [main.py:798]
{rank 0/64} MD step = 493900 step time: 00:00:00.324879 Performance: 38.280 ns/day 0.627 hours/ns 2.215 steps/s 2024-05-20 08:35:30,275 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493900 98780 69.278 -28675 7593 -36268 -36268 4.0083 -11.026 1.2907 9.3635e+05 2024-05-20 08:36:06,950 INFO [main.py:798]
{rank 0/64} MD step = 494000 step time: 00:00:00.326424 Performance: 38.280 ns/day 0.627 hours/ns 2.215 steps/s 2024-05-20 08:36:12,681 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494000 98800 70.28 -28523 7702.8 -36225 -36225 4.0098 -11.024 1.2906 9.3656e+05 2024-05-20 08:36:44,997 INFO [main.py:798]
{rank 0/64} MD step = 494100 step time: 00:00:00.336320 Performance: 38.281 ns/day 0.627 hours/ns 2.215 steps/s 2024-05-20 08:36:51,365 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494100 98820 70.778 -28472 7757.3 -36229 -36229 4.0104 -11.02 1.2893 9.3674e+05 2024-05-20 08:37:23,646 INFO [main.py:798]
{rank 0/64} MD step = 494200 step time: 00:00:00.326652 Performance: 38.283 ns/day 0.627 hours/ns 2.215 steps/s 2024-05-20 08:37:29,030 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494200 98840 70.178 -28373 7691.6 -36065 -36065 4.0088 -11.018 1.2913 9.3696e+05 2024-05-20 08:38:01,496 INFO [main.py:798]
{rank 0/64} MD step = 494300 step time: 00:00:00.326720 Performance: 38.284 ns/day 0.627 hours/ns 2.216 steps/s 2024-05-20 08:38:09,683 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494300 98860 69.323 -28523 7597.9 -36121 -36121 4.0073 -11.015 1.2918 9.3712e+05 2024-05-20 08:38:42,057 INFO [main.py:798]
{rank 0/64} MD step = 494400 step time: 00:00:00.325174 Performance: 38.285 ns/day 0.627 hours/ns 2.216 steps/s 2024-05-20 08:38:48,825 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494400 98880 70.975 -28389 7779 -36168 -36168 4.007 -11.012 1.2921 9.3734e+05 2024-05-20 08:39:21,258 INFO [main.py:798]
{rank 0/64} MD step = 494500 step time: 00:00:00.325505 Performance: 38.286 ns/day 0.627 hours/ns 2.216 steps/s 2024-05-20 08:39:26,018 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494500 98900 69.909 -28481 7662.1 -36143 -36143 4.0064 -11.01 1.2923 9.3752e+05 2024-05-20 08:39:58,859 INFO [main.py:798]
{rank 0/64} MD step = 494600 step time: 00:00:00.325448 Performance: 38.287 ns/day 0.627 hours/ns 2.216 steps/s 2024-05-20 08:40:04,281 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494600 98920 71.699 -28247 7858.3 -36105 -36105 4.0069 -11.006 1.2916 9.377e+05 2024-05-20 08:40:36,721 INFO [main.py:798]
{rank 0/64} MD step = 494700 step time: 00:00:00.324616 Performance: 38.288 ns/day 0.627 hours/ns 2.216 steps/s 2024-05-20 08:40:46,257 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494700 98940 70.74 -28291 7753.2 -36044 -36044 4.0072 -11.003 1.2921 9.3792e+05 2024-05-20 08:41:18,624 INFO [main.py:798]
{rank 0/64} MD step = 494800 step time: 00:00:00.326404 Performance: 38.289 ns/day 0.627 hours/ns 2.216 steps/s 2024-05-20 08:41:25,069 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494800 98960 70.265 -28355 7701.2 -36056 -36056 4.0056 -11 1.2935 9.3805e+05 2024-05-20 08:41:57,471 INFO [main.py:798]
