2024-05-16 18:56:44,111 INFO [configure_runtime.py:176] {rank 0/64} __ __ ____ __ _______ / / / /_ __/ / /__ _________ _____ ______ / |/ / __ \ / /_/ / / / / / / _ \/ ___/ __ `/ __ `/ ___/ / /|_/ / / / / / __ / /_/ / / / __/ / / /_/ / /_/ (__ ) / / / / /_/ / /_/ /_/\__, /_/_/\___/_/ \__,_/\__,_/____/ /_/ /_/_____/ /____/ Version 2.1.0 PLEASE READ AND CITE THE REFERENCES BELOW: [1] Ledum, M.; Sen, S.; Li, X.; Carrer, M.; Feng Y.; Cascella, M.; Bore, S. L. HylleraasMD: A Domain Decomposition-Based Hybrid Particle-Field Software for Multi-Scale Simulations of Soft Matter. J. Chem. Theory Comput. 2023. [2] Ledum, M.; Carrer, M.; Sen, S.; Li, X.; Cascella, M.; Bore, S. L. HyMD: Massively parallel hybrid particle-field molecular dynamics in Python. J. Open Source Softw. 8(84), 4149, 2023. [3] Sen, S.; Ledum, M.; Bore, S. L.; Cascella, M. Soft Matter under Pressure: Pushing Particle–Field Molecular Dynamics to the Isobaric Ensemble. J Chem Inf Model 2023, 63(7), 1549-9596. [4] Bore, S. L.; Cascella, M. Hamiltonian and alias-free hybrid particle–field molecular dynamics. J. Chem. Phys. 2020, 153, 094106. [5] Pippig, M. PFFT: An extension of FFTW to massively parallel architectures. SIAM J. Sci. Comput. 2013, 35, C213–C236. 2024-05-16 18:56:44,113 INFO [configure_runtime.py:200] {rank 0/64} Attempting to parse config file out_tempseries_test/a=11.60/T=60/config.tomli as .toml 2024-05-16 18:56:44,384 INFO [configure_runtime.py:222] {rank 0/64} Successfully parsed out_tempseries_test/a=11.60/T=60/config.tomli as .toml file 2024-05-16 18:56:44,384 INFO [configure_runtime.py:226] {rank 0/64} Config: /cluster/work/jobs/900357/out_tempseries_test/a=11.60/T=60/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: 60 target_temperature: 60 mass: 39.948 hamiltonian: DefaultWithChi domain_decomposition: None integrator: velocity-verlet respa_inner: 1 file_name: /cluster/work/jobs/900357/out_tempseries_test/a=11.60/T=60/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=60/config.tomli out_tempseries_test/a=11.60/T=60/input.h5 --logfile=log.txt --verbose 2 --velocity-output --destdir out_tempseries_test/a=11.60/T=60 --disable-bonds target_pressure: P_L: None P_N: None bonds: angle_bonds: dihedrals: chi: H H: 1.0 2024-05-16 18:56:57,650 WARNING [input_parser.py:1152] {rank 0/64} config.n_b not specified.Defaulting to 1 2024-05-16 18:56:58,087 INFO [thermostat.py:36] {rank 0/64} Initialized 8788 velocities, target kinetic energy: 6576.074364132, actual kinetic energy generated: 6576.074517560006 2024-05-16 18:57:09,451 INFO [main.py:252]
{rank 0/64} pfft-python processor mesh: (8, 8) 2024-05-16 18:57:21,139 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 0 0 60 -31982 6576.1 -38558 -38558 -0.00026668 0.00019049 -0.00019049 0 2024-05-16 18:57:21,140 INFO [main.py:766]
{rank 0/64} MD step = 1 2024-05-16 18:57:58,107 INFO [main.py:798]
{rank 0/64} MD step = 100 step time: 00:00:00.343529 Performance: 47.212 ns/day 0.508 hours/ns 2.732 steps/s 2024-05-16 18:58:05,600 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 59.758 -32050 6549.6 -38599 -38599 -0.0034288 -0.0066099 -0.0018763 264.01 2024-05-16 18:58:42,563 INFO [main.py:798]
{rank 0/64} MD step = 200 step time: 00:00:00.327181 Performance: 42.657 ns/day 0.563 hours/ns 2.469 steps/s 2024-05-16 18:58:51,222 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200 40 59.592 -31978 6531.4 -38509 -38509 -0.0060194 -0.011353 -0.0013144 436.12 2024-05-16 18:59:25,970 INFO [main.py:798]
{rank 0/64} MD step = 300 step time: 00:00:00.356313 Performance: 41.667 ns/day 0.576 hours/ns 2.411 steps/s 2024-05-16 18:59:32,015 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300 60 60.171 -31951 6594.8 -38546 -38546 -0.0088576 -0.018144 -0.0012858 589.87 2024-05-16 19:00:06,663 INFO [main.py:798]
{rank 0/64} MD step = 400 step time: 00:00:00.356936 Performance: 41.863 ns/day 0.573 hours/ns 2.423 steps/s 2024-05-16 19:00:14,289 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 59.932 -32003 6568.6 -38571 -38571 -0.011686 -0.023582 -0.0024192 760.45 2024-05-16 19:00:49,351 INFO [main.py:798]
{rank 0/64} MD step = 500 step time: 00:00:00.332999 Performance: 41.579 ns/day 0.577 hours/ns 2.406 steps/s 2024-05-16 19:00:54,752 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 500 100 60.046 -32048 6581.1 -38629 -38629 -0.016668 -0.028716 -0.0022477 921.42 2024-05-16 19:01:29,898 INFO [main.py:798]
{rank 0/64} MD step = 600 step time: 00:00:00.333420 Performance: 41.748 ns/day 0.575 hours/ns 2.416 steps/s 2024-05-16 19:01:36,046 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 60.749 -31853 6658.2 -38511 -38511 -0.020134 -0.034059 -0.0038097 1098.1 2024-05-16 19:02:10,961 INFO [main.py:798]
{rank 0/64} MD step = 700 step time: 00:00:00.334609 Performance: 41.796 ns/day 0.574 hours/ns 2.419 steps/s 2024-05-16 19:02:17,046 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 700 140 60.149 -31866 6592.4 -38458 -38458 -0.024306 -0.039428 -0.0043622 1268.8 2024-05-16 19:02:52,201 INFO [main.py:798]
{rank 0/64} MD step = 800 step time: 00:00:00.328909 Performance: 41.809 ns/day 0.574 hours/ns 2.419 steps/s 2024-05-16 19:03:01,101 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 59.927 -31925 6568.1 -38493 -38493 -0.027811 -0.044481 -0.0047907 1452.6 2024-05-16 19:03:37,734 INFO [main.py:798]
{rank 0/64} MD step = 900 step time: 00:00:00.353980 Performance: 41.342 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 19:03:43,254 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 900 180 59.646 -32047 6537.3 -38585 -38585 -0.032268 -0.051431 -0.0047241 1606 2024-05-16 19:04:18,365 INFO [main.py:798]
{rank 0/64} MD step = 1000 step time: 00:00:00.347413 Performance: 41.458 ns/day 0.579 hours/ns 2.399 steps/s 2024-05-16 19:04:26,660 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1000 200 60.007 -31943 6576.9 -38520 -38520 -0.034992 -0.057118 -0.0055051 1781.6 2024-05-16 19:05:01,480 INFO [main.py:798]
{rank 0/64} MD step = 1100 step time: 00:00:00.351817 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 19:05:07,576 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 60.376 -31994 6617.3 -38611 -38611 -0.039583 -0.063832 -0.0069718 1921.1 2024-05-16 19:05:44,091 INFO [main.py:798]
{rank 0/64} MD step = 1200 step time: 00:00:00.366626 Performance: 41.263 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-16 19:05:49,104 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 60.168 -32042 6594.5 -38637 -38637 -0.043193 -0.07079 -0.0075433 2101.4 2024-05-16 19:06:23,896 INFO [main.py:798]
{rank 0/64} MD step = 1300 step time: 00:00:00.354257 Performance: 41.421 ns/day 0.579 hours/ns 2.397 steps/s 2024-05-16 19:06:28,349 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 60.639 -31946 6646.1 -38592 -38592 -0.047393 -0.076271 -0.007429 2305.1 2024-05-16 19:07:04,305 INFO [main.py:798]
{rank 0/64} MD step = 1400 step time: 00:00:00.360530 Performance: 41.514 ns/day 0.578 hours/ns 2.402 steps/s 2024-05-16 19:07:09,985 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1400 280 60.415 -31807 6621.5 -38429 -38429 -0.051317 -0.080728 -0.0066147 2511.7 2024-05-16 19:07:46,107 INFO [main.py:798]
{rank 0/64} MD step = 1500 step time: 00:00:00.380065 Performance: 41.502 ns/day 0.578 hours/ns 2.402 steps/s 2024-05-16 19:07:53,513 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 60.655 -31956 6647.8 -38603 -38603 -0.055217 -0.086286 -0.006267 2619.6 2024-05-16 19:08:28,682 INFO [main.py:798]
{rank 0/64} MD step = 1600 step time: 00:00:00.361130 Performance: 41.443 ns/day 0.579 hours/ns 2.398 steps/s 2024-05-16 19:08:34,428 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1600 320 60.126 -31866 6589.9 -38456 -38456 -0.058908 -0.090062 -0.0058099 2832.4 2024-05-16 19:09:09,410 INFO [main.py:798]
{rank 0/64} MD step = 1700 step time: 00:00:00.346439 Performance: 41.500 ns/day 0.578 hours/ns 2.402 steps/s 2024-05-16 19:09:14,527 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1700 340 60.889 -31856 6673.6 -38529 -38529 -0.06327 -0.09772 -0.0061242 2986.5 2024-05-16 19:09:51,293 INFO [main.py:798]
{rank 0/64} MD step = 1800 step time: 00:00:00.355710 Performance: 41.487 ns/day 0.579 hours/ns 2.401 steps/s 2024-05-16 19:09:57,160 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 60.296 -31885 6608.5 -38494 -38494 -0.065775 -0.1036 -0.0071623 3144.8 2024-05-16 19:10:31,738 INFO [main.py:798]
{rank 0/64} MD step = 1900 step time: 00:00:00.349219 Performance: 41.550 ns/day 0.578 hours/ns 2.405 steps/s 2024-05-16 19:10:37,208 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1900 380 60.204 -31999 6598.4 -38597 -38597 -0.069909 -0.10827 -0.0071433 3316.2 2024-05-16 19:11:12,623 INFO [main.py:798]
{rank 0/64} MD step = 2000 step time: 00:00:00.356495 Performance: 41.585 ns/day 0.577 hours/ns 2.407 steps/s 2024-05-16 19:11:17,831 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2000 400 59.652 -31929 6537.9 -38467 -38467 -0.072395 -0.11272 -0.0084671 3526 2024-05-16 19:11:52,652 INFO [main.py:798]
{rank 0/64} MD step = 2100 step time: 00:00:00.358492 Performance: 41.658 ns/day 0.576 hours/ns 2.411 steps/s 2024-05-16 19:11:58,437 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2100 420 60.902 -31837 6674.9 -38512 -38512 -0.075414 -0.11894 -0.0090481 3720.4 2024-05-16 19:12:33,037 INFO [main.py:798]
{rank 0/64} MD step = 2200 step time: 00:00:00.357502 Performance: 41.708 ns/day 0.575 hours/ns 2.414 steps/s 2024-05-16 19:12:39,812 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 59.336 -31870 6503.3 -38373 -38373 -0.077052 -0.12606 -0.0094672 3908.9 2024-05-16 19:13:14,015 INFO [main.py:798]
{rank 0/64} MD step = 2300 step time: 00:00:00.354332 Performance: 41.728 ns/day 0.575 hours/ns 2.415 steps/s 2024-05-16 19:13:24,203 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2300 460 59.273 -31972 6496.4 -38468 -38468 -0.081871 -0.13254 -0.010801 4040.9 2024-05-16 19:14:01,484 INFO [main.py:798]
{rank 0/64} MD step = 2400 step time: 00:00:00.364624 Performance: 41.475 ns/day 0.579 hours/ns 2.400 steps/s 2024-05-16 19:14:11,750 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2400 480 59.544 -32087 6526.1 -38614 -38614 -0.085795 -0.13693 -0.011544 4190.3 2024-05-16 19:14:45,830 INFO [main.py:798]
{rank 0/64} MD step = 2500 step time: 00:00:00.342474 Performance: 41.368 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-16 19:14:52,567 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2500 500 59.629 -31932 6535.4 -38468 -38468 -0.090455 -0.14258 -0.013048 4409.5 2024-05-16 19:15:28,347 INFO [main.py:798]
{rank 0/64} MD step = 2600 step time: 00:00:00.352872 Performance: 41.340 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 19:15:35,829 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 59.343 -32065 6504.1 -38570 -38570 -0.092634 -0.1471 -0.014096 4614.5 2024-05-16 19:16:10,453 INFO [main.py:798]
{rank 0/64} MD step = 2700 step time: 00:00:00.338391 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 19:16:15,582 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2700 540 60.391 -31995 6618.9 -38614 -38614 -0.096101 -0.153 -0.013429 4781.8 2024-05-16 19:16:50,400 INFO [main.py:798]
{rank 0/64} MD step = 2800 step time: 00:00:00.363377 Performance: 41.395 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-16 19:16:58,727 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 60.329 -31886 6612.2 -38498 -38498 -0.10004 -0.15763 -0.014591 4969 2024-05-16 19:17:34,111 INFO [main.py:798]
{rank 0/64} MD step = 2900 step time: 00:00:00.350679 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 19:17:39,242 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 60.162 -31918 6593.8 -38512 -38512 -0.1038 -0.16149 -0.012953 5162.6 2024-05-16 19:18:13,296 INFO [main.py:798]
{rank 0/64} MD step = 3000 step time: 00:00:00.338913 Performance: 41.414 ns/day 0.580 hours/ns 2.397 steps/s 2024-05-16 19:18:17,910 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3000 600 59.758 -31993 6549.5 -38543 -38543 -0.10635 -0.16642 -0.013829 5339.1 2024-05-16 19:18:54,479 INFO [main.py:798]
{rank 0/64} MD step = 3100 step time: 00:00:00.355122 Performance: 41.432 ns/day 0.579 hours/ns 2.398 steps/s 2024-05-16 19:18:59,982 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 60.773 -31914 6660.8 -38574 -38574 -0.11046 -0.17254 -0.01502 5485.8 2024-05-16 19:19:34,306 INFO [main.py:798]
{rank 0/64} MD step = 3200 step time: 00:00:00.358514 Performance: 41.490 ns/day 0.578 hours/ns 2.401 steps/s 2024-05-16 19:19:40,461 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 60.803 -31889 6664.1 -38553 -38553 -0.11475 -0.17801 -0.013915 5693.1 2024-05-16 19:20:16,329 INFO [main.py:798]
{rank 0/64} MD step = 3300 step time: 00:00:00.372203 Performance: 41.479 ns/day 0.579 hours/ns 2.400 steps/s 2024-05-16 19:20:21,680 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3300 660 59.476 -31921 6518.6 -38439 -38439 -0.11763 -0.18347 -0.01402 5882 2024-05-16 19:20:56,273 INFO [main.py:798]
{rank 0/64} MD step = 3400 step time: 00:00:00.349331 Performance: 41.529 ns/day 0.578 hours/ns 2.403 steps/s 2024-05-16 19:21:02,960 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 59.754 -31975 6549.1 -38524 -38524 -0.1225 -0.18889 -0.015468 6031.6 2024-05-16 19:21:38,361 INFO [main.py:798]
{rank 0/64} MD step = 3500 step time: 00:00:00.364288 Performance: 41.516 ns/day 0.578 hours/ns 2.403 steps/s 2024-05-16 19:21:47,281 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3500 700 60.499 -31896 6630.8 -38526 -38526 -0.12551 -0.19405 -0.015391 6213.5 2024-05-16 19:22:22,890 INFO [main.py:798]
{rank 0/64} MD step = 3600 step time: 00:00:00.346264 Performance: 41.435 ns/day 0.579 hours/ns 2.398 steps/s 2024-05-16 19:22:31,093 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3600 720 59.69 -32006 6542.1 -38548 -38548 -0.12799 -0.19879 -0.015772 6404.1 2024-05-16 19:23:08,138 INFO [main.py:798]
{rank 0/64} MD step = 3700 step time: 00:00:00.373238 Performance: 41.340 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 19:23:15,407 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 60.156 -31919 6593.2 -38512 -38512 -0.12907 -0.20384 -0.017601 6583.8 2024-05-16 19:23:51,886 INFO [main.py:798]
{rank 0/64} MD step = 3800 step time: 00:00:00.375094 Performance: 41.290 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-16 19:24:04,733 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3800 760 59.9 -31913 6565.1 -38478 -38478 -0.13226 -0.20759 -0.018211 6755.9 2024-05-16 19:24:39,825 INFO [main.py:798]
{rank 0/64} MD step = 3900 step time: 00:00:00.327904 Performance: 41.136 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-16 19:24:46,506 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 58.687 -32017 6432.2 -38449 -38449 -0.13591 -0.21302 -0.019296 6941.2 2024-05-16 19:25:21,699 INFO [main.py:798]
{rank 0/64} MD step = 4000 step time: 00:00:00.328477 Performance: 41.139 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-16 19:25:26,876 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 59.999 -31985 6576 -38561 -38561 -0.13995 -0.21735 -0.018849 7096.3 2024-05-16 19:26:01,953 INFO [main.py:798]
{rank 0/64} MD step = 4100 step time: 00:00:00.333047 Performance: 41.181 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-16 19:26:07,607 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 58.963 -32107 6462.4 -38569 -38569 -0.14308 -0.22314 -0.019173 7256.4 2024-05-16 19:26:42,714 INFO [main.py:798]
{rank 0/64} MD step = 4200 step time: 00:00:00.329206 Performance: 41.209 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-16 19:26:48,358 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4200 840 59.914 -31815 6566.6 -38382 -38382 -0.14661 -0.22904 -0.018572 7486.6 2024-05-16 19:27:23,455 INFO [main.py:798]
{rank 0/64} MD step = 4300 step time: 00:00:00.330835 Performance: 41.237 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-16 19:27:27,534 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4300 860 59.736 -32075 6547.1 -38622 -38622 -0.15003 -0.23557 -0.01922 7626.7 2024-05-16 19:28:03,561 INFO [main.py:798]
{rank 0/64} MD step = 4400 step time: 00:00:00.330750 Performance: 41.277 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-16 19:28:12,368 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 60.561 -31777 6637.5 -38414 -38414 -0.15501 -0.24288 -0.01982 7825.6 2024-05-16 19:28:46,377 INFO [main.py:798]
{rank 0/64} MD step = 4500 step time: 00:00:00.350764 Performance: 41.256 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-16 19:28:52,558 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4500 900 60.081 -32137 6584.9 -38722 -38722 -0.15918 -0.24697 -0.020649 7955.8 2024-05-16 19:29:30,781 INFO [main.py:798]
{rank 0/64} MD step = 4600 step time: 00:00:00.377262 Performance: 41.202 ns/day 0.582 hours/ns 2.384 steps/s 2024-05-16 19:29:37,549 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 60.216 -31920 6599.8 -38520 -38520 -0.16151 -0.25175 -0.020439 8161.1 2024-05-16 19:30:11,818 INFO [main.py:798]
{rank 0/64} MD step = 4700 step time: 00:00:00.336412 Performance: 41.221 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-16 19:30:15,519 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 58.856 -32114 6450.7 -38565 -38565 -0.16484 -0.25735 -0.021487 8338.9 2024-05-16 19:30:51,795 INFO [main.py:798]
{rank 0/64} MD step = 4800 step time: 00:00:00.354227 Performance: 41.261 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-16 19:30:57,508 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4800 960 60.665 -31953 6649 -38602 -38602 -0.16886 -0.26238 -0.018877 8492.8 2024-05-16 19:31:33,114 INFO [main.py:798]
{rank 0/64} MD step = 4900 step time: 00:00:00.354210 Performance: 41.272 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-16 19:31:40,963 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 60.48 -31843 6628.7 -38471 -38471 -0.173 -0.26756 -0.019125 8709.7 2024-05-16 19:32:17,202 INFO [main.py:798]
{rank 0/64} MD step = 5000 step time: 00:00:00.358329 Performance: 41.228 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-16 19:32:23,162 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5000 1000 59.844 -31817 6559 -38376 -38376 -0.1784 -0.27255 -0.019182 8864.9 2024-05-16 19:32:58,038 INFO [main.py:798]
{rank 0/64} MD step = 5100 step time: 00:00:00.353160 Performance: 41.249 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-16 19:33:02,090 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5100 1020 59.629 -31998 6535.4 -38534 -38534 -0.18243 -0.27607 -0.019039 9028.6 2024-05-16 19:33:39,569 INFO [main.py:798]
{rank 0/64} MD step = 5200 step time: 00:00:00.337825 Performance: 41.256 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-16 19:33:44,914 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5200 1040 60.717 -31791 6654.7 -38446 -38446 -0.18769 -0.28069 -0.017563 9242.3 2024-05-16 19:34:20,783 INFO [main.py:798]
{rank 0/64} MD step = 5300 step time: 00:00:00.349084 Performance: 41.268 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-16 19:34:25,226 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 59.869 -32030 6561.7 -38592 -38592 -0.19311 -0.28584 -0.016106 9406.1 2024-05-16 19:35:00,292 INFO [main.py:798]
{rank 0/64} MD step = 5400 step time: 00:00:00.349983 Performance: 41.312 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-16 19:35:06,706 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5400 1080 60.499 -31967 6630.7 -38598 -38598 -0.19609 -0.292 -0.016249 9588.2 2024-05-16 19:35:41,428 INFO [main.py:798]
{rank 0/64} MD step = 5500 step time: 00:00:00.337496 Performance: 41.324 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-16 19:35:48,736 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5500 1100 60.317 -31998 6610.8 -38609 -38609 -0.2011 -0.29685 -0.017049 9754.8 2024-05-16 19:36:25,754 INFO [main.py:798]
{rank 0/64} MD step = 5600 step time: 00:00:00.330629 Performance: 41.280 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-16 19:36:35,468 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 59.368 -32053 6506.8 -38560 -38560 -0.20403 -0.3015 -0.017125 9982.1 2024-05-16 19:37:10,759 INFO [main.py:798]
{rank 0/64} MD step = 5700 step time: 00:00:00.333242 Performance: 41.226 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-16 19:37:15,297 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5700 1140 59.737 -32041 6547.3 -38588 -38588 -0.20902 -0.30618 -0.017887 10125 2024-05-16 19:37:51,667 INFO [main.py:798]
{rank 0/64} MD step = 5800 step time: 00:00:00.330268 Performance: 41.243 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-16 19:37:58,382 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5800 1160 59.647 -31914 6537.4 -38451 -38451 -0.21313 -0.31185 -0.018515 10319 2024-05-16 19:38:32,579 INFO [main.py:798]
{rank 0/64} MD step = 5900 step time: 00:00:00.328953 Performance: 41.259 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-16 19:38:37,803 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5900 1180 59.14 -32056 6481.8 -38538 -38538 -0.2172 -0.31766 -0.01702 10443 2024-05-16 19:39:13,999 INFO [main.py:798]
{rank 0/64} MD step = 6000 step time: 00:00:00.328642 Performance: 41.267 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-16 19:39:19,503 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 59.878 -32098 6562.7 -38660 -38660 -0.22138 -0.32299 -0.016725 10580 2024-05-16 19:39:53,787 INFO [main.py:798]
{rank 0/64} MD step = 6100 step time: 00:00:00.333055 Performance: 41.300 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-16 19:39:59,448 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6100 1220 60.005 -32140 6576.6 -38716 -38716 -0.225 -0.32885 -0.016001 10781 2024-05-16 19:40:34,438 INFO [main.py:798]
{rank 0/64} MD step = 6200 step time: 00:00:00.328955 Performance: 41.319 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-16 19:40:39,780 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 60.136 -31940 6591 -38531 -38531 -0.23053 -0.33459 -0.017049 10975 2024-05-16 19:41:14,204 INFO [main.py:798]
{rank 0/64} MD step = 6300 step time: 00:00:00.331288 Performance: 41.352 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 19:41:19,767 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6300 1260 60.275 -31916 6606.2 -38522 -38522 -0.23349 -0.33886 -0.016039 11134 2024-05-16 19:41:55,586 INFO [main.py:798]
{rank 0/64} MD step = 6400 step time: 00:00:00.333030 Performance: 41.358 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 19:42:03,064 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6400 1280 60.077 -31912 6584.5 -38496 -38496 -0.23613 -0.34438 -0.017449 11315 2024-05-16 19:42:37,814 INFO [main.py:798]
{rank 0/64} MD step = 6500 step time: 00:00:00.330663 Performance: 41.351 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 19:42:42,967 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6500 1300 59.827 -31868 6557.1 -38425 -38425 -0.24026 -0.3503 -0.017411 11530 2024-05-16 19:43:18,540 INFO [main.py:798]
{rank 0/64} MD step = 6600 step time: 00:00:00.345135 Performance: 41.367 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-16 19:43:24,272 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 60.122 -31775 6589.5 -38364 -38364 -0.24361 -0.35545 -0.018134 11738 2024-05-16 19:44:00,221 INFO [main.py:798]
{rank 0/64} MD step = 6700 step time: 00:00:00.334581 Performance: 41.368 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-16 19:44:05,163 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 59.952 -32004 6570.8 -38575 -38575 -0.2486 -0.36085 -0.01943 11852 2024-05-16 19:44:39,973 INFO [main.py:798]
{rank 0/64} MD step = 6800 step time: 00:00:00.330480 Performance: 41.398 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-16 19:44:46,010 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6800 1360 60.273 -31955 6606 -38561 -38561 -0.2547 -0.36651 -0.020687 12043 2024-05-16 19:45:20,499 INFO [main.py:798]
{rank 0/64} MD step = 6900 step time: 00:00:00.360121 Performance: 41.415 ns/day 0.579 hours/ns 2.397 steps/s 2024-05-16 19:45:26,406 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 59.515 -31946 6522.9 -38469 -38469 -0.26014 -0.37164 -0.021163 12216 2024-05-16 19:46:00,706 INFO [main.py:798]
{rank 0/64} MD step = 7000 step time: 00:00:00.341010 Performance: 41.437 ns/day 0.579 hours/ns 2.398 steps/s 2024-05-16 19:46:13,180 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7000 1400 60.794 -31719 6663.1 -38382 -38382 -0.26438 -0.37673 -0.020039 12411 2024-05-16 19:46:47,815 INFO [main.py:798]
{rank 0/64} MD step = 7100 step time: 00:00:00.348148 Performance: 41.361 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-16 19:46:53,250 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 60.504 -31790 6631.3 -38422 -38422 -0.26802 -0.38112 -0.02023 12581 2024-05-16 19:47:28,089 INFO [main.py:798]
{rank 0/64} MD step = 7200 step time: 00:00:00.354751 Performance: 41.382 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-16 19:47:33,821 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7200 1440 60.136 -31953 6590.9 -38544 -38544 -0.27242 -0.38687 -0.020211 12715 2024-05-16 19:48:08,813 INFO [main.py:798]
{rank 0/64} MD step = 7300 step time: 00:00:00.352666 Performance: 41.396 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-16 19:48:15,297 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7300 1460 59.643 -31957 6537 -38494 -38494 -0.27576 -0.39263 -0.019887 12915 2024-05-16 19:48:49,482 INFO [main.py:798]
{rank 0/64} MD step = 7400 step time: 00:00:00.340285 Performance: 41.410 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-16 19:48:55,659 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7400 1480 60.747 -31779 6657.9 -38437 -38437 -0.28041 -0.39802 -0.020687 13102 2024-05-16 19:49:30,069 INFO [main.py:798]
{rank 0/64} MD step = 7500 step time: 00:00:00.356004 Performance: 41.425 ns/day 0.579 hours/ns 2.397 steps/s 2024-05-16 19:49:40,202 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7500 1500 60.25 -31891 6603.4 -38494 -38494 -0.28434 -0.40338 -0.020239 13283 2024-05-16 19:50:15,860 INFO [main.py:798]
{rank 0/64} MD step = 7600 step time: 00:00:00.355862 Performance: 41.372 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-16 19:50:21,178 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 59.703 -32085 6543.5 -38629 -38629 -0.28813 -0.4074 -0.020192 13456 2024-05-16 19:50:57,623 INFO [main.py:798]
{rank 0/64} MD step = 7700 step time: 00:00:00.358458 Performance: 41.372 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-16 19:51:03,050 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7700 1540 59.516 -31991 6523 -38514 -38514 -0.29171 -0.41183 -0.020011 13643 2024-05-16 19:51:38,563 INFO [main.py:798]
{rank 0/64} MD step = 7800 step time: 00:00:00.350328 Performance: 41.383 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-16 19:51:43,889 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 59.793 -32052 6553.4 -38605 -38605 -0.29503 -0.4177 -0.021373 13814 2024-05-16 19:52:18,021 INFO [main.py:798]
{rank 0/64} MD step = 7900 step time: 00:00:00.344608 Performance: 41.412 ns/day 0.580 hours/ns 2.397 steps/s 2024-05-16 19:52:24,735 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7900 1580 59.767 -32068 6550.5 -38618 -38618 -0.29855 -0.42261 -0.023882 13980 2024-05-16 19:52:59,167 INFO [main.py:798]
{rank 0/64} MD step = 8000 step time: 00:00:00.359123 Performance: 41.419 ns/day 0.579 hours/ns 2.397 steps/s 2024-05-16 19:53:04,599 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8000 1600 59.726 -32088 6546.1 -38635 -38635 -0.30265 -0.42833 -0.024297 14170 2024-05-16 19:53:39,767 INFO [main.py:798]
{rank 0/64} MD step = 8100 step time: 00:00:00.363387 Performance: 41.433 ns/day 0.579 hours/ns 2.398 steps/s 2024-05-16 19:53:47,183 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8100 1620 59.46 -32181 6516.9 -38698 -38698 -0.30599 -0.43324 -0.023373 14324 2024-05-16 19:54:21,724 INFO [main.py:798]
{rank 0/64} MD step = 8200 step time: 00:00:00.354575 Performance: 41.430 ns/day 0.579 hours/ns 2.398 steps/s 2024-05-16 19:54:30,769 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 59.506 -32091 6522 -38613 -38613 -0.30867 -0.43784 -0.024625 14517 2024-05-16 19:55:05,245 INFO [main.py:798]
{rank 0/64} MD step = 8300 step time: 00:00:00.346676 Performance: 41.408 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-16 19:55:10,563 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 59.898 -32025 6564.9 -38590 -38590 -0.31282 -0.44248 -0.024735 14662 2024-05-16 19:55:46,636 INFO [main.py:798]
{rank 0/64} MD step = 8400 step time: 00:00:00.372381 Performance: 41.412 ns/day 0.580 hours/ns 2.397 steps/s 2024-05-16 19:55:51,764 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8400 1680 60.588 -31910 6640.6 -38550 -38550 -0.31693 -0.44764 -0.026725 14845 2024-05-16 19:56:27,003 INFO [main.py:798]
{rank 0/64} MD step = 8500 step time: 00:00:00.377603 Performance: 41.428 ns/day 0.579 hours/ns 2.397 steps/s 2024-05-16 19:56:35,682 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8500 1700 60.614 -31912 6643.3 -38555 -38555 -0.32057 -0.45193 -0.025982 15067 2024-05-16 19:57:11,401 INFO [main.py:798]
{rank 0/64} MD step = 8600 step time: 00:00:00.359527 Performance: 41.397 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-16 19:57:19,421 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 60.306 -31932 6609.6 -38542 -38542 -0.32409 -0.4565 -0.027373 15189 2024-05-16 19:57:54,181 INFO [main.py:798]
{rank 0/64} MD step = 8700 step time: 00:00:00.346083 Performance: 41.385 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-16 19:58:08,373 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8700 1740 59.755 -31901 6549.2 -38450 -38450 -0.32674 -0.4604 -0.027125 15390 2024-05-16 19:58:43,008 INFO [main.py:798]
{rank 0/64} MD step = 8800 step time: 00:00:00.348180 Performance: 41.305 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-16 19:58:48,616 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8800 1760 58.749 -32074 6438.9 -38513 -38513 -0.3307 -0.46607 -0.026411 15548 2024-05-16 19:59:25,054 INFO [main.py:798]
{rank 0/64} MD step = 8900 step time: 00:00:00.355835 Performance: 41.303 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-16 19:59:30,725 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8900 1780 59.694 -31978 6542.5 -38520 -38520 -0.33309 -0.47089 -0.025163 15705 2024-05-16 20:00:06,062 INFO [main.py:798]
{rank 0/64} MD step = 9000 step time: 00:00:00.347500 Performance: 41.312 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-16 20:00:12,066 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 9000 1800 60.693 -31858 6652 -38510 -38510 -0.33545 -0.47544 -0.024763 15883 2024-05-16 20:00:46,996 INFO [main.py:798]
{rank 0/64} MD step = 9100 step time: 00:00:00.342391 Performance: 41.322 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-16 20:00:51,706 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 59.568 -32104 6528.7 -38633 -38633 -0.33903 -0.48028 -0.024573 16028 2024-05-16 20:01:27,112 INFO [main.py:798]
{rank 0/64} MD step = 9200 step time: 00:00:00.351985 Performance: 41.340 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 20:01:32,399 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 9200 1840 60.229 -31921 6601.1 -38522 -38522 -0.3425 -0.48342 -0.025411 16202 2024-05-16 20:02:07,440 INFO [main.py:798]
{rank 0/64} MD step = 9300 step time: 00:00:00.353963 Performance: 41.356 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 20:02:12,491 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 61.492 -31737 6739.6 -38476 -38476 -0.3456 -0.48871 -0.024763 16357 2024-05-16 20:02:46,784 INFO [main.py:798]
{rank 0/64} MD step = 9400 step time: 00:00:00.365753 Performance: 41.382 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-16 20:02:52,789 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 9400 1880 59.897 -31929 6564.8 -38494 -38494 -0.34897 -0.49459 -0.023449 16544 2024-05-16 20:03:27,631 INFO [main.py:798]
{rank 0/64} MD step = 9500 step time: 00:00:00.354877 Performance: 41.391 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-16 20:03:32,721 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 60.435 -31895 6623.8 -38519 -38519 -0.35308 -0.50083 -0.024859 16717 2024-05-16 20:04:07,703 INFO [main.py:798]
{rank 0/64} MD step = 9600 step time: 00:00:00.347353 Performance: 41.408 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-16 20:04:13,522 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 59.729 -31861 6546.4 -38407 -38407 -0.35552 -0.50624 -0.025201 16935 2024-05-16 20:04:49,316 INFO [main.py:798]
{rank 0/64} MD step = 9700 step time: 00:00:00.334777 Performance: 41.410 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-16 20:04:57,898 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 9700 1940 59.02 -32048 6468.6 -38517 -38517 -0.35987 -0.50885 -0.023554 17087 2024-05-16 20:05:32,544 INFO [main.py:798]
{rank 0/64} MD step = 9800 step time: 00:00:00.332215 Performance: 41.394 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-16 20:05:39,279 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 9800 1960 59.588 -32052 6531 -38583 -38583 -0.36446 -0.5138 -0.022096 17252 2024-05-16 20:06:14,493 INFO [main.py:798]
{rank 0/64} MD step = 9900 step time: 00:00:00.327851 Performance: 41.392 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-16 20:06:19,793 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 9900 1980 59.645 -32082 6537.1 -38619 -38619 -0.36838 -0.51797 -0.021792 17403 2024-05-16 20:06:55,757 INFO [main.py:798]
{rank 0/64} MD step = 10000 step time: 00:00:00.332024 Performance: 41.397 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-16 20:07:00,995 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 10000 2000 60.369 -32065 6616.6 -38682 -38682 -0.37194 -0.52277 -0.021906 17588 2024-05-16 20:07:35,609 INFO [main.py:798]
{rank 0/64} MD step = 10100 step time: 00:00:00.336250 Performance: 41.416 ns/day 0.579 hours/ns 2.397 steps/s 2024-05-16 20:07:40,541 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 10100 2020 60.149 -31927 6592.4 -38520 -38520 -0.3751 -0.52705 -0.022582 17751 2024-05-16 20:08:16,209 INFO [main.py:798]
{rank 0/64} MD step = 10200 step time: 00:00:00.331174 Performance: 41.427 ns/day 0.579 hours/ns 2.397 steps/s 2024-05-16 20:08:21,691 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 60.076 -32074 6584.4 -38658 -38658 -0.37899 -0.53186 -0.023144 17914 2024-05-16 20:08:56,342 INFO [main.py:798]
{rank 0/64} MD step = 10300 step time: 00:00:00.332819 Performance: 41.442 ns/day 0.579 hours/ns 2.398 steps/s 2024-05-16 20:09:01,109 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 10300 2060 59.871 -32066 6561.9 -38628 -38628 -0.38231 -0.53904 -0.021906 18076 2024-05-16 20:09:36,307 INFO [main.py:798]
{rank 0/64} MD step = 10400 step time: 00:00:00.331571 Performance: 41.458 ns/day 0.579 hours/ns 2.399 steps/s 2024-05-16 20:09:42,526 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 10400 2080 59.488 -31969 6520 -38489 -38489 -0.38511 -0.54414 -0.021182 18300 2024-05-16 20:10:17,109 INFO [main.py:798]
{rank 0/64} MD step = 10500 step time: 00:00:00.328973 Performance: 41.467 ns/day 0.579 hours/ns 2.400 steps/s 2024-05-16 20:10:23,344 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 60.638 -32074 6646 -38720 -38720 -0.39012 -0.54876 -0.022477 18398 2024-05-16 20:10:58,288 INFO [main.py:798]
{rank 0/64} MD step = 10600 step time: 00:00:00.331651 Performance: 41.471 ns/day 0.579 hours/ns 2.400 steps/s 2024-05-16 20:11:06,642 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 60.31 -31996 6610.1 -38606 -38606 -0.39355 -0.55319 -0.021639 18611 2024-05-16 20:11:41,570 INFO [main.py:798]
{rank 0/64} MD step = 10700 step time: 00:00:00.338405 Performance: 41.456 ns/day 0.579 hours/ns 2.399 steps/s 2024-05-16 20:11:49,536 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 60.003 -32007 6576.4 -38583 -38583 -0.39821 -0.55789 -0.021373 18796 2024-05-16 20:12:24,285 INFO [main.py:798]
{rank 0/64} MD step = 10800 step time: 00:00:00.346531 Performance: 41.447 ns/day 0.579 hours/ns 2.399 steps/s 2024-05-16 20:12:31,770 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 59.583 -31987 6530.3 -38518 -38518 -0.40284 -0.56377 -0.021506 18960 2024-05-16 20:13:07,030 INFO [main.py:798]
{rank 0/64} MD step = 10900 step time: 00:00:00.362462 Performance: 41.437 ns/day 0.579 hours/ns 2.398 steps/s 2024-05-16 20:13:13,473 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 10900 2180 60.033 -31885 6579.7 -38465 -38465 -0.4069 -0.56847 -0.021754 19138 2024-05-16 20:13:49,136 INFO [main.py:798]
{rank 0/64} MD step = 11000 step time: 00:00:00.360994 Performance: 41.434 ns/day 0.579 hours/ns 2.398 steps/s 2024-05-16 20:13:54,580 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 59.863 -32029 6561 -38590 -38590 -0.41151 -0.57387 -0.022306 19259 2024-05-16 20:14:30,667 INFO [main.py:798]
{rank 0/64} MD step = 11100 step time: 00:00:00.342475 Performance: 41.435 ns/day 0.579 hours/ns 2.398 steps/s 2024-05-16 20:14:35,390 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 11100 2220 60.369 -31929 6616.5 -38546 -38546 -0.4145 -0.57854 -0.02282 19459 2024-05-16 20:15:11,230 INFO [main.py:798]
{rank 0/64} MD step = 11200 step time: 00:00:00.353591 Performance: 41.445 ns/day 0.579 hours/ns 2.398 steps/s 2024-05-16 20:15:16,507 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 60.073 -31881 6584.1 -38465 -38465 -0.4176 -0.58342 -0.022801 19649 2024-05-16 20:15:51,341 INFO [main.py:798]
{rank 0/64} MD step = 11300 step time: 00:00:00.355000 Performance: 41.459 ns/day 0.579 hours/ns 2.399 steps/s 2024-05-16 20:15:57,072 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 11300 2260 60.312 -31938 6610.2 -38549 -38549 -0.42101 -0.58902 -0.021944 19809 2024-05-16 20:16:31,702 INFO [main.py:798]
{rank 0/64} MD step = 11400 step time: 00:00:00.346860 Performance: 41.471 ns/day 0.579 hours/ns 2.400 steps/s 2024-05-16 20:16:37,868 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 60.494 -31882 6630.2 -38512 -38512 -0.42534 -0.59409 -0.021377 20002 2024-05-16 20:17:12,625 INFO [main.py:798]
{rank 0/64} MD step = 11500 step time: 00:00:00.370200 Performance: 41.477 ns/day 0.579 hours/ns 2.400 steps/s 2024-05-16 20:17:22,056 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 61.516 -31699 6742.2 -38441 -38441 -0.42895 -0.59965 -0.021049 20192 2024-05-16 20:17:58,468 INFO [main.py:798]
{rank 0/64} MD step = 11600 step time: 00:00:00.374591 Performance: 41.441 ns/day 0.579 hours/ns 2.398 steps/s 2024-05-16 20:18:15,265 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 11600 2320 59.121 -31869 6479.7 -38349 -38349 -0.4321 -0.60483 -0.019258 20396 2024-05-16 20:18:51,561 INFO [main.py:798]
{rank 0/64} MD step = 11700 step time: 00:00:00.380435 Performance: 41.345 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 20:18:58,578 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 59.937 -31984 6569.1 -38553 -38553 -0.43662 -0.61101 -0.018872 20519 2024-05-16 20:19:32,615 INFO [main.py:798]
{rank 0/64} MD step = 11800 step time: 00:00:00.344560 Performance: 41.351 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 20:19:37,973 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 11800 2360 59.132 -31966 6480.9 -38447 -38447 -0.43958 -0.61601 -0.019087 20711 2024-05-16 20:20:12,389 INFO [main.py:798]
{rank 0/64} MD step = 11900 step time: 00:00:00.346667 Performance: 41.368 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-16 20:20:18,193 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 60.162 -31873 6593.8 -38467 -38467 -0.4412 -0.62253 -0.019601 20912 2024-05-16 20:20:54,275 INFO [main.py:798]
{rank 0/64} MD step = 12000 step time: 00:00:00.373750 Performance: 41.367 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-16 20:21:00,818 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12000 2400 59.763 -31972 6550.1 -38522 -38522 -0.4457 -0.62737 -0.019734 21099 2024-05-16 20:21:36,965 INFO [main.py:798]
{rank 0/64} MD step = 12100 step time: 00:00:00.378052 Performance: 41.359 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 20:21:42,428 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 61.164 -31711 6703.6 -38414 -38414 -0.44759 -0.6333 -0.020354 21271 2024-05-16 20:22:16,977 INFO [main.py:798]
{rank 0/64} MD step = 12200 step time: 00:00:00.364863 Performance: 41.374 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-16 20:22:21,704 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12200 2440 59.734 -31903 6546.9 -38450 -38450 -0.4506 -0.63935 -0.020677 21436 2024-05-16 20:22:55,968 INFO [main.py:798]
{rank 0/64} MD step = 12300 step time: 00:00:00.344875 Performance: 41.396 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-16 20:23:02,169 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12300 2460 59.367 -32035 6506.7 -38542 -38542 -0.45552 -0.64575 -0.020177 21624 2024-05-16 20:23:37,363 INFO [main.py:798]
{rank 0/64} MD step = 12400 step time: 00:00:00.341569 Performance: 41.399 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-16 20:23:45,002 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12400 2480 59.909 -31761 6566.1 -38327 -38327 -0.45933 -0.64885 -0.020534 21814 2024-05-16 20:24:20,317 INFO [main.py:798]
{rank 0/64} MD step = 12500 step time: 00:00:00.372480 Performance: 41.389 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-16 20:24:35,495 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12500 2500 58.764 -31833 6440.6 -38274 -38274 -0.46153 -0.65297 -0.022401 21993 2024-05-16 20:25:09,696 INFO [main.py:798]
{rank 0/64} MD step = 12600 step time: 00:00:00.348309 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 20:25:18,458 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12600 2520 59.576 -31764 6529.7 -38294 -38294 -0.46561 -0.65672 -0.021392 22163 2024-05-16 20:25:52,777 INFO [main.py:798]
{rank 0/64} MD step = 12700 step time: 00:00:00.370376 Performance: 41.319 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-16 20:25:59,985 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12700 2540 60.42 -31797 6622.1 -38419 -38419 -0.46896 -0.66116 -0.021668 22332 2024-05-16 20:26:34,620 INFO [main.py:798]
{rank 0/64} MD step = 12800 step time: 00:00:00.339378 Performance: 41.319 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-16 20:26:46,446 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12800 2560 59.569 -32018 6528.8 -38547 -38547 -0.47153 -0.66515 -0.023687 22487 2024-05-16 20:27:20,844 INFO [main.py:798]
{rank 0/64} MD step = 12900 step time: 00:00:00.348560 Performance: 41.285 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-16 20:27:26,868 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 60.095 -31864 6586.5 -38450 -38450 -0.47384 -0.66963 -0.024163 22662 2024-05-16 20:28:02,883 INFO [main.py:798]
{rank 0/64} MD step = 13000 step time: 00:00:00.372038 Performance: 41.284 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-16 20:28:08,216 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 13000 2600 60.191 -31773 6597 -38370 -38370 -0.47789 -0.67501 -0.022877 22851 2024-05-16 20:28:44,390 INFO [main.py:798]
{rank 0/64} MD step = 13100 step time: 00:00:00.371729 Performance: 41.287 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-16 20:28:52,638 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 13100 2620 59.093 -32017 6476.6 -38494 -38494 -0.482 -0.67963 -0.02383 22979 2024-05-16 20:29:29,085 INFO [main.py:798]
{rank 0/64} MD step = 13200 step time: 00:00:00.351379 Performance: 41.265 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-16 20:29:34,248 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 60.691 -31877 6651.8 -38529 -38529 -0.48554 -0.68584 -0.025773 23159 2024-05-16 20:30:09,069 INFO [main.py:798]
{rank 0/64} MD step = 13300 step time: 00:00:00.360052 Performance: 41.279 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-16 20:30:14,273 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 59.452 -31906 6516 -38422 -38422 -0.48961 -0.69112 -0.025954 23315 2024-05-16 20:30:50,667 INFO [main.py:798]
{rank 0/64} MD step = 13400 step time: 00:00:00.366883 Performance: 41.281 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-16 20:30:56,015 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 13400 2680 60.283 -31859 6607.1 -38466 -38466 -0.4946 -0.69552 -0.026744 23502 2024-05-16 20:31:30,762 INFO [main.py:798]
{rank 0/64} MD step = 13500 step time: 00:00:00.351962 Performance: 41.294 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-16 20:31:37,695 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 60.403 -31856 6620.2 -38476 -38476 -0.49728 -0.69955 -0.026287 23645 2024-05-16 20:32:12,503 INFO [main.py:798]
{rank 0/64} MD step = 13600 step time: 00:00:00.350406 Performance: 41.295 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-16 20:32:18,051 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 60.885 -31744 6673 -38417 -38417 -0.50113 -0.70402 -0.027087 23813 2024-05-16 20:32:53,394 INFO [main.py:798]
{rank 0/64} MD step = 13700 step time: 00:00:00.353012 Performance: 41.302 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-16 20:32:59,189 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 59.561 -32009 6528 -38537 -38537 -0.5039 -0.71029 -0.026792 23987 2024-05-16 20:33:36,319 INFO [main.py:798]
{rank 0/64} MD step = 13800 step time: 00:00:00.348917 Performance: 41.294 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-16 20:33:47,230 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 58.678 -31955 6431.1 -38386 -38386 -0.50742 -0.71683 -0.02723 24211 2024-05-16 20:34:23,213 INFO [main.py:798]
{rank 0/64} MD step = 13900 step time: 00:00:00.347688 Performance: 41.258 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-16 20:34:31,200 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 13900 2780 59.043 -32001 6471.1 -38473 -38473 -0.51429 -0.7211 -0.02764 24374 2024-05-16 20:35:06,490 INFO [main.py:798]
{rank 0/64} MD step = 14000 step time: 00:00:00.335532 Performance: 41.249 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-16 20:35:14,837 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 14000 2800 60.018 -31934 6578.1 -38512 -38512 -0.51833 -0.72644 -0.027316 24516 2024-05-16 20:35:50,129 INFO [main.py:798]
{rank 0/64} MD step = 14100 step time: 00:00:00.329913 Performance: 41.236 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-16 20:35:54,708 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 14100 2820 59.937 -31916 6569.1 -38485 -38485 -0.52193 -0.73044 -0.028383 24719 2024-05-16 20:36:30,602 INFO [main.py:798]
{rank 0/64} MD step = 14200 step time: 00:00:00.329063 Performance: 41.246 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-16 20:36:35,987 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 14200 2840 60.389 -31801 6618.7 -38419 -38419 -0.5256 -0.7355 -0.029125 24882 2024-05-16 20:37:11,829 INFO [main.py:798]
{rank 0/64} MD step = 14300 step time: 00:00:00.329725 Performance: 41.251 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-16 20:37:19,523 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 59.125 -32006 6480.2 -38486 -38486 -0.52997 -0.74138 -0.030216 25050 2024-05-16 20:37:55,373 INFO [main.py:798]
{rank 0/64} MD step = 14400 step time: 00:00:00.351178 Performance: 41.240 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-16 20:38:00,516 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 14400 2880 59.011 -32059 6467.7 -38527 -38527 -0.53367 -0.74713 -0.030078 25200 2024-05-16 20:38:35,707 INFO [main.py:798]
{rank 0/64} MD step = 14500 step time: 00:00:00.354916 Performance: 41.250 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-16 20:38:49,851 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 59.692 -32019 6542.3 -38561 -38561 -0.5371 -0.75148 -0.030564 25344 2024-05-16 20:39:26,603 INFO [main.py:798]
{rank 0/64} MD step = 14600 step time: 00:00:00.354742 Performance: 41.190 ns/day 0.583 hours/ns 2.384 steps/s 2024-05-16 20:39:31,216 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 14600 2920 60.072 -31813 6583.9 -38397 -38397 -0.54104 -0.75835 -0.032373 25551 2024-05-16 20:40:09,324 INFO [main.py:798]
{rank 0/64} MD step = 14700 step time: 00:00:00.387259 Performance: 41.184 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-16 20:40:15,891 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 14700 2940 59.987 -31832 6574.7 -38406 -38406 -0.54411 -0.7641 -0.033716 25712 2024-05-16 20:40:51,935 INFO [main.py:798]
{rank 0/64} MD step = 14800 step time: 00:00:00.333055 Performance: 41.180 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-16 20:40:56,667 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 14800 2960 60.158 -31839 6593.4 -38433 -38433 -0.5465 -0.76926 -0.034126 25897 2024-05-16 20:41:32,269 INFO [main.py:798]
{rank 0/64} MD step = 14900 step time: 00:00:00.331354 Performance: 41.191 ns/day 0.583 hours/ns 2.384 steps/s 2024-05-16 20:41:38,126 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 14900 2980 60.961 -31917 6681.4 -38598 -38598 -0.54923 -0.77385 -0.034183 26015 2024-05-16 20:42:12,445 INFO [main.py:798]
{rank 0/64} MD step = 15000 step time: 00:00:00.329613 Performance: 41.202 ns/day 0.582 hours/ns 2.384 steps/s 2024-05-16 20:42:17,966 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 15000 3000 60.314 -31813 6610.5 -38423 -38423 -0.55186 -0.77917 -0.034638 26183 2024-05-16 20:42:54,488 INFO [main.py:798]
{rank 0/64} MD step = 15100 step time: 00:00:00.332468 Performance: 41.202 ns/day 0.582 hours/ns 2.384 steps/s 2024-05-16 20:42:59,965 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 15100 3020 59.812 -31836 6555.5 -38391 -38391 -0.55651 -0.78385 -0.035431 26393 2024-05-16 20:43:34,856 INFO [main.py:798]
{rank 0/64} MD step = 15200 step time: 00:00:00.344513 Performance: 41.212 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-16 20:43:42,671 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 15200 3040 60.243 -31834 6602.7 -38437 -38437 -0.55847 -0.7901 -0.036688 26539 2024-05-16 20:44:18,236 INFO [main.py:798]
{rank 0/64} MD step = 15300 step time: 00:00:00.327703 Performance: 41.203 ns/day 0.582 hours/ns 2.384 steps/s 2024-05-16 20:44:25,901 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 60.219 -31810 6600.1 -38410 -38410 -0.56108 -0.79568 -0.036631 26739 2024-05-16 20:45:00,909 INFO [main.py:798]
{rank 0/64} MD step = 15400 step time: 00:00:00.333713 Performance: 41.198 ns/day 0.583 hours/ns 2.384 steps/s 2024-05-16 20:45:08,805 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 15400 3080 60.045 -31842 6581 -38423 -38423 -0.56453 -0.80077 -0.037202 26890 2024-05-16 20:45:42,887 INFO [main.py:798]
{rank 0/64} MD step = 15500 step time: 00:00:00.350089 Performance: 41.198 ns/day 0.583 hours/ns 2.384 steps/s 2024-05-16 20:45:48,863 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 58.673 -31950 6430.6 -38381 -38381 -0.56795 -0.8065 -0.035478 27107 2024-05-16 20:46:24,867 INFO [main.py:798]
{rank 0/64} MD step = 15600 step time: 00:00:00.341667 Performance: 41.198 ns/day 0.583 hours/ns 2.384 steps/s 2024-05-16 20:46:30,083 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 60.566 -31818 6638.1 -38456 -38456 -0.57165 -0.81152 -0.035431 27279 2024-05-16 20:47:05,764 INFO [main.py:798]
{rank 0/64} MD step = 15700 step time: 00:00:00.359332 Performance: 41.204 ns/day 0.582 hours/ns 2.384 steps/s 2024-05-16 20:47:11,758 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 59.416 -31907 6512.1 -38419 -38419 -0.57485 -0.81845 -0.036021 27466 2024-05-16 20:47:46,105 INFO [main.py:798]
{rank 0/64} MD step = 15800 step time: 00:00:00.334195 Performance: 41.214 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-16 20:47:52,993 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 15800 3160 59.194 -32031 6487.8 -38519 -38519 -0.57965 -0.82328 -0.037316 27629 2024-05-16 20:48:27,678 INFO [main.py:798]
{rank 0/64} MD step = 15900 step time: 00:00:00.327070 Performance: 41.216 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-16 20:48:33,221 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 15900 3180 59.838 -31901 6558.4 -38459 -38459 -0.58308 -0.82819 -0.03785 27822 2024-05-16 20:49:08,386 INFO [main.py:798]
{rank 0/64} MD step = 16000 step time: 00:00:00.335804 Performance: 41.224 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-16 20:49:20,428 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16000 3200 59.51 -31992 6522.3 -38514 -38514 -0.58784 -0.83329 -0.039012 27975 2024-05-16 20:49:54,896 INFO [main.py:798]
{rank 0/64} MD step = 16100 step time: 00:00:00.347441 Performance: 41.196 ns/day 0.583 hours/ns 2.384 steps/s 2024-05-16 20:49:59,894 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16100 3220 60.476 -31902 6628.2 -38530 -38530 -0.59148 -0.83763 -0.04014 28145 2024-05-16 20:50:37,041 INFO [main.py:798]
{rank 0/64} MD step = 16200 step time: 00:00:00.334119 Performance: 41.194 ns/day 0.583 hours/ns 2.384 steps/s 2024-05-16 20:50:42,163 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 59.806 -31821 6554.8 -38376 -38376 -0.59424 -0.84294 -0.039421 28338 2024-05-16 20:51:16,515 INFO [main.py:798]
{rank 0/64} MD step = 16300 step time: 00:00:00.337266 Performance: 41.209 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-16 20:51:26,859 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16300 3260 61.271 -31739 6715.4 -38454 -38454 -0.59907 -0.84915 -0.039907 28530 2024-05-16 20:52:01,192 INFO [main.py:798]
{rank 0/64} MD step = 16400 step time: 00:00:00.352732 Performance: 41.193 ns/day 0.583 hours/ns 2.384 steps/s 2024-05-16 20:52:07,500 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16400 3280 59.198 -32007 6488.1 -38495 -38495 -0.60261 -0.85491 -0.039969 28699 2024-05-16 20:52:42,408 INFO [main.py:798]