{rank 0/64} MD step = 494900 step time: 00:00:00.325311 Performance: 38.290 ns/day 0.627 hours/ns 2.216 steps/s 2024-05-20 08:42:04,724 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494900 98980 70.301 -28313 7705.1 -36019 -36019 4.0055 -10.998 1.2946 9.3823e+05 2024-05-20 08:42:37,009 INFO [main.py:798]
{rank 0/64} MD step = 495000 step time: 00:00:00.326328 Performance: 38.291 ns/day 0.627 hours/ns 2.216 steps/s 2024-05-20 08:42:44,041 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495000 99000 69.681 -28604 7637.1 -36241 -36241 4.0061 -10.998 1.2954 9.3839e+05 2024-05-20 08:43:16,345 INFO [main.py:798]
{rank 0/64} MD step = 495100 step time: 00:00:00.324827 Performance: 38.292 ns/day 0.627 hours/ns 2.216 steps/s 2024-05-20 08:43:22,159 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495100 99020 69.775 -28515 7647.4 -36162 -36162 4.0053 -10.999 1.295 9.3858e+05 2024-05-20 08:43:54,452 INFO [main.py:798]
{rank 0/64} MD step = 495200 step time: 00:00:00.324935 Performance: 38.293 ns/day 0.627 hours/ns 2.216 steps/s 2024-05-20 08:44:04,040 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495200 99040 69.505 -28430 7617.9 -36048 -36048 4.0038 -10.999 1.2957 9.3879e+05 2024-05-20 08:44:36,404 INFO [main.py:798]
{rank 0/64} MD step = 495300 step time: 00:00:00.326496 Performance: 38.294 ns/day 0.627 hours/ns 2.216 steps/s 2024-05-20 08:44:42,695 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495300 99060 69.228 -28480 7587.5 -36067 -36067 4.0035 -11 1.2962 9.3903e+05 2024-05-20 08:45:15,048 INFO [main.py:798]
{rank 0/64} MD step = 495400 step time: 00:00:00.338654 Performance: 38.295 ns/day 0.627 hours/ns 2.216 steps/s 2024-05-20 08:45:23,584 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495400 99080 68.656 -28659 7524.8 -36184 -36184 4.0039 -11.001 1.2984 9.3919e+05 2024-05-20 08:45:56,130 INFO [main.py:798]
{rank 0/64} MD step = 495500 step time: 00:00:00.324605 Performance: 38.295 ns/day 0.627 hours/ns 2.216 steps/s 2024-05-20 08:46:02,313 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495500 99100 70.179 -28302 7691.7 -35994 -35994 4.0047 -11.001 1.3 9.3942e+05 2024-05-20 08:46:34,950 INFO [main.py:798]
{rank 0/64} MD step = 495600 step time: 00:00:00.337708 Performance: 38.296 ns/day 0.627 hours/ns 2.216 steps/s 2024-05-20 08:46:39,084 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495600 99120 69.74 -28471 7643.6 -36114 -36114 4.0043 -11.002 1.3009 9.3955e+05 2024-05-20 08:47:12,548 INFO [main.py:798]
{rank 0/64} MD step = 495700 step time: 00:00:00.326225 Performance: 38.298 ns/day 0.627 hours/ns 2.216 steps/s 2024-05-20 08:47:19,844 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495700 99140 69.094 -28419 7572.8 -35992 -35992 4.0036 -11.003 1.2996 9.3976e+05 2024-05-20 08:47:52,254 INFO [main.py:798]
{rank 0/64} MD step = 495800 step time: 00:00:00.325586 Performance: 38.299 ns/day 0.627 hours/ns 2.216 steps/s 2024-05-20 08:47:58,284 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495800 99160 69.658 -28598 7634.6 -36232 -36232 4.0053 -11.003 1.2994 9.399e+05 2024-05-20 08:48:30,738 INFO [main.py:798]
{rank 0/64} MD step = 495900 step time: 00:00:00.325492 Performance: 38.300 ns/day 0.627 hours/ns 2.216 steps/s 2024-05-20 08:48:38,669 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495900 99180 70.45 -28320 7721.4 -36042 -36042 4.0055 -11.001 1.3008 9.4012e+05 2024-05-20 08:49:11,007 INFO [main.py:798]