{rank 0/64} MD step = 16500 step time: 00:00:00.378217 Performance: 41.197 ns/day 0.583 hours/ns 2.384 steps/s 2024-05-16 20:52:48,119 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16500 3300 60.925 -31805 6677.4 -38483 -38483 -0.60511 -0.86129 -0.040631 28856 2024-05-16 20:53:22,576 INFO [main.py:798]
{rank 0/64} MD step = 16600 step time: 00:00:00.352971 Performance: 41.208 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-16 20:53:27,827 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16600 3320 60.719 -31827 6654.9 -38481 -38481 -0.61019 -0.86612 -0.04154 29043 2024-05-16 20:54:02,545 INFO [main.py:798]
{rank 0/64} MD step = 16700 step time: 00:00:00.357074 Performance: 41.219 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-16 20:54:08,716 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16700 3340 59.754 -31859 6549.1 -38408 -38408 -0.61342 -0.87195 -0.042307 29216 2024-05-16 20:54:43,648 INFO [main.py:798]
{rank 0/64} MD step = 16800 step time: 00:00:00.354862 Performance: 41.224 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-16 20:54:54,290 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 59.638 -31879 6536.4 -38416 -38416 -0.61782 -0.87695 -0.042936 29384 2024-05-16 20:55:29,151 INFO [main.py:798]
{rank 0/64} MD step = 16900 step time: 00:00:00.360849 Performance: 41.203 ns/day 0.582 hours/ns 2.384 steps/s 2024-05-16 20:55:36,638 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16900 3380 59.972 -31986 6573.1 -38559 -38559 -0.62255 -0.88187 -0.042079 29566 2024-05-16 20:56:11,424 INFO [main.py:798]
{rank 0/64} MD step = 17000 step time: 00:00:00.348456 Performance: 41.201 ns/day 0.583 hours/ns 2.384 steps/s 2024-05-16 20:56:16,721 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 59.652 -31958 6537.9 -38495 -38495 -0.62584 -0.88766 -0.041793 29744 2024-05-16 20:56:50,943 INFO [main.py:798]
{rank 0/64} MD step = 17100 step time: 00:00:00.343383 Performance: 41.215 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-16 20:56:57,077 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17100 3420 59.606 -31971 6532.9 -38504 -38504 -0.62893 -0.89175 -0.042974 29930 2024-05-16 20:57:31,745 INFO [main.py:798]
{rank 0/64} MD step = 17200 step time: 00:00:00.341100 Performance: 41.222 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-16 20:57:37,637 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17200 3440 60.727 -31865 6655.8 -38520 -38520 -0.63229 -0.89731 -0.042755 30093 2024-05-16 20:58:11,957 INFO [main.py:798]
{rank 0/64} MD step = 17300 step time: 00:00:00.349874 Performance: 41.231 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-16 20:58:16,961 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17300 3460 59.562 -31954 6528.1 -38482 -38482 -0.63411 -0.90222 -0.04346 30280 2024-05-16 20:58:51,521 INFO [main.py:798]
{rank 0/64} MD step = 17400 step time: 00:00:00.350455 Performance: 41.245 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-16 20:58:56,628 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 59.579 -31906 6529.9 -38436 -38436 -0.6372 -0.90731 -0.043707 30450 2024-05-16 20:59:31,067 INFO [main.py:798]
{rank 0/64} MD step = 17500 step time: 00:00:00.354518 Performance: 41.258 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-16 20:59:37,119 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 59.944 -32001 6570 -38571 -38571 -0.64075 -0.9134 -0.044193 30603 2024-05-16 21:00:12,652 INFO [main.py:798]
{rank 0/64} MD step = 17600 step time: 00:00:00.359148 Performance: 41.260 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-16 21:00:17,373 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17600 3520 60.259 -31920 6604.5 -38525 -38525 -0.64478 -0.91781 -0.04425 30788 2024-05-16 21:00:55,099 INFO [main.py:798]
{rank 0/64} MD step = 17700 step time: 00:00:00.333798 Performance: 41.256 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-16 21:01:01,528 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 59.642 -31933 6536.8 -38470 -38470 -0.64842 -0.9236 -0.044212 30976 2024-05-16 21:01:36,473 INFO [main.py:798]
{rank 0/64} MD step = 17800 step time: 00:00:00.336669 Performance: 41.259 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-16 21:01:45,263 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17800 3560 60.021 -31981 6578.4 -38559 -38559 -0.652 -0.92832 -0.044212 31163 2024-05-16 21:02:19,907 INFO [main.py:798]
{rank 0/64} MD step = 17900 step time: 00:00:00.355507 Performance: 41.251 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-16 21:02:27,023 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17900 3580 59.814 -31853 6555.7 -38408 -38408 -0.65556 -0.93472 -0.046298 31361 2024-05-16 21:03:01,866 INFO [main.py:798]
{rank 0/64} MD step = 18000 step time: 00:00:00.422616 Performance: 41.250 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-16 21:03:07,785 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 18000 3600 59.476 -31961 6518.7 -38480 -38480 -0.65931 -0.94013 -0.045717 31480 2024-05-16 21:03:42,595 INFO [main.py:798]
{rank 0/64} MD step = 18100 step time: 00:00:00.347654 Performance: 41.257 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-16 21:03:47,559 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 18100 3620 59.724 -31874 6545.8 -38419 -38419 -0.66273 -0.94702 -0.046745 31686 2024-05-16 21:04:22,511 INFO [main.py:798]
{rank 0/64} MD step = 18200 step time: 00:00:00.344849 Performance: 41.267 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-16 21:04:28,488 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 18200 3640 59.511 -31873 6522.5 -38396 -38396 -0.66629 -0.9511 -0.048346 31867 2024-05-16 21:05:03,049 INFO [main.py:798]
{rank 0/64} MD step = 18300 step time: 00:00:00.354037 Performance: 41.274 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-16 21:05:08,715 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 18300 3660 60.339 -31821 6613.3 -38434 -38434 -0.66952 -0.95676 -0.049155 32042 2024-05-16 21:05:43,341 INFO [main.py:798]
{rank 0/64} MD step = 18400 step time: 00:00:00.353173 Performance: 41.283 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-16 21:05:49,422 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 60.29 -31864 6607.8 -38472 -38472 -0.6735 -0.96085 -0.049622 32234 2024-05-16 21:06:24,620 INFO [main.py:798]
{rank 0/64} MD step = 18500 step time: 00:00:00.363975 Performance: 41.286 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-16 21:06:29,756 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 60.015 -31900 6577.7 -38478 -38478 -0.67691 -0.96514 -0.050546 32414 2024-05-16 21:07:04,108 INFO [main.py:798]
{rank 0/64} MD step = 18600 step time: 00:00:00.350158 Performance: 41.299 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-16 21:07:08,119 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 59.775 -31839 6551.4 -38391 -38391 -0.6799 -0.9708 -0.05147 32558 2024-05-16 21:07:44,143 INFO [main.py:798]
{rank 0/64} MD step = 18700 step time: 00:00:00.360487 Performance: 41.308 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-16 21:07:50,349 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 61.17 -31727 6704.3 -38431 -38431 -0.68319 -0.97693 -0.052751 32748 2024-05-16 21:08:25,178 INFO [main.py:798]
{rank 0/64} MD step = 18800 step time: 00:00:00.369805 Performance: 41.312 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-16 21:08:31,654 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 59.736 -31926 6547.1 -38473 -38473 -0.68598 -0.98261 -0.052517 32950 2024-05-16 21:09:06,440 INFO [main.py:798]
{rank 0/64} MD step = 18900 step time: 00:00:00.347411 Performance: 41.315 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-16 21:09:12,586 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 60.489 -31680 6629.6 -38310 -38310 -0.68867 -0.98922 -0.053794 33135 2024-05-16 21:09:48,215 INFO [main.py:798]
{rank 0/64} MD step = 19000 step time: 00:00:00.351741 Performance: 41.315 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-16 21:09:52,519 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 60.351 -31779 6614.5 -38394 -38394 -0.69352 -0.99372 -0.052422 33295 2024-05-16 21:10:29,619 INFO [main.py:798]
{rank 0/64} MD step = 19100 step time: 00:00:00.371712 Performance: 41.318 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-16 21:10:35,732 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 59.822 -31795 6556.6 -38352 -38352 -0.69756 -0.99842 -0.052146 33485 2024-05-16 21:11:10,272 INFO [main.py:798]
{rank 0/64} MD step = 19200 step time: 00:00:00.349790 Performance: 41.324 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-16 21:11:15,629 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19200 3840 59.9 -31800 6565.1 -38365 -38365 -0.70233 -1.0056 -0.052322 33700 2024-05-16 21:11:49,854 INFO [main.py:798]
{rank 0/64} MD step = 19300 step time: 00:00:00.339765 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 21:11:55,930 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19300 3860 60.825 -31726 6666.5 -38392 -38392 -0.70661 -1.0112 -0.052232 33854 2024-05-16 21:12:30,719 INFO [main.py:798]
{rank 0/64} MD step = 19400 step time: 00:00:00.356903 Performance: 41.340 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 21:12:37,768 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19400 3880 60.153 -31789 6592.9 -38382 -38382 -0.71162 -1.0168 -0.053032 33996 2024-05-16 21:13:11,735 INFO [main.py:798]
{rank 0/64} MD step = 19500 step time: 00:00:00.355781 Performance: 41.344 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 21:13:16,515 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19500 3900 60.345 -31821 6613.9 -38435 -38435 -0.71652 -1.021 -0.053051 34187 2024-05-16 21:13:50,721 INFO [main.py:798]
{rank 0/64} MD step = 19600 step time: 00:00:00.347570 Performance: 41.358 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 21:13:57,028 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19600 3920 60.381 -31855 6617.9 -38473 -38473 -0.71871 -1.0251 -0.053527 34327 2024-05-16 21:14:32,610 INFO [main.py:798]
{rank 0/64} MD step = 19700 step time: 00:00:00.368171 Performance: 41.358 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 21:14:37,973 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19700 3940 60.138 -31809 6591.2 -38401 -38401 -0.72355 -1.0297 -0.052527 34516 2024-05-16 21:15:12,642 INFO [main.py:798]
{rank 0/64} MD step = 19800 step time: 00:00:00.346937 Performance: 41.366 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-16 21:15:18,627 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 59.407 -31925 6511.1 -38436 -38436 -0.72776 -1.0346 -0.052346 34682 2024-05-16 21:15:53,367 INFO [main.py:798]
{rank 0/64} MD step = 19900 step time: 00:00:00.349753 Performance: 41.371 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-16 21:15:58,656 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19900 3980 59.792 -31944 6553.3 -38498 -38498 -0.73221 -1.0406 -0.052174 34851 2024-05-16 21:16:33,594 INFO [main.py:798]
{rank 0/64} MD step = 20000 step time: 00:00:00.349628 Performance: 41.379 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-16 21:16:37,839 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 59.715 -31882 6544.9 -38427 -38427 -0.73507 -1.045 -0.052251 35040 2024-05-16 21:17:12,579 INFO [main.py:798]
{rank 0/64} MD step = 20100 step time: 00:00:00.338798 Performance: 41.393 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-16 21:17:17,977 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 20100 4020 60.167 -31919 6594.3 -38513 -38513 -0.73852 -1.0492 -0.052917 35229 2024-05-16 21:17:52,445 INFO [main.py:798]
{rank 0/64} MD step = 20200 step time: 00:00:00.350530 Performance: 41.402 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-16 21:17:57,858 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 59.95 -31823 6570.5 -38394 -38394 -0.7429 -1.0542 -0.05427 35406 2024-05-16 21:18:32,122 INFO [main.py:798]
{rank 0/64} MD step = 20300 step time: 00:00:00.337931 Performance: 41.412 ns/day 0.580 hours/ns 2.397 steps/s 2024-05-16 21:18:39,760 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 59.849 -31834 6559.5 -38393 -38393 -0.74694 -1.0578 -0.055203 35592 2024-05-16 21:19:14,187 INFO [main.py:798]
{rank 0/64} MD step = 20400 step time: 00:00:00.349736 Performance: 41.410 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-16 21:19:22,385 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 20400 4080 60.415 -31736 6621.6 -38357 -38357 -0.75098 -1.0632 -0.054441 35787 2024-05-16 21:19:56,698 INFO [main.py:798]
{rank 0/64} MD step = 20500 step time: 00:00:00.363054 Performance: 41.407 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-16 21:20:05,512 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 20500 4100 60.231 -31719 6601.4 -38320 -38320 -0.75559 -1.0682 -0.055265 35954 2024-05-16 21:20:40,151 INFO [main.py:798]
{rank 0/64} MD step = 20600 step time: 00:00:00.355951 Performance: 41.398 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-16 21:20:47,112 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 20600 4120 60.647 -31852 6647 -38499 -38499 -0.75764 -1.0734 -0.055889 36087 2024-05-16 21:21:21,615 INFO [main.py:798]
{rank 0/64} MD step = 20700 step time: 00:00:00.358170 Performance: 41.400 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-16 21:21:26,624 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 20700 4140 59.864 -31962 6561.1 -38523 -38523 -0.76133 -1.079 -0.056851 36266 2024-05-16 21:22:01,763 INFO [main.py:798]
{rank 0/64} MD step = 20800 step time: 00:00:00.377588 Performance: 41.407 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-16 21:22:07,614 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 59.875 -31823 6562.4 -38386 -38386 -0.76326 -1.0841 -0.057794 36434 2024-05-16 21:22:41,734 INFO [main.py:798]
{rank 0/64} MD step = 20900 step time: 00:00:00.346809 Performance: 41.416 ns/day 0.579 hours/ns 2.397 steps/s 2024-05-16 21:22:46,620 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 60.424 -31799 6622.5 -38421 -38421 -0.76762 -1.0881 -0.057327 36610 2024-05-16 21:23:21,638 INFO [main.py:798]
{rank 0/64} MD step = 21000 step time: 00:00:00.348103 Performance: 41.424 ns/day 0.579 hours/ns 2.397 steps/s 2024-05-16 21:23:26,655 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21000 4200 60.329 -31903 6612.1 -38515 -38515 -0.7702 -1.0932 -0.057289 36760 2024-05-16 21:24:01,153 INFO [main.py:798]
{rank 0/64} MD step = 21100 step time: 00:00:00.349162 Performance: 41.435 ns/day 0.579 hours/ns 2.398 steps/s 2024-05-16 21:24:07,212 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 59.914 -31871 6566.6 -38437 -38437 -0.77368 -1.0984 -0.057584 36950 2024-05-16 21:24:41,772 INFO [main.py:798]
{rank 0/64} MD step = 21200 step time: 00:00:00.352274 Performance: 41.440 ns/day 0.579 hours/ns 2.398 steps/s 2024-05-16 21:24:46,645 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 59.827 -31931 6557.1 -38489 -38489 -0.77656 -1.1027 -0.057556 37150 2024-05-16 21:25:22,911 INFO [main.py:798]
{rank 0/64} MD step = 21300 step time: 00:00:00.352333 Performance: 41.442 ns/day 0.579 hours/ns 2.398 steps/s 2024-05-16 21:25:28,799 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21300 4260 59.349 -31974 6504.7 -38478 -38478 -0.77982 -1.1094 -0.056689 37300 2024-05-16 21:26:03,984 INFO [main.py:798]
{rank 0/64} MD step = 21400 step time: 00:00:00.335856 Performance: 41.445 ns/day 0.579 hours/ns 2.398 steps/s 2024-05-16 21:26:10,561 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21400 4280 60.509 -31702 6631.9 -38334 -38334 -0.78389 -1.1145 -0.055679 37510 2024-05-16 21:26:45,657 INFO [main.py:798]
{rank 0/64} MD step = 21500 step time: 00:00:00.355533 Performance: 41.445 ns/day 0.579 hours/ns 2.398 steps/s 2024-05-16 21:26:51,349 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21500 4300 60.062 -31782 6582.8 -38365 -38365 -0.78805 -1.1194 -0.055317 37679 2024-05-16 21:27:26,093 INFO [main.py:798]
{rank 0/64} MD step = 21600 step time: 00:00:00.338745 Performance: 41.451 ns/day 0.579 hours/ns 2.399 steps/s 2024-05-16 21:27:30,096 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21600 4320 60.193 -31767 6597.2 -38364 -38364 -0.79269 -1.1251 -0.054703 37852 2024-05-16 21:28:06,677 INFO [main.py:798]
{rank 0/64} MD step = 21700 step time: 00:00:00.373928 Performance: 41.456 ns/day 0.579 hours/ns 2.399 steps/s 2024-05-16 21:28:13,126 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 59.61 -31919 6533.4 -38452 -38452 -0.79622 -1.1306 -0.055441 38039 2024-05-16 21:28:48,657 INFO [main.py:798]
{rank 0/64} MD step = 21800 step time: 00:00:00.372358 Performance: 41.455 ns/day 0.579 hours/ns 2.399 steps/s 2024-05-16 21:28:55,265 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21800 4360 59.711 -31864 6544.4 -38408 -38408 -0.80061 -1.136 -0.057451 38200 2024-05-16 21:29:29,959 INFO [main.py:798]
{rank 0/64} MD step = 21900 step time: 00:00:00.361711 Performance: 41.457 ns/day 0.579 hours/ns 2.399 steps/s 2024-05-16 21:29:35,468 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21900 4380 59.733 -31939 6546.9 -38486 -38486 -0.80433 -1.1393 -0.057908 38365 2024-05-16 21:30:10,885 INFO [main.py:798]
{rank 0/64} MD step = 22000 step time: 00:00:00.335923 Performance: 41.460 ns/day 0.579 hours/ns 2.399 steps/s 2024-05-16 21:30:16,745 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 22000 4400 60.127 -31923 6590 -38513 -38513 -0.80587 -1.1456 -0.057984 38543 2024-05-16 21:30:50,688 INFO [main.py:798]
{rank 0/64} MD step = 22100 step time: 00:00:00.340772 Performance: 41.468 ns/day 0.579 hours/ns 2.400 steps/s 2024-05-16 21:31:01,757 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 22100 4420 60.248 -31895 6603.2 -38498 -38498 -0.80946 -1.1507 -0.058403 38721 2024-05-16 21:31:37,055 INFO [main.py:798]
{rank 0/64} MD step = 22200 step time: 00:00:00.349749 Performance: 41.447 ns/day 0.579 hours/ns 2.399 steps/s 2024-05-16 21:31:43,862 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 22200 4440 59.45 -31961 6515.8 -38477 -38477 -0.81152 -1.157 -0.059013 38927 2024-05-16 21:32:17,869 INFO [main.py:798]
{rank 0/64} MD step = 22300 step time: 00:00:00.338697 Performance: 41.451 ns/day 0.579 hours/ns 2.399 steps/s 2024-05-16 21:32:23,233 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 22300 4460 60.815 -31706 6665.4 -38371 -38371 -0.81357 -1.162 -0.059051 39091 2024-05-16 21:32:57,974 INFO [main.py:798]
{rank 0/64} MD step = 22400 step time: 00:00:00.344876 Performance: 41.458 ns/day 0.579 hours/ns 2.399 steps/s 2024-05-16 21:33:03,155 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 22400 4480 60.114 -31829 6588.6 -38418 -38418 -0.81658 -1.1669 -0.060327 39270 2024-05-16 21:33:36,802 INFO [main.py:798]
{rank 0/64} MD step = 22500 step time: 00:00:00.361747 Performance: 41.471 ns/day 0.579 hours/ns 2.400 steps/s 2024-05-16 21:33:44,069 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 60.33 -31884 6612.3 -38496 -38496 -0.81981 -1.1703 -0.060594 39432 2024-05-16 21:34:18,354 INFO [main.py:798]
{rank 0/64} MD step = 22600 step time: 00:00:00.335903 Performance: 41.471 ns/day 0.579 hours/ns 2.400 steps/s 2024-05-16 21:34:25,305 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 59.551 -32015 6526.9 -38542 -38542 -0.82447 -1.1752 -0.061146 39612 2024-05-16 21:35:04,196 INFO [main.py:798]
{rank 0/64} MD step = 22700 step time: 00:00:00.367972 Performance: 41.453 ns/day 0.579 hours/ns 2.399 steps/s 2024-05-16 21:35:12,710 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 60.326 -31875 6611.8 -38486 -38486 -0.82927 -1.1812 -0.062042 39771 2024-05-16 21:35:48,075 INFO [main.py:798]
{rank 0/64} MD step = 22800 step time: 00:00:00.378751 Performance: 41.444 ns/day 0.579 hours/ns 2.398 steps/s 2024-05-16 21:35:53,626 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 22800 4560 60.151 -31784 6592.7 -38377 -38377 -0.83349 -1.1864 -0.061089 39941 2024-05-16 21:36:28,114 INFO [main.py:798]
{rank 0/64} MD step = 22900 step time: 00:00:00.349383 Performance: 41.451 ns/day 0.579 hours/ns 2.399 steps/s 2024-05-16 21:36:34,220 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 22900 4580 60.311 -31784 6610.2 -38395 -38395 -0.83763 -1.1923 -0.062556 40112 2024-05-16 21:37:08,722 INFO [main.py:798]
{rank 0/64} MD step = 23000 step time: 00:00:00.359599 Performance: 41.455 ns/day 0.579 hours/ns 2.399 steps/s 2024-05-16 21:37:14,889 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 23000 4600 60.702 -31903 6653 -38556 -38556 -0.84102 -1.1967 -0.063642 40275 2024-05-16 21:37:49,619 INFO [main.py:798]
{rank 0/64} MD step = 23100 step time: 00:00:00.350259 Performance: 41.459 ns/day 0.579 hours/ns 2.399 steps/s 2024-05-16 21:37:57,005 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 23100 4620 59.932 -31874 6568.7 -38443 -38443 -0.84506 -1.2004 -0.063013 40443 2024-05-16 21:38:31,327 INFO [main.py:798]
{rank 0/64} MD step = 23200 step time: 00:00:00.339049 Performance: 41.459 ns/day 0.579 hours/ns 2.399 steps/s 2024-05-16 21:38:35,314 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 60.171 -31851 6594.8 -38446 -38446 -0.84768 -1.2055 -0.063699 40634 2024-05-16 21:39:10,791 INFO [main.py:798]
{rank 0/64} MD step = 23300 step time: 00:00:00.351773 Performance: 41.468 ns/day 0.579 hours/ns 2.400 steps/s 2024-05-16 21:39:15,324 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 23300 4660 60.36 -31865 6615.6 -38481 -38481 -0.85244 -1.2081 -0.064061 40803 2024-05-16 21:39:50,528 INFO [main.py:798]
{rank 0/64} MD step = 23400 step time: 00:00:00.355464 Performance: 41.476 ns/day 0.579 hours/ns 2.400 steps/s 2024-05-16 21:39:56,078 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 58.954 -31893 6461.4 -38355 -38355 -0.85611 -1.2149 -0.065089 40982 2024-05-16 21:40:30,805 INFO [main.py:798]
{rank 0/64} MD step = 23500 step time: 00:00:00.347357 Performance: 41.482 ns/day 0.579 hours/ns 2.401 steps/s 2024-05-16 21:40:36,683 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 60.405 -31997 6620.4 -38618 -38618 -0.8573 -1.2199 -0.065075 41149 2024-05-16 21:41:11,724 INFO [main.py:798]
{rank 0/64} MD step = 23600 step time: 00:00:00.356305 Performance: 41.485 ns/day 0.579 hours/ns 2.401 steps/s 2024-05-16 21:41:19,068 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 23600 4720 59.908 -31985 6566 -38551 -38551 -0.86072 -1.2263 -0.067661 41286 2024-05-16 21:41:53,202 INFO [main.py:798]
{rank 0/64} MD step = 23700 step time: 00:00:00.353668 Performance: 41.486 ns/day 0.579 hours/ns 2.401 steps/s 2024-05-16 21:41:59,433 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 60.562 -31850 6637.6 -38488 -38488 -0.8631 -1.2319 -0.06949 41499 2024-05-16 21:42:34,843 INFO [main.py:798]
{rank 0/64} MD step = 23800 step time: 00:00:00.353361 Performance: 41.486 ns/day 0.579 hours/ns 2.401 steps/s 2024-05-16 21:42:39,979 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 58.591 -32125 6421.7 -38546 -38546 -0.86492 -1.2379 -0.069642 41657 2024-05-16 21:43:15,994 INFO [main.py:798]
{rank 0/64} MD step = 23900 step time: 00:00:00.351991 Performance: 41.488 ns/day 0.578 hours/ns 2.401 steps/s 2024-05-16 21:43:23,796 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 23900 4780 60.579 -31889 6639.5 -38528 -38528 -0.86746 -1.2447 -0.069794 41796 2024-05-16 21:43:58,566 INFO [main.py:798]
{rank 0/64} MD step = 24000 step time: 00:00:00.351288 Performance: 41.484 ns/day 0.579 hours/ns 2.401 steps/s 2024-05-16 21:44:07,373 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 59.537 -31844 6525.3 -38369 -38369 -0.87167 -1.2497 -0.070242 42009 2024-05-16 21:44:43,605 INFO [main.py:798]
{rank 0/64} MD step = 24100 step time: 00:00:00.357962 Performance: 41.470 ns/day 0.579 hours/ns 2.400 steps/s 2024-05-16 21:44:50,834 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 61.068 -31692 6693.1 -38385 -38385 -0.87658 -1.2544 -0.072461 42169 2024-05-16 21:45:25,751 INFO [main.py:798]
{rank 0/64} MD step = 24200 step time: 00:00:00.359816 Performance: 41.468 ns/day 0.579 hours/ns 2.400 steps/s 2024-05-16 21:45:38,619 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 24200 4840 59.726 -31946 6546.1 -38492 -38492 -0.88033 -1.2612 -0.071242 42328 2024-05-16 21:46:15,520 INFO [main.py:798]
{rank 0/64} MD step = 24300 step time: 00:00:00.372675 Performance: 41.435 ns/day 0.579 hours/ns 2.398 steps/s 2024-05-16 21:46:22,085 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 24300 4860 59.92 -31794 6567.3 -38362 -38362 -0.88272 -1.2655 -0.069747 42506 2024-05-16 21:46:57,555 INFO [main.py:798]
{rank 0/64} MD step = 24400 step time: 00:00:00.350475 Performance: 41.434 ns/day 0.579 hours/ns 2.398 steps/s 2024-05-16 21:47:02,869 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 24400 4880 60.331 -31865 6612.3 -38478 -38478 -0.88675 -1.2709 -0.069756 42681 2024-05-16 21:47:36,915 INFO [main.py:798]
{rank 0/64} MD step = 24500 step time: 00:00:00.357893 Performance: 41.443 ns/day 0.579 hours/ns 2.398 steps/s 2024-05-16 21:47:42,705 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 24500 4900 60.047 -31775 6581.2 -38356 -38356 -0.8902 -1.2764 -0.070061 42869 2024-05-16 21:48:17,953 INFO [main.py:798]
{rank 0/64} MD step = 24600 step time: 00:00:00.346400 Performance: 41.446 ns/day 0.579 hours/ns 2.399 steps/s 2024-05-16 21:48:24,953 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 60.425 -31923 6622.6 -38546 -38546 -0.89369 -1.2796 -0.070423 43027 2024-05-16 21:48:59,649 INFO [main.py:798]
{rank 0/64} MD step = 24700 step time: 00:00:00.352205 Performance: 41.446 ns/day 0.579 hours/ns 2.399 steps/s 2024-05-16 21:49:05,163 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 60.508 -31857 6631.8 -38489 -38489 -0.89716 -1.2842 -0.070118 43200 2024-05-16 21:49:41,542 INFO [main.py:798]
{rank 0/64} MD step = 24800 step time: 00:00:00.348020 Performance: 41.445 ns/day 0.579 hours/ns 2.398 steps/s 2024-05-16 21:49:48,604 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 59.452 -31884 6516 -38400 -38400 -0.90207 -1.2904 -0.069732 43384 2024-05-16 21:50:25,391 INFO [main.py:798]
{rank 0/64} MD step = 24900 step time: 00:00:00.371480 Performance: 41.437 ns/day 0.579 hours/ns 2.398 steps/s 2024-05-16 21:50:29,412 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 24900 4980 59.922 -31912 6567.5 -38480 -38480 -0.90483 -1.2965 -0.070099 43544 2024-05-16 21:51:03,434 INFO [main.py:798]
{rank 0/64} MD step = 25000 step time: 00:00:00.344303 Performance: 41.451 ns/day 0.579 hours/ns 2.399 steps/s 2024-05-16 21:51:09,477 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25000 5000 60.682 -31806 6650.8 -38457 -38457 -0.9088 -1.302 -0.070413 43683 2024-05-16 21:51:46,599 INFO [main.py:798]
{rank 0/64} MD step = 25100 step time: 00:00:00.375901 Performance: 41.445 ns/day 0.579 hours/ns 2.398 steps/s 2024-05-16 21:51:52,991 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25100 5020 59.94 -31764 6569.5 -38334 -38334 -0.91209 -1.3082 -0.071952 43877 2024-05-16 21:52:27,837 INFO [main.py:798]
{rank 0/64} MD step = 25200 step time: 00:00:00.356508 Performance: 41.447 ns/day 0.579 hours/ns 2.399 steps/s 2024-05-16 21:52:37,004 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 60.401 -31785 6620 -38405 -38405 -0.91609 -1.3123 -0.072423 44050 2024-05-16 21:53:11,448 INFO [main.py:798]
{rank 0/64} MD step = 25300 step time: 00:00:00.342538 Performance: 41.440 ns/day 0.579 hours/ns 2.398 steps/s 2024-05-16 21:53:19,594 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25300 5060 59.375 -31785 6507.6 -38293 -38293 -0.91872 -1.3168 -0.07328 44222 2024-05-16 21:54:01,664 INFO [main.py:798]
{rank 0/64} MD step = 25400 step time: 00:00:00.352510 Performance: 41.406 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-16 21:54:14,759 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25400 5080 59.682 -32032 6541.3 -38573 -38573 -0.92129 -1.322 -0.074328 44377 2024-05-16 21:54:49,220 INFO [main.py:798]
{rank 0/64} MD step = 25500 step time: 00:00:00.333439 Performance: 41.384 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-16 21:54:54,620 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25500 5100 60.286 -32011 6607.4 -38618 -38618 -0.92469 -1.3273 -0.073833 44554 2024-05-16 21:55:29,582 INFO [main.py:798]
{rank 0/64} MD step = 25600 step time: 00:00:00.336546 Performance: 41.389 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-16 21:55:37,267 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25600 5120 59.894 -31839 6564.5 -38403 -38403 -0.93032 -1.3314 -0.074633 44753 2024-05-16 21:56:11,999 INFO [main.py:798]
{rank 0/64} MD step = 25700 step time: 00:00:00.370658 Performance: 41.387 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-16 21:56:16,870 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25700 5140 59.812 -31849 6555.5 -38404 -38404 -0.9331 -1.336 -0.074995 44931 2024-05-16 21:56:51,848 INFO [main.py:798]
{rank 0/64} MD step = 25800 step time: 00:00:00.353085 Performance: 41.394 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-16 21:56:58,274 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25800 5160 60.006 -31817 6576.7 -38393 -38393 -0.93719 -1.3408 -0.074557 45090 2024-05-16 21:57:33,048 INFO [main.py:798]
{rank 0/64} MD step = 25900 step time: 00:00:00.335862 Performance: 41.396 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-16 21:57:40,112 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 59.962 -31988 6571.9 -38560 -38560 -0.94152 -1.3456 -0.075433 45253 2024-05-16 21:58:16,022 INFO [main.py:798]
{rank 0/64} MD step = 26000 step time: 00:00:00.371424 Performance: 41.391 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-16 21:58:21,684 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 59.923 -31887 6567.6 -38455 -38455 -0.94569 -1.35 -0.074728 45428 2024-05-16 21:58:56,647 INFO [main.py:798]
{rank 0/64} MD step = 26100 step time: 00:00:00.374507 Performance: 41.396 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-16 21:59:02,820 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 59.508 -31889 6522.2 -38411 -38411 -0.94923 -1.3544 -0.07528 45588 2024-05-16 21:59:39,046 INFO [main.py:798]
{rank 0/64} MD step = 26200 step time: 00:00:00.356830 Performance: 41.393 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-16 21:59:45,770 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 59.449 -32056 6515.6 -38571 -38571 -0.95321 -1.3594 -0.076881 45741 2024-05-16 22:00:21,659 INFO [main.py:798]
{rank 0/64} MD step = 26300 step time: 00:00:00.385026 Performance: 41.390 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-16 22:00:30,666 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 26300 5260 59.548 -32025 6526.6 -38551 -38551 -0.95642 -1.3646 -0.0773 45922 2024-05-16 22:01:05,666 INFO [main.py:798]
{rank 0/64} MD step = 26400 step time: 00:00:00.330978 Performance: 41.381 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-16 22:01:13,846 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 26400 5280 60.837 -31955 6667.9 -38622 -38622 -0.95834 -1.3693 -0.077052 46092 2024-05-16 22:01:48,902 INFO [main.py:798]
{rank 0/64} MD step = 26500 step time: 00:00:00.327635 Performance: 41.376 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-16 22:01:57,158 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 26500 5300 59.836 -31767 6558.1 -38325 -38325 -0.96104 -1.3728 -0.076709 46339 2024-05-16 22:02:32,371 INFO [main.py:798]
{rank 0/64} MD step = 26600 step time: 00:00:00.348182 Performance: 41.369 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-16 22:02:38,280 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 59.822 -31887 6556.6 -38444 -38444 -0.96594 -1.3778 -0.078566 46496 2024-05-16 22:03:12,204 INFO [main.py:798]
{rank 0/64} MD step = 26700 step time: 00:00:00.354322 Performance: 41.377 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-16 22:03:17,963 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 59.346 -31942 6504.4 -38447 -38447 -0.96977 -1.3833 -0.078443 46655 2024-05-16 22:03:56,751 INFO [main.py:798]
{rank 0/64} MD step = 26800 step time: 00:00:00.359373 Performance: 41.366 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-16 22:04:01,926 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 26800 5360 60.54 -31803 6635.2 -38438 -38438 -0.97487 -1.3883 -0.077642 46794 2024-05-16 22:04:36,722 INFO [main.py:798]
{rank 0/64} MD step = 26900 step time: 00:00:00.368241 Performance: 41.373 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-16 22:04:41,820 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 26900 5380 59.553 -31931 6527.1 -38458 -38458 -0.97876 -1.3938 -0.07729 46980 2024-05-16 22:05:16,480 INFO [main.py:798]
{rank 0/64} MD step = 27000 step time: 00:00:00.336257 Performance: 41.380 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-16 22:05:22,146 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27000 5400 59.277 -31858 6496.8 -38354 -38354 -0.98364 -1.3992 -0.077166 47163 2024-05-16 22:05:57,740 INFO [main.py:798]
{rank 0/64} MD step = 27100 step time: 00:00:00.344989 Performance: 41.382 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-16 22:06:02,953 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 60.271 -31822 6605.8 -38428 -38428 -0.98788 -1.4041 -0.076495 47326 2024-05-16 22:06:37,969 INFO [main.py:798]
{rank 0/64} MD step = 27200 step time: 00:00:00.361789 Performance: 41.388 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-16 22:06:44,831 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27200 5440 60.281 -31841 6606.8 -38448 -38448 -0.99194 -1.4088 -0.077757 47510 2024-05-16 22:07:20,386 INFO [main.py:798]
{rank 0/64} MD step = 27300 step time: 00:00:00.362269 Performance: 41.385 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-16 22:07:29,710 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27300 5460 60.118 -31979 6589 -38568 -38568 -0.99592 -1.4138 -0.078366 47687 2024-05-16 22:08:04,717 INFO [main.py:798]
{rank 0/64} MD step = 27400 step time: 00:00:00.356274 Performance: 41.376 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-16 22:08:12,906 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 59.667 -31921 6539.6 -38461 -38461 -0.99988 -1.4192 -0.079209 47870 2024-05-16 22:08:47,890 INFO [main.py:798]
{rank 0/64} MD step = 27500 step time: 00:00:00.346716 Performance: 41.371 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-16 22:08:54,881 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27500 5500 60.321 -31919 6611.2 -38531 -38531 -1.004 -1.4244 -0.079852 48049 2024-05-16 22:09:29,596 INFO [main.py:798]
{rank 0/64} MD step = 27600 step time: 00:00:00.368407 Performance: 41.371 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-16 22:09:36,222 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 59.966 -31826 6572.4 -38399 -38399 -1.0067 -1.4299 -0.079547 48219 2024-05-16 22:10:11,385 INFO [main.py:798]
{rank 0/64} MD step = 27700 step time: 00:00:00.354830 Performance: 41.371 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-16 22:10:17,825 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27700 5540 60.49 -31814 6629.8 -38444 -38444 -1.0114 -1.4362 -0.078385 48412 2024-05-16 22:10:52,618 INFO [main.py:798]
{rank 0/64} MD step = 27800 step time: 00:00:00.343168 Performance: 41.373 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-16 22:10:58,558 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27800 5560 60.412 -31758 6621.3 -38379 -38379 -1.0146 -1.442 -0.079395 48587 2024-05-16 22:11:32,648 INFO [main.py:798]
{rank 0/64} MD step = 27900 step time: 00:00:00.341498 Performance: 41.379 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-16 22:11:41,399 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27900 5580 59.749 -31788 6548.5 -38336 -38336 -1.0191 -1.4473 -0.081119 48766 2024-05-16 22:12:15,962 INFO [main.py:798]
{rank 0/64} MD step = 28000 step time: 00:00:00.358188 Performance: 41.374 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-16 22:12:22,407 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 60.139 -31899 6591.3 -38490 -38490 -1.0247 -1.4517 -0.081205 48921 2024-05-16 22:12:56,933 INFO [main.py:798]
{rank 0/64} MD step = 28100 step time: 00:00:00.343182 Performance: 41.376 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-16 22:13:01,868 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 28100 5620 59.375 -31975 6507.5 -38482 -38482 -1.0267 -1.4567 -0.081252 49091 2024-05-16 22:13:37,610 INFO [main.py:798]
{rank 0/64} MD step = 28200 step time: 00:00:00.370508 Performance: 41.380 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-16 22:13:42,987 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 60.177 -31927 6595.4 -38523 -38523 -1.0312 -1.4621 -0.082119 49257 2024-05-16 22:14:17,855 INFO [main.py:798]
{rank 0/64} MD step = 28300 step time: 00:00:00.353683 Performance: 41.386 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-16 22:14:24,025 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 28300 5660 59.802 -31912 6554.4 -38466 -38466 -1.0342 -1.4696 -0.082824 49456 2024-05-16 22:14:58,964 INFO [main.py:798]
{rank 0/64} MD step = 28400 step time: 00:00:00.355253 Performance: 41.388 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-16 22:15:09,527 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 60.253 -32025 6603.9 -38629 -38629 -1.0372 -1.4748 -0.083128 49613 2024-05-16 22:15:44,562 INFO [main.py:798]
{rank 0/64} MD step = 28500 step time: 00:00:00.348264 Performance: 41.374 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-16 22:15:49,041 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 28500 5700 59.32 -32004 6501.6 -38505 -38505 -1.0415 -1.4808 -0.083128 49793 2024-05-16 22:16:25,041 INFO [main.py:798]
{rank 0/64} MD step = 28600 step time: 00:00:00.341941 Performance: 41.379 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-16 22:16:30,404 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 28600 5720 59.774 -32067 6551.3 -38618 -38618 -1.0446 -1.4867 -0.083262 49916 2024-05-16 22:17:04,579 INFO [main.py:798]
{rank 0/64} MD step = 28700 step time: 00:00:00.350004 Performance: 41.387 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-16 22:17:10,976 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 28700 5740 59.633 -31995 6535.8 -38531 -38531 -1.047 -1.4937 -0.084424 50150 2024-05-16 22:17:45,381 INFO [main.py:798]
{rank 0/64} MD step = 28800 step time: 00:00:00.354464 Performance: 41.390 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-16 22:17:53,260 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 59.822 -31828 6556.6 -38385 -38385 -1.052 -1.4998 -0.085414 50325 2024-05-16 22:18:28,225 INFO [main.py:798]
{rank 0/64} MD step = 28900 step time: 00:00:00.351732 Performance: 41.386 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-16 22:18:36,114 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 60.359 -31934 6615.4 -38549 -38549 -1.0546 -1.5044 -0.085452 50461 2024-05-16 22:19:10,579 INFO [main.py:798]
{rank 0/64} MD step = 29000 step time: 00:00:00.341979 Performance: 41.384 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-16 22:19:17,088 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 59.829 -31817 6557.3 -38375 -38375 -1.0576 -1.5106 -0.083329 50676 2024-05-16 22:20:03,944 INFO [main.py:798]
{rank 0/64} MD step = 29100 step time: 00:00:00.334619 Performance: 41.345 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 22:20:12,796 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 29100 5820 60.711 -31797 6654 -38451 -38451 -1.0607 -1.5171 -0.085605 50853 2024-05-16 22:20:47,953 INFO [main.py:798]
{rank 0/64} MD step = 29200 step time: 00:00:00.379826 Performance: 41.337 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 22:20:55,950 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 59.546 -31987 6526.3 -38513 -38513 -1.0645 -1.522 -0.085986 51026 2024-05-16 22:21:30,834 INFO [main.py:798]
{rank 0/64} MD step = 29300 step time: 00:00:00.335386 Performance: 41.333 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 22:21:34,817 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 60.465 -31906 6627 -38533 -38533 -1.0673 -1.5276 -0.086786 51201 2024-05-16 22:22:10,861 INFO [main.py:798]
{rank 0/64} MD step = 29400 step time: 00:00:00.357677 Performance: 41.339 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 22:22:16,133 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 29400 5880 59.834 -31956 6557.9 -38513 -38513 -1.0701 -1.5322 -0.087091 51368 2024-05-16 22:22:51,469 INFO [main.py:798]
{rank 0/64} MD step = 29500 step time: 00:00:00.354490 Performance: 41.343 ns/day 0.581 hours/ns 2.393 steps/s 2024-05-16 22:22:57,264 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 29500 5900 59.843 -31994 6558.9 -38553 -38553 -1.0749 -1.5368 -0.08911 51505 2024-05-16 22:23:32,139 INFO [main.py:798]
{rank 0/64} MD step = 29600 step time: 00:00:00.347897 Performance: 41.347 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 22:23:38,605 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 29600 5920 59.532 -31926 6524.8 -38451 -38451 -1.0787 -1.5444 -0.090748 51707 2024-05-16 22:24:13,092 INFO [main.py:798]
{rank 0/64} MD step = 29700 step time: 00:00:00.335843 Performance: 41.350 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 22:24:18,527 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 29700 5940 60.239 -31780 6602.2 -38382 -38382 -1.0833 -1.5491 -0.090081 51884 2024-05-16 22:24:55,532 INFO [main.py:798]
{rank 0/64} MD step = 29800 step time: 00:00:00.331502 Performance: 41.348 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 22:25:01,598 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 59.582 -31940 6530.3 -38470 -38470 -1.0868 -1.5556 -0.090129 52059 2024-05-16 22:25:36,531 INFO [main.py:798]
{rank 0/64} MD step = 29900 step time: 00:00:00.338694 Performance: 41.350 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 22:25:40,809 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 29900 5980 60.164 -31712 6594.1 -38306 -38306 -1.0917 -1.5592 -0.090291 52265 2024-05-16 22:26:16,457 INFO [main.py:798]
{rank 0/64} MD step = 30000 step time: 00:00:00.331369 Performance: 41.357 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 22:26:24,799 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30000 6000 60.444 -31881 6624.7 -38506 -38506 -1.0962 -1.5642 -0.091081 52408 2024-05-16 22:26:59,574 INFO [main.py:798]
{rank 0/64} MD step = 30100 step time: 00:00:00.331843 Performance: 41.352 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 22:27:05,641 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30100 6020 60.569 -31741 6638.5 -38379 -38379 -1.1 -1.5697 -0.091167 52598 2024-05-16 22:27:40,151 INFO [main.py:798]
{rank 0/64} MD step = 30200 step time: 00:00:00.334841 Performance: 41.356 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 22:27:53,266 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30200 6040 59.829 -31812 6557.3 -38369 -38369 -1.1022 -1.5757 -0.092262 52804 2024-05-16 22:28:27,352 INFO [main.py:798]
{rank 0/64} MD step = 30300 step time: 00:00:00.356833 Performance: 41.338 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 22:28:31,557 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30300 6060 59.957 -31836 6571.3 -38407 -38407 -1.1045 -1.5827 -0.093129 52974 2024-05-16 22:29:08,166 INFO [main.py:798]
{rank 0/64} MD step = 30400 step time: 00:00:00.356967 Performance: 41.342 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 22:29:14,811 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30400 6080 59.768 -31898 6550.7 -38449 -38449 -1.1085 -1.5897 -0.092596 53164 2024-05-16 22:29:49,168 INFO [main.py:798]
{rank 0/64} MD step = 30500 step time: 00:00:00.340265 Performance: 41.344 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 22:29:55,034 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30500 6100 59.967 -31842 6572.5 -38414 -38414 -1.1121 -1.5958 -0.095401 53364 2024-05-16 22:30:29,795 INFO [main.py:798]
{rank 0/64} MD step = 30600 step time: 00:00:00.344506 Performance: 41.348 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 22:30:36,015 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 60.714 -31681 6654.4 -38335 -38335 -1.1163 -1.6016 -0.095129 53553 2024-05-16 22:31:11,084 INFO [main.py:798]
{rank 0/64} MD step = 30700 step time: 00:00:00.375572 Performance: 41.350 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 22:31:16,597 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30700 6140 59.52 -31960 6523.5 -38483 -38483 -1.118 -1.6066 -0.095196 53680 2024-05-16 22:31:52,331 INFO [main.py:798]
{rank 0/64} MD step = 30800 step time: 00:00:00.355461 Performance: 41.351 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 22:31:59,716 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30800 6160 60.788 -31759 6662.5 -38422 -38422 -1.1203 -1.6132 -0.095586 53855 2024-05-16 22:32:33,980 INFO [main.py:798]
{rank 0/64} MD step = 30900 step time: 00:00:00.345758 Performance: 41.352 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 22:32:41,339 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 59.949 -31895 6570.5 -38465 -38465 -1.1238 -1.6186 -0.097186 54019 2024-05-16 22:33:17,062 INFO [main.py:798]
{rank 0/64} MD step = 31000 step time: 00:00:00.372446 Performance: 41.348 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 22:33:24,531 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31000 6200 60.486 -31886 6629.3 -38515 -38515 -1.1263 -1.625 -0.098406 54205 2024-05-16 22:33:58,898 INFO [main.py:798]
{rank 0/64} MD step = 31100 step time: 00:00:00.355107 Performance: 41.348 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 22:34:03,890 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31100 6220 60.356 -31732 6615.1 -38347 -38347 -1.1308 -1.6302 -0.098739 54395 2024-05-16 22:34:38,149 INFO [main.py:798]
{rank 0/64} MD step = 31200 step time: 00:00:00.351788 Performance: 41.356 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 22:34:44,848 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31200 6240 60.33 -31863 6612.2 -38475 -38475 -1.1337 -1.6339 -0.098177 54554 2024-05-16 22:35:19,271 INFO [main.py:798]
{rank 0/64} MD step = 31300 step time: 00:00:00.359333 Performance: 41.358 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 22:35:23,769 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 60.319 -31811 6611.1 -38423 -38423 -1.1379 -1.6398 -0.09911 54757 2024-05-16 22:36:04,816 INFO [main.py:798]
{rank 0/64} MD step = 31400 step time: 00:00:00.371431 Performance: 41.346 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 22:36:10,025 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31400 6280 60.5 -31847 6630.9 -38478 -38478 -1.1401 -1.6451 -0.099663 54906 2024-05-16 22:36:44,523 INFO [main.py:798]
{rank 0/64} MD step = 31500 step time: 00:00:00.353569 Performance: 41.352 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 22:36:49,866 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 58.84 -32158 6448.9 -38607 -38607 -1.1442 -1.6511 -0.09931 55042 2024-05-16 22:37:25,122 INFO [main.py:798]
{rank 0/64} MD step = 31600 step time: 00:00:00.334919 Performance: 41.356 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 22:37:31,035 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31600 6320 60.249 -31798 6603.4 -38402 -38402 -1.1474 -1.6554 -0.09951 55259 2024-05-16 22:38:05,786 INFO [main.py:798]
{rank 0/64} MD step = 31700 step time: 00:00:00.350297 Performance: 41.360 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 22:38:11,065 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31700 6340 60.027 -31902 6579 -38481 -38481 -1.1493 -1.6613 -0.10054 55397 2024-05-16 22:38:46,094 INFO [main.py:798]
{rank 0/64} MD step = 31800 step time: 00:00:00.357587 Performance: 41.364 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-16 22:38:57,013 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31800 6360 60.652 -31808 6647.5 -38456 -38456 -1.1539 -1.6663 -0.10029 55600 2024-05-16 22:39:31,925 INFO [main.py:798]
{rank 0/64} MD step = 31900 step time: 00:00:00.362096 Performance: 41.352 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 22:39:37,920 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31900 6380 60.691 -31695 6651.9 -38347 -38347 -1.1569 -1.6709 -0.10041 55791 2024-05-16 22:40:12,209 INFO [main.py:798]
{rank 0/64} MD step = 32000 step time: 00:00:00.345625 Performance: 41.356 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 22:40:17,655 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 60.589 -31815 6640.6 -38456 -38456 -1.1612 -1.6764 -0.10046 55976 2024-05-16 22:40:52,215 INFO [main.py:798]
{rank 0/64} MD step = 32100 step time: 00:00:00.352353 Performance: 41.362 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-16 22:40:57,180 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32100 6420 59.521 -32117 6523.5 -38641 -38641 -1.1655 -1.6816 -0.10096 56133 2024-05-16 22:41:31,843 INFO [main.py:798]
{rank 0/64} MD step = 32200 step time: 00:00:00.344671 Performance: 41.368 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-16 22:41:36,450 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 58.547 -32005 6416.8 -38422 -38422 -1.168 -1.6881 -0.10104 56329 2024-05-16 22:42:12,227 INFO [main.py:798]
{rank 0/64} MD step = 32300 step time: 00:00:00.337254 Performance: 41.373 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-16 22:42:18,062 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32300 6460 59.776 -31843 6551.6 -38394 -38394 -1.1717 -1.6942 -0.10077 56507 2024-05-16 22:42:54,386 INFO [main.py:798]
{rank 0/64} MD step = 32400 step time: 00:00:00.381764 Performance: 41.371 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-16 22:43:05,927 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32400 6480 60.221 -31897 6600.3 -38497 -38497 -1.1761 -1.6999 -0.1005 56692 2024-05-16 22:43:40,657 INFO [main.py:798]
{rank 0/64} MD step = 32500 step time: 00:00:00.354802 Performance: 41.358 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 22:43:48,151 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32500 6500 59.081 -31952 6475.3 -38427 -38427 -1.1791 -1.707 -0.1004 56892 2024-05-16 22:44:22,662 INFO [main.py:798]
{rank 0/64} MD step = 32600 step time: 00:00:00.349024 Performance: 41.357 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 22:44:27,656 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 59.532 -31813 6524.8 -38338 -38338 -1.1816 -1.7125 -0.10058 57069 2024-05-16 22:45:04,316 INFO [main.py:798]
{rank 0/64} MD step = 32700 step time: 00:00:00.357959 Performance: 41.357 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 22:45:09,576 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32700 6540 59.794 -31818 6553.5 -38372 -38372 -1.1842 -1.7172 -0.10026 57218 2024-05-16 22:45:46,212 INFO [main.py:798]
{rank 0/64} MD step = 32800 step time: 00:00:00.367438 Performance: 41.357 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 22:45:52,609 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32800 6560 60.429 -31760 6623 -38383 -38383 -1.1884 -1.7237 -0.1016 57403 2024-05-16 22:46:26,856 INFO [main.py:798]
{rank 0/64} MD step = 32900 step time: 00:00:00.359276 Performance: 41.360 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-16 22:46:32,661 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32900 6580 59.461 -31950 6517 -38467 -38467 -1.1914 -1.7285 -0.10178 57522 2024-05-16 22:47:08,301 INFO [main.py:798]
{rank 0/64} MD step = 33000 step time: 00:00:00.357679 Performance: 41.361 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-16 22:47:14,411 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 59.392 -31987 6509.5 -38497 -38497 -1.1945 -1.7345 -0.10122 57660 2024-05-16 22:47:49,631 INFO [main.py:798]
{rank 0/64} MD step = 33100 step time: 00:00:00.362315 Performance: 41.363 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-16 22:47:54,667 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33100 6620 60.225 -31858 6600.7 -38458 -38458 -1.1961 -1.7391 -0.10147 57859 2024-05-16 22:48:29,840 INFO [main.py:798]
{rank 0/64} MD step = 33200 step time: 00:00:00.349627 Performance: 41.367 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-16 22:48:36,069 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33200 6640 59.301 -31949 6499.4 -38448 -38448 -1.1991 -1.7444 -0.10076 58051 2024-05-16 22:49:12,176 INFO [main.py:798]
{rank 0/64} MD step = 33300 step time: 00:00:00.373543 Performance: 41.366 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-16 22:49:19,916 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33300 6660 59.723 -31977 6545.8 -38523 -38523 -1.202 -1.7504 -0.10131 58203 2024-05-16 22:49:55,692 INFO [main.py:798]
{rank 0/64} MD step = 33400 step time: 00:00:00.329883 Performance: 41.361 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-16 22:50:01,287 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 59.063 -32001 6473.4 -38475 -38475 -1.206 -1.7567 -0.10178 58369 2024-05-16 22:50:38,327 INFO [main.py:798]
{rank 0/64} MD step = 33500 step time: 00:00:00.333871 Performance: 41.358 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 22:50:46,611 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33500 6700 59.447 -31973 6515.5 -38489 -38489 -1.2095 -1.7606 -0.10092 58577 2024-05-16 22:51:22,454 INFO [main.py:798]
{rank 0/64} MD step = 33600 step time: 00:00:00.350389 Performance: 41.351 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 22:51:30,514 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33600 6720 59.787 -31929 6552.7 -38481 -38481 -1.2131 -1.7654 -0.10111 58725 2024-05-16 22:52:05,267 INFO [main.py:798]
{rank 0/64} MD step = 33700 step time: 00:00:00.362306 Performance: 41.348 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 22:52:12,721 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33700 6740 59.855 -31744 6560.2 -38304 -38304 -1.2194 -1.7699 -0.10299 58929 2024-05-16 22:52:47,866 INFO [main.py:798]