{rank 0/64} MD step = 496000 step time: 00:00:00.324389 Performance: 38.301 ns/day 0.627 hours/ns 2.216 steps/s 2024-05-20 08:49:17,263 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496000 99200 69.943 -28305 7665.8 -35970 -35970 4.0058 -11 1.3038 9.4032e+05 2024-05-20 08:49:49,732 INFO [main.py:798]
{rank 0/64} MD step = 496100 step time: 00:00:00.325818 Performance: 38.302 ns/day 0.627 hours/ns 2.217 steps/s 2024-05-20 08:49:56,429 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496100 99220 70.342 -28376 7709.6 -36086 -36086 4.0061 -10.999 1.3046 9.405e+05 2024-05-20 08:50:28,892 INFO [main.py:798]
{rank 0/64} MD step = 496200 step time: 00:00:00.326248 Performance: 38.303 ns/day 0.627 hours/ns 2.217 steps/s 2024-05-20 08:50:34,085 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496200 99240 70.083 -28297 7681.2 -35978 -35978 4.0037 -10.998 1.306 9.407e+05 2024-05-20 08:51:06,573 INFO [main.py:798]
{rank 0/64} MD step = 496300 step time: 00:00:00.326406 Performance: 38.304 ns/day 0.627 hours/ns 2.217 steps/s 2024-05-20 08:51:12,414 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496300 99260 69.902 -28398 7661.4 -36059 -36059 4.0025 -10.998 1.3076 9.4089e+05 2024-05-20 08:51:44,752 INFO [main.py:798]
{rank 0/64} MD step = 496400 step time: 00:00:00.334676 Performance: 38.305 ns/day 0.627 hours/ns 2.217 steps/s 2024-05-20 08:51:51,337 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496400 99280 70.71 -28429 7749.9 -36179 -36179 4.0045 -10.998 1.3089 9.4108e+05 2024-05-20 08:52:23,701 INFO [main.py:798]
{rank 0/64} MD step = 496500 step time: 00:00:00.326672 Performance: 38.306 ns/day 0.627 hours/ns 2.217 steps/s 2024-05-20 08:52:31,581 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496500 99300 69.474 -28586 7614.4 -36201 -36201 4.0049 -10.998 1.3104 9.4127e+05 2024-05-20 08:53:03,844 INFO [main.py:798]
{rank 0/64} MD step = 496600 step time: 00:00:00.325777 Performance: 38.307 ns/day 0.627 hours/ns 2.217 steps/s 2024-05-20 08:53:09,265 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496600 99320 69.123 -28583 7576 -36159 -36159 4.0047 -10.998 1.3093 9.4147e+05 2024-05-20 08:53:41,559 INFO [main.py:798]
{rank 0/64} MD step = 496700 step time: 00:00:00.325547 Performance: 38.308 ns/day 0.626 hours/ns 2.217 steps/s 2024-05-20 08:53:51,884 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496700 99340 69.441 -28457 7610.8 -36068 -36068 4.0033 -10.998 1.3101 9.4163e+05 2024-05-20 08:54:25,754 INFO [main.py:798]
{rank 0/64} MD step = 496800 step time: 00:00:00.326604 Performance: 38.308 ns/day 0.626 hours/ns 2.217 steps/s 2024-05-20 08:54:31,335 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496800 99360 70.394 -28374 7715.3 -36090 -36090 4.0039 -10.997 1.312 9.4179e+05 2024-05-20 08:55:03,780 INFO [main.py:798]
{rank 0/64} MD step = 496900 step time: 00:00:00.325582 Performance: 38.310 ns/day 0.626 hours/ns 2.217 steps/s 2024-05-20 08:55:08,911 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496900 99380 71.138 -28297 7796.8 -36094 -36094 4.0044 -10.996 1.3121 9.4199e+05 2024-05-20 08:55:42,665 INFO [main.py:798]