{rank 0/64} MD step = 33800 step time: 00:00:00.376267 Performance: 41.346 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 22:52:56,474 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33800 6760 59.216 -31988 6490.2 -38478 -38478 -1.2257 -1.7761 -0.10346 59089 2024-05-16 22:53:31,256 INFO [main.py:798]
{rank 0/64} MD step = 33900 step time: 00:00:00.354051 Performance: 41.341 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 22:53:36,598 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 59.391 -31822 6509.3 -38331 -38331 -1.2309 -1.7817 -0.10314 59304 2024-05-16 22:54:10,979 INFO [main.py:798]
{rank 0/64} MD step = 34000 step time: 00:00:00.357546 Performance: 41.347 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 22:54:17,349 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34000 6800 59.141 -31895 6481.9 -38377 -38377 -1.2347 -1.7867 -0.10257 59424 2024-05-16 22:54:51,658 INFO [main.py:798]
{rank 0/64} MD step = 34100 step time: 00:00:00.352269 Performance: 41.350 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 22:54:56,993 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34100 6820 60.177 -31846 6595.5 -38442 -38442 -1.2385 -1.7911 -0.10224 59583 2024-05-16 22:55:32,239 INFO [main.py:798]
{rank 0/64} MD step = 34200 step time: 00:00:00.350736 Performance: 41.354 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 22:55:37,491 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34200 6840 60.244 -31772 6602.8 -38375 -38375 -1.2431 -1.7975 -0.10122 59804 2024-05-16 22:56:12,835 INFO [main.py:798]
{rank 0/64} MD step = 34300 step time: 00:00:00.364538 Performance: 41.357 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 22:56:19,282 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34300 6860 59.912 -31992 6566.4 -38558 -38558 -1.2463 -1.8036 -0.1002 59944 2024-05-16 22:56:53,685 INFO [main.py:798]
{rank 0/64} MD step = 34400 step time: 00:00:00.340941 Performance: 41.360 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-16 22:57:05,976 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34400 6880 60.084 -31957 6585.3 -38542 -38542 -1.2498 -1.809 -0.098729 60111 2024-05-16 22:57:43,469 INFO [main.py:798]
{rank 0/64} MD step = 34500 step time: 00:00:00.351082 Performance: 41.337 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 22:57:48,977 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 60.419 -31883 6622 -38505 -38505 -1.2533 -1.8127 -0.098329 60302 2024-05-16 22:58:22,484 INFO [main.py:798]
{rank 0/64} MD step = 34600 step time: 00:00:00.341695 Performance: 41.345 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 22:58:28,210 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34600 6920 59.733 -31906 6546.8 -38452 -38452 -1.2549 -1.8182 -0.097472 60470 2024-05-16 22:59:02,783 INFO [main.py:798]
{rank 0/64} MD step = 34700 step time: 00:00:00.353936 Performance: 41.349 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 22:59:13,510 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34700 6940 60.54 -31820 6635.2 -38455 -38455 -1.2583 -1.8241 -0.097167 60652 2024-05-16 22:59:49,434 INFO [main.py:798]
{rank 0/64} MD step = 34800 step time: 00:00:00.367309 Performance: 41.336 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 22:59:57,924 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 59.127 -31980 6480.3 -38461 -38461 -1.2611 -1.8308 -0.096291 60829 2024-05-16 23:00:33,007 INFO [main.py:798]
{rank 0/64} MD step = 34900 step time: 00:00:00.357172 Performance: 41.331 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 23:00:37,920 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34900 6980 60.359 -31941 6615.4 -38557 -38557 -1.265 -1.8377 -0.096044 60965 2024-05-16 23:01:12,113 INFO [main.py:798]
{rank 0/64} MD step = 35000 step time: 00:00:00.343718 Performance: 41.338 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 23:01:18,380 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35000 7000 59.215 -32012 6490 -38502 -38502 -1.2697 -1.8425 -0.09352 61158 2024-05-16 23:01:52,907 INFO [main.py:798]
{rank 0/64} MD step = 35100 step time: 00:00:00.347165 Performance: 41.341 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 23:01:58,418 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 60.442 -31846 6624.5 -38471 -38471 -1.2724 -1.8483 -0.092386 61333 2024-05-16 23:02:32,970 INFO [main.py:798]
{rank 0/64} MD step = 35200 step time: 00:00:00.354960 Performance: 41.346 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 23:02:38,787 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35200 7040 60.253 -31833 6603.8 -38437 -38437 -1.2761 -1.8547 -0.092577 61516 2024-05-16 23:03:14,612 INFO [main.py:798]
{rank 0/64} MD step = 35300 step time: 00:00:00.356594 Performance: 41.346 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 23:03:21,583 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 60.188 -31785 6596.6 -38381 -38381 -1.28 -1.8592 -0.094482 61692 2024-05-16 23:03:57,607 INFO [main.py:798]
{rank 0/64} MD step = 35400 step time: 00:00:00.373091 Performance: 41.343 ns/day 0.581 hours/ns 2.393 steps/s 2024-05-16 23:04:03,841 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 59.789 -31991 6552.9 -38544 -38544 -1.283 -1.8658 -0.09492 61850 2024-05-16 23:04:39,544 INFO [main.py:798]
{rank 0/64} MD step = 35500 step time: 00:00:00.353999 Performance: 41.343 ns/day 0.581 hours/ns 2.393 steps/s 2024-05-16 23:04:51,230 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35500 7100 59.683 -31880 6541.3 -38421 -38421 -1.2879 -1.872 -0.095453 62045 2024-05-16 23:05:25,932 INFO [main.py:798]
{rank 0/64} MD step = 35600 step time: 00:00:00.370270 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 23:05:33,305 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 60.07 -31914 6583.7 -38497 -38497 -1.2925 -1.8776 -0.094658 62224 2024-05-16 23:06:09,520 INFO [main.py:798]
{rank 0/64} MD step = 35700 step time: 00:00:00.385768 Performance: 41.325 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-16 23:06:14,019 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35700 7140 59.31 -32002 6500.4 -38503 -38503 -1.2969 -1.8829 -0.093872 62376 2024-05-16 23:06:50,351 INFO [main.py:798]
{rank 0/64} MD step = 35800 step time: 00:00:00.352878 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 23:06:55,260 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 60.073 -31883 6584.1 -38467 -38467 -1.3011 -1.8878 -0.094634 62557 2024-05-16 23:07:29,850 INFO [main.py:798]
{rank 0/64} MD step = 35900 step time: 00:00:00.356455 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 23:07:33,960 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35900 7180 60.38 -31914 6617.7 -38532 -38532 -1.3044 -1.8929 -0.094482 62680 2024-05-16 23:08:10,285 INFO [main.py:798]
{rank 0/64} MD step = 36000 step time: 00:00:00.336585 Performance: 41.338 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 23:08:16,670 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36000 7200 60.581 -31819 6639.8 -38458 -38458 -1.3102 -1.8987 -0.094062 62908 2024-05-16 23:08:50,573 INFO [main.py:798]
{rank 0/64} MD step = 36100 step time: 00:00:00.353218 Performance: 41.342 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 23:08:59,179 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36100 7220 60.341 -31891 6613.4 -38504 -38504 -1.3141 -1.9043 -0.093681 63081 2024-05-16 23:09:33,986 INFO [main.py:798]
{rank 0/64} MD step = 36200 step time: 00:00:00.354537 Performance: 41.337 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 23:09:40,789 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 59.854 -31985 6560.1 -38545 -38545 -1.3166 -1.9099 -0.094577 63242 2024-05-16 23:10:15,083 INFO [main.py:798]
{rank 0/64} MD step = 36300 step time: 00:00:00.355695 Performance: 41.339 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 23:10:22,109 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36300 7260 59.753 -31990 6548.9 -38539 -38539 -1.3205 -1.9153 -0.093329 63399 2024-05-16 23:10:56,718 INFO [main.py:798]
{rank 0/64} MD step = 36400 step time: 00:00:00.365226 Performance: 41.340 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 23:11:02,377 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36400 7280 59.595 -32030 6531.6 -38562 -38562 -1.3245 -1.9202 -0.093681 63553 2024-05-16 23:11:36,800 INFO [main.py:798]
{rank 0/64} MD step = 36500 step time: 00:00:00.359645 Performance: 41.344 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 23:11:43,637 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 59.401 -31909 6510.4 -38420 -38420 -1.3277 -1.9268 -0.094167 63764 2024-05-16 23:12:19,410 INFO [main.py:798]
{rank 0/64} MD step = 36600 step time: 00:00:00.341427 Performance: 41.342 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 23:12:25,791 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 60.374 -31810 6617.1 -38427 -38427 -1.333 -1.933 -0.094043 63969 2024-05-16 23:13:00,019 INFO [main.py:798]
{rank 0/64} MD step = 36700 step time: 00:00:00.348124 Performance: 41.345 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 23:13:06,676 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36700 7340 60.115 -31970 6588.7 -38559 -38559 -1.3382 -1.937 -0.09532 64150 2024-05-16 23:13:41,055 INFO [main.py:798]
{rank 0/64} MD step = 36800 step time: 00:00:00.342984 Performance: 41.348 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-16 23:13:50,206 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 61.144 -31833 6701.5 -38534 -38534 -1.3435 -1.9424 -0.095205 64325 2024-05-16 23:14:24,716 INFO [main.py:798]
{rank 0/64} MD step = 36900 step time: 00:00:00.345370 Performance: 41.343 ns/day 0.581 hours/ns 2.393 steps/s 2024-05-16 23:14:35,992 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36900 7380 60.412 -32046 6621.2 -38667 -38667 -1.3464 -1.947 -0.096063 64510 2024-05-16 23:15:11,615 INFO [main.py:798]
{rank 0/64} MD step = 37000 step time: 00:00:00.337203 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 23:15:35,826 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 60.348 -31877 6614.2 -38491 -38491 -1.3517 -1.953 -0.096196 64701 2024-05-16 23:16:10,873 INFO [main.py:798]
{rank 0/64} MD step = 37100 step time: 00:00:00.345570 Performance: 41.282 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-16 23:16:16,138 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 37100 7420 59.715 -31953 6544.9 -38498 -38498 -1.3553 -1.9591 -0.09631 64912 2024-05-16 23:16:53,216 INFO [main.py:798]
{rank 0/64} MD step = 37200 step time: 00:00:00.349625 Performance: 41.281 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-16 23:17:00,058 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 37200 7440 58.687 -32176 6432.2 -38609 -38609 -1.3595 -1.9655 -0.096367 65072 2024-05-16 23:17:34,586 INFO [main.py:798]
{rank 0/64} MD step = 37300 step time: 00:00:00.339531 Performance: 41.282 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-16 23:17:39,626 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 59.679 -31887 6540.9 -38428 -38428 -1.3647 -1.972 -0.096034 65265 2024-05-16 23:18:15,217 INFO [main.py:798]
{rank 0/64} MD step = 37400 step time: 00:00:00.335649 Performance: 41.286 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-16 23:18:21,084 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 37400 7480 60.336 -32024 6612.9 -38637 -38637 -1.369 -1.9771 -0.095891 65430 2024-05-16 23:18:54,865 INFO [main.py:798]
{rank 0/64} MD step = 37500 step time: 00:00:00.353649 Performance: 41.291 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-16 23:18:59,661 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 37500 7500 59.307 -32056 6500.1 -38556 -38556 -1.3702 -1.9812 -0.095529 65600 2024-05-16 23:19:34,617 INFO [main.py:798]
{rank 0/64} MD step = 37600 step time: 00:00:00.358344 Performance: 41.297 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-16 23:19:43,414 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 59.543 -32005 6526 -38532 -38532 -1.3735 -1.9869 -0.095701 65770 2024-05-16 23:20:17,711 INFO [main.py:798]
{rank 0/64} MD step = 37700 step time: 00:00:00.351914 Performance: 41.294 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-16 23:20:22,840 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 37700 7540 59.929 -31877 6568.3 -38445 -38445 -1.3783 -1.9934 -0.09711 65962 2024-05-16 23:20:57,041 INFO [main.py:798]
{rank 0/64} MD step = 37800 step time: 00:00:00.351199 Performance: 41.300 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-16 23:21:03,164 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 37800 7560 60.304 -31850 6609.3 -38459 -38459 -1.3816 -2 -0.097682 66116 2024-05-16 23:21:37,833 INFO [main.py:798]
{rank 0/64} MD step = 37900 step time: 00:00:00.346624 Performance: 41.303 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-16 23:21:43,704 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 37900 7580 60.694 -31795 6652.1 -38448 -38448 -1.3854 -2.0055 -0.098891 66278 2024-05-16 23:22:17,599 INFO [main.py:798]
{rank 0/64} MD step = 38000 step time: 00:00:00.361237 Performance: 41.308 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-16 23:22:25,772 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38000 7600 60.858 -31769 6670.1 -38439 -38439 -1.3901 -2.0118 -0.10042 66465 2024-05-16 23:22:59,997 INFO [main.py:798]
{rank 0/64} MD step = 38100 step time: 00:00:00.379847 Performance: 41.307 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-16 23:23:08,484 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 59.695 -31997 6542.7 -38539 -38539 -1.3964 -2.017 -0.099729 66602 2024-05-16 23:23:43,239 INFO [main.py:798]
{rank 0/64} MD step = 38200 step time: 00:00:00.377794 Performance: 41.303 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-16 23:23:48,351 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38200 7640 59.403 -31911 6510.7 -38421 -38421 -1.4004 -2.0224 -0.099329 66816 2024-05-16 23:24:22,752 INFO [main.py:798]
{rank 0/64} MD step = 38300 step time: 00:00:00.357460 Performance: 41.309 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-16 23:24:27,575 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38300 7660 60.191 -31934 6597 -38531 -38531 -1.4049 -2.0281 -0.099491 66948 2024-05-16 23:25:02,638 INFO [main.py:798]
{rank 0/64} MD step = 38400 step time: 00:00:00.350069 Performance: 41.314 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-16 23:25:07,171 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 60.183 -32023 6596.1 -38619 -38619 -1.4073 -2.0355 -0.10004 67128 2024-05-16 23:25:42,963 INFO [main.py:798]
{rank 0/64} MD step = 38500 step time: 00:00:00.360112 Performance: 41.318 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-16 23:25:47,998 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38500 7700 60.185 -31799 6596.3 -38395 -38395 -1.4104 -2.0405 -0.10044 67349 2024-05-16 23:26:22,585 INFO [main.py:798]
{rank 0/64} MD step = 38600 step time: 00:00:00.356265 Performance: 41.324 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-16 23:26:28,350 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38600 7720 58.811 -32126 6445.8 -38572 -38572 -1.4136 -2.0451 -0.098953 67515 2024-05-16 23:27:02,968 INFO [main.py:798]
{rank 0/64} MD step = 38700 step time: 00:00:00.344509 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 23:27:08,806 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38700 7740 59.546 -31934 6526.3 -38460 -38460 -1.4168 -2.0518 -0.098844 67689 2024-05-16 23:27:43,262 INFO [main.py:798]
{rank 0/64} MD step = 38800 step time: 00:00:00.351210 Performance: 41.331 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 23:27:48,950 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38800 7760 60.039 -31989 6580.4 -38569 -38569 -1.4218 -2.0578 -0.099387 67845 2024-05-16 23:28:22,943 INFO [main.py:798]
{rank 0/64} MD step = 38900 step time: 00:00:00.360579 Performance: 41.337 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 23:28:30,009 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38900 7780 60.276 -31873 6606.3 -38479 -38479 -1.4264 -2.0645 -0.10107 68030 2024-05-16 23:29:04,865 INFO [main.py:798]
{rank 0/64} MD step = 39000 step time: 00:00:00.345734 Performance: 41.336 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 23:29:14,032 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 39000 7800 59.681 -31911 6541.2 -38453 -38453 -1.4298 -2.0716 -0.10072 68186 2024-05-16 23:29:49,957 INFO [main.py:798]
{rank 0/64} MD step = 39100 step time: 00:00:00.353880 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 23:29:57,218 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 39100 7820 59.308 -32147 6500.2 -38648 -38648 -1.4343 -2.0769 -0.099129 68355 2024-05-16 23:30:31,547 INFO [main.py:798]
{rank 0/64} MD step = 39200 step time: 00:00:00.354395 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 23:30:38,395 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 60.322 -31935 6611.3 -38547 -38547 -1.4361 -2.0817 -0.098234 68510 2024-05-16 23:31:13,595 INFO [main.py:798]
{rank 0/64} MD step = 39300 step time: 00:00:00.355531 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 23:31:20,132 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 39300 7860 60.108 -31882 6587.9 -38470 -38470 -1.4384 -2.0865 -0.09671 68663 2024-05-16 23:31:54,681 INFO [main.py:798]
{rank 0/64} MD step = 39400 step time: 00:00:00.343646 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 23:32:01,568 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 58.892 -31926 6454.7 -38380 -38380 -1.4404 -2.0928 -0.096063 68875 2024-05-16 23:32:36,071 INFO [main.py:798]
{rank 0/64} MD step = 39500 step time: 00:00:00.339772 Performance: 41.331 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 23:32:43,713 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 59.668 -31869 6539.7 -38409 -38409 -1.4414 -2.0986 -0.096091 69038 2024-05-16 23:33:18,991 INFO [main.py:798]
{rank 0/64} MD step = 39600 step time: 00:00:00.344619 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 23:33:25,371 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 58.979 -32082 6464.2 -38546 -38546 -1.444 -2.1043 -0.096805 69146 2024-05-16 23:34:00,198 INFO [main.py:798]
{rank 0/64} MD step = 39700 step time: 00:00:00.347764 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 23:34:06,956 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 39700 7940 59.933 -31864 6568.8 -38432 -38432 -1.4486 -2.1095 -0.097358 69320 2024-05-16 23:34:41,217 INFO [main.py:798]
{rank 0/64} MD step = 39800 step time: 00:00:00.359289 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 23:34:51,301 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 60.348 -31842 6614.3 -38457 -38457 -1.4525 -2.114 -0.096405 69519 2024-05-16 23:35:26,249 INFO [main.py:798]
{rank 0/64} MD step = 39900 step time: 00:00:00.370622 Performance: 41.324 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-16 23:35:33,337 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 60.158 -31702 6593.4 -38295 -38295 -1.4575 -2.1194 -0.095396 69720 2024-05-16 23:36:07,944 INFO [main.py:798]
{rank 0/64} MD step = 40000 step time: 00:00:00.358009 Performance: 41.324 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-16 23:36:13,437 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 59.836 -32033 6558.1 -38591 -38591 -1.4606 -2.1249 -0.093605 69812 2024-05-16 23:36:47,984 INFO [main.py:798]
{rank 0/64} MD step = 40100 step time: 00:00:00.335930 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 23:36:53,946 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 59.255 -31966 6494.5 -38460 -38460 -1.4653 -2.1286 -0.092043 69995 2024-05-16 23:37:28,617 INFO [main.py:798]
{rank 0/64} MD step = 40200 step time: 00:00:00.358363 Performance: 41.331 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 23:37:33,921 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 60.638 -31871 6646 -38517 -38517 -1.4683 -2.134 -0.089357 70184 2024-05-16 23:38:08,768 INFO [main.py:798]
{rank 0/64} MD step = 40300 step time: 00:00:00.341820 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 23:38:15,917 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 40300 8060 59.705 -31995 6543.8 -38539 -38539 -1.4727 -2.1395 -0.089195 70337 2024-05-16 23:38:49,951 INFO [main.py:798]
{rank 0/64} MD step = 40400 step time: 00:00:00.342299 Performance: 41.337 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 23:38:56,277 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 59.956 -31918 6571.3 -38489 -38489 -1.4759 -2.1453 -0.089519 70518 2024-05-16 23:39:30,963 INFO [main.py:798]
{rank 0/64} MD step = 40500 step time: 00:00:00.342990 Performance: 41.339 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 23:39:37,865 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 40500 8100 60.553 -31917 6636.7 -38554 -38554 -1.4804 -2.1511 -0.087491 70677 2024-05-16 23:40:12,427 INFO [main.py:798]
{rank 0/64} MD step = 40600 step time: 00:00:00.347255 Performance: 41.340 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 23:40:20,406 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 59.708 -32156 6544.1 -38700 -38700 -1.4847 -2.1577 -0.087395 70835 2024-05-16 23:40:55,746 INFO [main.py:798]
{rank 0/64} MD step = 40700 step time: 00:00:00.348721 Performance: 41.336 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 23:41:02,272 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 40700 8140 60.043 -32078 6580.7 -38659 -38659 -1.4874 -2.1622 -0.087243 70983 2024-05-16 23:41:36,745 INFO [main.py:798]
{rank 0/64} MD step = 40800 step time: 00:00:00.361935 Performance: 41.338 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 23:41:45,376 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 60.14 -31947 6591.4 -38539 -38539 -1.4919 -2.1669 -0.087324 71185 2024-05-16 23:42:20,298 INFO [main.py:798]
{rank 0/64} MD step = 40900 step time: 00:00:00.345186 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 23:42:26,404 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 59.672 -32033 6540.1 -38573 -38573 -1.4962 -2.1728 -0.086252 71379 2024-05-16 23:43:02,752 INFO [main.py:798]
{rank 0/64} MD step = 41000 step time: 00:00:00.343024 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 23:43:12,176 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 41000 8200 59.314 -32158 6500.8 -38659 -38659 -1.5005 -2.178 -0.085491 71550 2024-05-16 23:43:46,809 INFO [main.py:798]
{rank 0/64} MD step = 41100 step time: 00:00:00.383091 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-16 23:43:59,340 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 60.273 -31847 6606 -38453 -38453 -1.5027 -2.1847 -0.086262 71732 2024-05-16 23:44:34,515 INFO [main.py:798]
{rank 0/64} MD step = 41200 step time: 00:00:00.346084 Performance: 41.312 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-16 23:44:42,742 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 59.979 -31820 6573.8 -38394 -38394 -1.5049 -2.1896 -0.087529 71924 2024-05-16 23:45:17,107 INFO [main.py:798]
{rank 0/64} MD step = 41300 step time: 00:00:00.358712 Performance: 41.311 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-16 23:45:22,793 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 60.677 -31863 6650.3 -38513 -38513 -1.5076 -2.1943 -0.085757 72089 2024-05-16 23:45:57,624 INFO [main.py:798]
{rank 0/64} MD step = 41400 step time: 00:00:00.348263 Performance: 41.314 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-16 23:46:03,678 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 60.103 -31962 6587.3 -38550 -38550 -1.5108 -2.2 -0.0851 72249 2024-05-16 23:46:38,289 INFO [main.py:798]
{rank 0/64} MD step = 41500 step time: 00:00:00.353883 Performance: 41.317 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-16 23:46:44,173 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 41500 8300 59.888 -32015 6563.8 -38579 -38579 -1.5128 -2.2063 -0.084586 72429 2024-05-16 23:47:28,755 INFO [main.py:798]
{rank 0/64} MD step = 41600 step time: 00:00:00.353488 Performance: 41.296 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-16 23:47:38,278 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 41600 8320 60.212 -31833 6599.3 -38433 -38433 -1.5159 -2.2114 -0.085481 72597 2024-05-16 23:48:12,873 INFO [main.py:798]
{rank 0/64} MD step = 41700 step time: 00:00:00.357449 Performance: 41.291 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-16 23:48:21,004 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 41700 8340 60.026 -31838 6578.9 -38417 -38417 -1.5204 -2.2178 -0.086233 72736 2024-05-16 23:48:55,288 INFO [main.py:798]
{rank 0/64} MD step = 41800 step time: 00:00:00.349741 Performance: 41.289 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-16 23:49:01,432 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 60.925 -31725 6677.5 -38402 -38402 -1.5251 -2.2218 -0.08671 72919 2024-05-16 23:49:36,343 INFO [main.py:798]
{rank 0/64} MD step = 41900 step time: 00:00:00.339991 Performance: 41.291 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-16 23:49:42,789 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 41900 8380 59.318 -31989 6501.3 -38491 -38491 -1.5291 -2.2269 -0.085957 73097 2024-05-16 23:50:18,592 INFO [main.py:798]
{rank 0/64} MD step = 42000 step time: 00:00:00.347557 Performance: 41.290 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-16 23:50:23,232 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 60.15 -31828 6592.5 -38420 -38420 -1.5337 -2.2314 -0.086472 73256 2024-05-16 23:50:58,265 INFO [main.py:798]
{rank 0/64} MD step = 42100 step time: 00:00:00.355893 Performance: 41.295 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-16 23:51:04,123 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 59.842 -31836 6558.8 -38395 -38395 -1.5388 -2.2377 -0.085348 73444 2024-05-16 23:51:38,545 INFO [main.py:798]
{rank 0/64} MD step = 42200 step time: 00:00:00.357850 Performance: 41.299 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-16 23:51:43,703 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 60.587 -31994 6640.4 -38635 -38635 -1.5425 -2.2428 -0.084929 73587 2024-05-16 23:52:18,642 INFO [main.py:798]
{rank 0/64} MD step = 42300 step time: 00:00:00.349895 Performance: 41.303 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-16 23:52:24,436 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 59.86 -32002 6560.7 -38563 -38563 -1.5465 -2.2489 -0.086957 73768 2024-05-16 23:53:01,143 INFO [main.py:798]
{rank 0/64} MD step = 42400 step time: 00:00:00.378473 Performance: 41.302 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-16 23:53:07,004 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 42400 8480 60.245 -31844 6603 -38447 -38447 -1.5519 -2.2537 -0.087281 73938 2024-05-16 23:53:41,253 INFO [main.py:798]
{rank 0/64} MD step = 42500 step time: 00:00:00.364181 Performance: 41.306 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-16 23:53:49,371 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 42500 8500 60.783 -31803 6661.9 -38465 -38465 -1.5559 -2.262 -0.0877 74097 2024-05-16 23:54:25,920 INFO [main.py:798]
{rank 0/64} MD step = 42600 step time: 00:00:00.376433 Performance: 41.299 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-16 23:54:33,440 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 58.726 -31862 6436.4 -38298 -38298 -1.5593 -2.2681 -0.087619 74276 2024-05-16 23:55:09,650 INFO [main.py:798]
{rank 0/64} MD step = 42700 step time: 00:00:00.380646 Performance: 41.295 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-16 23:55:19,423 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 42700 8540 60.332 -31913 6612.5 -38525 -38525 -1.5625 -2.274 -0.087462 74454 2024-05-16 23:55:53,891 INFO [main.py:798]
{rank 0/64} MD step = 42800 step time: 00:00:00.360834 Performance: 41.289 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-16 23:55:57,658 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 59.683 -31873 6541.3 -38415 -38415 -1.5656 -2.279 -0.08671 74605 2024-05-16 23:56:32,080 INFO [main.py:798]
{rank 0/64} MD step = 42900 step time: 00:00:00.334745 Performance: 41.298 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-16 23:56:37,489 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 42900 8580 60.445 -31784 6624.8 -38409 -38409 -1.568 -2.2845 -0.086767 74790 2024-05-16 23:57:12,219 INFO [main.py:798]
{rank 0/64} MD step = 43000 step time: 00:00:00.354190 Performance: 41.301 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-16 23:57:24,345 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 43000 8600 60.417 -31887 6621.8 -38509 -38509 -1.5713 -2.2898 -0.086462 74944 2024-05-16 23:57:58,948 INFO [main.py:798]
{rank 0/64} MD step = 43100 step time: 00:00:00.353797 Performance: 41.290 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-16 23:58:09,434 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 61.235 -31795 6711.4 -38507 -38507 -1.5749 -2.2958 -0.085486 75125 2024-05-16 23:58:43,196 INFO [main.py:798]
{rank 0/64} MD step = 43200 step time: 00:00:00.339169 Performance: 41.285 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-16 23:58:48,541 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 43200 8640 60.44 -31950 6624.2 -38574 -38574 -1.5782 -2.3014 -0.084481 75306 2024-05-16 23:59:24,952 INFO [main.py:798]
{rank 0/64} MD step = 43300 step time: 00:00:00.369696 Performance: 41.285 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-16 23:59:33,182 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 58.86 -32055 6451.1 -38506 -38506 -1.5808 -2.3057 -0.08471 75503 2024-05-17 00:00:08,872 INFO [main.py:798]
{rank 0/64} MD step = 43400 step time: 00:00:00.373691 Performance: 41.280 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 00:00:17,996 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 59.482 -31967 6519.3 -38486 -38486 -1.5831 -2.3111 -0.086091 75709 2024-05-17 00:00:52,887 INFO [main.py:798]
{rank 0/64} MD step = 43500 step time: 00:00:00.361092 Performance: 41.275 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 00:00:57,680 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 43500 8700 61.043 -31674 6690.4 -38364 -38364 -1.5869 -2.318 -0.085652 75887 2024-05-17 00:01:32,278 INFO [main.py:798]
{rank 0/64} MD step = 43600 step time: 00:00:00.353127 Performance: 41.281 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 00:01:43,062 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 43600 8720 60.272 -31788 6605.9 -38394 -38394 -1.5905 -2.3232 -0.084233 76055 2024-05-17 00:02:17,474 INFO [main.py:798]
{rank 0/64} MD step = 43700 step time: 00:00:00.350521 Performance: 41.273 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 00:02:22,801 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 60.139 -31861 6591.3 -38453 -38453 -1.5937 -2.3297 -0.082319 76214 2024-05-17 00:02:57,580 INFO [main.py:798]
{rank 0/64} MD step = 43800 step time: 00:00:00.346543 Performance: 41.277 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 00:03:03,432 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 60.394 -31839 6619.3 -38458 -38458 -1.5987 -2.3358 -0.080881 76375 2024-05-17 00:03:37,904 INFO [main.py:798]
{rank 0/64} MD step = 43900 step time: 00:00:00.344046 Performance: 41.281 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 00:03:44,157 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 43900 8780 59.412 -31970 6511.7 -38482 -38482 -1.6041 -2.3412 -0.081795 76552 2024-05-17 00:04:18,883 INFO [main.py:798]
{rank 0/64} MD step = 44000 step time: 00:00:00.345922 Performance: 41.283 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 00:04:25,202 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44000 8800 60.03 -31889 6579.3 -38468 -38468 -1.6072 -2.3465 -0.081481 76730 2024-05-17 00:04:59,716 INFO [main.py:798]
{rank 0/64} MD step = 44100 step time: 00:00:00.353360 Performance: 41.285 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 00:05:05,210 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44100 8820 60.002 -31953 6576.3 -38530 -38530 -1.6119 -2.35 -0.081376 76900 2024-05-17 00:05:40,998 INFO [main.py:798]
{rank 0/64} MD step = 44200 step time: 00:00:00.363057 Performance: 41.286 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 00:05:46,822 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44200 8840 60.355 -31842 6615 -38457 -38457 -1.6167 -2.3558 -0.081986 77080 2024-05-17 00:06:23,011 INFO [main.py:798]
{rank 0/64} MD step = 44300 step time: 00:00:00.349434 Performance: 41.286 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 00:06:27,981 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44300 8860 60.467 -31867 6627.2 -38495 -38495 -1.6226 -2.3604 -0.081376 77256 2024-05-17 00:07:04,149 INFO [main.py:798]
{rank 0/64} MD step = 44400 step time: 00:00:00.352128 Performance: 41.288 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 00:07:14,033 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44400 8880 60.02 -31974 6578.2 -38553 -38553 -1.6261 -2.3652 -0.082252 77405 2024-05-17 00:07:48,638 INFO [main.py:798]
{rank 0/64} MD step = 44500 step time: 00:00:00.358545 Performance: 41.282 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 00:07:54,418 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44500 8900 59.46 -31989 6516.9 -38506 -38506 -1.6307 -2.3704 -0.081462 77623 2024-05-17 00:08:30,465 INFO [main.py:798]
{rank 0/64} MD step = 44600 step time: 00:00:00.380546 Performance: 41.282 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 00:08:35,868 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 60.12 -31954 6589.3 -38543 -38543 -1.6352 -2.3761 -0.081719 77777 2024-05-17 00:09:10,021 INFO [main.py:798]
{rank 0/64} MD step = 44700 step time: 00:00:00.343023 Performance: 41.287 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 00:09:22,007 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 59.87 -32032 6561.8 -38594 -38594 -1.6369 -2.383 -0.081305 77986 2024-05-17 00:09:58,397 INFO [main.py:798]
{rank 0/64} MD step = 44800 step time: 00:00:00.369650 Performance: 41.273 ns/day 0.581 hours/ns 2.388 steps/s 2024-05-17 00:10:05,976 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44800 8960 60.278 -31882 6606.5 -38489 -38489 -1.639 -2.3895 -0.081795 78173 2024-05-17 00:10:42,623 INFO [main.py:798]
{rank 0/64} MD step = 44900 step time: 00:00:00.372804 Performance: 41.267 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 00:10:47,977 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44900 8980 59.823 -31842 6556.6 -38399 -38399 -1.6426 -2.3946 -0.081147 78307 2024-05-17 00:11:23,013 INFO [main.py:798]
{rank 0/64} MD step = 45000 step time: 00:00:00.348550 Performance: 41.271 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 00:11:35,610 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45000 9000 60.206 -31797 6598.6 -38395 -38395 -1.646 -2.4016 -0.08149 78492 2024-05-17 00:12:10,462 INFO [main.py:798]
{rank 0/64} MD step = 45100 step time: 00:00:00.328331 Performance: 41.259 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 00:12:18,261 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45100 9020 59.542 -31995 6525.8 -38521 -38521 -1.6506 -2.4086 -0.082271 78667 2024-05-17 00:12:52,355 INFO [main.py:798]
{rank 0/64} MD step = 45200 step time: 00:00:00.378564 Performance: 41.258 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 00:13:02,988 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 60.724 -31931 6655.4 -38587 -38587 -1.6527 -2.4142 -0.081309 78806 2024-05-17 00:13:37,374 INFO [main.py:798]
{rank 0/64} MD step = 45300 step time: 00:00:00.341085 Performance: 41.252 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 00:13:45,284 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 59.237 -32047 6492.4 -38540 -38540 -1.6564 -2.4195 -0.081414 78993 2024-05-17 00:14:21,332 INFO [main.py:798]
{rank 0/64} MD step = 45400 step time: 00:00:00.347458 Performance: 41.247 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 00:14:28,572 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45400 9080 59.741 -32021 6547.7 -38568 -38568 -1.6603 -2.4237 -0.082062 79157 2024-05-17 00:15:02,915 INFO [main.py:798]
{rank 0/64} MD step = 45500 step time: 00:00:00.340556 Performance: 41.248 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 00:15:07,984 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45500 9100 59.959 -31743 6571.6 -38315 -38315 -1.6623 -2.4299 -0.082543 79377 2024-05-17 00:15:43,178 INFO [main.py:798]
{rank 0/64} MD step = 45600 step time: 00:00:00.357899 Performance: 41.251 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 00:15:49,219 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 59.904 -31917 6565.5 -38483 -38483 -1.6683 -2.4363 -0.081109 79553 2024-05-17 00:16:23,705 INFO [main.py:798]
{rank 0/64} MD step = 45700 step time: 00:00:00.358329 Performance: 41.254 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 00:16:29,259 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 60.839 -31748 6668 -38416 -38416 -1.6721 -2.4411 -0.080766 79722 2024-05-17 00:17:03,941 INFO [main.py:798]
{rank 0/64} MD step = 45800 step time: 00:00:00.355668 Performance: 41.258 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 00:17:11,533 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45800 9160 60.245 -31780 6602.9 -38383 -38383 -1.6769 -2.4464 -0.080462 79902 2024-05-17 00:17:46,706 INFO [main.py:798]
{rank 0/64} MD step = 45900 step time: 00:00:00.383425 Performance: 41.256 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 00:17:54,311 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45900 9180 60.207 -31941 6598.7 -38540 -38540 -1.6811 -2.4525 -0.080776 80055 2024-05-17 00:18:28,861 INFO [main.py:798]
{rank 0/64} MD step = 46000 step time: 00:00:00.338664 Performance: 41.255 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 00:18:34,707 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46000 9200 59.713 -31897 6544.6 -38442 -38442 -1.6855 -2.4576 -0.080652 80235 2024-05-17 00:19:08,603 INFO [main.py:798]
{rank 0/64} MD step = 46100 step time: 00:00:00.337275 Performance: 41.260 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 00:19:15,691 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46100 9220 60.351 -31839 6614.5 -38454 -38454 -1.6899 -2.4647 -0.0801 80402 2024-05-17 00:19:51,522 INFO [main.py:798]
{rank 0/64} MD step = 46200 step time: 00:00:00.327093 Performance: 41.258 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 00:20:00,222 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46200 9240 60.059 -31843 6582.5 -38425 -38425 -1.6925 -2.4697 -0.0799 80596 2024-05-17 00:20:35,297 INFO [main.py:798]
{rank 0/64} MD step = 46300 step time: 00:00:00.326633 Performance: 41.254 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 00:20:42,612 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46300 9260 59.211 -31936 6489.6 -38425 -38425 -1.6966 -2.4752 -0.080081 80752 2024-05-17 00:21:19,288 INFO [main.py:798]
{rank 0/64} MD step = 46400 step time: 00:00:00.329587 Performance: 41.249 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 00:21:27,185 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46400 9280 59.757 -31908 6549.4 -38457 -38457 -1.7019 -2.48 -0.079983 80932 2024-05-17 00:22:01,260 INFO [main.py:798]
{rank 0/64} MD step = 46500 step time: 00:00:00.325856 Performance: 41.249 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 00:22:07,598 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46500 9300 59.388 -31972 6509 -38481 -38481 -1.706 -2.4852 -0.077947 81069 2024-05-17 00:22:42,803 INFO [main.py:798]
{rank 0/64} MD step = 46600 step time: 00:00:00.337400 Performance: 41.250 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 00:22:47,769 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46600 9320 59.96 -31831 6571.7 -38403 -38403 -1.7086 -2.4899 -0.076195 81252 2024-05-17 00:23:24,360 INFO [main.py:798]
{rank 0/64} MD step = 46700 step time: 00:00:00.330875 Performance: 41.251 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 00:23:30,102 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46700 9340 59.106 -32056 6478 -38534 -38534 -1.7122 -2.4961 -0.07558 81431 2024-05-17 00:24:05,544 INFO [main.py:798]
{rank 0/64} MD step = 46800 step time: 00:00:00.333198 Performance: 41.252 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 00:24:11,332 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 60.978 -31908 6683.3 -38591 -38591 -1.7152 -2.5023 -0.075223 81603 2024-05-17 00:24:46,045 INFO [main.py:798]
{rank 0/64} MD step = 46900 step time: 00:00:00.331698 Performance: 41.255 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 00:24:56,430 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46900 9380 59.335 -31980 6503.2 -38483 -38483 -1.7179 -2.5075 -0.075052 81788 2024-05-17 00:25:31,340 INFO [main.py:798]
{rank 0/64} MD step = 47000 step time: 00:00:00.328118 Performance: 41.248 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 00:25:36,795 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 60.554 -31815 6636.8 -38451 -38451 -1.7194 -2.5136 -0.075461 82001 2024-05-17 00:26:12,087 INFO [main.py:798]
{rank 0/64} MD step = 47100 step time: 00:00:00.336352 Performance: 41.250 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 00:26:18,643 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47100 9420 59.844 -31902 6559 -38461 -38461 -1.7234 -2.5199 -0.074976 82153 2024-05-17 00:26:52,752 INFO [main.py:798]
{rank 0/64} MD step = 47200 step time: 00:00:00.331301 Performance: 41.253 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 00:26:57,563 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 60.06 -31976 6582.6 -38559 -38559 -1.7294 -2.5266 -0.075661 82308 2024-05-17 00:27:32,634 INFO [main.py:798]
{rank 0/64} MD step = 47300 step time: 00:00:00.336222 Performance: 41.257 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 00:27:39,066 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47300 9460 59.259 -31872 6494.9 -38367 -38367 -1.7337 -2.5321 -0.077381 82516 2024-05-17 00:28:14,203 INFO [main.py:798]
{rank 0/64} MD step = 47400 step time: 00:00:00.339892 Performance: 41.258 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 00:28:20,553 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47400 9480 59.764 -31875 6550.2 -38425 -38425 -1.7387 -2.5382 -0.077662 82704 2024-05-17 00:28:55,152 INFO [main.py:798]
{rank 0/64} MD step = 47500 step time: 00:00:00.331436 Performance: 41.260 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 00:29:03,066 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47500 9500 60.015 -32008 6577.7 -38586 -38586 -1.7425 -2.544 -0.076709 82853 2024-05-17 00:29:37,439 INFO [main.py:798]
{rank 0/64} MD step = 47600 step time: 00:00:00.347730 Performance: 41.259 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 00:29:43,539 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47600 9520 60.545 -32009 6635.8 -38645 -38645 -1.7457 -2.55 -0.076271 83048 2024-05-17 00:30:19,665 INFO [main.py:798]
{rank 0/64} MD step = 47700 step time: 00:00:00.343459 Performance: 41.258 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 00:30:23,756 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47700 9540 60.058 -31975 6582.4 -38558 -38558 -1.7486 -2.5553 -0.077509 83240 2024-05-17 00:31:00,645 INFO [main.py:798]
{rank 0/64} MD step = 47800 step time: 00:00:00.328625 Performance: 41.260 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 00:31:06,547 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47800 9560 60.438 -31949 6624.1 -38573 -38573 -1.7521 -2.5606 -0.077319 83396 2024-05-17 00:31:40,704 INFO [main.py:798]
{rank 0/64} MD step = 47900 step time: 00:00:00.331701 Performance: 41.264 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 00:31:46,310 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47900 9580 60.262 -32030 6604.8 -38634 -38634 -1.7548 -2.5667 -0.076942 83531 2024-05-17 00:32:21,603 INFO [main.py:798]
{rank 0/64} MD step = 48000 step time: 00:00:00.339656 Performance: 41.266 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 00:32:29,502 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 59.394 -32027 6509.7 -38537 -38537 -1.7592 -2.5711 -0.076795 83731 2024-05-17 00:33:04,594 INFO [main.py:798]
{rank 0/64} MD step = 48100 step time: 00:00:00.364535 Performance: 41.263 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 00:33:13,296 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48100 9620 60.336 -31879 6612.9 -38492 -38492 -1.7624 -2.5762 -0.075776 83890 2024-05-17 00:33:48,286 INFO [main.py:798]
{rank 0/64} MD step = 48200 step time: 00:00:00.353023 Performance: 41.260 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 00:33:55,207 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48200 9640 60.526 -31883 6633.7 -38517 -38517 -1.7648 -2.5803 -0.075233 84070 2024-05-17 00:34:32,003 INFO [main.py:798]
{rank 0/64} MD step = 48300 step time: 00:00:00.343390 Performance: 41.256 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 00:34:57,057 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48300 9660 59.602 -31985 6532.4 -38517 -38517 -1.7698 -2.5865 -0.074404 84251 2024-05-17 00:35:32,244 INFO [main.py:798]
{rank 0/64} MD step = 48400 step time: 00:00:00.343135 Performance: 41.219 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-17 00:35:38,634 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48400 9680 60.203 -31895 6598.3 -38493 -38493 -1.7739 -2.5927 -0.074609 84425 2024-05-17 00:36:15,067 INFO [main.py:798]
{rank 0/64} MD step = 48500 step time: 00:00:00.368009 Performance: 41.217 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-17 00:36:20,734 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48500 9700 59.651 -31957 6537.8 -38495 -38495 -1.7791 -2.5988 -0.073604 84586 2024-05-17 00:36:54,451 INFO [main.py:798]
{rank 0/64} MD step = 48600 step time: 00:00:00.335058 Performance: 41.222 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 00:37:03,087 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48600 9720 60.293 -31852 6608.2 -38461 -38461 -1.7841 -2.6033 -0.071928 84756 2024-05-17 00:37:39,743 INFO [main.py:798]
{rank 0/64} MD step = 48700 step time: 00:00:00.365189 Performance: 41.215 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-17 00:37:44,469 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48700 9740 59.655 -32054 6538.2 -38592 -38592 -1.7874 -2.6083 -0.072414 84900 2024-05-17 00:38:18,912 INFO [main.py:798]
{rank 0/64} MD step = 48800 step time: 00:00:00.343213 Performance: 41.221 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-17 00:38:26,166 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48800 9760 60.222 -32038 6600.4 -38638 -38638 -1.7905 -2.6144 -0.070747 85076 2024-05-17 00:39:01,553 INFO [main.py:798]
{rank 0/64} MD step = 48900 step time: 00:00:00.336686 Performance: 41.219 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-17 00:39:08,910 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48900 9780 60.754 -31936 6658.7 -38594 -38594 -1.7935 -2.6187 -0.071509 85263 2024-05-17 00:39:45,049 INFO [main.py:798]
{rank 0/64} MD step = 49000 step time: 00:00:00.359713 Performance: 41.216 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-17 00:39:50,839 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49000 9800 59.262 -32137 6495.2 -38633 -38633 -1.7946 -2.6243 -0.07089 85416 2024-05-17 00:40:25,276 INFO [main.py:798]
{rank 0/64} MD step = 49100 step time: 00:00:00.353235 Performance: 41.219 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-17 00:40:30,406 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49100 9820 60.404 -31836 6620.3 -38456 -38456 -1.7981 -2.6307 -0.070156 85634 2024-05-17 00:41:06,394 INFO [main.py:798]
{rank 0/64} MD step = 49200 step time: 00:00:00.377678 Performance: 41.221 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-17 00:41:10,942 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 59.838 -32004 6558.3 -38562 -38562 -1.8022 -2.6372 -0.069642 85799 2024-05-17 00:41:46,592 INFO [main.py:798]
{rank 0/64} MD step = 49300 step time: 00:00:00.368470 Performance: 41.224 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 00:41:52,406 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 60.007 -31988 6576.8 -38565 -38565 -1.8066 -2.6434 -0.068947 85965 2024-05-17 00:42:27,137 INFO [main.py:798]
{rank 0/64} MD step = 49400 step time: 00:00:00.352575 Performance: 41.227 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 00:42:36,521 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49400 9880 60.199 -31927 6597.9 -38525 -38525 -1.8099 -2.6499 -0.069347 86180 2024-05-17 00:43:11,365 INFO [main.py:798]
{rank 0/64} MD step = 49500 step time: 00:00:00.360719 Performance: 41.223 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 00:43:18,333 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49500 9900 59.303 -31974 6499.7 -38474 -38474 -1.8121 -2.6555 -0.068799 86370 2024-05-17 00:43:53,512 INFO [main.py:798]
{rank 0/64} MD step = 49600 step time: 00:00:00.357207 Performance: 41.222 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 00:43:59,739 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49600 9920 59.565 -31938 6528.4 -38466 -38466 -1.8164 -2.6615 -0.068099 86541 2024-05-17 00:44:35,628 INFO [main.py:798]
{rank 0/64} MD step = 49700 step time: 00:00:00.356506 Performance: 41.222 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 00:44:39,871 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49700 9940 59.65 -31982 6537.7 -38520 -38520 -1.8197 -2.6671 -0.06809 86722 2024-05-17 00:45:14,991 INFO [main.py:798]
{rank 0/64} MD step = 49800 step time: 00:00:00.343902 Performance: 41.227 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 00:45:21,396 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49800 9960 59.946 -31982 6570.2 -38552 -38552 -1.8267 -2.6717 -0.068947 86876 2024-05-17 00:45:55,081 INFO [main.py:798]
{rank 0/64} MD step = 49900 step time: 00:00:00.335943 Performance: 41.230 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 00:46:00,820 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49900 9980 61.214 -31695 6709.1 -38404 -38404 -1.8308 -2.6774 -0.069928 87093 2024-05-17 00:46:37,717 INFO [main.py:798]
{rank 0/64} MD step = 50000 step time: 00:00:00.347394 Performance: 41.229 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 00:46:42,809 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 50000 10000 60.229 -31852 6601.2 -38454 -38454 -1.8333 -2.6833 -0.068747 87244 2024-05-17 00:47:17,606 INFO [main.py:798]
{rank 0/64} MD step = 50100 step time: 00:00:00.353022 Performance: 41.233 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 00:47:25,666 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 60.122 -32028 6589.4 -38617 -38617 -1.8379 -2.6885 -0.068213 87358 2024-05-17 00:48:00,428 INFO [main.py:798]
{rank 0/64} MD step = 50200 step time: 00:00:00.351115 Performance: 41.231 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 00:48:06,593 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 50200 10040 59.886 -32071 6563.6 -38634 -38634 -1.8421 -2.6937 -0.066851 87542 2024-05-17 00:48:41,997 INFO [main.py:798]
{rank 0/64} MD step = 50300 step time: 00:00:00.374878 Performance: 41.232 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 00:48:47,118 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 50300 10060 60.109 -31981 6588 -38569 -38569 -1.8466 -2.6998 -0.066832 87754 2024-05-17 00:49:21,969 INFO [main.py:798]
{rank 0/64} MD step = 50400 step time: 00:00:00.355873 Performance: 41.236 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 00:49:28,447 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 50400 10080 60.912 -31780 6676 -38456 -38456 -1.8496 -2.7043 -0.066289 87955 2024-05-17 00:50:03,981 INFO [main.py:798]
{rank 0/64} MD step = 50500 step time: 00:00:00.376862 Performance: 41.235 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 00:50:10,522 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 60.183 -31973 6596.1 -38569 -38569 -1.8533 -2.7094 -0.067242 88108 2024-05-17 00:50:46,970 INFO [main.py:798]
{rank 0/64} MD step = 50600 step time: 00:00:00.372563 Performance: 41.233 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 00:50:54,930 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 59.532 -32069 6524.8 -38594 -38594 -1.8568 -2.7157 -0.066989 88276 2024-05-17 00:51:29,576 INFO [main.py:798]
{rank 0/64} MD step = 50700 step time: 00:00:00.371667 Performance: 41.232 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 00:51:35,807 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 50700 10140 59.333 -32134 6503 -38637 -38637 -1.8592 -2.7199 -0.067537 88443 2024-05-17 00:52:10,187 INFO [main.py:798]
{rank 0/64} MD step = 50800 step time: 00:00:00.354380 Performance: 41.234 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 00:52:16,297 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 50800 10160 59.645 -31918 6537.2 -38455 -38455 -1.8625 -2.7266 -0.068394 88652 2024-05-17 00:52:50,926 INFO [main.py:798]
{rank 0/64} MD step = 50900 step time: 00:00:00.348271 Performance: 41.237 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 00:52:57,652 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 50900 10180 60.248 -31944 6603.2 -38547 -38547 -1.8647 -2.7336 -0.069604 88793 2024-05-17 00:53:31,478 INFO [main.py:798]
{rank 0/64} MD step = 51000 step time: 00:00:00.356623 Performance: 41.239 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 00:53:35,341 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 60.72 -31822 6655 -38477 -38477 -1.868 -2.7389 -0.068947 88990 2024-05-17 00:54:10,533 INFO [main.py:798]
{rank 0/64} MD step = 51100 step time: 00:00:00.341237 Performance: 41.245 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 00:54:15,846 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 60.107 -31825 6587.8 -38413 -38413 -1.8723 -2.7426 -0.068794 89150 2024-05-17 00:54:50,728 INFO [main.py:798]
{rank 0/64} MD step = 51200 step time: 00:00:00.353066 Performance: 41.248 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 00:54:58,925 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51200 10240 60.211 -31970 6599.2 -38570 -38570 -1.8766 -2.7476 -0.068061 89297 2024-05-17 00:55:33,335 INFO [main.py:798]
{rank 0/64} MD step = 51300 step time: 00:00:00.335982 Performance: 41.247 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 00:55:37,782 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51300 10260 59.321 -31980 6501.7 -38481 -38481 -1.8794 -2.7547 -0.068604 89494 2024-05-17 00:56:14,244 INFO [main.py:798]
{rank 0/64} MD step = 51400 step time: 00:00:00.354153 Performance: 41.249 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 00:56:19,859 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51400 10280 59.93 -31974 6568.4 -38542 -38542 -1.8827 -2.7588 -0.068118 89677 2024-05-17 00:56:53,978 INFO [main.py:798]
{rank 0/64} MD step = 51500 step time: 00:00:00.340072 Performance: 41.253 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 00:56:58,277 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51500 10300 58.738 -32045 6437.7 -38483 -38483 -1.884 -2.7653 -0.066899 89870 2024-05-17 00:57:35,589 INFO [main.py:798]
{rank 0/64} MD step = 51600 step time: 00:00:00.342415 Performance: 41.253 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 00:57:40,479 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51600 10320 60.556 -31793 6637 -38430 -38430 -1.886 -2.7709 -0.066223 90029 2024-05-17 00:58:15,497 INFO [main.py:798]
{rank 0/64} MD step = 51700 step time: 00:00:00.361360 Performance: 41.257 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 00:58:21,380 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51700 10340 59.564 -32017 6528.3 -38546 -38546 -1.889 -2.7757 -0.06528 90185 2024-05-17 00:58:55,527 INFO [main.py:798]
{rank 0/64} MD step = 51800 step time: 00:00:00.336181 Performance: 41.260 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 00:59:00,897 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 59.846 -31840 6559.1 -38399 -38399 -1.8911 -2.7802 -0.064099 90394 2024-05-17 00:59:34,707 INFO [main.py:798]
{rank 0/64} MD step = 51900 step time: 00:00:00.360043 Performance: 41.266 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 00:59:40,620 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51900 10380 59.567 -31868 6528.6 -38397 -38397 -1.8929 -2.7844 -0.063737 90617 2024-05-17 01:00:15,568 INFO [main.py:798]
{rank 0/64} MD step = 52000 step time: 00:00:00.359862 Performance: 41.268 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 01:00:23,951 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 59.541 -31987 6525.8 -38513 -38513 -1.8948 -2.7902 -0.06267 90769 2024-05-17 01:00:59,776 INFO [main.py:798]
{rank 0/64} MD step = 52100 step time: 00:00:00.353837 Performance: 41.263 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 01:01:06,311 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52100 10420 60.735 -31825 6656.6 -38482 -38482 -1.8954 -2.7949 -0.062632 90927 2024-05-17 01:01:42,208 INFO [main.py:798]
{rank 0/64} MD step = 52200 step time: 00:00:00.343489 Performance: 41.262 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 01:01:49,062 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52200 10440 59.639 -31906 6536.5 -38442 -38442 -1.8996 -2.8005 -0.062432 91134 2024-05-17 01:02:23,331 INFO [main.py:798]
{rank 0/64} MD step = 52300 step time: 00:00:00.352567 Performance: 41.264 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 01:02:28,904 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52300 10460 59.75 -31962 6548.7 -38511 -38511 -1.9037 -2.8065 -0.061346 91265 2024-05-17 01:03:03,431 INFO [main.py:798]
{rank 0/64} MD step = 52400 step time: 00:00:00.352350 Performance: 41.267 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 01:03:09,291 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52400 10480 60.559 -31852 6637.3 -38489 -38489 -1.9081 -2.8117 -0.062651 91455 2024-05-17 01:03:43,856 INFO [main.py:798]
{rank 0/64} MD step = 52500 step time: 00:00:00.338061 Performance: 41.270 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 01:03:49,717 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52500 10500 60.493 -31807 6630.1 -38438 -38438 -1.9123 -2.8173 -0.062137 91635 2024-05-17 01:04:23,950 INFO [main.py:798]
{rank 0/64} MD step = 52600 step time: 00:00:00.328935 Performance: 41.273 ns/day 0.581 hours/ns 2.388 steps/s 2024-05-17 01:04:29,310 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52600 10520 59.116 -31967 6479.1 -38446 -38446 -1.9158 -2.8227 -0.061975 91816 2024-05-17 01:05:03,854 INFO [main.py:798]
{rank 0/64} MD step = 52700 step time: 00:00:00.338335 Performance: 41.277 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 01:05:10,764 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52700 10540 59.842 -31988 6558.8 -38546 -38546 -1.9193 -2.8291 -0.061051 91999 2024-05-17 01:05:46,988 INFO [main.py:798]
{rank 0/64} MD step = 52800 step time: 00:00:00.330716 Performance: 41.274 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 01:05:52,144 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52800 10560 60.352 -31807 6614.6 -38422 -38422 -1.9222 -2.8352 -0.060175 92196 2024-05-17 01:06:25,818 INFO [main.py:798]
{rank 0/64} MD step = 52900 step time: 00:00:00.334735 Performance: 41.280 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 01:06:32,069 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 59.669 -31858 6539.8 -38398 -38398 -1.9255 -2.8393 -0.060175 92389 2024-05-17 01:07:06,905 INFO [main.py:798]
{rank 0/64} MD step = 53000 step time: 00:00:00.333648 Performance: 41.281 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 01:07:13,909 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53000 10600 60.516 -31793 6632.7 -38425 -38425 -1.929 -2.8436 -0.05947 92539 2024-05-17 01:07:47,870 INFO [main.py:798]
{rank 0/64} MD step = 53100 step time: 00:00:00.332588 Performance: 41.283 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 01:07:54,865 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53100 10620 59.939 -31932 6569.4 -38502 -38502 -1.9327 -2.85 -0.059994 92691 2024-05-17 01:08:30,069 INFO [main.py:798]
{rank 0/64} MD step = 53200 step time: 00:00:00.327314 Performance: 41.282 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 01:08:39,362 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53200 10640 59.015 -31935 6468.1 -38403 -38403 -1.9369 -2.8554 -0.059013 92865 2024-05-17 01:09:16,234 INFO [main.py:798]
{rank 0/64} MD step = 53300 step time: 00:00:00.342826 Performance: 41.274 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 01:09:24,935 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53300 10660 60.197 -31935 6597.6 -38533 -38533 -1.9397 -2.8614 -0.059594 93024 2024-05-17 01:09:59,713 INFO [main.py:798]
{rank 0/64} MD step = 53400 step time: 00:00:00.337974 Performance: 41.271 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 01:10:05,244 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53400 10680 60.072 -31891 6584 -38475 -38475 -1.9427 -2.8661 -0.057946 93207 2024-05-17 01:10:39,685 INFO [main.py:798]
{rank 0/64} MD step = 53500 step time: 00:00:00.329957 Performance: 41.275 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 01:10:46,579 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53500 10700 59.508 -31965 6522.1 -38487 -38487 -1.946 -2.8738 -0.057984 93387 2024-05-17 01:11:21,934 INFO [main.py:798]
{rank 0/64} MD step = 53600 step time: 00:00:00.351649 Performance: 41.274 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 01:11:28,184 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 61.007 -31763 6686.4 -38450 -38450 -1.9493 -2.8797 -0.058594 93562 2024-05-17 01:12:03,026 INFO [main.py:798]
{rank 0/64} MD step = 53700 step time: 00:00:00.395214 Performance: 41.276 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 01:12:08,622 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53700 10740 60.125 -31941 6589.8 -38531 -38531 -1.9545 -2.8848 -0.05888 93754 2024-05-17 01:12:43,429 INFO [main.py:798]
{rank 0/64} MD step = 53800 step time: 00:00:00.328231 Performance: 41.278 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 01:12:49,818 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53800 10760 60.201 -31910 6598.1 -38509 -38509 -1.9582 -2.8892 -0.057689 93923 2024-05-17 01:13:23,641 INFO [main.py:798]
{rank 0/64} MD step = 53900 step time: 00:00:00.334454 Performance: 41.281 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 01:13:28,826 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 59.979 -31897 6573.8 -38471 -38471 -1.9623 -2.8954 -0.055965 94116 2024-05-17 01:14:04,322 INFO [main.py:798]
{rank 0/64} MD step = 54000 step time: 00:00:00.332481 Performance: 41.283 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 01:14:11,684 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54000 10800 60.506 -31867 6631.5 -38498 -38498 -1.9675 -2.9008 -0.056041 94303 2024-05-17 01:14:45,921 INFO [main.py:798]
{rank 0/64} MD step = 54100 step time: 00:00:00.329131 Performance: 41.284 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 01:14:58,360 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54100 10820 59.659 -32011 6538.7 -38550 -38550 -1.9713 -2.9067 -0.055146 94465 2024-05-17 01:15:33,397 INFO [main.py:798]
{rank 0/64} MD step = 54200 step time: 00:00:00.364568 Performance: 41.274 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 01:15:41,125 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54200 10840 60.028 -31926 6579.2 -38505 -38505 -1.9753 -2.9113 -0.053908 94648 2024-05-17 01:16:15,314 INFO [main.py:798]
{rank 0/64} MD step = 54300 step time: 00:00:00.359632 Performance: 41.274 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 01:16:21,598 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54300 10860 60.217 -31793 6599.9 -38393 -38393 -1.9778 -2.9177 -0.054079 94828 2024-05-17 01:16:57,903 INFO [main.py:798]
{rank 0/64} MD step = 54400 step time: 00:00:00.344999 Performance: 41.272 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 01:17:03,961 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 60.089 -31815 6585.8 -38401 -38401 -1.9837 -2.924 -0.054113 95017 2024-05-17 01:17:39,242 INFO [main.py:798]
{rank 0/64} MD step = 54500 step time: 00:00:00.373534 Performance: 41.273 ns/day 0.581 hours/ns 2.388 steps/s 2024-05-17 01:17:43,967 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54500 10900 59.906 -31989 6565.7 -38555 -38555 -1.986 -2.9288 -0.054336 95182 2024-05-17 01:18:19,135 INFO [main.py:798]
{rank 0/64} MD step = 54600 step time: 00:00:00.353596 Performance: 41.277 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 01:18:26,552 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 59.328 -31935 6502.5 -38438 -38438 -1.9894 -2.934 -0.053308 95368 2024-05-17 01:19:00,990 INFO [main.py:798]
{rank 0/64} MD step = 54700 step time: 00:00:00.356761 Performance: 41.277 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 01:19:09,829 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54700 10940 59.442 -32007 6514.9 -38522 -38522 -1.994 -2.9395 -0.054422 95535 2024-05-17 01:19:45,141 INFO [main.py:798]
{rank 0/64} MD step = 54800 step time: 00:00:00.350386 Performance: 41.273 ns/day 0.581 hours/ns 2.388 steps/s 2024-05-17 01:19:50,057 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54800 10960 60.42 -31738 6622.1 -38360 -38360 -1.9974 -2.9458 -0.053374 95729 2024-05-17 01:20:26,371 INFO [main.py:798]
{rank 0/64} MD step = 54900 step time: 00:00:00.355216 Performance: 41.274 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 01:20:31,772 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54900 10980 59.448 -31993 6515.6 -38508 -38508 -2 -2.9526 -0.053794 95892 2024-05-17 01:21:07,151 INFO [main.py:798]
{rank 0/64} MD step = 55000 step time: 00:00:00.346442 Performance: 41.276 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 01:21:13,599 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55000 11000 59.562 -32051 6528.1 -38579 -38579 -2.0023 -2.9582 -0.052555 96065 2024-05-17 01:21:48,219 INFO [main.py:798]
{rank 0/64} MD step = 55100 step time: 00:00:00.355743 Performance: 41.277 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 01:21:56,332 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55100 11020 59.435 -31963 6514.1 -38477 -38477 -2.0061 -2.9637 -0.053413 96217 2024-05-17 01:22:33,554 INFO [main.py:798]
{rank 0/64} MD step = 55200 step time: 00:00:00.350490 Performance: 41.271 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 01:22:44,089 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55200 11040 59.628 -31932 6535.3 -38467 -38467 -2.009 -2.969 -0.05307 96411 2024-05-17 01:23:18,594 INFO [main.py:798]
{rank 0/64} MD step = 55300 step time: 00:00:00.361500 Performance: 41.265 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 01:23:24,015 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55300 11060 59.598 -32053 6532.1 -38585 -38585 -2.0131 -2.9759 -0.051698 96565 2024-05-17 01:23:59,565 INFO [main.py:798]
{rank 0/64} MD step = 55400 step time: 00:00:00.346942 Performance: 41.267 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 01:24:05,124 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55400 11080 60.19 -31809 6596.9 -38406 -38406 -2.018 -2.9813 -0.05147 96763 2024-05-17 01:24:39,635 INFO [main.py:798]
{rank 0/64} MD step = 55500 step time: 00:00:00.356312 Performance: 41.270 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 01:24:46,973 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55500 11100 59.999 -31832 6576 -38408 -38408 -2.0213 -2.9867 -0.051108 96935 2024-05-17 01:25:22,287 INFO [main.py:798]
{rank 0/64} MD step = 55600 step time: 00:00:00.374695 Performance: 41.269 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 01:25:28,990 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55600 11120 60.348 -31727 6614.2 -38342 -38342 -2.0237 -2.9922 -0.048593 97132 2024-05-17 01:26:03,677 INFO [main.py:798]
{rank 0/64} MD step = 55700 step time: 00:00:00.345641 Performance: 41.270 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 01:26:11,135 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55700 11140 59.366 -32015 6506.6 -38521 -38521 -2.0276 -2.9985 -0.047355 97281 2024-05-17 01:26:45,370 INFO [main.py:798]
{rank 0/64} MD step = 55800 step time: 00:00:00.346067 Performance: 41.270 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 01:26:55,324 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55800 11160 59.865 -31875 6561.3 -38437 -38437 -2.031 -3.0032 -0.046707 97449 2024-05-17 01:27:29,761 INFO [main.py:798]
{rank 0/64} MD step = 55900 step time: 00:00:00.341930 Performance: 41.266 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 01:27:38,262 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55900 11180 60.479 -31876 6628.5 -38504 -38504 -2.0359 -3.0095 -0.044917 97639 2024-05-17 01:28:13,669 INFO [main.py:798]
{rank 0/64} MD step = 56000 step time: 00:00:00.348986 Performance: 41.262 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 01:28:19,847 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56000 11200 60.815 -31898 6665.4 -38564 -38564 -2.0404 -3.015 -0.042936 97820 2024-05-17 01:28:54,658 INFO [main.py:798]
{rank 0/64} MD step = 56100 step time: 00:00:00.356096 Performance: 41.264 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 01:28:59,420 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 59.393 -31790 6509.6 -38299 -38299 -2.0447 -3.0212 -0.042193 98015 2024-05-17 01:29:35,272 INFO [main.py:798]
{rank 0/64} MD step = 56200 step time: 00:00:00.351993 Performance: 41.266 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 01:29:42,985 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56200 11240 60.155 -31847 6593.1 -38440 -38440 -2.0487 -3.0272 -0.041655 98133 2024-05-17 01:30:17,988 INFO [main.py:798]
{rank 0/64} MD step = 56300 step time: 00:00:00.349255 Performance: 41.264 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 01:30:24,028 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56300 11260 59.536 -32041 6525.2 -38566 -38566 -2.0523 -3.0334 -0.042212 98264 2024-05-17 01:31:00,481 INFO [main.py:798]
{rank 0/64} MD step = 56400 step time: 00:00:00.369628 Performance: 41.263 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 01:31:07,429 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56400 11280 59.974 -31861 6573.2 -38434 -38434 -2.0555 -3.0401 -0.043202 98441 2024-05-17 01:31:42,109 INFO [main.py:798]
{rank 0/64} MD step = 56500 step time: 00:00:00.356613 Performance: 41.264 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 01:31:47,677 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56500 11300 59.296 -32104 6498.9 -38603 -38603 -2.0587 -3.0455 -0.043926 98590 2024-05-17 01:32:22,131 INFO [main.py:798]
{rank 0/64} MD step = 56600 step time: 00:00:00.343397 Performance: 41.267 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 01:32:35,928 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56600 11320 59.486 -31970 6519.7 -38489 -38489 -2.0627 -3.0498 -0.042364 98795 2024-05-17 01:33:11,211 INFO [main.py:798]
{rank 0/64} MD step = 56700 step time: 00:00:00.380461 Performance: 41.254 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 01:33:19,551 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56700 11340 59.901 -31855 6565.2 -38420 -38420 -2.0668 -3.0557 -0.04125 98986 2024-05-17 01:33:53,453 INFO [main.py:798]
{rank 0/64} MD step = 56800 step time: 00:00:00.343329 Performance: 41.254 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 01:34:00,865 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56800 11360 59.605 -32041 6532.8 -38574 -38574 -2.0692 -3.0601 -0.03985 99149 2024-05-17 01:34:38,507 INFO [main.py:798]
{rank 0/64} MD step = 56900 step time: 00:00:00.338189 Performance: 41.248 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 01:34:56,641 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56900 11380 60.578 -31887 6639.4 -38526 -38526 -2.0735 -3.0677 -0.03944 99335 2024-05-17 01:35:31,816 INFO [main.py:798]
{rank 0/64} MD step = 57000 step time: 00:00:00.362662 Performance: 41.229 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 01:35:37,008 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 59.777 -31909 6551.6 -38461 -38461 -2.0768 -3.0731 -0.039621 99512 2024-05-17 01:36:15,029 INFO [main.py:798]
{rank 0/64} MD step = 57100 step time: 00:00:00.345253 Performance: 41.226 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 01:36:20,275 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 60.237 -31745 6602.1 -38347 -38347 -2.0792 -3.0788 -0.039431 99696 2024-05-17 01:36:55,647 INFO [main.py:798]
{rank 0/64} MD step = 57200 step time: 00:00:00.342254 Performance: 41.229 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 01:37:01,416 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 57200 11440 59.97 -31808 6572.7 -38380 -38380 -2.0807 -3.0843 -0.038721 99899 2024-05-17 01:37:35,924 INFO [main.py:798]
{rank 0/64} MD step = 57300 step time: 00:00:00.352109 Performance: 41.231 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 01:37:43,553 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 57300 11460 59.546 -32107 6526.3 -38634 -38634 -2.0838 -3.0889 -0.037269 1.0005e+05 2024-05-17 01:38:18,389 INFO [main.py:798]
{rank 0/64} MD step = 57400 step time: 00:00:00.350656 Performance: 41.230 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 01:38:23,855 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 57400 11480 60.384 -31733 6618.2 -38351 -38351 -2.0884 -3.0947 -0.036126 1.0024e+05 2024-05-17 01:38:58,780 INFO [main.py:798]
{rank 0/64} MD step = 57500 step time: 00:00:00.338722 Performance: 41.233 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 01:39:04,416 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 60.16 -31806 6593.6 -38400 -38400 -2.0914 -3.0999 -0.036021 1.0039e+05 2024-05-17 01:39:40,156 INFO [main.py:798]
{rank 0/64} MD step = 57600 step time: 00:00:00.370720 Performance: 41.234 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 01:39:45,379 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 60.562 -31886 6637.6 -38524 -38524 -2.0941 -3.1051 -0.035221 1.0055e+05 2024-05-17 01:40:20,281 INFO [main.py:798]
{rank 0/64} MD step = 57700 step time: 00:00:00.346751 Performance: 41.237 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 01:40:25,862 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 61.163 -31780 6703.5 -38484 -38484 -2.0977 -3.1101 -0.035259 1.0071e+05 2024-05-17 01:41:01,330 INFO [main.py:798]
{rank 0/64} MD step = 57800 step time: 00:00:00.332089 Performance: 41.238 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 01:41:08,501 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 57800 11560 59.825 -31824 6556.9 -38381 -38381 -2.1019 -3.1155 -0.036169 1.0088e+05 2024-05-17 01:41:42,989 INFO [main.py:798]
{rank 0/64} MD step = 57900 step time: 00:00:00.347593 Performance: 41.239 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 01:41:51,115 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 57900 11580 59.7 -31844 6543.1 -38388 -38388 -2.1054 -3.121 -0.037974 1.0104e+05 2024-05-17 01:42:25,766 INFO [main.py:798]
{rank 0/64} MD step = 58000 step time: 00:00:00.342732 Performance: 41.237 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 01:42:35,013 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 60.372 -31762 6616.8 -38379 -38379 -2.1088 -3.1251 -0.036916 1.0124e+05 2024-05-17 01:43:09,382 INFO [main.py:798]
{rank 0/64} MD step = 58100 step time: 00:00:00.333137 Performance: 41.234 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 01:43:16,305 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58100 11620 59.721 -31924 6545.5 -38469 -38469 -2.1119 -3.1306 -0.035621 1.0145e+05 2024-05-17 01:43:50,735 INFO [main.py:798]
{rank 0/64} MD step = 58200 step time: 00:00:00.332676 Performance: 41.235 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 01:43:59,176 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58200 11640 58.881 -31945 6453.4 -38399 -38399 -2.1159 -3.1369 -0.035154 1.0164e+05 2024-05-17 01:44:33,706 INFO [main.py:798]
{rank 0/64} MD step = 58300 step time: 00:00:00.357648 Performance: 41.234 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 01:44:39,604 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58300 11660 59.209 -31889 6489.4 -38378 -38378 -2.1196 -3.1419 -0.033945 1.0181e+05 2024-05-17 01:45:13,406 INFO [main.py:798]
{rank 0/64} MD step = 58400 step time: 00:00:00.349340 Performance: 41.237 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 01:45:19,594 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58400 11680 59.888 -31755 6563.8 -38319 -38319 -2.1235 -3.147 -0.034002 1.0197e+05 2024-05-17 01:45:55,624 INFO [main.py:798]
{rank 0/64} MD step = 58500 step time: 00:00:00.355188 Performance: 41.237 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 01:46:01,267 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58500 11700 60.404 -31769 6620.3 -38389 -38389 -2.128 -3.1521 -0.033402 1.0215e+05 2024-05-17 01:46:35,293 INFO [main.py:798]
{rank 0/64} MD step = 58600 step time: 00:00:00.329622 Performance: 41.240 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 01:46:39,832 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58600 11720 59.478 -31910 6518.9 -38429 -38429 -2.1322 -3.1574 -0.030945 1.0233e+05 2024-05-17 01:47:16,778 INFO [main.py:798]
{rank 0/64} MD step = 58700 step time: 00:00:00.353782 Performance: 41.241 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 01:47:22,895 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58700 11740 58.737 -31956 6437.7 -38394 -38394 -2.1346 -3.163 -0.030306 1.0247e+05 2024-05-17 01:47:58,647 INFO [main.py:798]
{rank 0/64} MD step = 58800 step time: 00:00:00.337382 Performance: 41.241 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 01:48:05,506 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 58.805 -31959 6445.1 -38404 -38404 -2.1363 -3.1679 -0.029135 1.0265e+05 2024-05-17 01:48:41,313 INFO [main.py:798]
{rank 0/64} MD step = 58900 step time: 00:00:00.327599 Performance: 41.240 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 01:48:46,875 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 59.865 -31788 6561.3 -38350 -38350 -2.1409 -3.1737 -0.027906 1.0283e+05 2024-05-17 01:49:22,283 INFO [main.py:798]
{rank 0/64} MD step = 59000 step time: 00:00:00.331774 Performance: 41.242 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 01:49:28,784 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 59.93 -31825 6568.4 -38394 -38394 -2.1443 -3.1788 -0.028078 1.03e+05 2024-05-17 01:50:03,691 INFO [main.py:798]
{rank 0/64} MD step = 59100 step time: 00:00:00.333551 Performance: 41.242 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 01:50:08,776 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 59100 11820 59.391 -31712 6509.3 -38221 -38221 -2.1471 -3.1826 -0.027659 1.032e+05 2024-05-17 01:50:45,384 INFO [main.py:798]
{rank 0/64} MD step = 59200 step time: 00:00:00.327013 Performance: 41.243 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 01:50:53,691 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 59.359 -31942 6505.8 -38447 -38447 -2.1506 -3.1888 -0.025763 1.0334e+05 2024-05-17 01:51:29,057 INFO [main.py:798]
{rank 0/64} MD step = 59300 step time: 00:00:00.328996 Performance: 41.240 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 01:51:37,058 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 61.081 -31746 6694.5 -38441 -38441 -2.1553 -3.1944 -0.023754 1.0353e+05 2024-05-17 01:52:13,178 INFO [main.py:798]
{rank 0/64} MD step = 59400 step time: 00:00:00.335948 Performance: 41.236 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 01:52:21,198 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 59400 11880 60.507 -31774 6631.6 -38406 -38406 -2.1591 -3.2 -0.023554 1.0372e+05 2024-05-17 01:52:55,483 INFO [main.py:798]
{rank 0/64} MD step = 59500 step time: 00:00:00.335885 Performance: 41.235 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 01:53:01,474 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 59500 11900 61.091 -31713 6695.7 -38409 -38409 -2.1623 -3.2061 -0.023658 1.0392e+05 2024-05-17 01:53:36,272 INFO [main.py:798]
{rank 0/64} MD step = 59600 step time: 00:00:00.330776 Performance: 41.237 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 01:53:41,496 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 59600 11920 60.073 -31805 6584.1 -38389 -38389 -2.1648 -3.2112 -0.024192 1.0407e+05 2024-05-17 01:54:16,074 INFO [main.py:798]
{rank 0/64} MD step = 59700 step time: 00:00:00.328268 Performance: 41.241 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 01:54:22,686 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 59700 11940 59.697 -31873 6542.9 -38416 -38416 -2.1686 -3.2167 -0.02282 1.0425e+05 2024-05-17 01:54:57,942 INFO [main.py:798]
{rank 0/64} MD step = 59800 step time: 00:00:00.341681 Performance: 41.241 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 01:55:07,204 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 58.846 -31904 6449.6 -38354 -38354 -2.1711 -3.2219 -0.020735 1.0443e+05 2024-05-17 01:55:41,636 INFO [main.py:798]
{rank 0/64} MD step = 59900 step time: 00:00:00.347664 Performance: 41.238 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 01:55:46,677 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 59900 11980 60.124 -31998 6589.7 -38588 -38588 -2.1752 -3.228 -0.019811 1.0457e+05 2024-05-17 01:56:22,939 INFO [main.py:798]
{rank 0/64} MD step = 60000 step time: 00:00:00.349338 Performance: 41.239 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 01:56:28,838 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60000 12000 60.112 -31889 6588.4 -38477 -38477 -2.1787 -3.2345 -0.018849 1.0474e+05 2024-05-17 01:57:05,433 INFO [main.py:798]
{rank 0/64} MD step = 60100 step time: 00:00:00.356455 Performance: 41.238 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 01:57:11,141 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60100 12020 60.815 -31692 6665.4 -38357 -38357 -2.1805 -3.2406 -0.018096 1.0493e+05 2024-05-17 01:57:45,602 INFO [main.py:798]
{rank 0/64} MD step = 60200 step time: 00:00:00.343705 Performance: 41.241 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 01:57:53,516 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60200 12040 60.339 -31874 6613.2 -38487 -38487 -2.1834 -3.2458 -0.015944 1.0509e+05 2024-05-17 01:58:27,515 INFO [main.py:798]
{rank 0/64} MD step = 60300 step time: 00:00:00.355177 Performance: 41.241 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 01:58:36,167 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60300 12060 59.648 -31910 6537.5 -38448 -38448 -2.1873 -3.2507 -0.015068 1.0527e+05 2024-05-17 01:59:10,760 INFO [main.py:798]
{rank 0/64} MD step = 60400 step time: 00:00:00.345390 Performance: 41.238 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 01:59:20,135 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 59.735 -31983 6547 -38530 -38530 -2.189 -3.2548 -0.014667 1.0543e+05 2024-05-17 01:59:55,235 INFO [main.py:798]
{rank 0/64} MD step = 60500 step time: 00:00:00.357777 Performance: 41.234 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 02:00:00,640 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60500 12100 59.952 -31989 6570.8 -38560 -38560 -2.1935 -3.2589 -0.014267 1.0558e+05 2024-05-17 02:00:35,720 INFO [main.py:798]
{rank 0/64} MD step = 60600 step time: 00:00:00.336874 Performance: 41.237 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 02:00:42,231 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 59.891 -31803 6564.2 -38367 -38367 -2.1973 -3.2657 -0.015144 1.0578e+05 2024-05-17 02:01:16,686 INFO [main.py:798]
{rank 0/64} MD step = 60700 step time: 00:00:00.371970 Performance: 41.238 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 02:01:21,241 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60700 12140 60.125 -31926 6589.8 -38516 -38516 -2.2022 -3.271 -0.015087 1.059e+05 2024-05-17 02:01:57,000 INFO [main.py:798]
{rank 0/64} MD step = 60800 step time: 00:00:00.354008 Performance: 41.241 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:02:03,685 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60800 12160 59.679 -31923 6540.9 -38463 -38463 -2.2079 -3.2755 -0.014877 1.0611e+05 2024-05-17 02:02:37,669 INFO [main.py:798]
{rank 0/64} MD step = 60900 step time: 00:00:00.343601 Performance: 41.243 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:02:43,100 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60900 12180 59.639 -31920 6536.5 -38456 -38456 -2.2129 -3.2816 -0.015296 1.0631e+05 2024-05-17 02:03:19,452 INFO [main.py:798]
{rank 0/64} MD step = 61000 step time: 00:00:00.339257 Performance: 41.243 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:03:25,166 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61000 12200 60.139 -31857 6591.3 -38449 -38449 -2.2155 -3.2878 -0.015582 1.0647e+05 2024-05-17 02:03:59,740 INFO [main.py:798]
{rank 0/64} MD step = 61100 step time: 00:00:00.349518 Performance: 41.245 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:04:06,073 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61100 12220 60.27 -31847 6605.7 -38453 -38453 -2.2195 -3.2935 -0.01562 1.0667e+05 2024-05-17 02:04:40,425 INFO [main.py:798]
{rank 0/64} MD step = 61200 step time: 00:00:00.348456 Performance: 41.247 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:04:46,326 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61200 12240 60.81 -31746 6664.9 -38411 -38411 -2.2224 -3.2999 -0.013553 1.0682e+05 2024-05-17 02:05:20,971 INFO [main.py:798]
{rank 0/64} MD step = 61300 step time: 00:00:00.343069 Performance: 41.250 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:05:31,645 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 60.029 -31885 6579.2 -38464 -38464 -2.2274 -3.3043 -0.012077 1.0699e+05 2024-05-17 02:06:06,269 INFO [main.py:798]
{rank 0/64} MD step = 61400 step time: 00:00:00.378874 Performance: 41.244 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:06:12,861 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61400 12280 59.234 -31981 6492.2 -38473 -38473 -2.2317 -3.3089 -0.011924 1.0716e+05 2024-05-17 02:06:48,961 INFO [main.py:798]
{rank 0/64} MD step = 61500 step time: 00:00:00.355772 Performance: 41.243 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:06:56,015 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 59.685 -32024 6541.5 -38566 -38566 -2.2362 -3.3158 -0.01192 1.0733e+05 2024-05-17 02:07:31,427 INFO [main.py:798]
{rank 0/64} MD step = 61600 step time: 00:00:00.345343 Performance: 41.242 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:07:37,818 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61600 12320 59.499 -32023 6521.2 -38544 -38544 -2.2405 -3.3213 -0.012534 1.075e+05 2024-05-17 02:08:11,853 INFO [main.py:798]
{rank 0/64} MD step = 61700 step time: 00:00:00.358848 Performance: 41.244 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:08:19,273 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 59.681 -31986 6541.1 -38527 -38527 -2.2446 -3.3262 -0.012896 1.0767e+05 2024-05-17 02:08:56,258 INFO [main.py:798]
{rank 0/64} MD step = 61800 step time: 00:00:00.371116 Performance: 41.240 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:09:02,773 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 60.587 -31983 6640.4 -38623 -38623 -2.2479 -3.332 -0.011972 1.0781e+05 2024-05-17 02:09:37,314 INFO [main.py:798]
{rank 0/64} MD step = 61900 step time: 00:00:00.340422 Performance: 41.242 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:09:44,383 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 60.039 -31949 6580.3 -38530 -38530 -2.2515 -3.3373 -0.011715 1.0802e+05 2024-05-17 02:10:19,138 INFO [main.py:798]
{rank 0/64} MD step = 62000 step time: 00:00:00.372494 Performance: 41.242 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:10:27,071 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 60.553 -31938 6636.7 -38575 -38575 -2.2551 -3.3426 -0.010305 1.0817e+05 2024-05-17 02:11:01,490 INFO [main.py:798]
{rank 0/64} MD step = 62100 step time: 00:00:00.351435 Performance: 41.241 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:11:06,371 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 61.353 -31707 6724.3 -38431 -38431 -2.258 -3.3488 -0.0097005 1.0837e+05 2024-05-17 02:11:41,934 INFO [main.py:798]
{rank 0/64} MD step = 62200 step time: 00:00:00.340070 Performance: 41.243 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:11:49,107 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 62200 12440 59.555 -32037 6527.3 -38564 -38564 -2.2609 -3.3531 -0.0079433 1.0855e+05 2024-05-17 02:12:23,708 INFO [main.py:798]
{rank 0/64} MD step = 62300 step time: 00:00:00.342496 Performance: 41.243 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:12:33,102 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 62300 12460 59.227 -31936 6491.3 -38427 -38427 -2.2617 -3.3581 -0.0064004 1.0875e+05 2024-05-17 02:13:07,228 INFO [main.py:798]
{rank 0/64} MD step = 62400 step time: 00:00:00.349138 Performance: 41.241 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:13:11,686 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 62400 12480 60.281 -32087 6606.9 -38694 -38694 -2.2645 -3.3643 -0.0048479 1.0888e+05 2024-05-17 02:13:48,583 INFO [main.py:798]
{rank 0/64} MD step = 62500 step time: 00:00:00.338758 Performance: 41.242 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:13:54,653 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 59.617 -32038 6534.1 -38572 -38572 -2.2683 -3.3695 -0.0028764 1.0909e+05 2024-05-17 02:14:29,142 INFO [main.py:798]
{rank 0/64} MD step = 62600 step time: 00:00:00.347932 Performance: 41.244 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:14:34,694 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 62600 12520 60.118 -31836 6589 -38425 -38425 -2.2721 -3.3761 -0.002724 1.093e+05 2024-05-17 02:15:08,515 INFO [main.py:798]
{rank 0/64} MD step = 62700 step time: 00:00:00.343589 Performance: 41.248 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:15:15,044 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 60.321 -31865 6611.3 -38476 -38476 -2.2765 -3.3814 -0.0018287 1.0947e+05 2024-05-17 02:15:49,763 INFO [main.py:798]
{rank 0/64} MD step = 62800 step time: 00:00:00.341254 Performance: 41.249 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:15:54,873 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 61.371 -31791 6726.3 -38517 -38517 -2.2813 -3.3868 -0.0019525 1.0965e+05 2024-05-17 02:16:29,385 INFO [main.py:798]
{rank 0/64} MD step = 62900 step time: 00:00:00.350985 Performance: 41.252 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:16:35,618 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 59.356 -32069 6505.4 -38575 -38575 -2.2842 -3.3918 -0.001181 1.0984e+05 2024-05-17 02:17:12,292 INFO [main.py:798]
{rank 0/64} MD step = 63000 step time: 00:00:00.336711 Performance: 41.251 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:17:18,662 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63000 12600 59.703 -31904 6543.5 -38448 -38448 -2.2866 -3.3976 -0.0011191 1.1004e+05 2024-05-17 02:17:52,470 INFO [main.py:798]
{rank 0/64} MD step = 63100 step time: 00:00:00.327605 Performance: 41.254 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:18:00,541 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63100 12620 60.225 -31800 6600.8 -38400 -38400 -2.2898 -3.4023 -0.001362 1.1022e+05 2024-05-17 02:18:34,461 INFO [main.py:798]
{rank 0/64} MD step = 63200 step time: 00:00:00.334575 Performance: 41.253 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:18:41,474 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 58.935 -31945 6459.3 -38405 -38405 -2.2944 -3.4099 -0.0012191 1.1041e+05 2024-05-17 02:19:17,881 INFO [main.py:798]
{rank 0/64} MD step = 63300 step time: 00:00:00.333087 Performance: 41.251 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:19:24,596 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 60.284 -31817 6607.2 -38424 -38424 -2.2968 -3.4142 -0.0017525 1.1056e+05 2024-05-17 02:19:59,535 INFO [main.py:798]
{rank 0/64} MD step = 63400 step time: 00:00:00.344385 Performance: 41.251 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:20:05,751 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 59.42 -32070 6512.6 -38583 -38583 -2.3013 -3.4203 0.00024287 1.1074e+05 2024-05-17 02:20:40,048 INFO [main.py:798]
{rank 0/64} MD step = 63500 step time: 00:00:00.358167 Performance: 41.253 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:20:45,676 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 60.011 -31959 6577.3 -38536 -38536 -2.3046 -3.4261 0.0014572 1.1094e+05 2024-05-17 02:21:20,187 INFO [main.py:798]
{rank 0/64} MD step = 63600 step time: 00:00:00.334820 Performance: 41.256 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 02:21:27,742 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63600 12720 59.929 -32025 6568.3 -38593 -38593 -2.3071 -3.4319 0.0023811 1.1109e+05 2024-05-17 02:22:02,326 INFO [main.py:798]
{rank 0/64} MD step = 63700 step time: 00:00:00.349238 Performance: 41.256 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:22:07,584 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63700 12740 60.293 -31964 6608.2 -38572 -38572 -2.3098 -3.4378 0.0045479 1.113e+05 2024-05-17 02:22:42,697 INFO [main.py:798]
{rank 0/64} MD step = 63800 step time: 00:00:00.379020 Performance: 41.258 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 02:22:51,415 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63800 12760 60 -31835 6576.1 -38411 -38411 -2.3145 -3.4419 0.0059051 1.1149e+05 2024-05-17 02:23:27,472 INFO [main.py:798]
{rank 0/64} MD step = 63900 step time: 00:00:00.347449 Performance: 41.254 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:23:33,955 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63900 12780 60.063 -31802 6583 -38385 -38385 -2.3193 -3.4459 0.0057146 1.1167e+05 2024-05-17 02:24:08,788 INFO [main.py:798]
{rank 0/64} MD step = 64000 step time: 00:00:00.327275 Performance: 41.255 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:24:17,292 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64000 12800 60.14 -31915 6591.4 -38506 -38506 -2.3233 -3.4514 0.0050955 1.1181e+05 2024-05-17 02:24:51,960 INFO [main.py:798]
{rank 0/64} MD step = 64100 step time: 00:00:00.334637 Performance: 41.253 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:24:56,794 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64100 12820 59.823 -31891 6556.7 -38447 -38447 -2.3279 -3.4577 0.0036954 1.1202e+05 2024-05-17 02:25:32,028 INFO [main.py:798]
{rank 0/64} MD step = 64200 step time: 00:00:00.333605 Performance: 41.255 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:25:37,821 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64200 12840 60.047 -31853 6581.2 -38434 -38434 -2.3324 -3.4641 0.0033526 1.122e+05 2024-05-17 02:26:12,113 INFO [main.py:798]
{rank 0/64} MD step = 64300 step time: 00:00:00.329075 Performance: 41.258 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 02:26:17,387 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64300 12860 60.021 -32027 6578.4 -38606 -38606 -2.3366 -3.4704 0.0043717 1.1234e+05 2024-05-17 02:27:19,134 INFO [main.py:798]
{rank 0/64} MD step = 64400 step time: 00:00:00.338337 Performance: 41.220 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-17 02:27:26,185 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64400 12880 59.702 -32036 6543.5 -38580 -38580 -2.3409 -3.4756 0.0052003 1.1252e+05 2024-05-17 02:28:01,159 INFO [main.py:798]
{rank 0/64} MD step = 64500 step time: 00:00:00.339189 Performance: 41.220 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-17 02:28:09,509 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64500 12900 61.018 -31947 6687.6 -38635 -38635 -2.3442 -3.4804 0.0060956 1.1268e+05 2024-05-17 02:28:44,073 INFO [main.py:798]
{rank 0/64} MD step = 64600 step time: 00:00:00.358079 Performance: 41.218 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-17 02:28:54,584 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64600 12920 60.419 -31840 6622 -38462 -38462 -2.3481 -3.487 0.0081338 1.129e+05 2024-05-17 02:29:29,177 INFO [main.py:798]
{rank 0/64} MD step = 64700 step time: 00:00:00.356654 Performance: 41.213 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-17 02:29:37,200 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64700 12940 59.385 -31951 6508.7 -38460 -38460 -2.3513 -3.4936 0.0093577 1.1311e+05 2024-05-17 02:30:12,653 INFO [main.py:798]
{rank 0/64} MD step = 64800 step time: 00:00:00.347952 Performance: 41.211 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-17 02:30:19,070 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64800 12960 60.698 -31814 6652.6 -38467 -38467 -2.3553 -3.4997 0.011429 1.1324e+05 2024-05-17 02:30:56,389 INFO [main.py:798]
{rank 0/64} MD step = 64900 step time: 00:00:00.347087 Performance: 41.208 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-17 02:31:01,920 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64900 12980 60.963 -31804 6681.6 -38486 -38486 -2.3593 -3.5059 0.011386 1.1342e+05 2024-05-17 02:31:37,306 INFO [main.py:798]
{rank 0/64} MD step = 65000 step time: 00:00:00.367648 Performance: 41.210 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-17 02:31:43,002 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 65000 13000 59.82 -31828 6556.4 -38384 -38384 -2.3614 -3.5116 0.011172 1.136e+05 2024-05-17 02:32:17,235 INFO [main.py:798]
{rank 0/64} MD step = 65100 step time: 00:00:00.353140 Performance: 41.213 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-17 02:32:24,521 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 59.98 -31813 6573.9 -38387 -38387 -2.3654 -3.5178 0.01181 1.1377e+05 2024-05-17 02:33:00,678 INFO [main.py:798]
{rank 0/64} MD step = 65200 step time: 00:00:00.348922 Performance: 41.210 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-17 02:33:04,935 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 65200 13040 59.603 -31910 6532.5 -38443 -38443 -2.37 -3.5239 0.012601 1.1397e+05 2024-05-17 02:33:40,171 INFO [main.py:798]
{rank 0/64} MD step = 65300 step time: 00:00:00.341692 Performance: 41.214 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-17 02:33:46,447 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 60.117 -31802 6588.9 -38391 -38391 -2.3741 -3.5292 0.012744 1.1413e+05 2024-05-17 02:34:21,114 INFO [main.py:798]
{rank 0/64} MD step = 65400 step time: 00:00:00.342411 Performance: 41.216 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-17 02:34:27,108 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 65400 13080 59.532 -31860 6524.8 -38384 -38384 -2.3774 -3.5339 0.013372 1.1428e+05 2024-05-17 02:35:01,714 INFO [main.py:798]
{rank 0/64} MD step = 65500 step time: 00:00:00.348250 Performance: 41.218 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-17 02:35:06,726 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 65500 13100 60.737 -31687 6656.8 -38343 -38343 -2.3802 -3.5412 0.013753 1.1448e+05 2024-05-17 02:35:42,072 INFO [main.py:798]
{rank 0/64} MD step = 65600 step time: 00:00:00.348391 Performance: 41.220 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-17 02:35:47,983 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 65600 13120 60.138 -31812 6591.2 -38403 -38403 -2.3826 -3.5486 0.014325 1.1463e+05 2024-05-17 02:36:22,405 INFO [main.py:798]
{rank 0/64} MD step = 65700 step time: 00:00:00.354582 Performance: 41.222 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 02:36:32,325 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 61.028 -31852 6688.8 -38540 -38540 -2.3868 -3.5542 0.015696 1.148e+05 2024-05-17 02:37:06,710 INFO [main.py:798]
{rank 0/64} MD step = 65800 step time: 00:00:00.357686 Performance: 41.219 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-17 02:37:13,320 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 65800 13160 60.095 -31874 6586.5 -38460 -38460 -2.3894 -3.5602 0.016306 1.1496e+05 2024-05-17 02:37:47,679 INFO [main.py:798]
{rank 0/64} MD step = 65900 step time: 00:00:00.349159 Performance: 41.220 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-17 02:37:54,173 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 60.264 -32055 6605 -38660 -38660 -2.3919 -3.5669 0.017315 1.1515e+05 2024-05-17 02:38:30,097 INFO [main.py:798]
{rank 0/64} MD step = 66000 step time: 00:00:00.351390 Performance: 41.219 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-17 02:38:35,964 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66000 13200 60.7 -31794 6652.8 -38447 -38447 -2.3956 -3.5747 0.018249 1.1534e+05 2024-05-17 02:39:10,662 INFO [main.py:798]
{rank 0/64} MD step = 66100 step time: 00:00:00.367180 Performance: 41.221 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-17 02:39:23,186 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66100 13220 59.969 -31997 6572.7 -38569 -38569 -2.4009 -3.5817 0.019944 1.1551e+05 2024-05-17 02:39:57,746 INFO [main.py:798]
{rank 0/64} MD step = 66200 step time: 00:00:00.353481 Performance: 41.214 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-17 02:40:03,501 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66200 13240 59.196 -32172 6488 -38660 -38660 -2.4057 -3.5883 0.020449 1.1567e+05 2024-05-17 02:40:38,033 INFO [main.py:798]
{rank 0/64} MD step = 66300 step time: 00:00:00.354975 Performance: 41.216 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-17 02:40:44,505 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66300 13260 60.761 -31878 6659.5 -38538 -38538 -2.4088 -3.5927 0.020287 1.1585e+05 2024-05-17 02:41:19,638 INFO [main.py:798]
{rank 0/64} MD step = 66400 step time: 00:00:00.356817 Performance: 41.217 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-17 02:41:25,120 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66400 13280 60.479 -31761 6628.6 -38389 -38389 -2.4134 -3.5985 0.020592 1.1606e+05 2024-05-17 02:41:59,213 INFO [main.py:798]
{rank 0/64} MD step = 66500 step time: 00:00:00.352976 Performance: 41.220 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-17 02:42:05,219 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66500 13300 59.987 -31927 6574.7 -38502 -38502 -2.4167 -3.6032 0.02202 1.1624e+05 2024-05-17 02:42:41,502 INFO [main.py:798]
{rank 0/64} MD step = 66600 step time: 00:00:00.368669 Performance: 41.220 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-17 02:42:47,135 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66600 13320 60.517 -31849 6632.7 -38482 -38482 -2.4215 -3.6084 0.023887 1.1641e+05 2024-05-17 02:43:22,371 INFO [main.py:798]
{rank 0/64} MD step = 66700 step time: 00:00:00.356477 Performance: 41.221 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-17 02:43:27,739 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 60.166 -31750 6594.3 -38344 -38344 -2.4234 -3.6131 0.025459 1.1661e+05 2024-05-17 02:44:02,272 INFO [main.py:798]
{rank 0/64} MD step = 66800 step time: 00:00:00.351797 Performance: 41.224 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 02:44:08,209 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66800 13360 60.551 -31814 6636.5 -38450 -38450 -2.4275 -3.6188 0.026802 1.1679e+05 2024-05-17 02:44:42,998 INFO [main.py:798]
{rank 0/64} MD step = 66900 step time: 00:00:00.339708 Performance: 41.226 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 02:44:51,610 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66900 13380 60.039 -31887 6580.4 -38467 -38467 -2.4309 -3.6227 0.02724 1.1692e+05 2024-05-17 02:45:26,327 INFO [main.py:798]
{rank 0/64} MD step = 67000 step time: 00:00:00.345977 Performance: 41.224 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 02:45:32,949 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 59.451 -31962 6515.9 -38478 -38478 -2.4355 -3.6282 0.028716 1.1711e+05 2024-05-17 02:46:07,445 INFO [main.py:798]
{rank 0/64} MD step = 67100 step time: 00:00:00.338418 Performance: 41.225 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 02:46:13,183 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 67100 13420 60.423 -31883 6622.4 -38505 -38505 -2.4395 -3.6322 0.02903 1.1728e+05 2024-05-17 02:46:47,646 INFO [main.py:798]
{rank 0/64} MD step = 67200 step time: 00:00:00.353008 Performance: 41.227 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 02:46:52,992 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 67200 13440 59.44 -31879 6514.7 -38393 -38393 -2.4432 -3.638 0.029587 1.1749e+05 2024-05-17 02:47:27,832 INFO [main.py:798]
{rank 0/64} MD step = 67300 step time: 00:00:00.337191 Performance: 41.230 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 02:47:32,964 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 58.63 -32000 6425.9 -38426 -38426 -2.4471 -3.6427 0.030602 1.1769e+05 2024-05-17 02:48:07,824 INFO [main.py:798]
{rank 0/64} MD step = 67400 step time: 00:00:00.359308 Performance: 41.233 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 02:48:13,764 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 60.123 -31913 6589.5 -38503 -38503 -2.4511 -3.6477 0.032278 1.1784e+05 2024-05-17 02:48:49,108 INFO [main.py:798]
{rank 0/64} MD step = 67500 step time: 00:00:00.344125 Performance: 41.234 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 02:48:54,873 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 59.969 -32003 6572.7 -38576 -38576 -2.4546 -3.6532 0.032526 1.1798e+05 2024-05-17 02:49:30,935 INFO [main.py:798]
{rank 0/64} MD step = 67600 step time: 00:00:00.346279 Performance: 41.234 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 02:49:36,359 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 67600 13520 60.361 -31873 6615.6 -38488 -38488 -2.4579 -3.659 0.034545 1.1816e+05 2024-05-17 02:50:11,237 INFO [main.py:798]
{rank 0/64} MD step = 67700 step time: 00:00:00.356378 Performance: 41.236 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 02:50:16,138 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 67700 13540 60.004 -31824 6576.6 -38400 -38400 -2.4628 -3.6642 0.03484 1.1833e+05 2024-05-17 02:50:50,389 INFO [main.py:798]
{rank 0/64} MD step = 67800 step time: 00:00:00.338550 Performance: 41.240 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:50:57,869 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 67800 13560 58.396 -32137 6400.2 -38537 -38537 -2.4673 -3.6685 0.034192 1.1849e+05 2024-05-17 02:51:32,279 INFO [main.py:798]
{rank 0/64} MD step = 67900 step time: 00:00:00.348132 Performance: 41.240 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:51:39,839 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 67900 13580 60.574 -31877 6639 -38516 -38516 -2.4715 -3.6745 0.032402 1.1867e+05 2024-05-17 02:52:14,188 INFO [main.py:798]
{rank 0/64} MD step = 68000 step time: 00:00:00.367562 Performance: 41.240 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:52:20,096 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68000 13600 60.246 -31893 6603.1 -38496 -38496 -2.4739 -3.6801 0.032135 1.1886e+05 2024-05-17 02:52:54,583 INFO [main.py:798]
{rank 0/64} MD step = 68100 step time: 00:00:00.346913 Performance: 41.242 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:53:00,545 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68100 13620 59.717 -31807 6545.1 -38352 -38352 -2.4778 -3.6857 0.030864 1.1907e+05 2024-05-17 02:53:35,251 INFO [main.py:798]