{rank 0/64} MD step = 497000 step time: 00:00:00.327927 Performance: 38.311 ns/day 0.626 hours/ns 2.217 steps/s 2024-05-20 08:55:47,946 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 497000 99400 69.149 -28381 7578.9 -35960 -35960 4.0044 -10.998 1.3144 9.4221e+05 2024-05-20 08:56:20,750 INFO [main.py:798]
{rank 0/64} MD step = 497100 step time: 00:00:00.324910 Performance: 38.312 ns/day 0.626 hours/ns 2.217 steps/s 2024-05-20 08:56:26,311 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 497100 99420 69.645 -28293 7633.1 -35926 -35926 4.0049 -11.001 1.3163 9.424e+05 2024-05-20 08:57:00,607 INFO [main.py:798]
{rank 0/64} MD step = 497200 step time: 00:00:00.324584 Performance: 38.313 ns/day 0.626 hours/ns 2.217 steps/s 2024-05-20 08:57:07,590 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 497200 99440 69.983 -28429 7670.2 -36099 -36099 4.0044 -11.004 1.3189 9.4257e+05 2024-05-20 08:57:39,909 INFO [main.py:798]
{rank 0/64} MD step = 497300 step time: 00:00:00.324553 Performance: 38.314 ns/day 0.626 hours/ns 2.217 steps/s 2024-05-20 08:57:46,695 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 497300 99460 69.79 -28513 7649.1 -36162 -36162 4.0037 -11.005 1.3202 9.4275e+05 2024-05-20 08:58:19,202 INFO [main.py:798]
{rank 0/64} MD step = 497400 step time: 00:00:00.326746 Performance: 38.315 ns/day 0.626 hours/ns 2.217 steps/s 2024-05-20 08:58:25,031 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 497400 99480 68.928 -28472 7554.6 -36027 -36027 4.0047 -11.006 1.32 9.4297e+05 2024-05-20 08:58:57,657 INFO [main.py:798]
{rank 0/64} MD step = 497500 step time: 00:00:00.324864 Performance: 38.316 ns/day 0.626 hours/ns 2.217 steps/s 2024-05-20 08:59:05,166 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 497500 99500 69.723 -28386 7641.7 -36028 -36028 4.0036 -11.007 1.321 9.4316e+05 2024-05-20 08:59:37,773 INFO [main.py:798]
{rank 0/64} MD step = 497600 step time: 00:00:00.325675 Performance: 38.317 ns/day 0.626 hours/ns 2.217 steps/s 2024-05-20 08:59:44,654 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 497600 99520 70.2 -28365 7694 -36059 -36059 4.0028 -11.007 1.3209 9.4333e+05 2024-05-20 09:00:17,059 INFO [main.py:798]
{rank 0/64} MD step = 497700 step time: 00:00:00.325078 Performance: 38.318 ns/day 0.626 hours/ns 2.217 steps/s 2024-05-20 09:00:23,576 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 497700 99540 70.891 -28338 7769.7 -36107 -36107 4.0032 -11.008 1.3203 9.4347e+05 2024-05-20 09:00:55,970 INFO [main.py:798]
{rank 0/64} MD step = 497800 step time: 00:00:00.327184 Performance: 38.319 ns/day 0.626 hours/ns 2.218 steps/s 2024-05-20 09:01:00,445 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 497800 99560 70.256 -28363 7700.2 -36064 -36064 4.0021 -11.008 1.3213 9.4366e+05 2024-05-20 09:01:34,445 INFO [main.py:798]
{rank 0/64} MD step = 497900 step time: 00:00:00.327836 Performance: 38.320 ns/day 0.626 hours/ns 2.218 steps/s 2024-05-20 09:01:41,380 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 497900 99580 70.288 -28475 7703.6 -36179 -36179 4.0028 -11.009 1.3223 9.4381e+05 2024-05-20 09:02:14,022 INFO [main.py:798]
{rank 0/64} MD step = 498000 step time: 00:00:00.325067 Performance: 38.321 ns/day 0.626 hours/ns 2.218 steps/s 2024-05-20 09:02:20,913 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 498000 99600 70.163 -28440 7689.9 -36130 -36130 4.0022 -11.012 1.3239 9.4401e+05 2024-05-20 09:02:53,308 INFO [main.py:798]