{rank 0/64} MD step = 68200 step time: 00:00:00.339979 Performance: 41.244 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:53:41,366 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 60.35 -31831 6614.5 -38446 -38446 -2.482 -3.6912 0.028364 1.1919e+05 2024-05-17 02:54:16,074 INFO [main.py:798]
{rank 0/64} MD step = 68300 step time: 00:00:00.355518 Performance: 41.246 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:54:21,586 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68300 13660 59.76 -31930 6549.8 -38480 -38480 -2.4845 -3.6971 0.02783 1.1938e+05 2024-05-17 02:54:56,491 INFO [main.py:798]
{rank 0/64} MD step = 68400 step time: 00:00:00.351823 Performance: 41.248 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:55:02,910 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 59.638 -31899 6536.4 -38436 -38436 -2.4888 -3.7034 0.026711 1.1954e+05 2024-05-17 02:55:37,819 INFO [main.py:798]
{rank 0/64} MD step = 68500 step time: 00:00:00.344793 Performance: 41.249 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:55:43,824 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68500 13700 59.889 -31898 6564 -38462 -38462 -2.4921 -3.7083 0.026078 1.197e+05 2024-05-17 02:56:17,608 INFO [main.py:798]
{rank 0/64} MD step = 68600 step time: 00:00:00.343600 Performance: 41.252 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:56:22,021 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68600 13720 59.379 -31988 6508.1 -38496 -38496 -2.4961 -3.7139 0.027783 1.1988e+05 2024-05-17 02:56:57,834 INFO [main.py:798]
{rank 0/64} MD step = 68700 step time: 00:00:00.355321 Performance: 41.254 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:57:03,374 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 59.898 -31838 6564.9 -38403 -38403 -2.4992 -3.7195 0.029125 1.2008e+05 2024-05-17 02:57:38,081 INFO [main.py:798]
{rank 0/64} MD step = 68800 step time: 00:00:00.353267 Performance: 41.256 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 02:57:47,157 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68800 13760 60.782 -31610 6661.8 -38272 -38272 -2.5036 -3.7256 0.031973 1.2027e+05 2024-05-17 02:58:22,616 INFO [main.py:798]
{rank 0/64} MD step = 68900 step time: 00:00:00.374290 Performance: 41.253 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:58:29,202 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68900 13780 60.43 -31689 6623.2 -38312 -38312 -2.5064 -3.7304 0.032849 1.2045e+05 2024-05-17 02:59:04,540 INFO [main.py:798]
{rank 0/64} MD step = 69000 step time: 00:00:00.345364 Performance: 41.252 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:59:12,762 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69000 13800 60.71 -31842 6653.9 -38496 -38496 -2.5096 -3.7352 0.032626 1.206e+05 2024-05-17 02:59:47,496 INFO [main.py:798]
{rank 0/64} MD step = 69100 step time: 00:00:00.375546 Performance: 41.251 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 02:59:53,577 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 60.342 -31817 6613.6 -38430 -38430 -2.5132 -3.7393 0.033602 1.2076e+05 2024-05-17 03:00:29,402 INFO [main.py:798]
{rank 0/64} MD step = 69200 step time: 00:00:00.336366 Performance: 41.251 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 03:00:35,760 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69200 13840 59.867 -31974 6561.5 -38536 -38536 -2.5164 -3.7453 0.03183 1.2094e+05 2024-05-17 03:01:10,309 INFO [main.py:798]
{rank 0/64} MD step = 69300 step time: 00:00:00.348544 Performance: 41.252 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 03:01:15,943 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 60.609 -31887 6642.8 -38530 -38530 -2.5197 -3.7504 0.032049 1.2112e+05 2024-05-17 03:01:50,513 INFO [main.py:798]
{rank 0/64} MD step = 69400 step time: 00:00:00.355516 Performance: 41.255 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 03:01:55,712 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69400 13880 59.468 -32089 6517.8 -38606 -38606 -2.5233 -3.7559 0.031164 1.2128e+05 2024-05-17 03:02:33,043 INFO [main.py:798]
{rank 0/64} MD step = 69500 step time: 00:00:00.375418 Performance: 41.254 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 03:02:38,746 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69500 13900 60.517 -31897 6632.7 -38530 -38530 -2.5258 -3.763 0.031316 1.2144e+05 2024-05-17 03:03:13,087 INFO [main.py:798]
{rank 0/64} MD step = 69600 step time: 00:00:00.350751 Performance: 41.256 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 03:03:19,717 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69600 13920 59.42 -31938 6512.5 -38450 -38450 -2.5302 -3.769 0.032211 1.2163e+05 2024-05-17 03:03:55,191 INFO [main.py:798]
{rank 0/64} MD step = 69700 step time: 00:00:00.351062 Performance: 41.256 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 03:04:03,280 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69700 13940 59.262 -31948 6495.2 -38443 -38443 -2.5333 -3.7743 0.032821 1.2177e+05 2024-05-17 03:04:37,864 INFO [main.py:798]
{rank 0/64} MD step = 69800 step time: 00:00:00.346397 Performance: 41.255 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 03:04:43,787 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69800 13960 59.682 -32001 6541.2 -38542 -38542 -2.5374 -3.7808 0.034211 1.2194e+05 2024-05-17 03:05:18,334 INFO [main.py:798]
{rank 0/64} MD step = 69900 step time: 00:00:00.407821 Performance: 41.257 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 03:05:25,198 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69900 13980 59.679 -32090 6540.9 -38631 -38631 -2.5399 -3.7863 0.034859 1.221e+05 2024-05-17 03:05:59,477 INFO [main.py:798]
{rank 0/64} MD step = 70000 step time: 00:00:00.343625 Performance: 41.258 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 03:06:05,298 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70000 14000 59.82 -31951 6556.3 -38507 -38507 -2.5435 -3.7918 0.035869 1.2229e+05 2024-05-17 03:06:39,518 INFO [main.py:798]
{rank 0/64} MD step = 70100 step time: 00:00:00.346991 Performance: 41.261 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 03:06:45,688 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70100 14020 60.027 -32017 6579.1 -38596 -38596 -2.5488 -3.7976 0.036573 1.2246e+05 2024-05-17 03:07:21,876 INFO [main.py:798]
{rank 0/64} MD step = 70200 step time: 00:00:00.362015 Performance: 41.260 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 03:07:28,778 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70200 14040 60.075 -31913 6584.3 -38497 -38497 -2.5517 -3.8029 0.039236 1.2265e+05 2024-05-17 03:08:02,877 INFO [main.py:798]
{rank 0/64} MD step = 70300 step time: 00:00:00.344777 Performance: 41.261 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 03:08:10,916 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70300 14060 59.749 -32025 6548.6 -38573 -38573 -2.556 -3.8101 0.039545 1.2282e+05 2024-05-17 03:08:45,888 INFO [main.py:798]
{rank 0/64} MD step = 70400 step time: 00:00:00.374038 Performance: 41.260 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 03:08:53,726 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70400 14080 60.477 -31855 6628.3 -38483 -38483 -2.5594 -3.8153 0.039259 1.23e+05 2024-05-17 03:09:28,212 INFO [main.py:798]
{rank 0/64} MD step = 70500 step time: 00:00:00.344336 Performance: 41.259 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 03:09:33,290 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 59.449 -31994 6515.6 -38510 -38510 -2.5616 -3.821 0.041626 1.232e+05 2024-05-17 03:10:08,020 INFO [main.py:798]
{rank 0/64} MD step = 70600 step time: 00:00:00.345585 Performance: 41.262 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 03:10:12,483 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70600 14120 59.992 -32008 6575.2 -38583 -38583 -2.5658 -3.8262 0.042326 1.2336e+05 2024-05-17 03:10:49,014 INFO [main.py:798]
{rank 0/64} MD step = 70700 step time: 00:00:00.354650 Performance: 41.263 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 03:10:54,342 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70700 14140 60.291 -31896 6607.9 -38504 -38504 -2.5698 -3.8326 0.043169 1.2355e+05 2024-05-17 03:11:29,010 INFO [main.py:798]
{rank 0/64} MD step = 70800 step time: 00:00:00.350801 Performance: 41.266 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 03:11:33,385 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70800 14160 60.154 -32102 6593 -38695 -38695 -2.5733 -3.8382 0.04345 1.2367e+05 2024-05-17 03:12:09,605 INFO [main.py:798]
{rank 0/64} MD step = 70900 step time: 00:00:00.361062 Performance: 41.268 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 03:12:16,481 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70900 14180 59.231 -32060 6491.8 -38552 -38552 -2.577 -3.8439 0.045679 1.2388e+05 2024-05-17 03:12:51,251 INFO [main.py:798]
{rank 0/64} MD step = 71000 step time: 00:00:00.352961 Performance: 41.268 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 03:12:55,634 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 59.8 -31998 6554.1 -38552 -38552 -2.5819 -3.8489 0.045145 1.2401e+05 2024-05-17 03:13:32,460 INFO [main.py:798]
{rank 0/64} MD step = 71100 step time: 00:00:00.379712 Performance: 41.269 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 03:13:38,371 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71100 14220 60.428 -31953 6623 -38576 -38576 -2.5846 -3.8546 0.045088 1.2416e+05 2024-05-17 03:14:13,335 INFO [main.py:798]
{rank 0/64} MD step = 71200 step time: 00:00:00.356792 Performance: 41.270 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 03:14:20,086 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71200 14240 59.769 -31948 6550.7 -38498 -38498 -2.5892 -3.8613 0.04346 1.2435e+05 2024-05-17 03:14:54,632 INFO [main.py:798]
{rank 0/64} MD step = 71300 step time: 00:00:00.356023 Performance: 41.271 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 03:15:00,343 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71300 14260 59.508 -31905 6522.1 -38427 -38427 -2.5937 -3.8669 0.043974 1.2455e+05 2024-05-17 03:15:34,640 INFO [main.py:798]
{rank 0/64} MD step = 71400 step time: 00:00:00.338757 Performance: 41.273 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 03:15:42,753 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 60.454 -31960 6625.9 -38586 -38586 -2.5962 -3.8732 0.043983 1.2469e+05 2024-05-17 03:16:17,326 INFO [main.py:798]
{rank 0/64} MD step = 71500 step time: 00:00:00.355500 Performance: 41.272 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 03:16:27,679 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 60.6 -31982 6641.8 -38624 -38624 -2.5993 -3.8789 0.04445 1.2486e+05 2024-05-17 03:17:02,308 INFO [main.py:798]
{rank 0/64} MD step = 71600 step time: 00:00:00.352918 Performance: 41.268 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 03:17:08,094 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71600 14320 60.832 -31805 6667.3 -38472 -38472 -2.6021 -3.8861 0.044193 1.2503e+05 2024-05-17 03:17:42,848 INFO [main.py:798]
{rank 0/64} MD step = 71700 step time: 00:00:00.357064 Performance: 41.270 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 03:17:48,155 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 59.446 -31910 6515.3 -38425 -38425 -2.6062 -3.891 0.044879 1.2521e+05 2024-05-17 03:18:22,680 INFO [main.py:798]
{rank 0/64} MD step = 71800 step time: 00:00:00.343988 Performance: 41.273 ns/day 0.581 hours/ns 2.388 steps/s 2024-05-17 03:18:30,286 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71800 14360 59.612 -31942 6533.6 -38475 -38475 -2.6089 -3.8969 0.044783 1.254e+05 2024-05-17 03:19:04,731 INFO [main.py:798]
{rank 0/64} MD step = 71900 step time: 00:00:00.351849 Performance: 41.272 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 03:19:13,313 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71900 14380 60.009 -31933 6577.1 -38511 -38511 -2.6126 -3.904 0.045774 1.2556e+05 2024-05-17 03:19:47,820 INFO [main.py:798]
{rank 0/64} MD step = 72000 step time: 00:00:00.347663 Performance: 41.271 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 03:19:58,979 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 59.687 -31921 6541.8 -38463 -38463 -2.6158 -3.9083 0.047193 1.2573e+05 2024-05-17 03:20:34,885 INFO [main.py:798]
{rank 0/64} MD step = 72100 step time: 00:00:00.346697 Performance: 41.264 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 03:20:42,492 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 60.698 -31931 6652.6 -38583 -38583 -2.6199 -3.9148 0.047222 1.2588e+05 2024-05-17 03:21:20,070 INFO [main.py:798]
{rank 0/64} MD step = 72200 step time: 00:00:00.328686 Performance: 41.259 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 03:21:26,240 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 72200 14440 60.292 -31959 6608.1 -38567 -38567 -2.6233 -3.9224 0.047469 1.2605e+05 2024-05-17 03:22:00,894 INFO [main.py:798]
{rank 0/64} MD step = 72300 step time: 00:00:00.330390 Performance: 41.261 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 03:22:06,353 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 72300 14460 60.74 -31817 6657.2 -38475 -38475 -2.6272 -3.9286 0.046774 1.2621e+05 2024-05-17 03:22:41,200 INFO [main.py:798]
{rank 0/64} MD step = 72400 step time: 00:00:00.354804 Performance: 41.263 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 03:22:47,563 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 72400 14480 60.077 -31752 6584.5 -38336 -38336 -2.6304 -3.9343 0.048517 1.264e+05 2024-05-17 03:23:22,609 INFO [main.py:798]
{rank 0/64} MD step = 72500 step time: 00:00:00.335026 Performance: 41.263 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 03:23:28,043 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 72500 14500 59.435 -31776 6514.1 -38290 -38290 -2.6329 -3.9401 0.047546 1.2662e+05 2024-05-17 03:24:03,459 INFO [main.py:798]
{rank 0/64} MD step = 72600 step time: 00:00:00.357350 Performance: 41.265 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 03:24:10,694 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 72600 14520 60.062 -31804 6582.9 -38387 -38387 -2.6363 -3.9472 0.047955 1.2678e+05 2024-05-17 03:24:46,055 INFO [main.py:798]
{rank 0/64} MD step = 72700 step time: 00:00:00.344198 Performance: 41.264 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 03:24:52,860 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 60.166 -31785 6594.3 -38379 -38379 -2.6409 -3.9535 0.048574 1.2696e+05 2024-05-17 03:25:29,216 INFO [main.py:798]
{rank 0/64} MD step = 72800 step time: 00:00:00.332970 Performance: 41.262 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 03:25:39,196 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 72800 14560 59.875 -31815 6562.4 -38377 -38377 -2.6461 -3.959 0.051508 1.2712e+05 2024-05-17 03:26:13,533 INFO [main.py:798]
{rank 0/64} MD step = 72900 step time: 00:00:00.328345 Performance: 41.259 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 03:26:24,937 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 60.235 -31824 6601.8 -38425 -38425 -2.6506 -3.9648 0.052851 1.2731e+05 2024-05-17 03:26:59,889 INFO [main.py:798]
{rank 0/64} MD step = 73000 step time: 00:00:00.354651 Performance: 41.253 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 03:27:06,808 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 73000 14600 59.608 -31905 6533.1 -38438 -38438 -2.6539 -3.9681 0.053917 1.2748e+05 2024-05-17 03:27:41,803 INFO [main.py:798]
{rank 0/64} MD step = 73100 step time: 00:00:00.343633 Performance: 41.253 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 03:27:50,344 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 73100 14620 60.806 -31687 6664.4 -38351 -38351 -2.6589 -3.9739 0.053108 1.2767e+05 2024-05-17 03:28:25,106 INFO [main.py:798]
{rank 0/64} MD step = 73200 step time: 00:00:00.360724 Performance: 41.251 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 03:28:32,122 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 73200 14640 59.272 -31795 6496.2 -38291 -38291 -2.6643 -3.9803 0.052984 1.2784e+05 2024-05-17 03:29:06,831 INFO [main.py:798]
{rank 0/64} MD step = 73300 step time: 00:00:00.368965 Performance: 41.251 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 03:29:14,701 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 60.57 -31811 6638.6 -38449 -38449 -2.6683 -3.9859 0.05227 1.2802e+05 2024-05-17 03:29:50,412 INFO [main.py:798]
{rank 0/64} MD step = 73400 step time: 00:00:00.352329 Performance: 41.249 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 03:29:56,414 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 59.772 -31942 6551.1 -38493 -38493 -2.6729 -3.9914 0.052612 1.2816e+05 2024-05-17 03:30:32,181 INFO [main.py:798]
{rank 0/64} MD step = 73500 step time: 00:00:00.362243 Performance: 41.249 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 03:30:45,708 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 60.34 -31841 6613.3 -38454 -38454 -2.6766 -3.9977 0.053051 1.2835e+05 2024-05-17 03:31:20,844 INFO [main.py:798]
{rank 0/64} MD step = 73600 step time: 00:00:00.376159 Performance: 41.240 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 03:31:27,248 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 60.317 -31825 6610.8 -38436 -38436 -2.6805 -4.0021 0.053374 1.2854e+05 2024-05-17 03:32:01,728 INFO [main.py:798]
{rank 0/64} MD step = 73700 step time: 00:00:00.359854 Performance: 41.241 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 03:32:07,429 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 59.43 -31960 6513.6 -38474 -38474 -2.6851 -4.0087 0.054689 1.2868e+05 2024-05-17 03:32:43,678 INFO [main.py:798]
{rank 0/64} MD step = 73800 step time: 00:00:00.368733 Performance: 41.241 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 03:32:50,807 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 60.648 -31775 6647.1 -38422 -38422 -2.6881 -4.0145 0.054298 1.2888e+05 2024-05-17 03:33:25,253 INFO [main.py:798]
{rank 0/64} MD step = 73900 step time: 00:00:00.343428 Performance: 41.242 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 03:33:34,879 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 73900 14780 60.008 -31871 6577 -38448 -38448 -2.6911 -4.0204 0.053965 1.2907e+05 2024-05-17 03:34:11,283 INFO [main.py:798]
{rank 0/64} MD step = 74000 step time: 00:00:00.342651 Performance: 41.236 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 03:34:19,619 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 74000 14800 60.015 -31845 6577.7 -38423 -38423 -2.696 -4.0255 0.055575 1.2923e+05 2024-05-17 03:34:53,560 INFO [main.py:798]
{rank 0/64} MD step = 74100 step time: 00:00:00.338680 Performance: 41.236 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 03:34:59,042 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 59.843 -31766 6558.8 -38325 -38325 -2.7004 -4.0313 0.05446 1.2941e+05 2024-05-17 03:35:35,585 INFO [main.py:798]
{rank 0/64} MD step = 74200 step time: 00:00:00.350227 Performance: 41.235 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 03:35:40,896 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 59.924 -32033 6567.7 -38601 -38601 -2.7036 -4.0355 0.054032 1.2955e+05 2024-05-17 03:36:16,839 INFO [main.py:798]
{rank 0/64} MD step = 74300 step time: 00:00:00.381584 Performance: 41.236 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 03:36:22,322 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 60.036 -31901 6580 -38481 -38481 -2.7075 -4.0416 0.054374 1.2972e+05 2024-05-17 03:36:57,606 INFO [main.py:798]
{rank 0/64} MD step = 74400 step time: 00:00:00.348220 Performance: 41.238 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 03:37:04,714 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 74400 14880 60.145 -31936 6591.9 -38528 -38528 -2.7128 -4.0475 0.053393 1.299e+05 2024-05-17 03:37:39,739 INFO [main.py:798]
{rank 0/64} MD step = 74500 step time: 00:00:00.355800 Performance: 41.238 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 03:37:45,246 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 59.905 -31940 6565.7 -38506 -38506 -2.7165 -4.0533 0.05206 1.301e+05 2024-05-17 03:38:19,713 INFO [main.py:798]
{rank 0/64} MD step = 74600 step time: 00:00:00.347939 Performance: 41.240 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 03:38:26,224 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 59.67 -31973 6539.9 -38513 -38513 -2.7194 -4.0594 0.049127 1.3028e+05 2024-05-17 03:39:01,024 INFO [main.py:798]
{rank 0/64} MD step = 74700 step time: 00:00:00.348389 Performance: 41.241 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 03:39:10,061 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 74700 14940 59.745 -31835 6548.2 -38383 -38383 -2.7229 -4.0654 0.048565 1.3044e+05 2024-05-17 03:39:46,607 INFO [main.py:798]
{rank 0/64} MD step = 74800 step time: 00:00:00.389973 Performance: 41.236 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 03:39:55,441 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 74800 14960 59.66 -31898 6538.8 -38436 -38436 -2.727 -4.0696 0.050727 1.3063e+05 2024-05-17 03:40:30,609 INFO [main.py:798]
{rank 0/64} MD step = 74900 step time: 00:00:00.342060 Performance: 41.233 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 03:40:39,019 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 59.352 -32021 6505 -38526 -38526 -2.7317 -4.0752 0.050422 1.308e+05 2024-05-17 03:41:14,242 INFO [main.py:798]
{rank 0/64} MD step = 75000 step time: 00:00:00.338069 Performance: 41.231 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 03:41:23,122 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 75000 15000 60.19 -31896 6596.9 -38493 -38493 -2.7349 -4.0817 0.052479 1.3093e+05 2024-05-17 03:41:59,592 INFO [main.py:798]
{rank 0/64} MD step = 75100 step time: 00:00:00.347435 Performance: 41.226 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 03:42:07,255 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 60.15 -31941 6592.5 -38534 -38534 -2.7395 -4.0876 0.052917 1.3114e+05 2024-05-17 03:42:43,186 INFO [main.py:798]
{rank 0/64} MD step = 75200 step time: 00:00:00.373599 Performance: 41.224 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 03:42:50,114 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 60.175 -31972 6595.2 -38567 -38567 -2.7444 -4.0938 0.053984 1.3131e+05 2024-05-17 03:43:26,504 INFO [main.py:798]
{rank 0/64} MD step = 75300 step time: 00:00:00.345278 Performance: 41.222 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 03:43:32,391 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 60.187 -31749 6596.6 -38345 -38345 -2.7485 -4.0994 0.054836 1.3153e+05 2024-05-17 03:44:06,281 INFO [main.py:798]
{rank 0/64} MD step = 75400 step time: 00:00:00.357814 Performance: 41.225 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 03:44:12,350 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 59.105 -31940 6478 -38418 -38418 -2.7519 -4.1038 0.057032 1.3168e+05 2024-05-17 03:44:46,810 INFO [main.py:798]
{rank 0/64} MD step = 75500 step time: 00:00:00.345690 Performance: 41.227 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 03:44:54,170 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 75500 15100 60.353 -31808 6614.8 -38423 -38423 -2.7562 -4.1099 0.058632 1.3185e+05 2024-05-17 03:45:30,695 INFO [main.py:798]
{rank 0/64} MD step = 75600 step time: 00:00:00.352319 Performance: 41.224 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 03:45:37,867 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 59.715 -31893 6544.8 -38438 -38438 -2.7616 -4.1159 0.058118 1.3204e+05 2024-05-17 03:46:12,557 INFO [main.py:798]
{rank 0/64} MD step = 75700 step time: 00:00:00.358293 Performance: 41.225 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 03:46:21,112 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 60.757 -31630 6659 -38289 -38289 -2.7644 -4.1219 0.059746 1.3226e+05 2024-05-17 03:46:55,696 INFO [main.py:798]
{rank 0/64} MD step = 75800 step time: 00:00:00.344272 Performance: 41.223 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 03:47:02,475 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 75800 15160 60.177 -31830 6595.4 -38426 -38426 -2.7679 -4.1283 0.058832 1.3242e+05 2024-05-17 03:47:36,946 INFO [main.py:798]
{rank 0/64} MD step = 75900 step time: 00:00:00.361728 Performance: 41.224 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 03:47:40,657 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 59.387 -31901 6508.9 -38410 -38410 -2.7712 -4.1357 0.058175 1.3259e+05 2024-05-17 03:48:18,122 INFO [main.py:798]
{rank 0/64} MD step = 76000 step time: 00:00:00.347739 Performance: 41.225 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 03:48:24,718 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76000 15200 60.413 -31847 6621.4 -38468 -38468 -2.7743 -4.1415 0.059051 1.3276e+05 2024-05-17 03:49:00,005 INFO [main.py:798]
{rank 0/64} MD step = 76100 step time: 00:00:00.377620 Performance: 41.225 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 03:49:06,038 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 60.1 -31916 6587 -38503 -38503 -2.7765 -4.1475 0.060842 1.3294e+05 2024-05-17 03:49:40,241 INFO [main.py:798]
{rank 0/64} MD step = 76200 step time: 00:00:00.343418 Performance: 41.227 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 03:49:47,359 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 60.345 -31913 6613.9 -38526 -38526 -2.7801 -4.1532 0.061222 1.3313e+05 2024-05-17 03:50:22,380 INFO [main.py:798]
{rank 0/64} MD step = 76300 step time: 00:00:00.342859 Performance: 41.227 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 03:50:31,333 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76300 15260 59.706 -32072 6543.8 -38616 -38616 -2.7852 -4.1584 0.061413 1.3326e+05 2024-05-17 03:51:05,792 INFO [main.py:798]
{rank 0/64} MD step = 76400 step time: 00:00:00.353883 Performance: 41.225 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 03:51:11,416 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76400 15280 59.913 -31893 6566.6 -38460 -38460 -2.7882 -4.1649 0.061699 1.3347e+05 2024-05-17 03:51:46,270 INFO [main.py:798]
{rank 0/64} MD step = 76500 step time: 00:00:00.343502 Performance: 41.227 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 03:51:52,323 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76500 15300 60.079 -31893 6584.8 -38478 -38478 -2.7919 -4.1697 0.063165 1.3365e+05 2024-05-17 03:52:27,189 INFO [main.py:798]
{rank 0/64} MD step = 76600 step time: 00:00:00.350256 Performance: 41.228 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 03:52:33,553 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76600 15320 59.908 -31949 6566 -38515 -38515 -2.7962 -4.1751 0.064937 1.3382e+05 2024-05-17 03:53:09,273 INFO [main.py:798]
{rank 0/64} MD step = 76700 step time: 00:00:00.357172 Performance: 41.228 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 03:53:16,504 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 60.755 -31937 6658.8 -38596 -38596 -2.8009 -4.181 0.065623 1.3399e+05 2024-05-17 03:53:51,036 INFO [main.py:798]
{rank 0/64} MD step = 76800 step time: 00:00:00.354080 Performance: 41.228 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 03:54:00,485 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76800 15360 60.222 -31879 6600.4 -38479 -38479 -2.8049 -4.1875 0.067128 1.3418e+05 2024-05-17 03:54:34,705 INFO [main.py:798]
{rank 0/64} MD step = 76900 step time: 00:00:00.355441 Performance: 41.226 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 03:54:41,123 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 61.056 -31734 6691.8 -38425 -38425 -2.8097 -4.1935 0.06728 1.3437e+05 2024-05-17 03:55:16,157 INFO [main.py:798]
{rank 0/64} MD step = 77000 step time: 00:00:00.352673 Performance: 41.226 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 03:55:21,538 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 59.988 -31838 6574.8 -38412 -38412 -2.8136 -4.1997 0.067794 1.3455e+05 2024-05-17 03:55:56,284 INFO [main.py:798]
{rank 0/64} MD step = 77100 step time: 00:00:00.355683 Performance: 41.229 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 03:56:01,492 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77100 15420 59.232 -31926 6491.9 -38418 -38418 -2.8181 -4.206 0.068956 1.3473e+05 2024-05-17 03:56:36,399 INFO [main.py:798]
{rank 0/64} MD step = 77200 step time: 00:00:00.353209 Performance: 41.231 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 03:56:42,942 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77200 15440 60.067 -31912 6583.4 -38495 -38495 -2.8229 -4.2125 0.068747 1.3491e+05 2024-05-17 03:57:17,213 INFO [main.py:798]
{rank 0/64} MD step = 77300 step time: 00:00:00.337998 Performance: 41.232 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 03:57:24,368 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 59.504 -31959 6521.7 -38481 -38481 -2.8255 -4.2176 0.069223 1.351e+05 2024-05-17 03:57:58,881 INFO [main.py:798]
{rank 0/64} MD step = 77400 step time: 00:00:00.347823 Performance: 41.233 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 03:58:04,926 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77400 15480 59.527 -31989 6524.3 -38513 -38513 -2.8288 -4.2227 0.068694 1.3524e+05 2024-05-17 03:58:39,229 INFO [main.py:798]
{rank 0/64} MD step = 77500 step time: 00:00:00.356380 Performance: 41.234 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 03:58:49,927 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77500 15500 59.4 -31990 6510.3 -38500 -38500 -2.8326 -4.2289 0.069928 1.3542e+05 2024-05-17 03:59:24,627 INFO [main.py:798]
{rank 0/64} MD step = 77600 step time: 00:00:00.362222 Performance: 41.230 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 03:59:31,524 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 60.932 -31881 6678.2 -38559 -38559 -2.8364 -4.2352 0.07028 1.3559e+05 2024-05-17 04:00:06,013 INFO [main.py:798]
{rank 0/64} MD step = 77700 step time: 00:00:00.337501 Performance: 41.231 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 04:00:13,909 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77700 15540 60.607 -31836 6642.6 -38479 -38479 -2.8398 -4.241 0.071356 1.3577e+05 2024-05-17 04:00:48,501 INFO [main.py:798]
{rank 0/64} MD step = 77800 step time: 00:00:00.334051 Performance: 41.230 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 04:00:54,530 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77800 15560 60.08 -31872 6584.9 -38457 -38457 -2.8431 -4.247 0.070509 1.3595e+05 2024-05-17 04:01:28,721 INFO [main.py:798]
{rank 0/64} MD step = 77900 step time: 00:00:00.349797 Performance: 41.232 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 04:01:33,512 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 59.364 -31954 6506.4 -38460 -38460 -2.8474 -4.2526 0.071356 1.3608e+05 2024-05-17 04:02:09,688 INFO [main.py:798]
{rank 0/64} MD step = 78000 step time: 00:00:00.344331 Performance: 41.233 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 04:02:15,263 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 78000 15600 59.462 -31965 6517.1 -38482 -38482 -2.8509 -4.2591 0.070633 1.3631e+05 2024-05-17 04:02:50,367 INFO [main.py:798]
{rank 0/64} MD step = 78100 step time: 00:00:00.371672 Performance: 41.235 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 04:02:55,959 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 60.317 -31908 6610.8 -38519 -38519 -2.8548 -4.2666 0.072211 1.3647e+05 2024-05-17 04:03:30,143 INFO [main.py:798]
{rank 0/64} MD step = 78200 step time: 00:00:00.348160 Performance: 41.238 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 04:03:36,585 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 59.684 -31854 6541.5 -38395 -38395 -2.8563 -4.2724 0.072576 1.3669e+05 2024-05-17 04:04:11,111 INFO [main.py:798]
{rank 0/64} MD step = 78300 step time: 00:00:00.375875 Performance: 41.239 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 04:04:18,751 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 58.857 -32002 6450.8 -38453 -38453 -2.8595 -4.2775 0.072414 1.3686e+05 2024-05-17 04:04:53,827 INFO [main.py:798]
{rank 0/64} MD step = 78400 step time: 00:00:00.364897 Performance: 41.238 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 04:04:59,696 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 78400 15680 60.618 -31791 6643.8 -38435 -38435 -2.8647 -4.284 0.071852 1.3702e+05 2024-05-17 04:05:34,445 INFO [main.py:798]
{rank 0/64} MD step = 78500 step time: 00:00:00.371274 Performance: 41.239 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 04:05:38,612 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 60.341 -31717 6613.5 -38331 -38331 -2.8683 -4.2888 0.071871 1.3718e+05 2024-05-17 04:06:14,352 INFO [main.py:798]
{rank 0/64} MD step = 78600 step time: 00:00:00.339358 Performance: 41.242 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 04:06:19,896 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 60.689 -31892 6651.6 -38543 -38543 -2.8718 -4.2937 0.071242 1.3733e+05 2024-05-17 04:06:54,294 INFO [main.py:798]
{rank 0/64} MD step = 78700 step time: 00:00:00.357536 Performance: 41.244 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 04:06:59,553 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 78700 15740 59.74 -31867 6547.6 -38414 -38414 -2.8779 -4.2994 0.06968 1.3755e+05 2024-05-17 04:07:35,876 INFO [main.py:798]
{rank 0/64} MD step = 78800 step time: 00:00:00.377506 Performance: 41.245 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 04:07:43,617 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 78800 15760 60.345 -31770 6613.9 -38384 -38384 -2.8816 -4.3041 0.071318 1.3775e+05 2024-05-17 04:08:17,973 INFO [main.py:798]
{rank 0/64} MD step = 78900 step time: 00:00:00.347783 Performance: 41.244 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 04:08:22,542 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 78900 15780 59.239 -31976 6492.7 -38468 -38468 -2.8871 -4.3104 0.071375 1.3792e+05 2024-05-17 04:08:59,690 INFO [main.py:798]
{rank 0/64} MD step = 79000 step time: 00:00:00.339145 Performance: 41.245 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 04:09:04,866 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79000 15800 59.683 -31977 6541.3 -38519 -38519 -2.8901 -4.3154 0.07209 1.3809e+05 2024-05-17 04:09:39,398 INFO [main.py:798]
{rank 0/64} MD step = 79100 step time: 00:00:00.343972 Performance: 41.247 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 04:09:45,661 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79100 15820 59.438 -31824 6514.4 -38339 -38339 -2.8946 -4.3224 0.073328 1.3828e+05 2024-05-17 04:10:20,202 INFO [main.py:798]
{rank 0/64} MD step = 79200 step time: 00:00:00.365263 Performance: 41.249 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 04:10:26,194 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 59.912 -31786 6566.4 -38352 -38352 -2.8987 -4.3273 0.072442 1.3844e+05 2024-05-17 04:11:01,167 INFO [main.py:798]
{rank 0/64} MD step = 79300 step time: 00:00:00.353777 Performance: 41.250 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 04:11:07,447 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79300 15860 61.4 -31737 6729.5 -38467 -38467 -2.8996 -4.3325 0.072461 1.3859e+05 2024-05-17 04:11:42,097 INFO [main.py:798]
{rank 0/64} MD step = 79400 step time: 00:00:00.340759 Performance: 41.251 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 04:11:48,389 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79400 15880 60.144 -31812 6591.8 -38404 -38404 -2.9036 -4.3372 0.071671 1.3878e+05 2024-05-17 04:12:22,639 INFO [main.py:798]
{rank 0/64} MD step = 79500 step time: 00:00:00.352255 Performance: 41.253 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 04:12:30,027 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 60.695 -31981 6652.2 -38633 -38633 -2.9064 -4.3443 0.072537 1.3888e+05 2024-05-17 04:13:04,950 INFO [main.py:798]
{rank 0/64} MD step = 79600 step time: 00:00:00.352107 Performance: 41.252 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 04:13:13,964 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 59.829 -32049 6557.3 -38606 -38606 -2.9093 -4.3503 0.071823 1.3906e+05 2024-05-17 04:13:48,682 INFO [main.py:798]
{rank 0/64} MD step = 79700 step time: 00:00:00.350037 Performance: 41.250 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 04:13:55,664 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 60.615 -31837 6643.5 -38481 -38481 -2.9127 -4.3567 0.071528 1.3929e+05 2024-05-17 04:14:31,449 INFO [main.py:798]
{rank 0/64} MD step = 79800 step time: 00:00:00.365743 Performance: 41.249 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 04:14:38,962 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79800 15960 60.096 -31810 6586.6 -38396 -38396 -2.9176 -4.3634 0.072842 1.3946e+05 2024-05-17 04:15:13,566 INFO [main.py:798]
{rank 0/64} MD step = 79900 step time: 00:00:00.348961 Performance: 41.249 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 04:15:18,494 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79900 15980 59.343 -32031 6504.1 -38535 -38535 -2.9215 -4.3691 0.073785 1.396e+05 2024-05-17 04:15:55,877 INFO [main.py:798]
{rank 0/64} MD step = 80000 step time: 00:00:00.373422 Performance: 41.248 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 04:16:01,972 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 60.171 -31962 6594.8 -38557 -38557 -2.9263 -4.3754 0.07488 1.398e+05 2024-05-17 04:16:36,859 INFO [main.py:798]
{rank 0/64} MD step = 80100 step time: 00:00:00.362696 Performance: 41.249 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 04:16:41,343 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 80100 16020 59.807 -31989 6554.9 -38544 -38544 -2.9302 -4.3803 0.077157 1.3997e+05 2024-05-17 04:17:16,769 INFO [main.py:798]
{rank 0/64} MD step = 80200 step time: 00:00:00.370201 Performance: 41.252 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 04:17:23,988 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 80200 16040 60.561 -31956 6637.5 -38593 -38593 -2.933 -4.3865 0.0769 1.4015e+05 2024-05-17 04:17:58,498 INFO [main.py:798]
{rank 0/64} MD step = 80300 step time: 00:00:00.353244 Performance: 41.252 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 04:18:03,589 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 80300 16060 60.375 -31913 6617.2 -38530 -38530 -2.9366 -4.3927 0.078138 1.4037e+05 2024-05-17 04:18:38,549 INFO [main.py:798]
{rank 0/64} MD step = 80400 step time: 00:00:00.350628 Performance: 41.254 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 04:18:44,189 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 60.262 -31947 6604.8 -38552 -38552 -2.9407 -4.4014 0.078109 1.4051e+05 2024-05-17 04:19:17,784 INFO [main.py:798]
{rank 0/64} MD step = 80500 step time: 00:00:00.346883 Performance: 41.257 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 04:19:23,023 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 61.36 -31693 6725.1 -38418 -38418 -2.9425 -4.4069 0.079281 1.407e+05 2024-05-17 04:19:57,309 INFO [main.py:798]
{rank 0/64} MD step = 80600 step time: 00:00:00.345337 Performance: 41.260 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 04:20:03,210 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 59.135 -32157 6481.3 -38638 -38638 -2.9448 -4.4131 0.082157 1.4086e+05 2024-05-17 04:20:39,215 INFO [main.py:798]
{rank 0/64} MD step = 80700 step time: 00:00:00.371983 Performance: 41.260 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 04:20:45,540 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 60.083 -32010 6585.2 -38595 -38595 -2.948 -4.4197 0.083662 1.4102e+05 2024-05-17 04:21:21,434 INFO [main.py:798]
{rank 0/64} MD step = 80800 step time: 00:00:00.372978 Performance: 41.260 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 04:21:28,229 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 60.622 -31920 6644.3 -38564 -38564 -2.9505 -4.4261 0.083957 1.4121e+05 2024-05-17 04:22:04,516 INFO [main.py:798]
{rank 0/64} MD step = 80900 step time: 00:00:00.354384 Performance: 41.258 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 04:22:10,509 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 60.343 -31899 6613.7 -38513 -38513 -2.9542 -4.4323 0.084729 1.414e+05 2024-05-17 04:22:44,819 INFO [main.py:798]
{rank 0/64} MD step = 81000 step time: 00:00:00.371696 Performance: 41.260 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 04:22:51,284 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 59.833 -31851 6557.7 -38409 -38409 -2.9565 -4.4363 0.0845 1.4157e+05 2024-05-17 04:23:25,836 INFO [main.py:798]
{rank 0/64} MD step = 81100 step time: 00:00:00.379444 Performance: 41.261 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 04:23:31,350 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 81100 16220 59.106 -31965 6478 -38443 -38443 -2.9608 -4.4419 0.0845 1.4174e+05 2024-05-17 04:24:05,827 INFO [main.py:798]
{rank 0/64} MD step = 81200 step time: 00:00:00.354410 Performance: 41.264 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 04:24:11,754 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 81200 16240 60.838 -31819 6667.9 -38487 -38487 -2.9652 -4.4468 0.084452 1.4192e+05 2024-05-17 04:24:46,215 INFO [main.py:798]
{rank 0/64} MD step = 81300 step time: 00:00:00.376523 Performance: 41.265 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 04:24:52,267 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 60.222 -31843 6600.5 -38444 -38444 -2.9695 -4.4506 0.084271 1.4209e+05 2024-05-17 04:25:27,484 INFO [main.py:798]
{rank 0/64} MD step = 81400 step time: 00:00:00.370529 Performance: 41.266 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 04:25:32,958 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 81400 16280 59.985 -32063 6574.4 -38637 -38637 -2.9731 -4.4548 0.083962 1.4223e+05 2024-05-17 04:26:07,490 INFO [main.py:798]
{rank 0/64} MD step = 81500 step time: 00:00:00.352998 Performance: 41.268 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 04:26:14,173 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 59.948 -31887 6570.4 -38457 -38457 -2.9767 -4.46 0.083348 1.4243e+05 2024-05-17 04:26:48,250 INFO [main.py:798]
{rank 0/64} MD step = 81600 step time: 00:00:00.336832 Performance: 41.270 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 04:26:54,824 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 60.698 -31770 6652.6 -38423 -38423 -2.981 -4.4651 0.082347 1.4263e+05 2024-05-17 04:27:29,928 INFO [main.py:798]
{rank 0/64} MD step = 81700 step time: 00:00:00.377535 Performance: 41.270 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 04:27:36,258 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 60.438 -31883 6624.1 -38507 -38507 -2.9852 -4.4706 0.081928 1.4279e+05 2024-05-17 04:28:11,071 INFO [main.py:798]
{rank 0/64} MD step = 81800 step time: 00:00:00.351863 Performance: 41.271 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 04:28:17,059 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 61.227 -31741 6710.5 -38451 -38451 -2.989 -4.4756 0.083938 1.4296e+05 2024-05-17 04:28:51,362 INFO [main.py:798]
{rank 0/64} MD step = 81900 step time: 00:00:00.352879 Performance: 41.273 ns/day 0.581 hours/ns 2.388 steps/s 2024-05-17 04:28:57,754 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 61.399 -31756 6729.5 -38486 -38486 -2.9937 -4.4822 0.08511 1.4315e+05 2024-05-17 04:29:32,220 INFO [main.py:798]
{rank 0/64} MD step = 82000 step time: 00:00:00.341265 Performance: 41.274 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:29:38,369 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82000 16400 59.669 -31953 6539.8 -38493 -38493 -2.997 -4.4878 0.084024 1.433e+05 2024-05-17 04:30:13,392 INFO [main.py:798]
{rank 0/64} MD step = 82100 step time: 00:00:00.382776 Performance: 41.275 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:30:18,139 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82100 16420 60.461 -31887 6626.6 -38514 -38514 -3.0011 -4.4936 0.086452 1.4348e+05 2024-05-17 04:30:53,917 INFO [main.py:798]
{rank 0/64} MD step = 82200 step time: 00:00:00.352743 Performance: 41.276 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:30:59,384 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 60.622 -31841 6644.3 -38485 -38485 -3.0048 -4.5005 0.089634 1.4366e+05 2024-05-17 04:31:35,709 INFO [main.py:798]
{rank 0/64} MD step = 82300 step time: 00:00:00.371945 Performance: 41.276 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:31:40,918 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82300 16460 60.359 -31951 6615.5 -38567 -38567 -3.0093 -4.5064 0.090586 1.4382e+05 2024-05-17 04:32:16,325 INFO [main.py:798]
{rank 0/64} MD step = 82400 step time: 00:00:00.350836 Performance: 41.278 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:32:26,934 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82400 16480 60.21 -32150 6599 -38749 -38749 -3.0126 -4.5123 0.090329 1.4398e+05 2024-05-17 04:33:01,148 INFO [main.py:798]
{rank 0/64} MD step = 82500 step time: 00:00:00.352130 Performance: 41.274 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:33:07,010 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 60.723 -31905 6655.3 -38560 -38560 -3.0151 -4.517 0.091472 1.442e+05 2024-05-17 04:33:42,034 INFO [main.py:798]
{rank 0/64} MD step = 82600 step time: 00:00:00.355988 Performance: 41.276 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:33:48,019 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 60.21 -31997 6599.1 -38597 -38597 -3.0181 -4.5234 0.091891 1.4432e+05 2024-05-17 04:34:22,414 INFO [main.py:798]
{rank 0/64} MD step = 82700 step time: 00:00:00.343199 Performance: 41.277 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:34:28,997 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82700 16540 59.352 -32010 6505.1 -38515 -38515 -3.0214 -4.5293 0.093681 1.4453e+05 2024-05-17 04:35:05,055 INFO [main.py:798]
{rank 0/64} MD step = 82800 step time: 00:00:00.370701 Performance: 41.276 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:35:14,488 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82800 16560 58.63 -32099 6425.9 -38525 -38525 -3.0245 -4.5348 0.094939 1.4469e+05 2024-05-17 04:35:49,017 INFO [main.py:798]
{rank 0/64} MD step = 82900 step time: 00:00:00.350825 Performance: 41.274 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:35:56,395 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82900 16580 60.083 -31941 6585.2 -38526 -38526 -3.0292 -4.5405 0.097148 1.4487e+05 2024-05-17 04:36:31,136 INFO [main.py:798]
{rank 0/64} MD step = 83000 step time: 00:00:00.358119 Performance: 41.274 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:36:36,686 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 60.105 -31885 6587.6 -38473 -38473 -3.0331 -4.5474 0.099034 1.4503e+05 2024-05-17 04:37:11,370 INFO [main.py:798]
{rank 0/64} MD step = 83100 step time: 00:00:00.344793 Performance: 41.276 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:37:16,256 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 60.222 -32184 6600.4 -38784 -38784 -3.0359 -4.5527 0.099301 1.4518e+05 2024-05-17 04:37:52,079 INFO [main.py:798]
{rank 0/64} MD step = 83200 step time: 00:00:00.349889 Performance: 41.277 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:37:57,889 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 60.633 -31966 6645.4 -38611 -38611 -3.0381 -4.5592 0.10006 1.4536e+05 2024-05-17 04:38:31,809 INFO [main.py:798]
{rank 0/64} MD step = 83300 step time: 00:00:00.354644 Performance: 41.279 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:38:39,838 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 83300 16660 59.272 -32081 6496.3 -38577 -38577 -3.0404 -4.5658 0.10073 1.4553e+05 2024-05-17 04:39:15,506 INFO [main.py:798]
{rank 0/64} MD step = 83400 step time: 00:00:00.380425 Performance: 41.277 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:39:23,705 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 83400 16680 59.71 -32006 6544.2 -38550 -38550 -3.044 -4.5712 0.10128 1.457e+05 2024-05-17 04:39:58,065 INFO [main.py:798]
{rank 0/64} MD step = 83500 step time: 00:00:00.333020 Performance: 41.276 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:40:05,168 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 60.297 -31750 6608.6 -38358 -38358 -3.0472 -4.5783 0.10095 1.4594e+05 2024-05-17 04:40:39,932 INFO [main.py:798]
{rank 0/64} MD step = 83600 step time: 00:00:00.362890 Performance: 41.276 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:40:46,195 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 59.994 -31866 6575.4 -38442 -38442 -3.05 -4.5839 0.10142 1.4611e+05 2024-05-17 04:41:22,432 INFO [main.py:798]
{rank 0/64} MD step = 83700 step time: 00:00:00.377859 Performance: 41.276 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:41:28,569 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 59.692 -31942 6542.3 -38484 -38484 -3.0547 -4.59 0.10149 1.4623e+05 2024-05-17 04:42:03,342 INFO [main.py:798]
{rank 0/64} MD step = 83800 step time: 00:00:00.348038 Performance: 41.277 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:42:12,613 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 83800 16760 59.392 -31967 6509.4 -38476 -38476 -3.0578 -4.5967 0.10142 1.464e+05 2024-05-17 04:42:47,326 INFO [main.py:798]
{rank 0/64} MD step = 83900 step time: 00:00:00.347303 Performance: 41.274 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:42:52,685 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 60.182 -31915 6596.1 -38511 -38511 -3.0611 -4.6026 0.1021 1.4656e+05 2024-05-17 04:43:27,021 INFO [main.py:798]
{rank 0/64} MD step = 84000 step time: 00:00:00.355396 Performance: 41.277 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:43:32,561 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84000 16800 60.706 -31780 6653.5 -38433 -38433 -3.0651 -4.6086 0.10242 1.4676e+05 2024-05-17 04:44:07,663 INFO [main.py:798]
{rank 0/64} MD step = 84100 step time: 00:00:00.349250 Performance: 41.278 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:44:13,419 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 59.463 -32044 6517.2 -38561 -38561 -3.0684 -4.6164 0.10253 1.4693e+05 2024-05-17 04:44:48,015 INFO [main.py:798]
{rank 0/64} MD step = 84200 step time: 00:00:00.351153 Performance: 41.280 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:44:54,543 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84200 16840 59.683 -31944 6541.3 -38485 -38485 -3.0725 -4.6204 0.10314 1.4709e+05 2024-05-17 04:45:29,316 INFO [main.py:798]
{rank 0/64} MD step = 84300 step time: 00:00:00.332900 Performance: 41.281 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:45:35,802 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84300 16860 59.888 -31930 6563.8 -38494 -38494 -3.0782 -4.6264 0.10435 1.4729e+05 2024-05-17 04:46:10,731 INFO [main.py:798]
{rank 0/64} MD step = 84400 step time: 00:00:00.357582 Performance: 41.281 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:46:17,391 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84400 16880 60.163 -31879 6593.9 -38473 -38473 -3.0836 -4.632 0.10599 1.4747e+05 2024-05-17 04:46:52,204 INFO [main.py:798]
{rank 0/64} MD step = 84500 step time: 00:00:00.352719 Performance: 41.282 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:46:57,291 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84500 16900 59.144 -32002 6482.3 -38485 -38485 -3.0891 -4.6375 0.10538 1.4761e+05 2024-05-17 04:47:32,147 INFO [main.py:798]
{rank 0/64} MD step = 84600 step time: 00:00:00.337266 Performance: 41.284 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:47:38,727 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84600 16920 59.46 -31971 6516.9 -38487 -38487 -3.0935 -4.6437 0.10599 1.478e+05 2024-05-17 04:48:13,663 INFO [main.py:798]
{rank 0/64} MD step = 84700 step time: 00:00:00.345047 Performance: 41.284 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:48:20,280 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84700 16940 59.721 -31920 6545.5 -38466 -38466 -3.0981 -4.6499 0.1062 1.4795e+05 2024-05-17 04:48:55,149 INFO [main.py:798]
{rank 0/64} MD step = 84800 step time: 00:00:00.338982 Performance: 41.285 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:49:00,699 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84800 16960 59.813 -31957 6555.5 -38513 -38513 -3.1017 -4.6559 0.10797 1.4816e+05 2024-05-17 04:49:35,192 INFO [main.py:798]
{rank 0/64} MD step = 84900 step time: 00:00:00.353414 Performance: 41.287 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:49:42,722 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84900 16980 59.401 -31901 6510.4 -38412 -38412 -3.1046 -4.6604 0.10931 1.4833e+05 2024-05-17 04:50:17,768 INFO [main.py:798]
{rank 0/64} MD step = 85000 step time: 00:00:00.353359 Performance: 41.286 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:50:22,724 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 85000 17000 60.523 -31811 6633.4 -38444 -38444 -3.1093 -4.6662 0.1093 1.4849e+05 2024-05-17 04:50:57,431 INFO [main.py:798]
{rank 0/64} MD step = 85100 step time: 00:00:00.335124 Performance: 41.289 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:51:02,586 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 59.687 -31960 6541.7 -38502 -38502 -3.1145 -4.6712 0.11042 1.4864e+05 2024-05-17 04:51:37,402 INFO [main.py:798]
{rank 0/64} MD step = 85200 step time: 00:00:00.365331 Performance: 41.291 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 04:51:43,727 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 60.421 -31851 6622.3 -38473 -38473 -3.118 -4.6777 0.10978 1.4882e+05 2024-05-17 04:52:18,383 INFO [main.py:798]
{rank 0/64} MD step = 85300 step time: 00:00:00.340618 Performance: 41.292 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 04:52:23,621 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 60.014 -31877 6577.6 -38455 -38455 -3.1222 -4.683 0.11027 1.4901e+05 2024-05-17 04:53:01,290 INFO [main.py:798]
{rank 0/64} MD step = 85400 step time: 00:00:00.371270 Performance: 41.291 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:53:08,926 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 59.651 -31994 6537.8 -38532 -38532 -3.1269 -4.6889 0.11223 1.4915e+05 2024-05-17 04:53:43,298 INFO [main.py:798]
{rank 0/64} MD step = 85500 step time: 00:00:00.328890 Performance: 41.290 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:53:52,719 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 59.72 -31787 6545.4 -38332 -38332 -3.1291 -4.6954 0.11288 1.4934e+05 2024-05-17 04:54:27,085 INFO [main.py:798]
{rank 0/64} MD step = 85600 step time: 00:00:00.331062 Performance: 41.288 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:54:36,817 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 60.223 -31962 6600.5 -38563 -38563 -3.1348 -4.7012 0.11437 1.4955e+05 2024-05-17 04:55:10,707 INFO [main.py:798]
{rank 0/64} MD step = 85700 step time: 00:00:00.351956 Performance: 41.286 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:55:17,864 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 85700 17140 60.316 -31974 6610.7 -38585 -38585 -3.1393 -4.7071 0.11471 1.4971e+05 2024-05-17 04:55:53,745 INFO [main.py:798]
{rank 0/64} MD step = 85800 step time: 00:00:00.345740 Performance: 41.285 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:55:58,704 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 85800 17160 60.752 -31667 6658.5 -38325 -38325 -3.1436 -4.7124 0.11446 1.4992e+05 2024-05-17 04:56:34,409 INFO [main.py:798]
{rank 0/64} MD step = 85900 step time: 00:00:00.342494 Performance: 41.286 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:56:41,199 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 60.873 -31733 6671.8 -38405 -38405 -3.1473 -4.7169 0.11531 1.5011e+05 2024-05-17 04:57:17,248 INFO [main.py:798]
{rank 0/64} MD step = 86000 step time: 00:00:00.377881 Performance: 41.285 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:57:21,743 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86000 17200 61.222 -31720 6710 -38430 -38430 -3.15 -4.7222 0.11445 1.5025e+05 2024-05-17 04:57:57,371 INFO [main.py:798]
{rank 0/64} MD step = 86100 step time: 00:00:00.352673 Performance: 41.287 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:58:03,815 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 60.226 -31852 6600.9 -38453 -38453 -3.1531 -4.7293 0.11376 1.5044e+05 2024-05-17 04:58:38,413 INFO [main.py:798]
{rank 0/64} MD step = 86200 step time: 00:00:00.353710 Performance: 41.288 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 04:58:43,751 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 59.83 -31964 6557.5 -38521 -38521 -3.1572 -4.7364 0.11332 1.5059e+05 2024-05-17 04:59:17,871 INFO [main.py:798]
{rank 0/64} MD step = 86300 step time: 00:00:00.350730 Performance: 41.291 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 04:59:22,061 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86300 17260 60.207 -32062 6598.8 -38661 -38661 -3.1605 -4.7437 0.1144 1.5074e+05 2024-05-17 04:59:58,145 INFO [main.py:798]
{rank 0/64} MD step = 86400 step time: 00:00:00.360353 Performance: 41.292 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 05:00:09,732 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86400 17280 60.897 -31850 6674.4 -38525 -38525 -3.1638 -4.75 0.11383 1.5093e+05 2024-05-17 05:00:43,740 INFO [main.py:798]
{rank 0/64} MD step = 86500 step time: 00:00:00.354146 Performance: 41.288 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:00:58,889 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86500 17300 59.437 -31829 6514.3 -38343 -38343 -3.1664 -4.7558 0.11492 1.5114e+05 2024-05-17 05:01:33,348 INFO [main.py:798]
{rank 0/64} MD step = 86600 step time: 00:00:00.352560 Performance: 41.279 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:01:44,476 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86600 17320 59.941 -31912 6569.6 -38482 -38482 -3.1682 -4.7624 0.11504 1.5126e+05 2024-05-17 05:02:19,092 INFO [main.py:798]
{rank 0/64} MD step = 86700 step time: 00:00:00.341857 Performance: 41.275 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:02:26,186 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86700 17340 60.777 -31822 6661.2 -38483 -38483 -3.1712 -4.7684 0.11658 1.5143e+05 2024-05-17 05:03:00,660 INFO [main.py:798]
{rank 0/64} MD step = 86800 step time: 00:00:00.351946 Performance: 41.275 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:03:09,589 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 59.771 -31855 6551 -38406 -38406 -3.1743 -4.7745 0.11873 1.5162e+05 2024-05-17 05:03:43,921 INFO [main.py:798]
{rank 0/64} MD step = 86900 step time: 00:00:00.337554 Performance: 41.274 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:03:47,901 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86900 17380 60.298 -31784 6608.8 -38392 -38392 -3.1775 -4.7803 0.1192 1.5179e+05 2024-05-17 05:04:23,889 INFO [main.py:798]
{rank 0/64} MD step = 87000 step time: 00:00:00.362289 Performance: 41.276 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:04:30,391 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 60.18 -31865 6595.8 -38461 -38461 -3.1821 -4.7867 0.11957 1.5197e+05 2024-05-17 05:05:05,706 INFO [main.py:798]
{rank 0/64} MD step = 87100 step time: 00:00:00.378187 Performance: 41.276 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:05:12,469 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87100 17420 59.961 -31887 6571.8 -38459 -38459 -3.1871 -4.7929 0.121 1.5217e+05 2024-05-17 05:05:47,968 INFO [main.py:798]
{rank 0/64} MD step = 87200 step time: 00:00:00.378773 Performance: 41.275 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:05:53,726 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87200 17440 59.467 -31961 6517.7 -38478 -38478 -3.1911 -4.799 0.12141 1.5235e+05 2024-05-17 05:06:28,323 INFO [main.py:798]
{rank 0/64} MD step = 87300 step time: 00:00:00.346611 Performance: 41.277 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:06:34,723 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87300 17460 59.452 -31975 6516.1 -38491 -38491 -3.195 -4.8053 0.12275 1.5253e+05 2024-05-17 05:07:09,114 INFO [main.py:798]
{rank 0/64} MD step = 87400 step time: 00:00:00.340450 Performance: 41.278 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:07:16,908 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87400 17480 59.755 -31916 6549.2 -38466 -38466 -3.1985 -4.8125 0.1221 1.5268e+05 2024-05-17 05:07:52,326 INFO [main.py:798]
{rank 0/64} MD step = 87500 step time: 00:00:00.339093 Performance: 41.277 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:07:57,633 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87500 17500 60.331 -31868 6612.3 -38481 -38481 -3.2021 -4.8183 0.1234 1.5285e+05 2024-05-17 05:08:31,931 INFO [main.py:798]
{rank 0/64} MD step = 87600 step time: 00:00:00.357352 Performance: 41.279 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:08:35,903 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87600 17520 60.006 -31941 6576.8 -38517 -38517 -3.2053 -4.8235 0.12327 1.5304e+05 2024-05-17 05:09:12,030 INFO [main.py:798]
{rank 0/64} MD step = 87700 step time: 00:00:00.352050 Performance: 41.281 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:09:18,177 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87700 17540 59.607 -31787 6533.1 -38320 -38320 -3.2097 -4.8284 0.12453 1.5328e+05 2024-05-17 05:09:52,208 INFO [main.py:798]
{rank 0/64} MD step = 87800 step time: 00:00:00.351287 Performance: 41.283 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:09:57,605 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 59.533 -32011 6524.9 -38536 -38536 -3.2107 -4.8339 0.12575 1.5342e+05 2024-05-17 05:10:32,969 INFO [main.py:798]
{rank 0/64} MD step = 87900 step time: 00:00:00.367820 Performance: 41.284 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:10:37,470 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87900 17580 59.583 -32173 6530.4 -38703 -38703 -3.2138 -4.8392 0.1265 1.5356e+05 2024-05-17 05:11:13,930 INFO [main.py:798]
{rank 0/64} MD step = 88000 step time: 00:00:00.370533 Performance: 41.285 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:11:19,883 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88000 17600 60.21 -32120 6599.1 -38719 -38719 -3.2169 -4.8443 0.12739 1.5375e+05 2024-05-17 05:11:54,165 INFO [main.py:798]
{rank 0/64} MD step = 88100 step time: 00:00:00.345333 Performance: 41.287 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:12:06,582 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 59.889 -32032 6563.9 -38596 -38596 -3.2197 -4.8511 0.12759 1.5397e+05 2024-05-17 05:12:41,436 INFO [main.py:798]
{rank 0/64} MD step = 88200 step time: 00:00:00.347830 Performance: 41.281 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:12:47,999 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88200 17640 60.253 -31938 6603.9 -38542 -38542 -3.224 -4.8557 0.12875 1.5413e+05 2024-05-17 05:13:22,656 INFO [main.py:798]
{rank 0/64} MD step = 88300 step time: 00:00:00.353089 Performance: 41.282 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:13:26,989 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 59.531 -32120 6524.7 -38645 -38645 -3.2286 -4.8612 0.12933 1.5428e+05 2024-05-17 05:14:02,717 INFO [main.py:798]
{rank 0/64} MD step = 88400 step time: 00:00:00.348046 Performance: 41.284 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:14:08,833 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88400 17680 60.032 -31957 6579.5 -38536 -38536 -3.2324 -4.8677 0.12947 1.5448e+05 2024-05-17 05:14:43,292 INFO [main.py:798]
{rank 0/64} MD step = 88500 step time: 00:00:00.363118 Performance: 41.285 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:14:50,306 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88500 17700 60.688 -31866 6651.5 -38518 -38518 -3.2368 -4.8726 0.12918 1.5465e+05 2024-05-17 05:15:25,054 INFO [main.py:798]
{rank 0/64} MD step = 88600 step time: 00:00:00.358583 Performance: 41.285 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:15:32,149 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88600 17720 60.993 -31844 6684.9 -38529 -38529 -3.2406 -4.8778 0.13025 1.5481e+05 2024-05-17 05:16:08,606 INFO [main.py:798]
{rank 0/64} MD step = 88700 step time: 00:00:00.350020 Performance: 41.284 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:16:15,603 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88700 17740 59.622 -32040 6534.7 -38575 -38575 -3.2434 -4.8832 0.1301 1.5495e+05 2024-05-17 05:16:52,267 INFO [main.py:798]
{rank 0/64} MD step = 88800 step time: 00:00:00.377030 Performance: 41.282 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:16:59,221 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 60.483 -31951 6629 -38580 -38580 -3.2468 -4.8893 0.13271 1.5513e+05 2024-05-17 05:17:34,759 INFO [main.py:798]
{rank 0/64} MD step = 88900 step time: 00:00:00.373543 Performance: 41.281 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:17:40,197 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88900 17780 59.565 -32012 6528.4 -38540 -38540 -3.2505 -4.8942 0.13343 1.5533e+05 2024-05-17 05:18:15,796 INFO [main.py:798]
{rank 0/64} MD step = 89000 step time: 00:00:00.344417 Performance: 41.282 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:18:22,157 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 60.419 -31856 6622 -38478 -38478 -3.2537 -4.8999 0.13539 1.5551e+05 2024-05-17 05:18:56,493 INFO [main.py:798]
{rank 0/64} MD step = 89100 step time: 00:00:00.348436 Performance: 41.283 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:19:01,040 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 89100 17820 60.048 -31830 6581.3 -38411 -38411 -3.2575 -4.9069 0.13814 1.5571e+05 2024-05-17 05:19:37,988 INFO [main.py:798]
{rank 0/64} MD step = 89200 step time: 00:00:00.379628 Performance: 41.283 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:19:44,368 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 89200 17840 59.518 -31726 6523.2 -38249 -38249 -3.2615 -4.9134 0.13827 1.5588e+05 2024-05-17 05:20:19,475 INFO [main.py:798]
{rank 0/64} MD step = 89300 step time: 00:00:00.368579 Performance: 41.284 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:20:25,282 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 89300 17860 59.962 -31760 6571.9 -38332 -38332 -3.2649 -4.9194 0.13821 1.5606e+05 2024-05-17 05:21:00,000 INFO [main.py:798]
{rank 0/64} MD step = 89400 step time: 00:00:00.351073 Performance: 41.285 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:21:07,143 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 89400 17880 59.531 -31938 6524.7 -38463 -38463 -3.2681 -4.9243 0.13959 1.5622e+05 2024-05-17 05:21:42,931 INFO [main.py:798]
{rank 0/64} MD step = 89500 step time: 00:00:00.386641 Performance: 41.284 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:21:50,055 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 59.092 -31888 6476.5 -38365 -38365 -3.271 -4.9296 0.14014 1.5643e+05 2024-05-17 05:22:24,865 INFO [main.py:798]
{rank 0/64} MD step = 89600 step time: 00:00:00.364676 Performance: 41.284 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:22:31,503 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 60.519 -31779 6633 -38412 -38412 -3.2735 -4.9348 0.14071 1.5661e+05 2024-05-17 05:23:06,266 INFO [main.py:798]
{rank 0/64} MD step = 89700 step time: 00:00:00.366616 Performance: 41.285 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:23:13,195 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 89700 17940 59.889 -31859 6563.9 -38423 -38423 -3.2771 -4.94 0.14247 1.5676e+05 2024-05-17 05:23:48,247 INFO [main.py:798]
{rank 0/64} MD step = 89800 step time: 00:00:00.346518 Performance: 41.284 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:23:58,308 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 89800 17960 59.449 -31881 6515.6 -38396 -38396 -3.2816 -4.9443 0.14243 1.5694e+05 2024-05-17 05:24:33,676 INFO [main.py:798]
{rank 0/64} MD step = 89900 step time: 00:00:00.379920 Performance: 41.280 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:24:40,675 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 59.689 -31667 6541.9 -38209 -38209 -3.2869 -4.9516 0.14407 1.5715e+05 2024-05-17 05:25:17,008 INFO [main.py:798]
{rank 0/64} MD step = 90000 step time: 00:00:00.365550 Performance: 41.279 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:25:23,790 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90000 18000 59.68 -31803 6541 -38344 -38344 -3.2913 -4.9569 0.14631 1.5731e+05 2024-05-17 05:25:59,568 INFO [main.py:798]
{rank 0/64} MD step = 90100 step time: 00:00:00.376866 Performance: 41.278 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:26:04,652 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90100 18020 59.641 -31886 6536.8 -38423 -38423 -3.2954 -4.9623 0.14867 1.5748e+05 2024-05-17 05:26:41,003 INFO [main.py:798]
{rank 0/64} MD step = 90200 step time: 00:00:00.370929 Performance: 41.279 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:26:47,322 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90200 18040 60.038 -31794 6580.3 -38374 -38374 -3.2981 -4.967 0.14725 1.5766e+05 2024-05-17 05:27:21,941 INFO [main.py:798]
{rank 0/64} MD step = 90300 step time: 00:00:00.363481 Performance: 41.280 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:27:27,518 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90300 18060 60.505 -31752 6631.4 -38384 -38384 -3.302 -4.9735 0.1473 1.5783e+05 2024-05-17 05:28:05,217 INFO [main.py:798]
{rank 0/64} MD step = 90400 step time: 00:00:00.434811 Performance: 41.278 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:28:11,880 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 59.689 -31977 6541.9 -38519 -38519 -3.3054 -4.9789 0.14786 1.5798e+05 2024-05-17 05:28:46,533 INFO [main.py:798]
{rank 0/64} MD step = 90500 step time: 00:00:00.366495 Performance: 41.279 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:28:52,380 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90500 18100 59.362 -31850 6506.2 -38356 -38356 -3.3072 -4.9844 0.14781 1.5818e+05 2024-05-17 05:29:32,379 INFO [main.py:798]
{rank 0/64} MD step = 90600 step time: 00:00:00.382818 Performance: 41.274 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:29:38,293 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90600 18120 60.015 -31710 6577.8 -38288 -38288 -3.3113 -4.9894 0.14907 1.5837e+05 2024-05-17 05:30:12,394 INFO [main.py:798]
{rank 0/64} MD step = 90700 step time: 00:00:00.352060 Performance: 41.276 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:30:17,636 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 59.831 -31808 6557.6 -38366 -38366 -3.3151 -4.9955 0.14997 1.5854e+05 2024-05-17 05:30:52,184 INFO [main.py:798]
{rank 0/64} MD step = 90800 step time: 00:00:00.346063 Performance: 41.279 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:30:58,865 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 59.943 -31703 6569.8 -38273 -38273 -3.3179 -4.9996 0.1516 1.5874e+05 2024-05-17 05:31:33,628 INFO [main.py:798]
{rank 0/64} MD step = 90900 step time: 00:00:00.345602 Performance: 41.279 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:31:40,005 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90900 18180 60.268 -31738 6605.5 -38343 -38343 -3.3229 -5.0053 0.15188 1.5888e+05 2024-05-17 05:32:16,387 INFO [main.py:798]
{rank 0/64} MD step = 91000 step time: 00:00:00.376657 Performance: 41.278 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:32:22,397 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 91000 18200 59.259 -31867 6494.9 -38362 -38362 -3.328 -5.0119 0.1517 1.5903e+05 2024-05-17 05:32:56,523 INFO [main.py:798]
{rank 0/64} MD step = 91100 step time: 00:00:00.369345 Performance: 41.280 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:33:02,941 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 59.861 -31676 6560.9 -38237 -38237 -3.3303 -5.0168 0.1542 1.592e+05 2024-05-17 05:33:37,936 INFO [main.py:798]
{rank 0/64} MD step = 91200 step time: 00:00:00.344771 Performance: 41.280 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:33:46,259 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 91200 18240 60.57 -31689 6638.6 -38327 -38327 -3.3338 -5.0226 0.15445 1.5936e+05 2024-05-17 05:34:20,788 INFO [main.py:798]
{rank 0/64} MD step = 91300 step time: 00:00:00.354554 Performance: 41.279 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:34:28,713 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 60.805 -31741 6664.3 -38406 -38406 -3.3383 -5.028 0.15342 1.5954e+05 2024-05-17 05:35:03,771 INFO [main.py:798]
{rank 0/64} MD step = 91400 step time: 00:00:00.380039 Performance: 41.278 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:35:16,136 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 91400 18280 59.654 -31905 6538.2 -38443 -38443 -3.3419 -5.0321 0.15444 1.5969e+05 2024-05-17 05:35:52,409 INFO [main.py:798]
{rank 0/64} MD step = 91500 step time: 00:00:00.382963 Performance: 41.271 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 05:35:58,050 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 60.064 -31803 6583.1 -38387 -38387 -3.3445 -5.0398 0.15607 1.5986e+05 2024-05-17 05:36:32,858 INFO [main.py:798]
{rank 0/64} MD step = 91600 step time: 00:00:00.349008 Performance: 41.272 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 05:36:41,476 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 91600 18320 59.891 -31714 6564.1 -38278 -38278 -3.3487 -5.0457 0.15729 1.6007e+05 2024-05-17 05:37:15,400 INFO [main.py:798]
{rank 0/64} MD step = 91700 step time: 00:00:00.353217 Performance: 41.272 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 05:37:20,522 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 60.187 -31740 6596.6 -38336 -38336 -3.3521 -5.0522 0.15601 1.6023e+05 2024-05-17 05:37:56,427 INFO [main.py:798]
{rank 0/64} MD step = 91800 step time: 00:00:00.353389 Performance: 41.273 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 05:38:02,298 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 59.633 -31934 6535.9 -38469 -38469 -3.3554 -5.0586 0.15426 1.604e+05 2024-05-17 05:38:36,767 INFO [main.py:798]
{rank 0/64} MD step = 91900 step time: 00:00:00.354995 Performance: 41.274 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:38:41,940 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 60.207 -31666 6598.8 -38265 -38265 -3.3597 -5.0633 0.1554 1.606e+05 2024-05-17 05:39:17,970 INFO [main.py:798]
{rank 0/64} MD step = 92000 step time: 00:00:00.354384 Performance: 41.275 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:39:25,587 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 92000 18400 59.303 -31834 6499.7 -38334 -38334 -3.3628 -5.0688 0.15567 1.6076e+05 2024-05-17 05:40:01,053 INFO [main.py:798]
{rank 0/64} MD step = 92100 step time: 00:00:00.344578 Performance: 41.274 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:40:05,274 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 92100 18420 60.215 -31802 6599.6 -38402 -38402 -3.3663 -5.0742 0.15589 1.609e+05 2024-05-17 05:40:41,343 INFO [main.py:798]
{rank 0/64} MD step = 92200 step time: 00:00:00.334675 Performance: 41.275 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:40:47,204 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 92200 18440 60.753 -31669 6658.6 -38328 -38328 -3.3694 -5.0807 0.15688 1.6109e+05 2024-05-17 05:41:22,286 INFO [main.py:798]
{rank 0/64} MD step = 92300 step time: 00:00:00.384848 Performance: 41.276 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:41:31,160 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 59.427 -31877 6513.2 -38390 -38390 -3.3721 -5.0857 0.15795 1.6123e+05 2024-05-17 05:42:05,281 INFO [main.py:798]
{rank 0/64} MD step = 92400 step time: 00:00:00.340277 Performance: 41.275 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:42:14,767 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 92400 18480 60.585 -31820 6640.2 -38460 -38460 -3.3745 -5.0916 0.15668 1.614e+05 2024-05-17 05:42:50,163 INFO [main.py:798]
{rank 0/64} MD step = 92500 step time: 00:00:00.350381 Performance: 41.272 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 05:42:55,368 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 60.453 -31779 6625.7 -38404 -38404 -3.3807 -5.0974 0.15733 1.616e+05 2024-05-17 05:43:30,325 INFO [main.py:798]
{rank 0/64} MD step = 92600 step time: 00:00:00.352433 Performance: 41.274 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:43:35,728 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 59.821 -31912 6556.5 -38468 -38468 -3.3841 -5.1033 0.15779 1.6178e+05 2024-05-17 05:44:10,347 INFO [main.py:798]
{rank 0/64} MD step = 92700 step time: 00:00:00.352694 Performance: 41.276 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:44:15,530 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 92700 18540 59.974 -31912 6573.2 -38485 -38485 -3.3863 -5.1094 0.15884 1.6193e+05 2024-05-17 05:44:50,877 INFO [main.py:798]
{rank 0/64} MD step = 92800 step time: 00:00:00.362021 Performance: 41.277 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:44:56,948 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 60.507 -31741 6631.6 -38373 -38373 -3.3906 -5.1153 0.15887 1.6214e+05 2024-05-17 05:45:32,622 INFO [main.py:798]
{rank 0/64} MD step = 92900 step time: 00:00:00.376196 Performance: 41.277 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:45:40,051 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 92900 18580 60.346 -31761 6614 -38375 -38375 -3.3945 -5.122 0.15832 1.623e+05 2024-05-17 05:46:14,910 INFO [main.py:798]
{rank 0/64} MD step = 93000 step time: 00:00:00.350458 Performance: 41.277 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:46:19,780 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93000 18600 60.407 -31727 6620.7 -38348 -38348 -3.3988 -5.128 0.15875 1.6248e+05 2024-05-17 05:46:56,453 INFO [main.py:798]
{rank 0/64} MD step = 93100 step time: 00:00:00.363586 Performance: 41.277 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:47:05,114 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93100 18620 58.584 -31812 6420.9 -38233 -38233 -3.401 -5.1337 0.15866 1.6264e+05 2024-05-17 05:47:39,703 INFO [main.py:798]
{rank 0/64} MD step = 93200 step time: 00:00:00.355779 Performance: 41.276 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:47:46,891 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93200 18640 60.302 -31691 6609.2 -38300 -38300 -3.4035 -5.1388 0.15859 1.6279e+05 2024-05-17 05:48:21,450 INFO [main.py:798]
{rank 0/64} MD step = 93300 step time: 00:00:00.342797 Performance: 41.276 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:48:27,878 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93300 18660 59.498 -31814 6521 -38335 -38335 -3.4086 -5.1451 0.15896 1.6299e+05 2024-05-17 05:49:02,329 INFO [main.py:798]
{rank 0/64} MD step = 93400 step time: 00:00:00.347582 Performance: 41.277 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:49:08,748 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 59.413 -31900 6511.7 -38412 -38412 -3.4129 -5.1505 0.15993 1.6315e+05 2024-05-17 05:49:43,156 INFO [main.py:798]
{rank 0/64} MD step = 93500 step time: 00:00:00.355480 Performance: 41.278 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:49:50,256 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93500 18700 60.363 -31810 6615.9 -38426 -38426 -3.4159 -5.157 0.15999 1.6329e+05 2024-05-17 05:50:24,685 INFO [main.py:798]
{rank 0/64} MD step = 93600 step time: 00:00:00.354512 Performance: 41.278 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:50:29,920 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93600 18720 60.382 -31807 6617.9 -38425 -38425 -3.4182 -5.1635 0.16239 1.6348e+05 2024-05-17 05:51:04,662 INFO [main.py:798]
{rank 0/64} MD step = 93700 step time: 00:00:00.354723 Performance: 41.280 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:51:08,976 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 60.118 -31696 6589 -38285 -38285 -3.4222 -5.1706 0.16535 1.6367e+05 2024-05-17 05:51:45,618 INFO [main.py:798]
{rank 0/64} MD step = 93800 step time: 00:00:00.356066 Performance: 41.281 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:51:51,438 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93800 18760 60.022 -31829 6578.5 -38408 -38408 -3.4261 -5.1752 0.16517 1.6384e+05 2024-05-17 05:52:26,187 INFO [main.py:798]
{rank 0/64} MD step = 93900 step time: 00:00:00.351960 Performance: 41.282 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:52:32,195 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93900 18780 60.164 -31854 6594 -38448 -38448 -3.4288 -5.1791 0.1671 1.6402e+05 2024-05-17 05:53:06,998 INFO [main.py:798]
{rank 0/64} MD step = 94000 step time: 00:00:00.349314 Performance: 41.284 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:53:14,475 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 94000 18800 60.036 -31780 6580 -38360 -38360 -3.433 -5.1843 0.1672 1.6419e+05 2024-05-17 05:53:50,205 INFO [main.py:798]
{rank 0/64} MD step = 94100 step time: 00:00:00.362938 Performance: 41.282 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:54:01,658 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 60.259 -31669 6604.4 -38273 -38273 -3.437 -5.1913 0.1674 1.6434e+05 2024-05-17 05:54:36,768 INFO [main.py:798]
{rank 0/64} MD step = 94200 step time: 00:00:00.366706 Performance: 41.277 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:54:44,204 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 94200 18840 59.898 -31899 6564.9 -38464 -38464 -3.4413 -5.1968 0.16844 1.6451e+05 2024-05-17 05:55:18,433 INFO [main.py:798]
{rank 0/64} MD step = 94300 step time: 00:00:00.372084 Performance: 41.277 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:55:23,764 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 94300 18860 59.596 -31884 6531.8 -38415 -38415 -3.4447 -5.2031 0.16896 1.6471e+05 2024-05-17 05:55:57,868 INFO [main.py:798]
{rank 0/64} MD step = 94400 step time: 00:00:00.350695 Performance: 41.280 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:56:03,470 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 59.851 -31868 6559.7 -38428 -38428 -3.4474 -5.2101 0.16954 1.6488e+05 2024-05-17 05:56:37,382 INFO [main.py:798]
{rank 0/64} MD step = 94500 step time: 00:00:00.339851 Performance: 41.282 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:56:43,623 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 60.451 -31876 6625.5 -38501 -38501 -3.4485 -5.2158 0.17022 1.6508e+05 2024-05-17 05:57:18,795 INFO [main.py:798]
{rank 0/64} MD step = 94600 step time: 00:00:00.366274 Performance: 41.283 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:57:25,507 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 59.78 -31795 6552 -38347 -38347 -3.4515 -5.222 0.1706 1.653e+05 2024-05-17 05:57:59,754 INFO [main.py:798]
{rank 0/64} MD step = 94700 step time: 00:00:00.359522 Performance: 41.284 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:58:07,674 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 60.67 -31785 6649.5 -38434 -38434 -3.4552 -5.2285 0.17145 1.6547e+05 2024-05-17 05:58:42,713 INFO [main.py:798]
{rank 0/64} MD step = 94800 step time: 00:00:00.382629 Performance: 41.283 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:58:50,384 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 94800 18960 60.714 -31872 6654.4 -38526 -38526 -3.4599 -5.2356 0.17293 1.6563e+05 2024-05-17 05:59:25,089 INFO [main.py:798]
{rank 0/64} MD step = 94900 step time: 00:00:00.360299 Performance: 41.282 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 05:59:33,847 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 94900 18980 59.507 -31853 6522 -38375 -38375 -3.4631 -5.2406 0.17408 1.6583e+05 2024-05-17 06:00:10,494 INFO [main.py:798]
{rank 0/64} MD step = 95000 step time: 00:00:00.372374 Performance: 41.278 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 06:00:19,459 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 95000 19000 60.165 -31875 6594.1 -38469 -38469 -3.4662 -5.2476 0.17281 1.6596e+05 2024-05-17 06:00:55,432 INFO [main.py:798]
{rank 0/64} MD step = 95100 step time: 00:00:00.368975 Performance: 41.275 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 06:01:02,912 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 59.258 -31954 6494.8 -38449 -38449 -3.4704 -5.2535 0.17409 1.6611e+05 2024-05-17 06:01:39,197 INFO [main.py:798]
{rank 0/64} MD step = 95200 step time: 00:00:00.385866 Performance: 41.273 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 06:01:44,942 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 59.418 -31970 6512.3 -38482 -38482 -3.4727 -5.2587 0.17547 1.6629e+05 2024-05-17 06:02:19,471 INFO [main.py:798]
{rank 0/64} MD step = 95300 step time: 00:00:00.351933 Performance: 41.275 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 06:02:32,087 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 59.555 -32015 6527.3 -38543 -38543 -3.475 -5.2645 0.17741 1.6649e+05 2024-05-17 06:03:07,376 INFO [main.py:798]
{rank 0/64} MD step = 95400 step time: 00:00:00.337761 Performance: 41.269 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:03:17,142 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 60.211 -31780 6599.1 -38380 -38380 -3.4773 -5.2716 0.17779 1.6667e+05 2024-05-17 06:03:52,024 INFO [main.py:798]
{rank 0/64} MD step = 95500 step time: 00:00:00.333102 Performance: 41.266 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:03:56,733 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 59.704 -31821 6543.6 -38365 -38365 -3.4826 -5.2776 0.17991 1.6685e+05 2024-05-17 06:04:34,195 INFO [main.py:798]
{rank 0/64} MD step = 95600 step time: 00:00:00.325545 Performance: 41.266 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:04:41,531 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 95600 19120 60.455 -31727 6625.9 -38353 -38353 -3.4864 -5.2823 0.18188 1.6703e+05 2024-05-17 06:05:16,342 INFO [main.py:798]
{rank 0/64} MD step = 95700 step time: 00:00:00.326583 Performance: 41.265 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:05:24,040 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 59.866 -31815 6561.3 -38376 -38376 -3.4896 -5.2888 0.18336 1.6722e+05 2024-05-17 06:05:58,638 INFO [main.py:798]
{rank 0/64} MD step = 95800 step time: 00:00:00.350087 Performance: 41.265 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:06:04,554 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 95800 19160 59.583 -31984 6530.4 -38515 -38515 -3.4937 -5.294 0.18436 1.6737e+05 2024-05-17 06:06:38,500 INFO [main.py:798]
{rank 0/64} MD step = 95900 step time: 00:00:00.349966 Performance: 41.267 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:06:44,076 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 95900 19180 59.275 -32006 6496.6 -38503 -38503 -3.4993 -5.2992 0.18631 1.6756e+05 2024-05-17 06:07:19,541 INFO [main.py:798]
{rank 0/64} MD step = 96000 step time: 00:00:00.352667 Performance: 41.268 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:07:25,465 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 96000 19200 60.227 -31806 6600.9 -38407 -38407 -3.5023 -5.3069 0.18851 1.6778e+05 2024-05-17 06:08:00,299 INFO [main.py:798]
{rank 0/64} MD step = 96100 step time: 00:00:00.339710 Performance: 41.269 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:08:06,856 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 96100 19220 60.477 -31887 6628.3 -38515 -38515 -3.5055 -5.314 0.19018 1.6797e+05 2024-05-17 06:08:42,806 INFO [main.py:798]
{rank 0/64} MD step = 96200 step time: 00:00:00.376569 Performance: 41.268 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:08:49,319 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 60.334 -31952 6612.6 -38565 -38565 -3.5096 -5.3184 0.19136 1.6813e+05 2024-05-17 06:09:23,944 INFO [main.py:798]
{rank 0/64} MD step = 96300 step time: 00:00:00.347647 Performance: 41.269 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:09:29,702 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 58.797 -32227 6444.2 -38671 -38671 -3.5127 -5.3241 0.19043 1.6831e+05 2024-05-17 06:10:04,726 INFO [main.py:798]
{rank 0/64} MD step = 96400 step time: 00:00:00.352341 Performance: 41.270 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:10:09,998 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 59.59 -31904 6531.1 -38435 -38435 -3.5164 -5.3283 0.19007 1.6854e+05 2024-05-17 06:10:44,719 INFO [main.py:798]
{rank 0/64} MD step = 96500 step time: 00:00:00.333409 Performance: 41.272 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:10:49,947 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 96500 19300 60.16 -31889 6593.6 -38483 -38483 -3.5185 -5.3336 0.19173 1.687e+05 2024-05-17 06:11:25,352 INFO [main.py:798]
{rank 0/64} MD step = 96600 step time: 00:00:00.328490 Performance: 41.273 ns/day 0.581 hours/ns 2.388 steps/s 2024-05-17 06:11:38,034 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 96600 19320 59.455 -31867 6516.3 -38384 -38384 -3.5242 -5.3411 0.19325 1.6887e+05 2024-05-17 06:12:13,592 INFO [main.py:798]
{rank 0/64} MD step = 96700 step time: 00:00:00.346633 Performance: 41.267 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:12:20,419 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 59.949 -32015 6570.4 -38586 -38586 -3.5281 -5.3466 0.19358 1.6903e+05 2024-05-17 06:12:54,466 INFO [main.py:798]
{rank 0/64} MD step = 96800 step time: 00:00:00.349870 Performance: 41.268 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:13:02,750 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 96800 19360 60.535 -31887 6634.7 -38522 -38522 -3.5329 -5.3514 0.19333 1.6922e+05 2024-05-17 06:13:39,992 INFO [main.py:798]
{rank 0/64} MD step = 96900 step time: 00:00:00.348584 Performance: 41.264 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:13:47,433 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 96900 19380 58.821 -32189 6446.9 -38636 -38636 -3.5367 -5.3584 0.193 1.6936e+05 2024-05-17 06:14:23,052 INFO [main.py:798]
{rank 0/64} MD step = 97000 step time: 00:00:00.351758 Performance: 41.263 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:14:35,307 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97000 19400 60.144 -31917 6591.9 -38509 -38509 -3.5411 -5.3637 0.19129 1.6954e+05 2024-05-17 06:15:09,266 INFO [main.py:798]
{rank 0/64} MD step = 97100 step time: 00:00:00.340258 Performance: 41.258 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:15:14,617 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97100 19420 59.56 -32082 6527.8 -38609 -38609 -3.5445 -5.3707 0.19324 1.6971e+05 2024-05-17 06:15:49,717 INFO [main.py:798]
{rank 0/64} MD step = 97200 step time: 00:00:00.340882 Performance: 41.260 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:15:59,563 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97200 19440 59.611 -32083 6533.4 -38616 -38616 -3.5455 -5.3778 0.19475 1.6986e+05 2024-05-17 06:16:33,996 INFO [main.py:798]
{rank 0/64} MD step = 97300 step time: 00:00:00.349824 Performance: 41.258 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:16:38,934 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97300 19460 60.187 -31979 6596.6 -38575 -38575 -3.5482 -5.3835 0.1943 1.7004e+05 2024-05-17 06:17:14,322 INFO [main.py:798]
{rank 0/64} MD step = 97400 step time: 00:00:00.342004 Performance: 41.259 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:17:22,904 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 60.881 -31769 6672.6 -38441 -38441 -3.5524 -5.3888 0.19475 1.7023e+05 2024-05-17 06:17:58,873 INFO [main.py:798]
{rank 0/64} MD step = 97500 step time: 00:00:00.376527 Performance: 41.256 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:18:04,335 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97500 19500 60.367 -31971 6616.3 -38587 -38587 -3.556 -5.3933 0.19694 1.7035e+05 2024-05-17 06:18:38,153 INFO [main.py:798]
{rank 0/64} MD step = 97600 step time: 00:00:00.344683 Performance: 41.259 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:18:43,445 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 59.432 -31945 6513.8 -38459 -38459 -3.5592 -5.3999 0.19653 1.7055e+05 2024-05-17 06:19:19,755 INFO [main.py:798]
{rank 0/64} MD step = 97700 step time: 00:00:00.348481 Performance: 41.259 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:19:27,255 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97700 19540 58.927 -32113 6458.4 -38571 -38571 -3.5632 -5.4073 0.1978 1.7075e+05 2024-05-17 06:20:02,838 INFO [main.py:798]
{rank 0/64} MD step = 97800 step time: 00:00:00.368882 Performance: 41.258 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:20:09,018 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97800 19560 59.91 -31793 6566.2 -38359 -38359 -3.5672 -5.4127 0.20004 1.7093e+05 2024-05-17 06:20:43,287 INFO [main.py:798]
{rank 0/64} MD step = 97900 step time: 00:00:00.345529 Performance: 41.260 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:20:48,963 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97900 19580 60.322 -31705 6611.3 -38316 -38316 -3.5707 -5.4162 0.20164 1.7109e+05 2024-05-17 06:21:23,404 INFO [main.py:798]
{rank 0/64} MD step = 98000 step time: 00:00:00.338766 Performance: 41.261 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:21:30,298 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98000 19600 59.102 -31980 6477.6 -38458 -38458 -3.574 -5.4216 0.20177 1.7129e+05 2024-05-17 06:22:04,464 INFO [main.py:798]
{rank 0/64} MD step = 98100 step time: 00:00:00.336357 Performance: 41.262 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:22:12,759 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98100 19620 59.656 -31939 6538.4 -38477 -38477 -3.5782 -5.4278 0.20252 1.7147e+05 2024-05-17 06:22:47,864 INFO [main.py:798]
{rank 0/64} MD step = 98200 step time: 00:00:00.380772 Performance: 41.261 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:22:55,485 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 60.772 -31884 6660.7 -38545 -38545 -3.5824 -5.4336 0.20252 1.7164e+05 2024-05-17 06:23:30,669 INFO [main.py:798]
{rank 0/64} MD step = 98300 step time: 00:00:00.366295 Performance: 41.260 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:23:36,292 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98300 19660 60.553 -31772 6636.7 -38409 -38409 -3.5858 -5.4395 0.20359 1.7184e+05 2024-05-17 06:24:11,497 INFO [main.py:798]
{rank 0/64} MD step = 98400 step time: 00:00:00.349298 Performance: 41.261 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:24:17,510 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98400 19680 59.835 -31768 6558 -38326 -38326 -3.5895 -5.4449 0.20329 1.7207e+05 2024-05-17 06:24:52,103 INFO [main.py:798]
{rank 0/64} MD step = 98500 step time: 00:00:00.356441 Performance: 41.262 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:24:57,212 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98500 19700 60.157 -31859 6593.3 -38452 -38452 -3.5933 -5.4506 0.20446 1.7224e+05 2024-05-17 06:25:31,836 INFO [main.py:798]
{rank 0/64} MD step = 98600 step time: 00:00:00.358466 Performance: 41.264 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:25:37,887 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98600 19720 59.408 -31924 6511.2 -38435 -38435 -3.5976 -5.455 0.20495 1.7242e+05 2024-05-17 06:26:12,485 INFO [main.py:798]
{rank 0/64} MD step = 98700 step time: 00:00:00.385885 Performance: 41.265 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:26:17,541 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98700 19740 59.686 -31826 6541.6 -38367 -38367 -3.5999 -5.4608 0.20642 1.7258e+05 2024-05-17 06:26:51,542 INFO [main.py:798]
{rank 0/64} MD step = 98800 step time: 00:00:00.350548 Performance: 41.268 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:26:57,356 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98800 19760 60.198 -31965 6597.7 -38563 -38563 -3.6048 -5.4679 0.20741 1.7274e+05 2024-05-17 06:27:33,355 INFO [main.py:798]
{rank 0/64} MD step = 98900 step time: 00:00:00.346261 Performance: 41.268 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:27:46,964 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98900 19780 59.296 -31950 6498.9 -38449 -38449 -3.6085 -5.4734 0.20888 1.7288e+05 2024-05-17 06:28:23,054 INFO [main.py:798]
{rank 0/64} MD step = 99000 step time: 00:00:00.372899 Performance: 41.260 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:28:33,878 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99000 19800 60.66 -31932 6648.4 -38580 -38580 -3.6128 -5.4799 0.20911 1.7303e+05 2024-05-17 06:29:08,577 INFO [main.py:798]
{rank 0/64} MD step = 99100 step time: 00:00:00.352959 Performance: 41.257 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:29:14,773 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99100 19820 60.515 -31795 6632.5 -38427 -38427 -3.6171 -5.4849 0.21013 1.7321e+05 2024-05-17 06:29:49,462 INFO [main.py:798]
{rank 0/64} MD step = 99200 step time: 00:00:00.355766 Performance: 41.258 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:29:55,492 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99200 19840 60.114 -31750 6588.6 -38338 -38338 -3.6218 -5.4904 0.20984 1.734e+05 2024-05-17 06:30:30,126 INFO [main.py:798]
{rank 0/64} MD step = 99300 step time: 00:00:00.355285 Performance: 41.259 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:30:37,939 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99300 19860 59.407 -32071 6511.1 -38582 -38582 -3.6259 -5.4947 0.20963 1.7355e+05 2024-05-17 06:31:12,312 INFO [main.py:798]
{rank 0/64} MD step = 99400 step time: 00:00:00.350100 Performance: 41.259 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:31:18,306 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99400 19880 59.877 -31841 6562.6 -38404 -38404 -3.629 -5.5 0.21013 1.7379e+05 2024-05-17 06:31:52,785 INFO [main.py:798]
{rank 0/64} MD step = 99500 step time: 00:00:00.347867 Performance: 41.260 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:31:58,750 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99500 19900 60.609 -31863 6642.8 -38506 -38506 -3.6326 -5.507 0.21132 1.739e+05 2024-05-17 06:32:32,902 INFO [main.py:798]
{rank 0/64} MD step = 99600 step time: 00:00:00.350857 Performance: 41.262 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:32:38,190 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99600 19920 59.646 -32022 6537.3 -38560 -38560 -3.6361 -5.5138 0.21296 1.7409e+05 2024-05-17 06:33:14,339 INFO [main.py:798]
{rank 0/64} MD step = 99700 step time: 00:00:00.351308 Performance: 41.262 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:33:20,220 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99700 19940 59.179 -31923 6486 -38409 -38409 -3.6386 -5.5204 0.21468 1.7428e+05 2024-05-17 06:33:55,030 INFO [main.py:798]
{rank 0/64} MD step = 99800 step time: 00:00:00.376666 Performance: 41.263 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:34:00,531 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99800 19960 59.176 -31910 6485.8 -38396 -38396 -3.6424 -5.526 0.21588 1.7447e+05 2024-05-17 06:34:34,896 INFO [main.py:798]
{rank 0/64} MD step = 99900 step time: 00:00:00.341322 Performance: 41.265 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:34:39,922 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 59.793 -31838 6553.4 -38392 -38392 -3.6464 -5.5308 0.21672 1.7465e+05 2024-05-17 06:35:16,224 INFO [main.py:798]
{rank 0/64} MD step = 100000 step time: 00:00:00.344089 Performance: 41.266 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:35:22,592 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 60.401 -31936 6620 -38556 -38556 -3.6503 -5.5368 0.21788 1.748e+05 2024-05-17 06:35:57,362 INFO [main.py:798]
{rank 0/64} MD step = 100100 step time: 00:00:00.346577 Performance: 41.267 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:36:06,066 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 60.46 -31782 6626.5 -38408 -38408 -3.6543 -5.5427 0.21933 1.75e+05 2024-05-17 06:36:40,872 INFO [main.py:798]
{rank 0/64} MD step = 100200 step time: 00:00:00.367509 Performance: 41.265 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:36:48,618 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100200 20040 60.406 -31819 6620.6 -38439 -38439 -3.6563 -5.5472 0.22093 1.7516e+05 2024-05-17 06:37:22,561 INFO [main.py:798]
{rank 0/64} MD step = 100300 step time: 00:00:00.333930 Performance: 41.265 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:37:26,798 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 60.01 -31788 6577.2 -38366 -38366 -3.6596 -5.5521 0.22104 1.7534e+05 2024-05-17 06:38:03,879 INFO [main.py:798]
{rank 0/64} MD step = 100400 step time: 00:00:01.346039 Performance: 41.266 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:38:15,153 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100400 20080 59.751 -31896 6548.8 -38445 -38445 -3.6643 -5.5579 0.22058 1.7551e+05 2024-05-17 06:38:49,872 INFO [main.py:798]
{rank 0/64} MD step = 100500 step time: 00:00:00.341132 Performance: 41.262 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:38:55,768 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100500 20100 60.296 -31809 6608.5 -38417 -38417 -3.669 -5.5644 0.2208 1.7569e+05 2024-05-17 06:39:29,800 INFO [main.py:798]
{rank 0/64} MD step = 100600 step time: 00:00:00.338127 Performance: 41.264 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:39:35,518 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100600 20120 59.326 -31829 6502.2 -38331 -38331 -3.6717 -5.5704 0.22103 1.7588e+05 2024-05-17 06:40:11,419 INFO [main.py:798]
{rank 0/64} MD step = 100700 step time: 00:00:00.370436 Performance: 41.264 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:40:17,238 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 60.54 -31772 6635.2 -38407 -38407 -3.675 -5.5763 0.2221 1.7604e+05 2024-05-17 06:40:52,487 INFO [main.py:798]
{rank 0/64} MD step = 100800 step time: 00:00:00.355959 Performance: 41.265 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:40:58,397 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100800 20160 60.192 -31833 6597.1 -38430 -38430 -3.679 -5.5824 0.22352 1.7622e+05 2024-05-17 06:41:32,750 INFO [main.py:798]
{rank 0/64} MD step = 100900 step time: 00:00:00.347326 Performance: 41.266 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:41:39,200 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100900 20180 59.805 -31932 6554.7 -38487 -38487 -3.683 -5.5871 0.22356 1.7638e+05 2024-05-17 06:42:14,133 INFO [main.py:798]
{rank 0/64} MD step = 101000 step time: 00:00:00.354409 Performance: 41.267 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:42:20,979 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 60.037 -31767 6580.1 -38347 -38347 -3.6868 -5.592 0.22388 1.7658e+05 2024-05-17 06:42:58,019 INFO [main.py:798]
{rank 0/64} MD step = 101100 step time: 00:00:00.360224 Performance: 41.265 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:43:06,117 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 101100 20220 60.513 -31850 6632.3 -38482 -38482 -3.6901 -5.5973 0.22455 1.7672e+05 2024-05-17 06:43:43,035 INFO [main.py:798]
{rank 0/64} MD step = 101200 step time: 00:00:00.331725 Performance: 41.262 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:43:49,634 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 59.497 -31879 6520.9 -38400 -38400 -3.6943 -5.6026 0.22515 1.7692e+05 2024-05-17 06:44:25,162 INFO [main.py:798]
{rank 0/64} MD step = 101300 step time: 00:00:00.327498 Performance: 41.262 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:44:33,385 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 101300 20260 59.152 -31906 6483.2 -38390 -38390 -3.6995 -5.6082 0.22558 1.771e+05 2024-05-17 06:45:09,709 INFO [main.py:798]
{rank 0/64} MD step = 101400 step time: 00:00:00.353561 Performance: 41.259 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:45:15,055 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 59.707 -31950 6543.9 -38494 -38494 -3.7042 -5.6152 0.22668 1.7726e+05 2024-05-17 06:45:49,356 INFO [main.py:798]
{rank 0/64} MD step = 101500 step time: 00:00:00.327042 Performance: 41.261 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 06:46:20,981 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 60.377 -31898 6617.4 -38515 -38515 -3.7084 -5.6213 0.22811 1.7742e+05 2024-05-17 06:46:55,200 INFO [main.py:798]
{rank 0/64} MD step = 101600 step time: 00:00:00.340755 Performance: 41.238 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 06:47:00,817 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 101600 20320 59.831 -31962 6557.6 -38519 -38519 -3.712 -5.6259 0.23005 1.7758e+05 2024-05-17 06:47:35,654 INFO [main.py:798]
{rank 0/64} MD step = 101700 step time: 00:00:00.352062 Performance: 41.239 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 06:47:41,369 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 101700 20340 59.238 -31984 6492.6 -38476 -38476 -3.7142 -5.631 0.22997 1.7774e+05 2024-05-17 06:48:16,027 INFO [main.py:798]
{rank 0/64} MD step = 101800 step time: 00:00:00.357441 Performance: 41.241 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 06:48:21,480 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 60.762 -31693 6659.6 -38353 -38353 -3.7183 -5.636 0.23226 1.779e+05 2024-05-17 06:48:56,603 INFO [main.py:798]
{rank 0/64} MD step = 101900 step time: 00:00:00.360689 Performance: 41.242 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 06:49:02,945 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 60.164 -32031 6594.1 -38625 -38625 -3.7212 -5.6404 0.23294 1.7807e+05 2024-05-17 06:49:37,272 INFO [main.py:798]
{rank 0/64} MD step = 102000 step time: 00:00:00.355480 Performance: 41.243 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 06:49:42,785 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 102000 20400 59.863 -32046 6561 -38607 -38607 -3.725 -5.6467 0.23121 1.7822e+05 2024-05-17 06:50:18,869 INFO [main.py:798]
{rank 0/64} MD step = 102100 step time: 00:00:00.351759 Performance: 41.244 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 06:50:24,640 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 59.906 -32028 6565.7 -38594 -38594 -3.7286 -5.6523 0.23166 1.7843e+05 2024-05-17 06:50:59,467 INFO [main.py:798]
{rank 0/64} MD step = 102200 step time: 00:00:00.358639 Performance: 41.245 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 06:51:04,426 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 59.56 -31877 6527.8 -38405 -38405 -3.7314 -5.6594 0.2303 1.7865e+05 2024-05-17 06:51:39,626 INFO [main.py:798]
{rank 0/64} MD step = 102300 step time: 00:00:00.355386 Performance: 41.246 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 06:51:46,901 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 59.762 -32007 6550 -38557 -38557 -3.7356 -5.6655 0.23175 1.7879e+05 2024-05-17 06:52:21,483 INFO [main.py:798]
{rank 0/64} MD step = 102400 step time: 00:00:00.352453 Performance: 41.247 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 06:52:29,543 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 60.702 -31857 6653 -38510 -38510 -3.7404 -5.6714 0.23178 1.7896e+05 2024-05-17 06:53:04,607 INFO [main.py:798]