{rank 0/64} MD step = 498100 step time: 00:00:00.325187 Performance: 38.322 ns/day 0.626 hours/ns 2.218 steps/s 2024-05-20 09:02:59,623 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 498100 99620 70.865 -28391 7766.8 -36158 -36158 4.0013 -11.014 1.3245 9.4419e+05 2024-05-20 09:03:31,933 INFO [main.py:798]
{rank 0/64} MD step = 498200 step time: 00:00:00.326650 Performance: 38.323 ns/day 0.626 hours/ns 2.218 steps/s 2024-05-20 09:03:37,577 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 498200 99640 69.628 -28495 7631.3 -36126 -36126 4.0012 -11.014 1.3259 9.4438e+05 2024-05-20 09:04:09,876 INFO [main.py:798]
{rank 0/64} MD step = 498300 step time: 00:00:00.327670 Performance: 38.324 ns/day 0.626 hours/ns 2.218 steps/s 2024-05-20 09:04:15,481 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 498300 99660 69.807 -28569 7651 -36220 -36220 4.0011 -11.015 1.3256 9.4455e+05 2024-05-20 09:04:48,942 INFO [main.py:798]
{rank 0/64} MD step = 498400 step time: 00:00:00.325980 Performance: 38.325 ns/day 0.626 hours/ns 2.218 steps/s 2024-05-20 09:04:55,306 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 498400 99680 70.263 -28409 7700.9 -36110 -36110 4.0006 -11.017 1.3265 9.4476e+05 2024-05-20 09:05:27,770 INFO [main.py:798]
{rank 0/64} MD step = 498500 step time: 00:00:00.324687 Performance: 38.326 ns/day 0.626 hours/ns 2.218 steps/s 2024-05-20 09:05:34,914 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 498500 99700 69.639 -28432 7632.6 -36065 -36065 4.0004 -11.019 1.3278 9.4493e+05 2024-05-20 09:06:07,700 INFO [main.py:798]
{rank 0/64} MD step = 498600 step time: 00:00:00.325375 Performance: 38.327 ns/day 0.626 hours/ns 2.218 steps/s 2024-05-20 09:06:13,646 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 498600 99720 70.204 -28363 7694.5 -36057 -36057 4.0007 -11.021 1.3296 9.4513e+05 2024-05-20 09:06:46,121 INFO [main.py:798]
{rank 0/64} MD step = 498700 step time: 00:00:00.326286 Performance: 38.328 ns/day 0.626 hours/ns 2.218 steps/s 2024-05-20 09:06:51,168 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 498700 99740 70.782 -28393 7757.8 -36150 -36150 4.0016 -11.023 1.3304 9.4531e+05 2024-05-20 09:07:24,972 INFO [main.py:798]
{rank 0/64} MD step = 498800 step time: 00:00:00.340436 Performance: 38.329 ns/day 0.626 hours/ns 2.218 steps/s 2024-05-20 09:07:30,797 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 498800 99760 70.675 -28410 7746 -36156 -36156 4.0004 -11.025 1.3316 9.4551e+05 2024-05-20 09:08:03,149 INFO [main.py:798]
{rank 0/64} MD step = 498900 step time: 00:00:00.324584 Performance: 38.331 ns/day 0.626 hours/ns 2.218 steps/s 2024-05-20 09:08:09,296 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 498900 99780 70.116 -28446 7684.8 -36131 -36131 3.9991 -11.028 1.3333 9.4573e+05 2024-05-20 09:08:41,884 INFO [main.py:798]
{rank 0/64} MD step = 499000 step time: 00:00:00.324985 Performance: 38.332 ns/day 0.626 hours/ns 2.218 steps/s 2024-05-20 09:08:51,395 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 499000 99800 69.923 -28373 7663.7 -36037 -36037 4.0003 -11.03 1.3348 9.4595e+05 2024-05-20 09:09:25,343 INFO [main.py:798]