{rank 0/64} MD step = 102500 step time: 00:00:00.355397 Performance: 41.245 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 06:53:12,137 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 102500 20500 59.486 -31991 6519.7 -38511 -38511 -3.745 -5.6785 0.23098 1.7914e+05 2024-05-17 06:53:47,319 INFO [main.py:798]
{rank 0/64} MD step = 102600 step time: 00:00:00.388293 Performance: 41.245 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 06:53:57,331 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 102600 20520 60.533 -31800 6634.5 -38435 -38435 -3.7482 -5.6857 0.23293 1.7931e+05 2024-05-17 06:54:32,182 INFO [main.py:798]
{rank 0/64} MD step = 102700 step time: 00:00:00.335265 Performance: 41.242 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 06:54:37,103 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 59.981 -31860 6574 -38434 -38434 -3.7527 -5.6923 0.23417 1.7948e+05 2024-05-17 06:55:12,858 INFO [main.py:798]
{rank 0/64} MD step = 102800 step time: 00:00:00.355259 Performance: 41.243 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 06:55:18,651 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 59.611 -31911 6533.5 -38445 -38445 -3.756 -5.6979 0.23428 1.7963e+05 2024-05-17 06:55:53,675 INFO [main.py:798]
{rank 0/64} MD step = 102900 step time: 00:00:00.380471 Performance: 41.244 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 06:55:58,742 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 60.783 -31754 6661.9 -38416 -38416 -3.7586 -5.7044 0.23436 1.7982e+05 2024-05-17 06:56:35,051 INFO [main.py:798]
{rank 0/64} MD step = 103000 step time: 00:00:00.350349 Performance: 41.244 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 06:56:40,787 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 60.133 -31824 6590.6 -38415 -38415 -3.7619 -5.7087 0.23475 1.8e+05 2024-05-17 06:57:14,928 INFO [main.py:798]
{rank 0/64} MD step = 103100 step time: 00:00:00.347145 Performance: 41.246 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 06:57:20,175 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 103100 20620 60.89 -31784 6673.6 -38457 -38457 -3.7657 -5.7158 0.23624 1.8017e+05 2024-05-17 06:57:55,025 INFO [main.py:798]
{rank 0/64} MD step = 103200 step time: 00:00:00.348059 Performance: 41.248 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 06:58:00,830 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 60.378 -31926 6617.5 -38544 -38544 -3.767 -5.7224 0.23689 1.8033e+05 2024-05-17 06:58:35,283 INFO [main.py:798]
{rank 0/64} MD step = 103300 step time: 00:00:00.336579 Performance: 41.250 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 06:58:42,124 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 103300 20660 59.71 -31962 6544.3 -38507 -38507 -3.7709 -5.7291 0.23811 1.8053e+05 2024-05-17 06:59:16,806 INFO [main.py:798]
{rank 0/64} MD step = 103400 step time: 00:00:00.384076 Performance: 41.250 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 06:59:24,203 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 103400 20680 59.725 -31912 6545.9 -38458 -38458 -3.7732 -5.7355 0.23882 1.8071e+05 2024-05-17 06:59:58,290 INFO [main.py:798]
{rank 0/64} MD step = 103500 step time: 00:00:00.336317 Performance: 41.250 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:00:07,614 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 60.646 -31740 6646.9 -38387 -38387 -3.7771 -5.7422 0.23836 1.809e+05 2024-05-17 07:00:42,268 INFO [main.py:798]
{rank 0/64} MD step = 103600 step time: 00:00:00.361623 Performance: 41.248 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:00:49,863 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 103600 20720 59.679 -31940 6540.9 -38481 -38481 -3.7801 -5.7481 0.23856 1.8108e+05 2024-05-17 07:01:23,708 INFO [main.py:798]
{rank 0/64} MD step = 103700 step time: 00:00:00.340813 Performance: 41.249 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:01:29,224 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 59.435 -31936 6514.1 -38450 -38450 -3.7854 -5.7531 0.23698 1.8123e+05 2024-05-17 07:02:03,873 INFO [main.py:798]
{rank 0/64} MD step = 103800 step time: 00:00:00.338676 Performance: 41.250 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:02:09,066 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 59.77 -31936 6550.9 -38487 -38487 -3.7891 -5.761 0.2367 1.8138e+05 2024-05-17 07:02:43,674 INFO [main.py:798]
{rank 0/64} MD step = 103900 step time: 00:00:00.361532 Performance: 41.252 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:02:49,054 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 59.563 -31893 6528.1 -38421 -38421 -3.7935 -5.7666 0.23748 1.8158e+05 2024-05-17 07:03:23,241 INFO [main.py:798]
{rank 0/64} MD step = 104000 step time: 00:00:00.339749 Performance: 41.255 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:03:31,427 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104000 20800 60.322 -31895 6611.3 -38507 -38507 -3.7987 -5.7719 0.23841 1.8171e+05 2024-05-17 07:04:06,169 INFO [main.py:798]
{rank 0/64} MD step = 104100 step time: 00:00:00.356017 Performance: 41.254 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:04:11,206 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104100 20820 59.811 -31928 6555.4 -38483 -38483 -3.8017 -5.7775 0.23971 1.8184e+05 2024-05-17 07:04:45,757 INFO [main.py:798]
{rank 0/64} MD step = 104200 step time: 00:00:00.342524 Performance: 41.256 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:04:52,050 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104200 20840 59.909 -31856 6566.1 -38422 -38422 -3.8057 -5.7818 0.23902 1.8204e+05 2024-05-17 07:05:26,742 INFO [main.py:798]
{rank 0/64} MD step = 104300 step time: 00:00:00.350018 Performance: 41.257 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 07:05:31,892 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104300 20860 59.847 -31806 6559.3 -38366 -38366 -3.809 -5.7874 0.23967 1.8223e+05 2024-05-17 07:06:07,893 INFO [main.py:798]
{rank 0/64} MD step = 104400 step time: 00:00:00.350558 Performance: 41.257 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 07:06:15,928 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 60.388 -31849 6618.6 -38468 -38468 -3.8136 -5.7943 0.24041 1.8238e+05 2024-05-17 07:06:50,718 INFO [main.py:798]
{rank 0/64} MD step = 104500 step time: 00:00:00.353798 Performance: 41.256 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 07:06:59,960 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 60.602 -31729 6642 -38371 -38371 -3.8166 -5.7992 0.24279 1.8258e+05 2024-05-17 07:07:34,029 INFO [main.py:798]
{rank 0/64} MD step = 104600 step time: 00:00:00.354188 Performance: 41.255 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:07:40,272 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104600 20920 60.072 -31836 6584 -38420 -38420 -3.8209 -5.8041 0.2431 1.8278e+05 2024-05-17 07:08:15,181 INFO [main.py:798]
{rank 0/64} MD step = 104700 step time: 00:00:00.375678 Performance: 41.256 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:08:33,407 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 59.842 -31674 6558.7 -38233 -38233 -3.8237 -5.8098 0.24329 1.8298e+05 2024-05-17 07:09:09,340 INFO [main.py:798]
{rank 0/64} MD step = 104800 step time: 00:00:00.359933 Performance: 41.244 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:09:28,262 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104800 20960 60.555 -31627 6636.9 -38263 -38263 -3.8266 -5.8161 0.24236 1.8316e+05 2024-05-17 07:10:02,672 INFO [main.py:798]
{rank 0/64} MD step = 104900 step time: 00:00:00.342110 Performance: 41.234 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 07:10:10,479 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104900 20980 60.081 -31707 6585 -38292 -38292 -3.8287 -5.8218 0.24197 1.8328e+05 2024-05-17 07:10:48,643 INFO [main.py:798]
{rank 0/64} MD step = 105000 step time: 00:00:00.342308 Performance: 41.230 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 07:10:54,137 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 60.483 -31883 6629.1 -38512 -38512 -3.8314 -5.8286 0.24167 1.8345e+05 2024-05-17 07:11:28,880 INFO [main.py:798]
{rank 0/64} MD step = 105100 step time: 00:00:00.353554 Performance: 41.231 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 07:11:34,164 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 60.115 -31730 6588.7 -38318 -38318 -3.8347 -5.8363 0.24051 1.8367e+05 2024-05-17 07:12:09,547 INFO [main.py:798]
{rank 0/64} MD step = 105200 step time: 00:00:00.358272 Performance: 41.232 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 07:12:15,123 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 105200 21040 59.843 -31844 6558.8 -38402 -38402 -3.837 -5.8432 0.24048 1.8379e+05 2024-05-17 07:12:50,350 INFO [main.py:798]
{rank 0/64} MD step = 105300 step time: 00:00:00.349012 Performance: 41.233 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 07:12:56,418 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 105300 21060 60.443 -31818 6624.6 -38443 -38443 -3.8427 -5.8491 0.24026 1.8397e+05 2024-05-17 07:13:30,967 INFO [main.py:798]
{rank 0/64} MD step = 105400 step time: 00:00:00.360790 Performance: 41.235 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 07:13:36,369 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 60.321 -31819 6611.3 -38430 -38430 -3.8457 -5.8554 0.23914 1.8419e+05 2024-05-17 07:14:10,527 INFO [main.py:798]
{rank 0/64} MD step = 105500 step time: 00:00:00.361232 Performance: 41.237 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 07:14:17,454 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 60.746 -31660 6657.8 -38317 -38317 -3.8492 -5.861 0.24019 1.844e+05 2024-05-17 07:14:51,870 INFO [main.py:798]
{rank 0/64} MD step = 105600 step time: 00:00:00.350349 Performance: 41.237 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 07:15:06,387 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 58.886 -31993 6454 -38447 -38447 -3.8524 -5.8662 0.24131 1.8455e+05 2024-05-17 07:15:40,652 INFO [main.py:798]
{rank 0/64} MD step = 105700 step time: 00:00:00.348725 Performance: 41.231 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 07:15:47,759 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 105700 21140 59.782 -31849 6552.2 -38401 -38401 -3.8554 -5.8706 0.2422 1.8475e+05 2024-05-17 07:16:22,766 INFO [main.py:798]
{rank 0/64} MD step = 105800 step time: 00:00:00.351155 Performance: 41.231 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 07:16:34,075 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 105800 21160 60.371 -31756 6616.8 -38373 -38373 -3.8598 -5.8752 0.24249 1.8493e+05 2024-05-17 07:17:08,233 INFO [main.py:798]
{rank 0/64} MD step = 105900 step time: 00:00:00.342331 Performance: 41.228 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 07:17:13,712 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 60.532 -31908 6634.3 -38542 -38542 -3.8629 -5.8787 0.24152 1.8506e+05 2024-05-17 07:17:48,009 INFO [main.py:798]
{rank 0/64} MD step = 106000 step time: 00:00:00.352889 Performance: 41.229 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 07:17:53,057 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106000 21200 59.667 -31910 6539.6 -38450 -38450 -3.8664 -5.8846 0.24087 1.8527e+05 2024-05-17 07:18:27,402 INFO [main.py:798]
{rank 0/64} MD step = 106100 step time: 00:00:00.349740 Performance: 41.232 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 07:18:33,388 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106100 21220 61.081 -31788 6694.6 -38482 -38482 -3.8701 -5.8917 0.24081 1.8545e+05 2024-05-17 07:19:07,818 INFO [main.py:798]
{rank 0/64} MD step = 106200 step time: 00:00:00.336411 Performance: 41.233 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 07:19:13,644 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 59.97 -31848 6572.8 -38421 -38421 -3.8728 -5.8982 0.23992 1.8562e+05 2024-05-17 07:19:47,849 INFO [main.py:798]
{rank 0/64} MD step = 106300 step time: 00:00:00.341159 Performance: 41.235 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 07:19:52,642 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106300 21260 59.896 -31797 6564.7 -38361 -38361 -3.8747 -5.9029 0.23975 1.8581e+05 2024-05-17 07:20:27,522 INFO [main.py:798]
{rank 0/64} MD step = 106400 step time: 00:00:00.365002 Performance: 41.237 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 07:20:32,770 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106400 21280 60.606 -31882 6642.5 -38525 -38525 -3.8782 -5.908 0.23929 1.8599e+05 2024-05-17 07:21:07,364 INFO [main.py:798]
{rank 0/64} MD step = 106500 step time: 00:00:00.339850 Performance: 41.239 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:21:12,331 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 61.229 -31850 6710.7 -38560 -38560 -3.8796 -5.9128 0.23933 1.8614e+05 2024-05-17 07:21:46,625 INFO [main.py:798]
{rank 0/64} MD step = 106600 step time: 00:00:00.361395 Performance: 41.241 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:21:51,598 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 60.454 -31808 6625.9 -38434 -38434 -3.8831 -5.9174 0.24222 1.8636e+05 2024-05-17 07:22:27,859 INFO [main.py:798]
{rank 0/64} MD step = 106700 step time: 00:00:00.352664 Performance: 41.242 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:22:33,488 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106700 21340 59.403 -32131 6510.6 -38642 -38642 -3.8881 -5.9242 0.24199 1.8649e+05 2024-05-17 07:23:11,874 INFO [main.py:798]
{rank 0/64} MD step = 106800 step time: 00:00:00.339662 Performance: 41.240 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:23:17,323 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106800 21360 60.59 -31923 6640.8 -38564 -38564 -3.8923 -5.93 0.24245 1.8667e+05 2024-05-17 07:23:51,303 INFO [main.py:798]
{rank 0/64} MD step = 106900 step time: 00:00:00.343207 Performance: 41.242 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:23:57,215 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 59.887 -32011 6563.7 -38575 -38575 -3.8958 -5.9353 0.24387 1.8682e+05 2024-05-17 07:24:31,588 INFO [main.py:798]
{rank 0/64} MD step = 107000 step time: 00:00:00.339930 Performance: 41.244 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:24:37,858 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 60.147 -31976 6592.2 -38569 -38569 -3.8991 -5.9419 0.24531 1.8699e+05 2024-05-17 07:25:12,543 INFO [main.py:798]
{rank 0/64} MD step = 107100 step time: 00:00:00.357333 Performance: 41.245 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:25:23,959 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 59.583 -31962 6530.3 -38492 -38492 -3.9017 -5.9477 0.24586 1.8719e+05 2024-05-17 07:25:59,281 INFO [main.py:798]
{rank 0/64} MD step = 107200 step time: 00:00:00.380916 Performance: 41.240 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:26:04,540 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 107200 21440 60.707 -31996 6653.6 -38650 -38650 -3.9036 -5.9555 0.24761 1.8734e+05 2024-05-17 07:26:40,912 INFO [main.py:798]
{rank 0/64} MD step = 107300 step time: 00:00:00.352257 Performance: 41.240 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:26:46,166 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 59.881 -31966 6563.1 -38529 -38529 -3.9057 -5.962 0.24986 1.8753e+05 2024-05-17 07:27:20,832 INFO [main.py:798]
{rank 0/64} MD step = 107400 step time: 00:00:00.348123 Performance: 41.242 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:27:27,884 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 60.186 -31865 6596.4 -38461 -38461 -3.9089 -5.9682 0.25136 1.8772e+05 2024-05-17 07:28:02,091 INFO [main.py:798]
{rank 0/64} MD step = 107500 step time: 00:00:00.343048 Performance: 41.243 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:28:09,848 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 107500 21500 59.507 -31809 6522 -38331 -38331 -3.9129 -5.9741 0.2521 1.8794e+05 2024-05-17 07:28:45,437 INFO [main.py:798]
{rank 0/64} MD step = 107600 step time: 00:00:00.351873 Performance: 41.242 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:28:52,819 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 107600 21520 59.579 -31831 6530 -38361 -38361 -3.9164 -5.9802 0.25307 1.8809e+05 2024-05-17 07:29:28,751 INFO [main.py:798]
{rank 0/64} MD step = 107700 step time: 00:00:00.343917 Performance: 41.240 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:29:33,275 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 107700 21540 60.196 -31892 6597.6 -38489 -38489 -3.919 -5.9878 0.25224 1.8825e+05 2024-05-17 07:30:09,254 INFO [main.py:798]
{rank 0/64} MD step = 107800 step time: 00:00:00.369078 Performance: 41.242 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:30:15,154 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 107800 21560 59.985 -31941 6574.5 -38515 -38515 -3.9226 -5.9938 0.25121 1.8845e+05 2024-05-17 07:30:50,022 INFO [main.py:798]
{rank 0/64} MD step = 107900 step time: 00:00:00.351670 Performance: 41.243 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:30:56,070 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 107900 21580 60.321 -31904 6611.2 -38515 -38515 -3.9259 -6.0008 0.25097 1.8861e+05 2024-05-17 07:31:30,684 INFO [main.py:798]
{rank 0/64} MD step = 108000 step time: 00:00:00.352873 Performance: 41.244 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:31:36,953 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 108000 21600 60.284 -31890 6607.2 -38498 -38498 -3.9294 -6.0066 0.25234 1.8879e+05 2024-05-17 07:32:11,592 INFO [main.py:798]
{rank 0/64} MD step = 108100 step time: 00:00:00.355233 Performance: 41.245 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:32:18,407 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 108100 21620 59.682 -32012 6541.2 -38554 -38554 -3.9335 -6.0133 0.25334 1.8898e+05 2024-05-17 07:32:53,877 INFO [main.py:798]
{rank 0/64} MD step = 108200 step time: 00:00:00.349593 Performance: 41.244 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:33:01,773 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 59.798 -31969 6553.9 -38523 -38523 -3.9374 -6.0192 0.254 1.8917e+05 2024-05-17 07:33:36,292 INFO [main.py:798]
{rank 0/64} MD step = 108300 step time: 00:00:00.353748 Performance: 41.244 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:33:44,932 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 108300 21660 61.094 -31845 6696 -38541 -38541 -3.9404 -6.0238 0.25337 1.8935e+05 2024-05-17 07:34:19,827 INFO [main.py:798]
{rank 0/64} MD step = 108400 step time: 00:00:00.339952 Performance: 41.242 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:34:30,733 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 59.939 -31905 6569.4 -38474 -38474 -3.9445 -6.0296 0.2547 1.8952e+05 2024-05-17 07:35:04,933 INFO [main.py:798]
{rank 0/64} MD step = 108500 step time: 00:00:00.351441 Performance: 41.239 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:35:11,751 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 59.696 -32033 6542.7 -38576 -38576 -3.9467 -6.0344 0.25331 1.897e+05 2024-05-17 07:35:46,835 INFO [main.py:798]
{rank 0/64} MD step = 108600 step time: 00:00:00.351603 Performance: 41.239 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:35:51,798 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 108600 21720 58.596 -32099 6422.1 -38521 -38521 -3.9497 -6.041 0.25401 1.8986e+05 2024-05-17 07:36:26,071 INFO [main.py:798]
{rank 0/64} MD step = 108700 step time: 00:00:00.349573 Performance: 41.242 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:36:31,330 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 59.66 -32006 6538.9 -38545 -38545 -3.9518 -6.0474 0.25406 1.9004e+05 2024-05-17 07:37:05,953 INFO [main.py:798]
{rank 0/64} MD step = 108800 step time: 00:00:00.341880 Performance: 41.244 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:37:09,704 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 108800 21760 60.165 -32045 6594.2 -38639 -38639 -3.9568 -6.053 0.2534 1.9022e+05 2024-05-17 07:37:45,817 INFO [main.py:798]
{rank 0/64} MD step = 108900 step time: 00:00:00.335097 Performance: 41.245 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:37:53,528 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 108900 21780 60.848 -31758 6669 -38427 -38427 -3.9607 -6.0603 0.25357 1.9039e+05 2024-05-17 07:38:28,921 INFO [main.py:798]
{rank 0/64} MD step = 109000 step time: 00:00:00.386756 Performance: 41.244 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:38:35,222 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 60.778 -31877 6661.3 -38539 -38539 -3.9665 -6.0662 0.25379 1.9057e+05 2024-05-17 07:39:09,654 INFO [main.py:798]
{rank 0/64} MD step = 109100 step time: 00:00:00.354503 Performance: 41.245 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:39:14,751 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 58.73 -32016 6436.9 -38452 -38452 -3.9702 -6.0716 0.25285 1.9076e+05 2024-05-17 07:39:50,873 INFO [main.py:798]
{rank 0/64} MD step = 109200 step time: 00:00:00.373146 Performance: 41.246 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:39:56,311 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 59.599 -31935 6532.1 -38467 -38467 -3.9745 -6.0774 0.25337 1.9093e+05 2024-05-17 07:40:30,843 INFO [main.py:798]
{rank 0/64} MD step = 109300 step time: 00:00:00.364519 Performance: 41.248 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:40:39,373 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 109300 21860 59.737 -31938 6547.2 -38485 -38485 -3.9793 -6.0815 0.25356 1.9111e+05 2024-05-17 07:41:15,118 INFO [main.py:798]
{rank 0/64} MD step = 109400 step time: 00:00:00.369120 Performance: 41.246 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:41:24,665 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 109400 21880 59.798 -31835 6553.9 -38389 -38389 -3.9838 -6.0872 0.25441 1.9127e+05 2024-05-17 07:41:59,466 INFO [main.py:798]
{rank 0/64} MD step = 109500 step time: 00:00:00.341338 Performance: 41.243 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:42:04,829 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 109500 21900 60.987 -31814 6684.3 -38498 -38498 -3.9877 -6.0922 0.25411 1.9143e+05 2024-05-17 07:42:40,519 INFO [main.py:798]
{rank 0/64} MD step = 109600 step time: 00:00:00.341503 Performance: 41.244 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:42:48,547 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 109600 21920 59.689 -31930 6542 -38472 -38472 -3.9916 -6.0972 0.2554 1.9161e+05 2024-05-17 07:43:22,839 INFO [main.py:798]
{rank 0/64} MD step = 109700 step time: 00:00:00.332826 Performance: 41.244 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:43:29,672 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 109700 21940 59.937 -31918 6569.1 -38487 -38487 -3.9942 -6.1037 0.25675 1.918e+05 2024-05-17 07:44:05,260 INFO [main.py:798]
{rank 0/64} MD step = 109800 step time: 00:00:00.370358 Performance: 41.243 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:44:12,163 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 109800 21960 60.127 -31759 6590 -38349 -38349 -3.9972 -6.1096 0.25751 1.9198e+05 2024-05-17 07:44:46,600 INFO [main.py:798]
{rank 0/64} MD step = 109900 step time: 00:00:00.358412 Performance: 41.244 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:44:51,570 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 59.527 -31851 6524.2 -38376 -38376 -4.001 -6.1168 0.2575 1.9216e+05 2024-05-17 07:45:28,690 INFO [main.py:798]
{rank 0/64} MD step = 110000 step time: 00:00:00.379399 Performance: 41.244 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:45:33,702 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 60.123 -31887 6589.5 -38477 -38477 -4.0047 -6.1202 0.25791 1.923e+05 2024-05-17 07:46:08,284 INFO [main.py:798]
{rank 0/64} MD step = 110100 step time: 00:00:00.345297 Performance: 41.246 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:46:14,242 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 59.592 -31874 6531.4 -38405 -38405 -4.0082 -6.1264 0.25758 1.9247e+05 2024-05-17 07:46:48,739 INFO [main.py:798]
{rank 0/64} MD step = 110200 step time: 00:00:00.343216 Performance: 41.247 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:46:54,686 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110200 22040 60.56 -31889 6637.4 -38527 -38527 -4.0128 -6.1326 0.25664 1.9263e+05 2024-05-17 07:47:30,969 INFO [main.py:798]
{rank 0/64} MD step = 110300 step time: 00:00:00.388492 Performance: 41.247 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:47:37,984 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110300 22060 59.709 -31912 6544.2 -38456 -38456 -4.0155 -6.1384 0.25781 1.9282e+05 2024-05-17 07:48:14,201 INFO [main.py:798]
{rank 0/64} MD step = 110400 step time: 00:00:00.372579 Performance: 41.245 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:48:21,113 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110400 22080 60.478 -31835 6628.5 -38463 -38463 -4.0203 -6.1442 0.258 1.9299e+05 2024-05-17 07:48:56,581 INFO [main.py:798]
{rank 0/64} MD step = 110500 step time: 00:00:00.382420 Performance: 41.245 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:49:03,979 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110500 22100 60.325 -31735 6611.7 -38347 -38347 -4.023 -6.1505 0.25909 1.9319e+05 2024-05-17 07:49:39,796 INFO [main.py:798]
{rank 0/64} MD step = 110600 step time: 00:00:00.381990 Performance: 41.244 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:49:48,310 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110600 22120 60.064 -31920 6583 -38503 -38503 -4.0284 -6.1557 0.25861 1.9329e+05 2024-05-17 07:50:23,152 INFO [main.py:798]
{rank 0/64} MD step = 110700 step time: 00:00:00.349145 Performance: 41.243 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:50:29,505 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110700 22140 60.367 -31817 6616.3 -38433 -38433 -4.0321 -6.1621 0.25912 1.9349e+05 2024-05-17 07:51:06,092 INFO [main.py:798]
{rank 0/64} MD step = 110800 step time: 00:00:00.360089 Performance: 41.242 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:51:11,500 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 60.181 -32000 6595.9 -38596 -38596 -4.0358 -6.1676 0.26041 1.9366e+05 2024-05-17 07:51:50,730 INFO [main.py:798]
{rank 0/64} MD step = 110900 step time: 00:00:00.353786 Performance: 41.239 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 07:52:01,409 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110900 22180 60.308 -31926 6609.8 -38536 -38536 -4.0402 -6.1733 0.26137 1.9385e+05 2024-05-17 07:52:36,698 INFO [main.py:798]
{rank 0/64} MD step = 111000 step time: 00:00:00.357364 Performance: 41.236 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 07:52:40,649 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 111000 22200 60.185 -31898 6596.4 -38494 -38494 -4.0448 -6.1791 0.26097 1.9404e+05 2024-05-17 07:53:16,393 INFO [main.py:798]
{rank 0/64} MD step = 111100 step time: 00:00:00.354458 Performance: 41.238 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 07:53:21,710 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 111100 22220 59.839 -31959 6558.5 -38518 -38518 -4.0489 -6.1835 0.26152 1.9421e+05 2024-05-17 07:53:57,144 INFO [main.py:798]
{rank 0/64} MD step = 111200 step time: 00:00:00.351766 Performance: 41.239 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 07:54:01,760 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 60.686 -31991 6651.3 -38642 -38642 -4.0526 -6.1886 0.26247 1.9437e+05 2024-05-17 07:54:38,943 INFO [main.py:798]
{rank 0/64} MD step = 111300 step time: 00:00:00.381833 Performance: 41.239 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 07:54:45,983 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 111300 22260 60.393 -31903 6619.1 -38522 -38522 -4.0565 -6.1939 0.26198 1.9459e+05 2024-05-17 07:55:21,346 INFO [main.py:798]
{rank 0/64} MD step = 111400 step time: 00:00:00.385485 Performance: 41.238 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 07:55:29,538 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 59.849 -31939 6559.5 -38498 -38498 -4.0606 -6.199 0.26348 1.9478e+05 2024-05-17 07:56:06,179 INFO [main.py:798]
{rank 0/64} MD step = 111500 step time: 00:00:00.350071 Performance: 41.236 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 07:56:11,170 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 111500 22300 60.122 -32102 6589.5 -38691 -38691 -4.0634 -6.2038 0.26463 1.9492e+05 2024-05-17 07:56:47,832 INFO [main.py:798]
{rank 0/64} MD step = 111600 step time: 00:00:00.346302 Performance: 41.236 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 07:56:55,596 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 59.371 -32088 6507.2 -38595 -38595 -4.0657 -6.2111 0.26501 1.951e+05 2024-05-17 07:57:30,171 INFO [main.py:798]
{rank 0/64} MD step = 111700 step time: 00:00:00.377721 Performance: 41.235 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 07:57:38,812 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 111700 22340 60.883 -31717 6672.8 -38390 -38390 -4.0699 -6.2169 0.26558 1.9529e+05 2024-05-17 07:58:13,981 INFO [main.py:798]
{rank 0/64} MD step = 111800 step time: 00:00:00.348415 Performance: 41.234 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 07:58:20,206 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 60.344 -31865 6613.8 -38479 -38479 -4.0744 -6.2232 0.26632 1.9543e+05 2024-05-17 07:58:54,756 INFO [main.py:798]
{rank 0/64} MD step = 111900 step time: 00:00:00.353155 Performance: 41.235 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 07:59:00,094 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 60.094 -31954 6586.4 -38541 -38541 -4.0758 -6.229 0.2651 1.9559e+05 2024-05-17 07:59:37,897 INFO [main.py:798]
{rank 0/64} MD step = 112000 step time: 00:00:00.375439 Performance: 41.234 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 07:59:46,044 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 112000 22400 60.207 -31935 6598.7 -38534 -38534 -4.0794 -6.2335 0.26664 1.958e+05 2024-05-17 08:00:22,194 INFO [main.py:798]
{rank 0/64} MD step = 112100 step time: 00:00:00.372076 Performance: 41.232 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:00:28,133 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 60.063 -32037 6583 -38620 -38620 -4.0833 -6.2368 0.26862 1.9596e+05 2024-05-17 08:01:03,119 INFO [main.py:798]
{rank 0/64} MD step = 112200 step time: 00:00:00.333178 Performance: 41.232 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:01:09,155 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 112200 22440 59.834 -31938 6557.9 -38496 -38496 -4.0868 -6.2421 0.26822 1.9615e+05 2024-05-17 08:01:46,074 INFO [main.py:798]
{rank 0/64} MD step = 112300 step time: 00:00:00.347294 Performance: 41.232 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:01:51,367 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 60.547 -31778 6636.1 -38414 -38414 -4.0902 -6.2476 0.26937 1.9634e+05 2024-05-17 08:02:26,730 INFO [main.py:798]
{rank 0/64} MD step = 112400 step time: 00:00:00.364726 Performance: 41.233 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:02:32,205 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 59.584 -31990 6530.5 -38521 -38521 -4.0941 -6.2532 0.27172 1.9649e+05 2024-05-17 08:03:07,253 INFO [main.py:798]
{rank 0/64} MD step = 112500 step time: 00:00:00.376113 Performance: 41.234 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:03:13,808 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 60.215 -31794 6599.6 -38394 -38394 -4.0976 -6.2577 0.27272 1.9665e+05 2024-05-17 08:03:48,413 INFO [main.py:798]
{rank 0/64} MD step = 112600 step time: 00:00:00.357189 Performance: 41.235 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:03:58,429 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 112600 22520 59.642 -31950 6536.9 -38487 -38487 -4.1012 -6.2634 0.27283 1.9679e+05 2024-05-17 08:04:33,074 INFO [main.py:798]
{rank 0/64} MD step = 112700 step time: 00:00:00.332247 Performance: 41.232 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:04:39,466 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 112700 22540 59.959 -31922 6571.5 -38493 -38493 -4.1042 -6.2684 0.27453 1.9695e+05 2024-05-17 08:05:14,642 INFO [main.py:798]
{rank 0/64} MD step = 112800 step time: 00:00:00.326323 Performance: 41.232 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:05:25,815 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 59.348 -31994 6504.6 -38499 -38499 -4.1075 -6.2737 0.27419 1.9714e+05 2024-05-17 08:06:00,286 INFO [main.py:798]
{rank 0/64} MD step = 112900 step time: 00:00:00.346744 Performance: 41.229 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:06:06,228 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 112900 22580 59.814 -32002 6555.7 -38558 -38558 -4.1111 -6.2793 0.27567 1.973e+05 2024-05-17 08:06:42,732 INFO [main.py:798]
{rank 0/64} MD step = 113000 step time: 00:00:00.341970 Performance: 41.229 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:06:48,606 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 113000 22600 60.101 -31870 6587.1 -38457 -38457 -4.1149 -6.2853 0.27522 1.9751e+05 2024-05-17 08:07:22,992 INFO [main.py:798]
{rank 0/64} MD step = 113100 step time: 00:00:00.331220 Performance: 41.230 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:07:31,717 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 60.837 -31995 6667.8 -38663 -38663 -4.1173 -6.2897 0.2746 1.9766e+05 2024-05-17 08:08:06,778 INFO [main.py:798]
{rank 0/64} MD step = 113200 step time: 00:00:00.345870 Performance: 41.229 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:08:13,374 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 60.34 -31931 6613.3 -38545 -38545 -4.122 -6.2952 0.27532 1.9786e+05 2024-05-17 08:08:47,880 INFO [main.py:798]
{rank 0/64} MD step = 113300 step time: 00:00:00.326046 Performance: 41.229 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:08:54,152 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 59.475 -31827 6518.5 -38345 -38345 -4.1237 -6.301 0.27506 1.9806e+05 2024-05-17 08:09:29,118 INFO [main.py:798]
{rank 0/64} MD step = 113400 step time: 00:00:00.333555 Performance: 41.230 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:09:35,052 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 113400 22680 60.353 -31931 6614.8 -38546 -38546 -4.1243 -6.3061 0.27762 1.9819e+05 2024-05-17 08:10:09,486 INFO [main.py:798]
{rank 0/64} MD step = 113500 step time: 00:00:00.332382 Performance: 41.231 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:10:17,290 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 113500 22700 59.694 -31987 6542.6 -38529 -38529 -4.1274 -6.3121 0.27773 1.9838e+05 2024-05-17 08:10:53,041 INFO [main.py:798]
{rank 0/64} MD step = 113600 step time: 00:00:00.339011 Performance: 41.230 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:11:00,178 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 113600 22720 60.297 -31969 6608.6 -38577 -38577 -4.1301 -6.3162 0.27691 1.9856e+05 2024-05-17 08:11:34,841 INFO [main.py:798]
{rank 0/64} MD step = 113700 step time: 00:00:00.349332 Performance: 41.230 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:11:41,264 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 113700 22740 60.661 -31850 6648.5 -38499 -38499 -4.1323 -6.3222 0.27674 1.9876e+05 2024-05-17 08:12:15,867 INFO [main.py:798]
{rank 0/64} MD step = 113800 step time: 00:00:00.356163 Performance: 41.231 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:12:22,062 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 113800 22760 60.873 -31811 6671.8 -38483 -38483 -4.138 -6.3272 0.27712 1.9893e+05 2024-05-17 08:12:56,133 INFO [main.py:798]
{rank 0/64} MD step = 113900 step time: 00:00:00.350068 Performance: 41.232 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:13:02,358 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 61.003 -31795 6686 -38481 -38481 -4.1415 -6.3329 0.27727 1.991e+05 2024-05-17 08:13:36,605 INFO [main.py:798]
{rank 0/64} MD step = 114000 step time: 00:00:00.363329 Performance: 41.233 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:13:44,154 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 114000 22800 58.97 -32162 6463.1 -38625 -38625 -4.145 -6.3397 0.27806 1.9925e+05 2024-05-17 08:14:18,458 INFO [main.py:798]
{rank 0/64} MD step = 114100 step time: 00:00:00.352560 Performance: 41.233 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:14:24,789 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 114100 22820 60.082 -31913 6585.1 -38498 -38498 -4.1487 -6.3453 0.27901 1.9944e+05 2024-05-17 08:15:01,085 INFO [main.py:798]
{rank 0/64} MD step = 114200 step time: 00:00:00.349960 Performance: 41.233 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:15:06,823 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 114200 22840 60.981 -31854 6683.6 -38537 -38537 -4.1522 -6.3501 0.2801 1.996e+05 2024-05-17 08:15:41,113 INFO [main.py:798]
{rank 0/64} MD step = 114300 step time: 00:00:00.349448 Performance: 41.234 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:15:46,870 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 59.926 -31756 6568 -38324 -38324 -4.1577 -6.3568 0.27917 1.9979e+05 2024-05-17 08:16:21,683 INFO [main.py:798]
{rank 0/64} MD step = 114400 step time: 00:00:00.348879 Performance: 41.235 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:16:27,202 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 59.978 -31976 6573.6 -38550 -38550 -4.1608 -6.3633 0.27769 1.9995e+05 2024-05-17 08:17:00,961 INFO [main.py:798]
{rank 0/64} MD step = 114500 step time: 00:00:00.352586 Performance: 41.238 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:17:07,489 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 114500 22900 59.138 -32090 6481.5 -38571 -38571 -4.164 -6.3693 0.27561 2.0011e+05 2024-05-17 08:17:42,706 INFO [main.py:798]
{rank 0/64} MD step = 114600 step time: 00:00:00.349700 Performance: 41.238 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:17:50,725 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 59.838 -31842 6558.3 -38400 -38400 -4.1668 -6.3749 0.2765 2.0032e+05 2024-05-17 08:18:24,483 INFO [main.py:798]
{rank 0/64} MD step = 114700 step time: 00:00:00.357782 Performance: 41.238 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:18:31,105 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 58.983 -32136 6464.6 -38600 -38600 -4.1719 -6.381 0.27579 2.0045e+05 2024-05-17 08:19:06,611 INFO [main.py:798]
{rank 0/64} MD step = 114800 step time: 00:00:00.369277 Performance: 41.238 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:19:13,033 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 60.233 -32029 6601.6 -38630 -38630 -4.1751 -6.3862 0.27552 2.006e+05 2024-05-17 08:19:48,052 INFO [main.py:798]
{rank 0/64} MD step = 114900 step time: 00:00:00.355604 Performance: 41.238 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:19:54,008 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 114900 22980 59.586 -31988 6530.7 -38519 -38519 -4.1793 -6.3916 0.27586 2.0079e+05 2024-05-17 08:20:29,195 INFO [main.py:798]
{rank 0/64} MD step = 115000 step time: 00:00:00.356370 Performance: 41.239 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 08:20:37,034 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 115000 23000 59.656 -32062 6538.4 -38601 -38601 -4.1825 -6.3958 0.27461 2.0095e+05 2024-05-17 08:21:11,109 INFO [main.py:798]
{rank 0/64} MD step = 115100 step time: 00:00:00.344476 Performance: 41.239 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 08:21:17,454 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 115100 23020 60.44 -31976 6624.3 -38600 -38600 -4.1862 -6.4005 0.27683 2.0111e+05 2024-05-17 08:21:52,005 INFO [main.py:798]
{rank 0/64} MD step = 115200 step time: 00:00:00.358415 Performance: 41.240 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 08:21:58,052 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 115200 23040 60.349 -31898 6614.4 -38513 -38513 -4.1901 -6.4075 0.27802 2.0131e+05 2024-05-17 08:22:32,511 INFO [main.py:798]
{rank 0/64} MD step = 115300 step time: 00:00:00.336541 Performance: 41.241 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 08:22:37,728 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 60.15 -31932 6592.5 -38524 -38524 -4.1925 -6.4116 0.27758 2.0147e+05 2024-05-17 08:23:13,016 INFO [main.py:798]
{rank 0/64} MD step = 115400 step time: 00:00:00.362499 Performance: 41.242 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 08:23:19,743 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 59.544 -31988 6526.1 -38514 -38514 -4.1943 -6.4158 0.27762 2.0163e+05 2024-05-17 08:23:55,139 INFO [main.py:798]
{rank 0/64} MD step = 115500 step time: 00:00:00.353709 Performance: 41.242 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 08:24:02,285 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 115500 23100 60.024 -31929 6578.7 -38508 -38508 -4.1963 -6.4216 0.27813 2.0178e+05 2024-05-17 08:24:37,013 INFO [main.py:798]
{rank 0/64} MD step = 115600 step time: 00:00:00.328204 Performance: 41.242 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 08:24:55,718 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 115600 23120 59.681 -31904 6541.1 -38445 -38445 -4.1984 -6.4267 0.27664 2.0196e+05 2024-05-17 08:25:30,791 INFO [main.py:798]
{rank 0/64} MD step = 115700 step time: 00:00:00.343947 Performance: 41.232 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:25:39,419 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 59.704 -31970 6543.7 -38513 -38513 -4.2002 -6.4328 0.27697 2.0213e+05 2024-05-17 08:26:13,524 INFO [main.py:798]
{rank 0/64} MD step = 115800 step time: 00:00:00.338111 Performance: 41.231 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:26:19,371 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 115800 23160 59.54 -31975 6525.7 -38500 -38500 -4.2043 -6.4385 0.27794 2.0233e+05 2024-05-17 08:26:54,229 INFO [main.py:798]
{rank 0/64} MD step = 115900 step time: 00:00:00.345926 Performance: 41.232 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:27:01,381 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 115900 23180 59.752 -31994 6548.9 -38543 -38543 -4.2079 -6.4432 0.28085 2.0248e+05 2024-05-17 08:27:35,931 INFO [main.py:798]
{rank 0/64} MD step = 116000 step time: 00:00:00.353155 Performance: 41.232 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:27:42,058 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 59.836 -31965 6558.1 -38523 -38523 -4.2118 -6.4498 0.28203 2.0267e+05 2024-05-17 08:28:17,427 INFO [main.py:798]
{rank 0/64} MD step = 116100 step time: 00:00:00.383470 Performance: 41.233 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:28:23,630 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 116100 23220 60.124 -31859 6589.6 -38449 -38449 -4.2167 -6.4566 0.28361 2.0287e+05 2024-05-17 08:28:58,543 INFO [main.py:798]
{rank 0/64} MD step = 116200 step time: 00:00:00.377008 Performance: 41.233 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:29:07,156 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 116200 23240 58.994 -31904 6465.8 -38370 -38370 -4.2214 -6.4624 0.28428 2.0306e+05 2024-05-17 08:29:41,288 INFO [main.py:798]
{rank 0/64} MD step = 116300 step time: 00:00:00.340813 Performance: 41.233 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:29:46,751 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 116300 23260 60.266 -31874 6605.3 -38479 -38479 -4.2239 -6.4687 0.28525 2.0324e+05 2024-05-17 08:30:21,130 INFO [main.py:798]
{rank 0/64} MD step = 116400 step time: 00:00:00.347932 Performance: 41.234 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:30:27,015 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 116400 23280 59.773 -31913 6551.2 -38464 -38464 -4.2267 -6.4742 0.28657 2.0344e+05 2024-05-17 08:31:01,546 INFO [main.py:798]
{rank 0/64} MD step = 116500 step time: 00:00:00.348359 Performance: 41.236 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:31:07,035 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 59.048 -31947 6471.7 -38419 -38419 -4.2298 -6.4807 0.28615 2.036e+05 2024-05-17 08:31:41,580 INFO [main.py:798]
{rank 0/64} MD step = 116600 step time: 00:00:00.344342 Performance: 41.237 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:31:50,576 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 59.994 -32001 6575.4 -38576 -38576 -4.2337 -6.4861 0.28744 2.0374e+05 2024-05-17 08:32:26,399 INFO [main.py:798]
{rank 0/64} MD step = 116700 step time: 00:00:00.347457 Performance: 41.235 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:32:33,287 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 59.678 -31948 6540.7 -38489 -38489 -4.2358 -6.4924 0.28702 2.0393e+05 2024-05-17 08:33:08,614 INFO [main.py:798]
{rank 0/64} MD step = 116800 step time: 00:00:00.334991 Performance: 41.234 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:33:15,567 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 116800 23360 59.91 -31880 6566.2 -38446 -38446 -4.2403 -6.4975 0.2863 2.0413e+05 2024-05-17 08:33:51,667 INFO [main.py:798]
{rank 0/64} MD step = 116900 step time: 00:00:00.349279 Performance: 41.233 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:33:57,924 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 59.959 -31827 6571.6 -38398 -38398 -4.2461 -6.5025 0.28649 2.0429e+05 2024-05-17 08:34:42,943 INFO [main.py:798]
{rank 0/64} MD step = 117000 step time: 00:00:00.376808 Performance: 41.226 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:34:51,840 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 117000 23400 60.596 -31753 6641.4 -38395 -38395 -4.2505 -6.508 0.28591 2.0448e+05 2024-05-17 08:35:26,586 INFO [main.py:798]
{rank 0/64} MD step = 117100 step time: 00:00:00.360961 Performance: 41.224 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:35:34,121 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 60.253 -31980 6603.8 -38584 -38584 -4.2542 -6.5123 0.28655 2.0464e+05 2024-05-17 08:36:09,043 INFO [main.py:798]
{rank 0/64} MD step = 117200 step time: 00:00:00.354477 Performance: 41.224 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:36:14,849 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 117200 23440 59.198 -32099 6488.2 -38587 -38587 -4.2572 -6.5194 0.28663 2.0479e+05 2024-05-17 08:36:49,574 INFO [main.py:798]
{rank 0/64} MD step = 117300 step time: 00:00:00.374746 Performance: 41.225 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:36:53,686 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 117300 23460 59.956 -31904 6571.3 -38476 -38476 -4.2597 -6.5255 0.28819 2.0498e+05 2024-05-17 08:37:30,142 INFO [main.py:798]
{rank 0/64} MD step = 117400 step time: 00:00:00.357609 Performance: 41.226 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:37:36,349 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 117400 23480 59.919 -31810 6567.2 -38377 -38377 -4.264 -6.5302 0.28977 2.0518e+05 2024-05-17 08:38:10,606 INFO [main.py:798]
{rank 0/64} MD step = 117500 step time: 00:00:00.342349 Performance: 41.227 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:38:17,752 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 60.409 -31787 6620.9 -38408 -38408 -4.2688 -6.5358 0.2895 2.0538e+05 2024-05-17 08:38:52,508 INFO [main.py:798]
{rank 0/64} MD step = 117600 step time: 00:00:00.354301 Performance: 41.227 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:38:58,723 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 59.419 -31983 6512.4 -38495 -38495 -4.272 -6.5413 0.28948 2.0552e+05 2024-05-17 08:39:33,344 INFO [main.py:798]
{rank 0/64} MD step = 117700 step time: 00:00:00.334331 Performance: 41.228 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:39:38,722 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 59.647 -31843 6537.4 -38381 -38381 -4.2768 -6.5478 0.28973 2.0572e+05 2024-05-17 08:40:13,558 INFO [main.py:798]
{rank 0/64} MD step = 117800 step time: 00:00:00.352697 Performance: 41.230 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:40:19,389 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 60.527 -31745 6633.9 -38379 -38379 -4.2796 -6.5547 0.28958 2.0589e+05 2024-05-17 08:40:54,558 INFO [main.py:798]
{rank 0/64} MD step = 117900 step time: 00:00:00.347567 Performance: 41.230 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:41:02,144 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 117900 23580 60.798 -31869 6663.5 -38533 -38533 -4.2843 -6.56 0.28929 2.0604e+05 2024-05-17 08:41:37,068 INFO [main.py:798]
{rank 0/64} MD step = 118000 step time: 00:00:00.356804 Performance: 41.230 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:41:44,027 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 118000 23600 60.025 -32022 6578.9 -38601 -38601 -4.2887 -6.5653 0.29004 2.0621e+05 2024-05-17 08:42:18,720 INFO [main.py:798]
{rank 0/64} MD step = 118100 step time: 00:00:00.353537 Performance: 41.230 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:42:24,307 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 118100 23620 60.123 -31962 6589.6 -38552 -38552 -4.2924 -6.5721 0.29042 2.064e+05 2024-05-17 08:42:59,727 INFO [main.py:798]
{rank 0/64} MD step = 118200 step time: 00:00:00.340840 Performance: 41.231 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:43:06,318 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 61.084 -31744 6694.9 -38439 -38439 -4.2968 -6.5765 0.28982 2.066e+05 2024-05-17 08:43:40,745 INFO [main.py:798]
{rank 0/64} MD step = 118300 step time: 00:00:00.350902 Performance: 41.231 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:43:47,142 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 61.122 -31636 6699.1 -38335 -38335 -4.301 -6.5818 0.29034 2.0677e+05 2024-05-17 08:44:21,917 INFO [main.py:798]
{rank 0/64} MD step = 118400 step time: 00:00:00.351513 Performance: 41.232 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:44:26,573 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 118400 23680 59.811 -31952 6555.3 -38508 -38508 -4.3048 -6.589 0.29147 2.0691e+05 2024-05-17 08:45:02,053 INFO [main.py:798]
{rank 0/64} MD step = 118500 step time: 00:00:00.352787 Performance: 41.234 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:45:08,261 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 118500 23700 59.727 -32017 6546.1 -38564 -38564 -4.3085 -6.5938 0.29221 2.0708e+05 2024-05-17 08:45:42,844 INFO [main.py:798]
{rank 0/64} MD step = 118600 step time: 00:00:00.353385 Performance: 41.235 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:45:48,627 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 60.291 -31922 6608 -38530 -38530 -4.3117 -6.5985 0.29202 2.0728e+05 2024-05-17 08:46:23,124 INFO [main.py:798]
{rank 0/64} MD step = 118700 step time: 00:00:00.352798 Performance: 41.236 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:46:27,859 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 60.21 -32024 6599 -38623 -38623 -4.3157 -6.6062 0.29348 2.0745e+05 2024-05-17 08:47:05,049 INFO [main.py:798]
{rank 0/64} MD step = 118800 step time: 00:00:00.375337 Performance: 41.236 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:47:14,812 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 118800 23760 59.302 -32034 6499.5 -38534 -38534 -4.3194 -6.6117 0.29391 2.0761e+05 2024-05-17 08:47:49,096 INFO [main.py:798]
{rank 0/64} MD step = 118900 step time: 00:00:00.342430 Performance: 41.234 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:47:55,034 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 118900 23780 59.876 -31795 6562.5 -38357 -38357 -4.3223 -6.6174 0.29455 2.078e+05 2024-05-17 08:48:31,329 INFO [main.py:798]
{rank 0/64} MD step = 119000 step time: 00:00:00.348821 Performance: 41.234 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:48:38,187 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 59.685 -31964 6541.6 -38506 -38506 -4.3258 -6.6241 0.29443 2.0796e+05 2024-05-17 08:49:13,051 INFO [main.py:798]
{rank 0/64} MD step = 119100 step time: 00:00:00.373362 Performance: 41.234 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:49:18,485 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 59.057 -31879 6472.7 -38351 -38351 -4.3288 -6.6292 0.2952 2.0814e+05 2024-05-17 08:49:54,695 INFO [main.py:798]
{rank 0/64} MD step = 119200 step time: 00:00:00.348198 Performance: 41.234 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:50:00,829 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 60.755 -31975 6658.8 -38634 -38634 -4.3319 -6.6344 0.29592 2.0828e+05 2024-05-17 08:50:36,814 INFO [main.py:798]
{rank 0/64} MD step = 119300 step time: 00:00:00.354359 Performance: 41.234 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:50:47,001 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 119300 23860 59.825 -31911 6556.9 -38468 -38468 -4.3354 -6.6401 0.29623 2.085e+05 2024-05-17 08:51:21,412 INFO [main.py:798]
{rank 0/64} MD step = 119400 step time: 00:00:00.342951 Performance: 41.232 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:51:27,211 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 60.317 -31912 6610.8 -38523 -38523 -4.3363 -6.6454 0.29703 2.0868e+05 2024-05-17 08:52:02,229 INFO [main.py:798]
{rank 0/64} MD step = 119500 step time: 00:00:00.357216 Performance: 41.233 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:52:07,589 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 119500 23900 60.923 -31979 6677.2 -38656 -38656 -4.3399 -6.6511 0.29768 2.0883e+05 2024-05-17 08:52:41,757 INFO [main.py:798]
{rank 0/64} MD step = 119600 step time: 00:00:00.351271 Performance: 41.235 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:52:47,492 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 60.535 -31854 6634.7 -38489 -38489 -4.3429 -6.657 0.29859 2.0902e+05 2024-05-17 08:53:22,065 INFO [main.py:798]