{rank 0/64} MD step = 499100 step time: 00:00:00.325392 Performance: 38.332 ns/day 0.626 hours/ns 2.218 steps/s 2024-05-20 09:09:30,661 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 499100 99820 70.102 -28407 7683.3 -36090 -36090 4.0001 -11.032 1.3369 9.4608e+05 2024-05-20 09:10:04,624 INFO [main.py:798]
{rank 0/64} MD step = 499200 step time: 00:00:00.326148 Performance: 38.333 ns/day 0.626 hours/ns 2.218 steps/s 2024-05-20 09:10:10,301 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 499200 99840 69.582 -28349 7626.3 -35975 -35975 4.0013 -11.035 1.3384 9.4626e+05 2024-05-20 09:10:43,351 INFO [main.py:798]
{rank 0/64} MD step = 499300 step time: 00:00:00.325687 Performance: 38.334 ns/day 0.626 hours/ns 2.218 steps/s 2024-05-20 09:10:49,593 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 499300 99860 69.624 -28392 7630.9 -36023 -36023 4.0009 -11.036 1.3391 9.4643e+05 2024-05-20 09:11:22,800 INFO [main.py:798]
{rank 0/64} MD step = 499400 step time: 00:00:00.325519 Performance: 38.335 ns/day 0.626 hours/ns 2.218 steps/s 2024-05-20 09:11:28,592 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 499400 99880 69.697 -28448 7638.8 -36087 -36087 3.9985 -11.038 1.3399 9.466e+05 2024-05-20 09:12:03,903 INFO [main.py:798]
{rank 0/64} MD step = 499500 step time: 00:00:00.324802 Performance: 38.336 ns/day 0.626 hours/ns 2.218 steps/s 2024-05-20 09:12:09,686 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 499500 99900 69.926 -28406 7663.9 -36070 -36070 3.999 -11.04 1.3419 9.4682e+05 2024-05-20 09:12:42,043 INFO [main.py:798]
{rank 0/64} MD step = 499600 step time: 00:00:00.326715 Performance: 38.337 ns/day 0.626 hours/ns 2.219 steps/s 2024-05-20 09:12:48,714 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 499600 99920 70.359 -28470 7711.4 -36181 -36181 3.9987 -11.04 1.3412 9.4701e+05 2024-05-20 09:13:21,011 INFO [main.py:798]
{rank 0/64} MD step = 499700 step time: 00:00:00.325429 Performance: 38.338 ns/day 0.626 hours/ns 2.219 steps/s 2024-05-20 09:13:27,999 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 499700 99940 70.341 -28398 7709.4 -36108 -36108 4.0001 -11.042 1.3442 9.4721e+05 2024-05-20 09:14:00,519 INFO [main.py:798]
{rank 0/64} MD step = 499800 step time: 00:00:00.325786 Performance: 38.339 ns/day 0.626 hours/ns 2.219 steps/s 2024-05-20 09:14:08,017 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 499800 99960 69.793 -28432 7649.4 -36082 -36082 4.0001 -11.041 1.3451 9.4736e+05 2024-05-20 09:14:40,320 INFO [main.py:798]
{rank 0/64} MD step = 499900 step time: 00:00:00.324880 Performance: 38.340 ns/day 0.626 hours/ns 2.219 steps/s 2024-05-20 09:14:46,027 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 499900 99980 69.722 -28258 7641.6 -35899 -35899 3.9999 -11.043 1.3451 9.4757e+05 2024-05-20 09:15:18,633 INFO [main.py:798]
{rank 0/64} MD step = 500000 step time: 00:00:00.324830 Performance: 38.341 ns/day 0.626 hours/ns 2.219 steps/s 2024-05-20 09:15:27,232 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 500000 1e+05 68.97 -28452 7559.2 -36012 -36012 3.9992 -11.045 1.3459 9.4776e+05 2024-05-20 09:15:27,274 INFO [main.py:1449]
{rank 0/64} Elapsed time: 2 days 14:36:50.457299 Setup time: 00:00:54.447381 MD loop time: 2 days 14:35:56.009918