{rank 0/64} MD step = 119700 step time: 00:00:00.359768 Performance: 41.236 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:53:27,884 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 119700 23940 60.025 -31785 6578.9 -38364 -38364 -4.3464 -6.6618 0.29918 2.0921e+05 2024-05-17 08:54:03,218 INFO [main.py:798]
{rank 0/64} MD step = 119800 step time: 00:00:00.358064 Performance: 41.237 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:54:09,278 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 119800 23960 60.172 -31925 6595 -38520 -38520 -4.3501 -6.6662 0.29937 2.0935e+05 2024-05-17 08:54:43,998 INFO [main.py:798]
{rank 0/64} MD step = 119900 step time: 00:00:00.356140 Performance: 41.237 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:54:50,909 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 60.771 -31792 6660.6 -38452 -38452 -4.3516 -6.6715 0.29868 2.0953e+05 2024-05-17 08:55:26,764 INFO [main.py:798]
{rank 0/64} MD step = 120000 step time: 00:00:00.357988 Performance: 41.237 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:55:33,611 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120000 24000 60.465 -31794 6627.1 -38421 -38421 -4.3569 -6.6765 0.29788 2.0973e+05 2024-05-17 08:56:08,441 INFO [main.py:798]
{rank 0/64} MD step = 120100 step time: 00:00:00.341615 Performance: 41.237 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:56:13,838 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 59.998 -31981 6575.9 -38557 -38557 -4.3612 -6.6834 0.29941 2.0988e+05 2024-05-17 08:56:48,483 INFO [main.py:798]
{rank 0/64} MD step = 120200 step time: 00:00:00.353122 Performance: 41.238 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 08:56:53,428 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120200 24040 59.169 -32003 6485 -38488 -38488 -4.3645 -6.6884 0.29922 2.1009e+05 2024-05-17 08:57:29,325 INFO [main.py:798]
{rank 0/64} MD step = 120300 step time: 00:00:00.347563 Performance: 41.239 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 08:57:35,737 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120300 24060 59.603 -31813 6532.5 -38346 -38346 -4.3681 -6.6951 0.29946 2.1029e+05 2024-05-17 08:58:10,366 INFO [main.py:798]
{rank 0/64} MD step = 120400 step time: 00:00:00.347810 Performance: 41.240 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 08:58:16,203 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120400 24080 60.322 -31866 6611.3 -38477 -38477 -4.3716 -6.6995 0.29985 2.1044e+05 2024-05-17 08:58:50,851 INFO [main.py:798]
{rank 0/64} MD step = 120500 step time: 00:00:00.364137 Performance: 41.241 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 08:58:56,680 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120500 24100 60.895 -31794 6674.2 -38469 -38469 -4.3742 -6.7053 0.30236 2.1063e+05 2024-05-17 08:59:31,431 INFO [main.py:798]
{rank 0/64} MD step = 120600 step time: 00:00:00.373728 Performance: 41.242 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 08:59:37,097 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 60.15 -31877 6592.5 -38470 -38470 -4.3772 -6.71 0.30381 2.1079e+05 2024-05-17 09:00:10,904 INFO [main.py:798]
{rank 0/64} MD step = 120700 step time: 00:00:00.355739 Performance: 41.244 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 09:00:16,740 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120700 24140 60.315 -31839 6610.6 -38450 -38450 -4.3816 -6.7145 0.30563 2.1101e+05 2024-05-17 09:00:51,342 INFO [main.py:798]
{rank 0/64} MD step = 120800 step time: 00:00:00.353585 Performance: 41.245 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 09:00:58,718 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120800 24160 60.069 -31889 6583.7 -38473 -38473 -4.3858 -6.7188 0.30674 2.1116e+05 2024-05-17 09:01:32,837 INFO [main.py:798]
{rank 0/64} MD step = 120900 step time: 00:00:00.364005 Performance: 41.246 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 09:01:41,417 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120900 24180 59.708 -31805 6544 -38349 -38349 -4.391 -6.7249 0.30836 2.1135e+05 2024-05-17 09:02:17,242 INFO [main.py:798]
{rank 0/64} MD step = 121000 step time: 00:00:00.351317 Performance: 41.244 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 09:02:31,867 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 121000 24200 59.266 -31971 6495.6 -38467 -38467 -4.3952 -6.7304 0.30849 2.1148e+05 2024-05-17 09:03:06,685 INFO [main.py:798]
{rank 0/64} MD step = 121100 step time: 00:00:00.359164 Performance: 41.238 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 09:03:12,631 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 121100 24220 59.263 -31970 6495.3 -38465 -38465 -4.4002 -6.7341 0.30864 2.1169e+05 2024-05-17 09:03:47,034 INFO [main.py:798]
{rank 0/64} MD step = 121200 step time: 00:00:00.340553 Performance: 41.239 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 09:03:53,136 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 59.661 -31982 6539 -38521 -38521 -4.4026 -6.7391 0.30951 2.1186e+05 2024-05-17 09:04:27,973 INFO [main.py:798]
{rank 0/64} MD step = 121300 step time: 00:00:00.371753 Performance: 41.240 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 09:04:33,412 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 59.759 -31936 6549.7 -38486 -38486 -4.4077 -6.7465 0.31047 2.1206e+05 2024-05-17 09:05:08,809 INFO [main.py:798]
{rank 0/64} MD step = 121400 step time: 00:00:00.344397 Performance: 41.241 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 09:05:15,522 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 121400 24280 60.34 -31940 6613.3 -38553 -38553 -4.4113 -6.7535 0.30904 2.1222e+05 2024-05-17 09:05:50,544 INFO [main.py:798]
{rank 0/64} MD step = 121500 step time: 00:00:00.373417 Performance: 41.241 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 09:05:56,977 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 121500 24300 60.733 -31821 6656.4 -38478 -38478 -4.4149 -6.7609 0.30992 2.1242e+05 2024-05-17 09:06:31,165 INFO [main.py:798]
{rank 0/64} MD step = 121600 step time: 00:00:00.340141 Performance: 41.242 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 09:06:37,249 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 59.283 -32008 6497.5 -38505 -38505 -4.4189 -6.7678 0.30966 2.1256e+05 2024-05-17 09:07:12,645 INFO [main.py:798]
{rank 0/64} MD step = 121700 step time: 00:00:00.353192 Performance: 41.242 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 09:07:20,129 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 121700 24340 59.731 -32106 6546.6 -38653 -38653 -4.4247 -6.7728 0.30861 2.1275e+05 2024-05-17 09:07:54,880 INFO [main.py:798]
{rank 0/64} MD step = 121800 step time: 00:00:00.354306 Performance: 41.242 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 09:08:03,205 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 59.797 -31891 6553.9 -38445 -38445 -4.4286 -6.7775 0.30808 2.1294e+05 2024-05-17 09:08:45,712 INFO [main.py:798]
{rank 0/64} MD step = 121900 step time: 00:00:00.372883 Performance: 41.235 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 09:08:52,423 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 121900 24380 59.916 -31906 6566.9 -38472 -38472 -4.4332 -6.783 0.30678 2.1314e+05 2024-05-17 09:09:27,578 INFO [main.py:798]
{rank 0/64} MD step = 122000 step time: 00:00:00.345031 Performance: 41.235 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 09:09:35,833 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 122000 24400 59.025 -32069 6469.2 -38538 -38538 -4.4374 -6.7897 0.3059 2.1329e+05 2024-05-17 09:10:10,204 INFO [main.py:798]
{rank 0/64} MD step = 122100 step time: 00:00:00.353663 Performance: 41.234 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 09:10:17,878 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 60.528 -31955 6634 -38589 -38589 -4.4411 -6.7964 0.30788 2.1344e+05 2024-05-17 09:10:52,480 INFO [main.py:798]
{rank 0/64} MD step = 122200 step time: 00:00:00.341441 Performance: 41.234 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 09:10:58,267 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 122200 24440 60.138 -31891 6591.2 -38482 -38482 -4.4465 -6.8036 0.30703 2.1364e+05 2024-05-17 09:11:33,248 INFO [main.py:798]
{rank 0/64} MD step = 122300 step time: 00:00:00.340592 Performance: 41.235 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 09:11:38,245 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 60.173 -31861 6595 -38456 -38456 -4.4483 -6.81 0.30691 2.1383e+05 2024-05-17 09:12:13,553 INFO [main.py:798]
{rank 0/64} MD step = 122400 step time: 00:00:00.375729 Performance: 41.236 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 09:12:18,898 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 122400 24480 59.823 -31864 6556.7 -38421 -38421 -4.4512 -6.8179 0.30644 2.14e+05 2024-05-17 09:12:53,714 INFO [main.py:798]
{rank 0/64} MD step = 122500 step time: 00:00:00.350803 Performance: 41.237 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 09:13:00,018 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 122500 24500 59.721 -31979 6545.5 -38525 -38525 -4.4534 -6.8231 0.30556 2.1415e+05 2024-05-17 09:13:34,146 INFO [main.py:798]
{rank 0/64} MD step = 122600 step time: 00:00:00.344891 Performance: 41.238 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-17 09:13:39,500 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 59.992 -31984 6575.2 -38559 -38559 -4.4571 -6.8277 0.30569 2.1432e+05 2024-05-17 09:14:13,995 INFO [main.py:798]
{rank 0/64} MD step = 122700 step time: 00:00:00.352760 Performance: 41.240 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 09:14:19,706 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 60.494 -31785 6630.3 -38416 -38416 -4.4612 -6.8325 0.30652 2.1453e+05 2024-05-17 09:14:54,390 INFO [main.py:798]
{rank 0/64} MD step = 122800 step time: 00:00:00.344364 Performance: 41.241 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 09:15:00,213 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 59.786 -31933 6552.6 -38486 -38486 -4.4646 -6.8369 0.30661 2.1469e+05 2024-05-17 09:15:35,923 INFO [main.py:798]
{rank 0/64} MD step = 122900 step time: 00:00:00.377527 Performance: 41.242 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 09:15:42,871 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 122900 24580 59.788 -31819 6552.8 -38372 -38372 -4.47 -6.8418 0.30643 2.1489e+05 2024-05-17 09:16:16,669 INFO [main.py:798]
{rank 0/64} MD step = 123000 step time: 00:00:00.363913 Performance: 41.243 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 09:16:24,449 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123000 24600 59.19 -32027 6487.2 -38514 -38514 -4.4759 -6.8486 0.30636 2.1504e+05 2024-05-17 09:16:58,917 INFO [main.py:798]
{rank 0/64} MD step = 123100 step time: 00:00:00.348648 Performance: 41.242 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 09:17:06,137 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123100 24620 60.617 -31721 6643.7 -38365 -38365 -4.4813 -6.8552 0.30796 2.1521e+05 2024-05-17 09:17:41,206 INFO [main.py:798]
{rank 0/64} MD step = 123200 step time: 00:00:00.356121 Performance: 41.242 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 09:17:47,217 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123200 24640 60.233 -31850 6601.6 -38451 -38451 -4.4851 -6.8623 0.30802 2.1538e+05 2024-05-17 09:18:21,119 INFO [main.py:798]
{rank 0/64} MD step = 123300 step time: 00:00:00.345460 Performance: 41.244 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 09:18:26,942 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123300 24660 60.66 -31823 6648.4 -38472 -38472 -4.4874 -6.8678 0.31027 2.1556e+05 2024-05-17 09:19:01,789 INFO [main.py:798]
{rank 0/64} MD step = 123400 step time: 00:00:00.349045 Performance: 41.245 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 09:19:08,142 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 61.135 -31754 6700.4 -38454 -38454 -4.4916 -6.8723 0.31207 2.1573e+05 2024-05-17 09:19:42,749 INFO [main.py:798]
{rank 0/64} MD step = 123500 step time: 00:00:00.360534 Performance: 41.245 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 09:19:47,546 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123500 24700 59.3 -32007 6499.4 -38506 -38506 -4.4951 -6.8774 0.31244 2.159e+05 2024-05-17 09:20:23,374 INFO [main.py:798]
{rank 0/64} MD step = 123600 step time: 00:00:00.374302 Performance: 41.246 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 09:20:27,949 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 60.643 -31801 6646.6 -38448 -38448 -4.4986 -6.8843 0.31449 2.1609e+05 2024-05-17 09:21:03,651 INFO [main.py:798]
{rank 0/64} MD step = 123700 step time: 00:00:00.347505 Performance: 41.248 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 09:21:09,166 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123700 24740 59.289 -31879 6498.1 -38377 -38377 -4.5025 -6.8888 0.3136 2.1629e+05 2024-05-17 09:21:43,345 INFO [main.py:798]
{rank 0/64} MD step = 123800 step time: 00:00:00.334201 Performance: 41.249 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 09:21:47,653 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123800 24760 60.035 -31903 6579.9 -38482 -38482 -4.507 -6.8942 0.31463 2.1644e+05 2024-05-17 09:22:22,350 INFO [main.py:798]
{rank 0/64} MD step = 123900 step time: 00:00:00.332005 Performance: 41.252 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 09:22:28,363 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 60.079 -31815 6584.7 -38399 -38399 -4.5103 -6.9011 0.31548 2.1664e+05 2024-05-17 09:23:03,589 INFO [main.py:798]
{rank 0/64} MD step = 124000 step time: 00:00:00.329244 Performance: 41.252 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 09:23:10,792 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124000 24800 59.842 -31764 6558.8 -38323 -38323 -4.5156 -6.906 0.31461 2.1684e+05 2024-05-17 09:23:44,910 INFO [main.py:798]
{rank 0/64} MD step = 124100 step time: 00:00:00.329976 Performance: 41.253 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 09:23:57,386 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124100 24820 58.878 -31869 6453.1 -38322 -38322 -4.5195 -6.9117 0.31517 2.1701e+05 2024-05-17 09:24:31,754 INFO [main.py:798]
{rank 0/64} MD step = 124200 step time: 00:00:00.336041 Performance: 41.249 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 09:24:37,720 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 60.228 -31802 6601.1 -38403 -38403 -4.5228 -6.918 0.31438 2.1716e+05 2024-05-17 09:25:12,158 INFO [main.py:798]
{rank 0/64} MD step = 124300 step time: 00:00:00.334958 Performance: 41.250 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 09:25:18,184 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 60.587 -31841 6640.4 -38481 -38481 -4.5258 -6.9235 0.31564 2.1735e+05 2024-05-17 09:25:53,107 INFO [main.py:798]
{rank 0/64} MD step = 124400 step time: 00:00:00.330064 Performance: 41.251 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 09:25:58,560 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124400 24880 60.278 -31851 6606.5 -38458 -38458 -4.5303 -6.932 0.31503 2.1753e+05 2024-05-17 09:26:35,053 INFO [main.py:798]
{rank 0/64} MD step = 124500 step time: 00:00:00.327967 Performance: 41.251 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 09:26:40,858 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 60.568 -31764 6638.3 -38402 -38402 -4.534 -6.9371 0.31537 2.1774e+05 2024-05-17 09:27:15,315 INFO [main.py:798]
{rank 0/64} MD step = 124600 step time: 00:00:00.326982 Performance: 41.252 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 09:27:20,873 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124600 24920 59.692 -31887 6542.3 -38429 -38429 -4.5362 -6.942 0.31707 2.1791e+05 2024-05-17 09:27:54,954 INFO [main.py:798]
{rank 0/64} MD step = 124700 step time: 00:00:00.355761 Performance: 41.254 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 09:28:01,621 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124700 24940 59.631 -31923 6535.7 -38459 -38459 -4.5379 -6.9487 0.31682 2.1806e+05 2024-05-17 09:28:36,466 INFO [main.py:798]
{rank 0/64} MD step = 124800 step time: 00:00:00.346430 Performance: 41.254 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 09:28:41,569 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 59.592 -31765 6531.4 -38296 -38296 -4.5407 -6.9539 0.31873 2.1826e+05 2024-05-17 09:29:17,139 INFO [main.py:798]
{rank 0/64} MD step = 124900 step time: 00:00:00.341387 Performance: 41.255 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-17 09:29:22,710 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124900 24980 60.075 -31778 6584.3 -38363 -38363 -4.5426 -6.9599 0.31839 2.184e+05 2024-05-17 09:29:57,055 INFO [main.py:798]
{rank 0/64} MD step = 125000 step time: 00:00:00.349909 Performance: 41.256 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:30:03,441 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 125000 25000 60.535 -31698 6634.7 -38333 -38333 -4.5463 -6.9662 0.32116 2.186e+05 2024-05-17 09:30:37,876 INFO [main.py:798]
{rank 0/64} MD step = 125100 step time: 00:00:00.354688 Performance: 41.257 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:30:46,090 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 125100 25020 59.413 -31904 6511.8 -38416 -38416 -4.5507 -6.9734 0.31918 2.1878e+05 2024-05-17 09:31:20,635 INFO [main.py:798]
{rank 0/64} MD step = 125200 step time: 00:00:00.355861 Performance: 41.257 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:31:28,058 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 59.766 -31885 6550.4 -38435 -38435 -4.5551 -6.9792 0.3197 2.1893e+05 2024-05-17 09:32:02,995 INFO [main.py:798]
{rank 0/64} MD step = 125300 step time: 00:00:00.343904 Performance: 41.256 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:32:08,676 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 60.778 -31773 6661.4 -38435 -38435 -4.5597 -6.9859 0.31817 2.1911e+05 2024-05-17 09:32:43,164 INFO [main.py:798]
{rank 0/64} MD step = 125400 step time: 00:00:00.349624 Performance: 41.258 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:32:48,207 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 60.288 -31692 6607.6 -38299 -38299 -4.5617 -6.9904 0.3182 2.1929e+05 2024-05-17 09:33:22,781 INFO [main.py:798]
{rank 0/64} MD step = 125500 step time: 00:00:00.334200 Performance: 41.259 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:33:28,726 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 125500 25100 59.615 -31866 6533.9 -38400 -38400 -4.5657 -6.9968 0.31939 2.195e+05 2024-05-17 09:34:03,797 INFO [main.py:798]
{rank 0/64} MD step = 125600 step time: 00:00:00.351942 Performance: 41.260 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:34:08,819 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 60.237 -31664 6602.1 -38266 -38266 -4.5686 -7.0029 0.32083 2.1971e+05 2024-05-17 09:34:43,546 INFO [main.py:798]
{rank 0/64} MD step = 125700 step time: 00:00:00.360363 Performance: 41.262 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:34:49,106 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 60.035 -31825 6579.9 -38405 -38405 -4.572 -7.0097 0.3219 2.1983e+05 2024-05-17 09:35:24,429 INFO [main.py:798]
{rank 0/64} MD step = 125800 step time: 00:00:00.351418 Performance: 41.262 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:35:30,644 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 125800 25160 59.271 -31867 6496.2 -38363 -38363 -4.5759 -7.0133 0.32352 2.2002e+05 2024-05-17 09:36:05,414 INFO [main.py:798]
{rank 0/64} MD step = 125900 step time: 00:00:00.335754 Performance: 41.263 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:36:10,694 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 60.779 -31785 6661.5 -38446 -38446 -4.5802 -7.0186 0.32526 2.2019e+05 2024-05-17 09:36:45,396 INFO [main.py:798]
{rank 0/64} MD step = 126000 step time: 00:00:00.373180 Performance: 41.265 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:36:50,535 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 126000 25200 59.663 -31801 6539.2 -38340 -38340 -4.5834 -7.0249 0.32468 2.2038e+05 2024-05-17 09:37:25,252 INFO [main.py:798]
{rank 0/64} MD step = 126100 step time: 00:00:00.347277 Performance: 41.266 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:37:31,135 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 126100 25220 60.416 -31621 6621.7 -38243 -38243 -4.586 -7.0305 0.32516 2.2059e+05 2024-05-17 09:38:05,934 INFO [main.py:798]
{rank 0/64} MD step = 126200 step time: 00:00:00.328797 Performance: 41.267 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:38:12,747 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 126200 25240 60.358 -31698 6615.3 -38314 -38314 -4.5878 -7.0366 0.32638 2.2076e+05 2024-05-17 09:38:47,154 INFO [main.py:798]
{rank 0/64} MD step = 126300 step time: 00:00:00.326321 Performance: 41.268 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:38:52,229 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 126300 25260 60.658 -31695 6648.2 -38343 -38343 -4.5916 -7.0423 0.32679 2.209e+05 2024-05-17 09:39:30,177 INFO [main.py:798]
{rank 0/64} MD step = 126400 step time: 00:00:00.351537 Performance: 41.267 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:39:35,664 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 60.417 -31689 6621.8 -38311 -38311 -4.5961 -7.0479 0.32747 2.2109e+05 2024-05-17 09:40:09,991 INFO [main.py:798]
{rank 0/64} MD step = 126500 step time: 00:00:00.347623 Performance: 41.268 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:40:15,583 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 126500 25300 59.599 -31865 6532.1 -38397 -38397 -4.5995 -7.0554 0.3288 2.2129e+05 2024-05-17 09:40:50,932 INFO [main.py:798]
{rank 0/64} MD step = 126600 step time: 00:00:00.355510 Performance: 41.269 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:41:08,014 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 59.434 -31812 6514 -38326 -38326 -4.6044 -7.0626 0.32949 2.2146e+05 2024-05-17 09:41:43,228 INFO [main.py:798]
{rank 0/64} MD step = 126700 step time: 00:00:00.330862 Performance: 41.261 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:41:55,155 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 60.335 -31728 6612.8 -38341 -38341 -4.6074 -7.0697 0.32896 2.2161e+05 2024-05-17 09:42:29,340 INFO [main.py:798]
{rank 0/64} MD step = 126800 step time: 00:00:00.348943 Performance: 41.258 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:42:36,263 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 59.518 -31662 6523.2 -38186 -38186 -4.6096 -7.0751 0.33034 2.2182e+05 2024-05-17 09:43:12,227 INFO [main.py:798]
{rank 0/64} MD step = 126900 step time: 00:00:00.349975 Performance: 41.257 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:43:19,189 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 58.927 -31832 6458.5 -38291 -38291 -4.6128 -7.0807 0.33002 2.2198e+05 2024-05-17 09:43:52,796 INFO [main.py:798]
{rank 0/64} MD step = 127000 step time: 00:00:00.335758 Performance: 41.258 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:43:59,255 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 59.734 -31868 6547 -38415 -38415 -4.6166 -7.0867 0.33011 2.2211e+05 2024-05-17 09:44:34,602 INFO [main.py:798]
{rank 0/64} MD step = 127100 step time: 00:00:00.331422 Performance: 41.258 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:44:39,682 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 127100 25420 59.81 -31677 6555.2 -38232 -38232 -4.6207 -7.0907 0.33038 2.223e+05 2024-05-17 09:45:14,217 INFO [main.py:798]
{rank 0/64} MD step = 127200 step time: 00:00:00.341111 Performance: 41.260 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:45:20,082 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 127200 25440 60.196 -31625 6597.5 -38222 -38222 -4.6241 -7.095 0.3311 2.2246e+05 2024-05-17 09:45:54,966 INFO [main.py:798]
{rank 0/64} MD step = 127300 step time: 00:00:00.354194 Performance: 41.261 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:46:01,213 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 59.76 -31858 6549.8 -38408 -38408 -4.6274 -7.1008 0.33244 2.2264e+05 2024-05-17 09:46:36,132 INFO [main.py:798]
{rank 0/64} MD step = 127400 step time: 00:00:00.358346 Performance: 41.261 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:46:42,978 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 127400 25480 59.647 -31981 6537.4 -38518 -38518 -4.6311 -7.1059 0.33312 2.228e+05 2024-05-17 09:47:18,858 INFO [main.py:798]
{rank 0/64} MD step = 127500 step time: 00:00:00.373874 Performance: 41.261 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:47:24,264 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 127500 25500 59.81 -31944 6555.3 -38499 -38499 -4.6352 -7.1118 0.33332 2.2296e+05 2024-05-17 09:48:01,326 INFO [main.py:798]
{rank 0/64} MD step = 127600 step time: 00:00:00.381921 Performance: 41.260 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:48:06,359 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 60.849 -31753 6669.1 -38422 -38422 -4.6395 -7.119 0.33212 2.2316e+05 2024-05-17 09:48:41,277 INFO [main.py:798]
{rank 0/64} MD step = 127700 step time: 00:00:00.362281 Performance: 41.262 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:48:46,730 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 127700 25540 60.563 -31688 6637.8 -38326 -38326 -4.6424 -7.1231 0.33295 2.2334e+05 2024-05-17 09:49:21,492 INFO [main.py:798]
{rank 0/64} MD step = 127800 step time: 00:00:00.347346 Performance: 41.263 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:49:27,663 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 59.482 -31880 6519.3 -38399 -38399 -4.6467 -7.1277 0.33227 2.2349e+05 2024-05-17 09:50:02,841 INFO [main.py:798]
{rank 0/64} MD step = 127900 step time: 00:00:00.342790 Performance: 41.263 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:50:09,834 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 127900 25580 59.708 -31901 6544.1 -38446 -38446 -4.6521 -7.1338 0.33321 2.2368e+05 2024-05-17 09:50:44,230 INFO [main.py:798]
{rank 0/64} MD step = 128000 step time: 00:00:00.341674 Performance: 41.264 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:50:52,099 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 128000 25600 59.737 -31878 6547.3 -38425 -38425 -4.6569 -7.1384 0.33442 2.2386e+05 2024-05-17 09:51:26,965 INFO [main.py:798]
{rank 0/64} MD step = 128100 step time: 00:00:00.347966 Performance: 41.263 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:51:33,599 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 60.441 -31725 6624.4 -38349 -38349 -4.6607 -7.1437 0.33389 2.2404e+05 2024-05-17 09:52:08,454 INFO [main.py:798]
{rank 0/64} MD step = 128200 step time: 00:00:00.376122 Performance: 41.263 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:52:14,450 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 128200 25640 60.156 -31810 6593.1 -38403 -38403 -4.6652 -7.1488 0.33622 2.242e+05 2024-05-17 09:52:49,198 INFO [main.py:798]
{rank 0/64} MD step = 128300 step time: 00:00:00.355721 Performance: 41.264 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:52:53,250 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 59.942 -31905 6569.7 -38475 -38475 -4.6699 -7.1542 0.33749 2.2437e+05 2024-05-17 09:53:29,391 INFO [main.py:798]
{rank 0/64} MD step = 128400 step time: 00:00:00.350529 Performance: 41.265 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:53:37,212 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 60.503 -31809 6631.2 -38440 -38440 -4.6738 -7.1594 0.33806 2.2459e+05 2024-05-17 09:54:11,623 INFO [main.py:798]
{rank 0/64} MD step = 128500 step time: 00:00:00.362762 Performance: 41.265 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:54:18,370 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 128500 25700 59.905 -31878 6565.7 -38444 -38444 -4.6779 -7.1647 0.3372 2.2471e+05 2024-05-17 09:54:52,945 INFO [main.py:798]
{rank 0/64} MD step = 128600 step time: 00:00:00.345985 Performance: 41.266 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:54:58,718 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 60.819 -31746 6665.8 -38412 -38412 -4.6814 -7.1701 0.3365 2.2488e+05 2024-05-17 09:55:32,451 INFO [main.py:798]
{rank 0/64} MD step = 128700 step time: 00:00:00.346653 Performance: 41.267 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:55:39,204 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 128700 25740 60.07 -31835 6583.8 -38419 -38419 -4.684 -7.1759 0.33674 2.2509e+05 2024-05-17 09:56:14,195 INFO [main.py:798]
{rank 0/64} MD step = 128800 step time: 00:00:00.353053 Performance: 41.267 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:56:23,092 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 128800 25760 59.781 -31842 6552.1 -38395 -38395 -4.6885 -7.1831 0.33709 2.2524e+05 2024-05-17 09:56:57,597 INFO [main.py:798]
{rank 0/64} MD step = 128900 step time: 00:00:00.350504 Performance: 41.266 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:57:05,019 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 59.802 -31955 6554.4 -38510 -38510 -4.6913 -7.1881 0.33689 2.2542e+05 2024-05-17 09:57:41,595 INFO [main.py:798]
{rank 0/64} MD step = 129000 step time: 00:00:00.347062 Performance: 41.265 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:57:47,669 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129000 25800 60.852 -31842 6669.5 -38511 -38511 -4.6918 -7.1951 0.33782 2.2559e+05 2024-05-17 09:58:22,016 INFO [main.py:798]
{rank 0/64} MD step = 129100 step time: 00:00:00.341615 Performance: 41.266 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:58:28,194 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129100 25820 59.819 -31887 6556.3 -38443 -38443 -4.6942 -7.2028 0.33747 2.2579e+05 2024-05-17 09:59:04,111 INFO [main.py:798]
{rank 0/64} MD step = 129200 step time: 00:00:00.368751 Performance: 41.266 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:59:09,973 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129200 25840 59.784 -31916 6552.4 -38469 -38469 -4.6963 -7.2098 0.3381 2.2593e+05 2024-05-17 09:59:44,706 INFO [main.py:798]
{rank 0/64} MD step = 129300 step time: 00:00:00.346213 Performance: 41.267 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 09:59:51,793 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129300 25860 59.64 -31826 6536.6 -38362 -38362 -4.6983 -7.2159 0.34066 2.2609e+05 2024-05-17 10:00:27,489 INFO [main.py:798]
{rank 0/64} MD step = 129400 step time: 00:00:00.346278 Performance: 41.266 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 10:00:33,991 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129400 25880 59.685 -31883 6541.6 -38424 -38424 -4.7 -7.2217 0.34105 2.263e+05 2024-05-17 10:01:08,648 INFO [main.py:798]
{rank 0/64} MD step = 129500 step time: 00:00:00.374853 Performance: 41.266 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 10:01:15,262 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129500 25900 60.711 -31867 6654 -38521 -38521 -4.7027 -7.2277 0.34164 2.2648e+05 2024-05-17 10:01:50,270 INFO [main.py:798]
{rank 0/64} MD step = 129600 step time: 00:00:00.361140 Performance: 41.267 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 10:01:56,302 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 60.945 -31741 6679.7 -38421 -38421 -4.7078 -7.2327 0.33954 2.2667e+05 2024-05-17 10:02:31,307 INFO [main.py:798]
{rank 0/64} MD step = 129700 step time: 00:00:00.356042 Performance: 41.267 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 10:02:36,174 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129700 25940 60.034 -31864 6579.8 -38444 -38444 -4.7132 -7.239 0.33819 2.2683e+05 2024-05-17 10:03:11,966 INFO [main.py:798]
{rank 0/64} MD step = 129800 step time: 00:00:00.340623 Performance: 41.268 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 10:03:24,212 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 59.273 -31926 6496.4 -38422 -38422 -4.7166 -7.2454 0.34004 2.2703e+05 2024-05-17 10:03:58,427 INFO [main.py:798]
{rank 0/64} MD step = 129900 step time: 00:00:00.347129 Performance: 41.265 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 10:04:03,877 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 59.88 -31875 6563 -38438 -38438 -4.7215 -7.2503 0.34208 2.2718e+05 2024-05-17 10:04:38,258 INFO [main.py:798]
{rank 0/64} MD step = 130000 step time: 00:00:00.356320 Performance: 41.266 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 10:04:43,704 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 59.524 -31872 6523.9 -38396 -38396 -4.7268 -7.2565 0.34253 2.2737e+05 2024-05-17 10:05:19,246 INFO [main.py:798]
{rank 0/64} MD step = 130100 step time: 00:00:00.370030 Performance: 41.267 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 10:05:25,257 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 59.709 -31880 6544.2 -38424 -38424 -4.73 -7.2627 0.3444 2.2753e+05 2024-05-17 10:05:59,378 INFO [main.py:798]
{rank 0/64} MD step = 130200 step time: 00:00:00.334960 Performance: 41.268 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 10:06:04,656 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130200 26040 60.15 -31961 6592.5 -38554 -38554 -4.7346 -7.2674 0.34552 2.2768e+05 2024-05-17 10:06:39,134 INFO [main.py:798]
{rank 0/64} MD step = 130300 step time: 00:00:00.344854 Performance: 41.270 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 10:06:45,611 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130300 26060 59.473 -32142 6518.4 -38661 -38661 -4.7363 -7.2735 0.34603 2.2786e+05 2024-05-17 10:07:20,924 INFO [main.py:798]
{rank 0/64} MD step = 130400 step time: 00:00:00.385302 Performance: 41.270 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 10:07:27,335 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 59.297 -32183 6499 -38682 -38682 -4.74 -7.2792 0.34647 2.2802e+05 2024-05-17 10:08:01,893 INFO [main.py:798]
{rank 0/64} MD step = 130500 step time: 00:00:00.338539 Performance: 41.271 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 10:08:07,286 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130500 26100 59.375 -32064 6507.6 -38571 -38571 -4.7444 -7.2856 0.347 2.2819e+05 2024-05-17 10:08:42,591 INFO [main.py:798]
{rank 0/64} MD step = 130600 step time: 00:00:00.348932 Performance: 41.271 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 10:08:49,773 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130600 26120 60.525 -31989 6633.6 -38623 -38623 -4.7486 -7.2906 0.34836 2.2835e+05 2024-05-17 10:09:23,907 INFO [main.py:798]
{rank 0/64} MD step = 130700 step time: 00:00:00.347295 Performance: 41.272 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 10:09:32,262 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130700 26140 60.264 -31896 6605 -38501 -38501 -4.7507 -7.2975 0.34794 2.2854e+05 2024-05-17 10:10:09,376 INFO [main.py:798]
{rank 0/64} MD step = 130800 step time: 00:00:00.337634 Performance: 41.269 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 10:10:17,204 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130800 26160 59.733 -31995 6546.8 -38541 -38541 -4.7545 -7.3056 0.34839 2.2872e+05 2024-05-17 10:10:52,095 INFO [main.py:798]
{rank 0/64} MD step = 130900 step time: 00:00:00.331834 Performance: 41.269 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 10:10:57,491 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130900 26180 59.97 -32023 6572.8 -38595 -38595 -4.7586 -7.3118 0.35035 2.2888e+05 2024-05-17 10:11:31,977 INFO [main.py:798]
{rank 0/64} MD step = 131000 step time: 00:00:00.327968 Performance: 41.270 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 10:11:39,416 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131000 26200 60.502 -31911 6631.1 -38542 -38542 -4.762 -7.3177 0.35044 2.2906e+05 2024-05-17 10:12:13,605 INFO [main.py:798]
{rank 0/64} MD step = 131100 step time: 00:00:00.353459 Performance: 41.270 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 10:12:18,945 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131100 26220 59.109 -32123 6478.4 -38602 -38602 -4.7656 -7.3234 0.34999 2.2924e+05 2024-05-17 10:12:54,303 INFO [main.py:798]
{rank 0/64} MD step = 131200 step time: 00:00:00.350720 Performance: 41.271 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 10:13:01,874 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 59.801 -31956 6554.3 -38510 -38510 -4.7675 -7.3299 0.35029 2.2939e+05 2024-05-17 10:13:36,265 INFO [main.py:798]
{rank 0/64} MD step = 131300 step time: 00:00:00.351714 Performance: 41.271 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 10:13:41,656 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 60.053 -32094 6581.8 -38676 -38676 -4.7727 -7.3365 0.35141 2.2956e+05 2024-05-17 10:14:16,258 INFO [main.py:798]
{rank 0/64} MD step = 131400 step time: 00:00:00.362775 Performance: 41.272 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 10:14:22,907 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 59.144 -31977 6482.2 -38459 -38459 -4.7777 -7.3417 0.3508 2.2975e+05 2024-05-17 10:14:57,715 INFO [main.py:798]
{rank 0/64} MD step = 131500 step time: 00:00:00.354328 Performance: 41.273 ns/day 0.581 hours/ns 2.388 steps/s 2024-05-17 10:15:06,024 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131500 26300 59.84 -31866 6558.5 -38424 -38424 -4.7826 -7.3471 0.34962 2.2993e+05 2024-05-17 10:15:40,537 INFO [main.py:798]
{rank 0/64} MD step = 131600 step time: 00:00:00.358399 Performance: 41.272 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 10:15:49,434 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131600 26320 59.515 -31996 6522.9 -38519 -38519 -4.7858 -7.3513 0.35 2.3009e+05 2024-05-17 10:16:23,992 INFO [main.py:798]
{rank 0/64} MD step = 131700 step time: 00:00:00.335636 Performance: 41.271 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 10:16:28,799 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131700 26340 60.386 -31836 6618.4 -38454 -38454 -4.7897 -7.3562 0.35 2.3024e+05 2024-05-17 10:17:04,059 INFO [main.py:798]
{rank 0/64} MD step = 131800 step time: 00:00:00.350920 Performance: 41.272 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-17 10:17:09,040 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131800 26360 59.376 -31922 6507.6 -38430 -38430 -4.7942 -7.3632 0.3512 2.3046e+05 2024-05-17 10:17:42,865 INFO [main.py:798]
{rank 0/64} MD step = 131900 step time: 00:00:00.354309 Performance: 41.275 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:17:48,596 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 60.197 -31946 6597.7 -38544 -38544 -4.7968 -7.3698 0.35084 2.306e+05 2024-05-17 10:18:23,503 INFO [main.py:798]
{rank 0/64} MD step = 132000 step time: 00:00:00.353022 Performance: 41.275 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:18:29,573 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 58.951 -32033 6461.1 -38494 -38494 -4.8009 -7.3762 0.35181 2.308e+05 2024-05-17 10:19:03,895 INFO [main.py:798]
{rank 0/64} MD step = 132100 step time: 00:00:00.348876 Performance: 41.277 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:19:09,758 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 60.19 -31891 6596.9 -38487 -38487 -4.8039 -7.3833 0.35126 2.3095e+05 2024-05-17 10:19:45,459 INFO [main.py:798]
{rank 0/64} MD step = 132200 step time: 00:00:00.379312 Performance: 41.277 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:19:51,680 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 132200 26440 59.496 -31932 6520.8 -38453 -38453 -4.8078 -7.3881 0.35271 2.3113e+05 2024-05-17 10:20:26,088 INFO [main.py:798]
{rank 0/64} MD step = 132300 step time: 00:00:00.357679 Performance: 41.278 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:20:32,042 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 132300 26460 60.211 -31832 6599.2 -38432 -38432 -4.8128 -7.3945 0.35324 2.313e+05 2024-05-17 10:21:06,143 INFO [main.py:798]
{rank 0/64} MD step = 132400 step time: 00:00:00.358250 Performance: 41.279 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:21:12,439 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 132400 26480 59.446 -31897 6515.3 -38413 -38413 -4.8159 -7.3997 0.35342 2.3147e+05 2024-05-17 10:21:47,231 INFO [main.py:798]
{rank 0/64} MD step = 132500 step time: 00:00:00.353034 Performance: 41.280 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:22:00,504 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 132500 26500 60.685 -31761 6651.1 -38412 -38412 -4.8189 -7.4039 0.35526 2.3163e+05 2024-05-17 10:22:35,121 INFO [main.py:798]
{rank 0/64} MD step = 132600 step time: 00:00:00.349450 Performance: 41.275 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:22:42,635 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 132600 26520 60.437 -31686 6624 -38310 -38310 -4.8224 -7.4091 0.35669 2.3185e+05 2024-05-17 10:23:17,407 INFO [main.py:798]
{rank 0/64} MD step = 132700 step time: 00:00:00.350215 Performance: 41.275 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:23:22,564 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 59.72 -31902 6545.4 -38448 -38448 -4.8265 -7.4138 0.35852 2.3199e+05 2024-05-17 10:23:56,827 INFO [main.py:798]
{rank 0/64} MD step = 132800 step time: 00:00:00.360847 Performance: 41.277 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:24:02,558 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 59.679 -31773 6540.9 -38314 -38314 -4.8292 -7.421 0.35909 2.3223e+05 2024-05-17 10:24:37,334 INFO [main.py:798]
{rank 0/64} MD step = 132900 step time: 00:00:00.356441 Performance: 41.278 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:24:44,078 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 132900 26580 59.552 -32050 6527 -38577 -38577 -4.8326 -7.427 0.35992 2.3234e+05 2024-05-17 10:25:18,647 INFO [main.py:798]
{rank 0/64} MD step = 133000 step time: 00:00:00.363217 Performance: 41.278 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:25:24,872 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 60.096 -31851 6586.6 -38438 -38438 -4.8365 -7.4325 0.36019 2.3256e+05 2024-05-17 10:25:59,754 INFO [main.py:798]
{rank 0/64} MD step = 133100 step time: 00:00:00.339441 Performance: 41.279 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:26:04,621 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 59.56 -31933 6527.9 -38460 -38460 -4.8398 -7.4377 0.36013 2.3271e+05 2024-05-17 10:26:39,660 INFO [main.py:798]
{rank 0/64} MD step = 133200 step time: 00:00:00.352781 Performance: 41.280 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:26:45,721 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133200 26640 59.685 -31758 6541.6 -38300 -38300 -4.8428 -7.443 0.36101 2.3292e+05 2024-05-17 10:27:20,160 INFO [main.py:798]
{rank 0/64} MD step = 133300 step time: 00:00:00.353315 Performance: 41.281 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:27:24,628 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133300 26660 60.894 -31625 6674.1 -38299 -38299 -4.8455 -7.4486 0.36238 2.331e+05 2024-05-17 10:28:00,300 INFO [main.py:798]
{rank 0/64} MD step = 133400 step time: 00:00:00.341289 Performance: 41.282 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:28:06,846 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133400 26680 60.74 -31681 6657.2 -38338 -38338 -4.8498 -7.4539 0.36257 2.3328e+05 2024-05-17 10:28:40,596 INFO [main.py:798]
{rank 0/64} MD step = 133500 step time: 00:00:00.360176 Performance: 41.283 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:28:49,459 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133500 26700 60.041 -31780 6580.6 -38360 -38360 -4.8533 -7.4583 0.36267 2.3342e+05 2024-05-17 10:29:24,084 INFO [main.py:798]
{rank 0/64} MD step = 133600 step time: 00:00:00.359004 Performance: 41.282 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:29:31,114 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133600 26720 60.332 -31706 6612.5 -38319 -38319 -4.8555 -7.4648 0.36413 2.3362e+05 2024-05-17 10:30:05,967 INFO [main.py:798]
{rank 0/64} MD step = 133700 step time: 00:00:00.343624 Performance: 41.282 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:30:11,405 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133700 26740 59.723 -31876 6545.8 -38422 -38422 -4.8598 -7.4721 0.36642 2.3378e+05 2024-05-17 10:30:46,516 INFO [main.py:798]
{rank 0/64} MD step = 133800 step time: 00:00:00.347074 Performance: 41.283 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:30:52,167 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133800 26760 60.484 -31861 6629.1 -38490 -38490 -4.8626 -7.478 0.36572 2.3396e+05 2024-05-17 10:31:27,083 INFO [main.py:798]
{rank 0/64} MD step = 133900 step time: 00:00:00.349545 Performance: 41.284 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:31:32,714 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 59.721 -31884 6545.5 -38429 -38429 -4.8663 -7.4819 0.36452 2.3414e+05 2024-05-17 10:32:07,097 INFO [main.py:798]
{rank 0/64} MD step = 134000 step time: 00:00:00.353187 Performance: 41.286 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:32:12,487 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 59.742 -31807 6547.8 -38355 -38355 -4.871 -7.4871 0.36551 2.3432e+05 2024-05-17 10:32:47,328 INFO [main.py:798]
{rank 0/64} MD step = 134100 step time: 00:00:00.385579 Performance: 41.287 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:32:53,398 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 59.83 -31898 6557.4 -38455 -38455 -4.8748 -7.4917 0.36567 2.3448e+05 2024-05-17 10:33:27,607 INFO [main.py:798]
{rank 0/64} MD step = 134200 step time: 00:00:00.340931 Performance: 41.288 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:33:33,678 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 134200 26840 60.294 -31760 6608.3 -38369 -38369 -4.8774 -7.497 0.36724 2.3469e+05 2024-05-17 10:34:08,509 INFO [main.py:798]
{rank 0/64} MD step = 134300 step time: 00:00:00.349431 Performance: 41.289 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:34:13,421 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 134300 26860 59.366 -31951 6506.6 -38458 -38458 -4.882 -7.5023 0.36773 2.3483e+05 2024-05-17 10:34:49,387 INFO [main.py:798]
{rank 0/64} MD step = 134400 step time: 00:00:00.343813 Performance: 41.289 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:34:58,916 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 134400 26880 60.56 -31873 6637.4 -38511 -38511 -4.885 -7.5083 0.36859 2.3499e+05 2024-05-17 10:35:33,424 INFO [main.py:798]
{rank 0/64} MD step = 134500 step time: 00:00:00.357046 Performance: 41.288 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:35:46,128 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 134500 26900 60.199 -31831 6597.9 -38429 -38429 -4.8875 -7.5143 0.3666 2.3514e+05 2024-05-17 10:36:20,359 INFO [main.py:798]
{rank 0/64} MD step = 134600 step time: 00:00:00.376014 Performance: 41.284 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:36:26,524 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 59.775 -31775 6551.4 -38327 -38327 -4.8895 -7.5202 0.36787 2.3534e+05 2024-05-17 10:37:00,869 INFO [main.py:798]
{rank 0/64} MD step = 134700 step time: 00:00:00.351567 Performance: 41.285 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:37:06,166 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 59.884 -31720 6563.3 -38284 -38284 -4.8928 -7.5254 0.36849 2.3552e+05 2024-05-17 10:37:41,216 INFO [main.py:798]
{rank 0/64} MD step = 134800 step time: 00:00:00.351424 Performance: 41.286 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:37:46,701 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 59.733 -31907 6546.8 -38453 -38453 -4.8971 -7.5311 0.36859 2.3567e+05 2024-05-17 10:38:21,339 INFO [main.py:798]
{rank 0/64} MD step = 134900 step time: 00:00:00.348923 Performance: 41.287 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:38:27,676 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 60.175 -31881 6595.3 -38476 -38476 -4.9015 -7.538 0.36835 2.3587e+05 2024-05-17 10:39:01,193 INFO [main.py:798]
{rank 0/64} MD step = 135000 step time: 00:00:00.332398 Performance: 41.289 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:39:06,741 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135000 27000 60.066 -31874 6583.3 -38457 -38457 -4.9066 -7.5436 0.37029 2.3608e+05 2024-05-17 10:39:41,888 INFO [main.py:798]
{rank 0/64} MD step = 135100 step time: 00:00:00.330645 Performance: 41.290 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:39:47,066 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 60.359 -31967 6615.5 -38583 -38583 -4.9114 -7.5478 0.36962 2.3621e+05 2024-05-17 10:40:21,900 INFO [main.py:798]
{rank 0/64} MD step = 135200 step time: 00:00:00.357727 Performance: 41.291 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 10:40:27,435 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135200 27040 59.981 -31935 6574 -38509 -38509 -4.9155 -7.5536 0.37107 2.364e+05 2024-05-17 10:41:02,010 INFO [main.py:798]
{rank 0/64} MD step = 135300 step time: 00:00:00.353453 Performance: 41.292 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 10:41:07,012 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135300 27060 60.309 -31888 6610 -38498 -38498 -4.918 -7.5605 0.37052 2.3657e+05 2024-05-17 10:41:42,868 INFO [main.py:798]
{rank 0/64} MD step = 135400 step time: 00:00:00.361064 Performance: 41.293 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 10:41:52,872 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 60.162 -31875 6593.8 -38469 -38469 -4.9208 -7.5663 0.36975 2.3676e+05 2024-05-17 10:42:28,510 INFO [main.py:798]
{rank 0/64} MD step = 135500 step time: 00:00:00.328715 Performance: 41.290 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:42:37,817 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135500 27100 60.056 -31863 6582.3 -38445 -38445 -4.9257 -7.5714 0.37025 2.3693e+05 2024-05-17 10:43:12,824 INFO [main.py:798]
{rank 0/64} MD step = 135600 step time: 00:00:00.361902 Performance: 41.288 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:43:20,762 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135600 27120 59.804 -31801 6554.6 -38355 -38355 -4.9276 -7.5776 0.37193 2.3711e+05 2024-05-17 10:43:56,809 INFO [main.py:798]
{rank 0/64} MD step = 135700 step time: 00:00:00.355986 Performance: 41.287 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:44:04,133 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135700 27140 59.889 -31780 6563.9 -38344 -38344 -4.9306 -7.5828 0.37255 2.3728e+05 2024-05-17 10:44:38,564 INFO [main.py:798]
{rank 0/64} MD step = 135800 step time: 00:00:00.335027 Performance: 41.287 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:44:44,070 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135800 27160 59.699 -31986 6543.1 -38529 -38529 -4.9355 -7.5874 0.37339 2.3743e+05 2024-05-17 10:45:20,234 INFO [main.py:798]
{rank 0/64} MD step = 135900 step time: 00:00:00.479626 Performance: 41.287 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:45:26,010 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135900 27180 60.011 -31871 6577.3 -38449 -38449 -4.938 -7.5924 0.37318 2.376e+05 2024-05-17 10:46:00,391 INFO [main.py:798]
{rank 0/64} MD step = 136000 step time: 00:00:00.335222 Performance: 41.288 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:46:05,974 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 136000 27200 60.923 -31759 6677.2 -38436 -38436 -4.9418 -7.5963 0.37425 2.3777e+05 2024-05-17 10:46:39,941 INFO [main.py:798]
{rank 0/64} MD step = 136100 step time: 00:00:00.342758 Performance: 41.290 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:46:44,936 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 59.182 -32061 6486.4 -38547 -38547 -4.9462 -7.602 0.37587 2.3792e+05 2024-05-17 10:47:20,940 INFO [main.py:798]
{rank 0/64} MD step = 136200 step time: 00:00:00.376223 Performance: 41.291 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:47:27,125 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 136200 27240 59.102 -32076 6477.7 -38553 -38553 -4.9507 -7.6068 0.37581 2.381e+05 2024-05-17 10:48:01,558 INFO [main.py:798]
{rank 0/64} MD step = 136300 step time: 00:00:00.344691 Performance: 41.291 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 10:48:09,947 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 59.444 -32076 6515.1 -38591 -38591 -4.9546 -7.6119 0.3769 2.3828e+05 2024-05-17 10:48:45,001 INFO [main.py:798]
{rank 0/64} MD step = 136400 step time: 00:00:00.327183 Performance: 41.290 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 10:48:50,864 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 136400 27280 59.905 -31931 6565.7 -38496 -38496 -4.9605 -7.6168 0.37841 2.3848e+05 2024-05-17 10:49:25,760 INFO [main.py:798]
{rank 0/64} MD step = 136500 step time: 00:00:00.332176 Performance: 41.291 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 10:49:31,171 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 136500 27300 60.109 -31967 6588 -38555 -38555 -4.9649 -7.6207 0.37899 2.3861e+05 2024-05-17 10:50:05,747 INFO [main.py:798]
{rank 0/64} MD step = 136600 step time: 00:00:00.346201 Performance: 41.292 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 10:50:11,792 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 60.216 -31939 6599.8 -38539 -38539 -4.9679 -7.6261 0.3783 2.3879e+05 2024-05-17 10:50:45,646 INFO [main.py:798]
{rank 0/64} MD step = 136700 step time: 00:00:00.336651 Performance: 41.294 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 10:50:53,704 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 60.352 -32010 6614.7 -38625 -38625 -4.9719 -7.6307 0.37854 2.3895e+05 2024-05-17 10:51:28,403 INFO [main.py:798]
{rank 0/64} MD step = 136800 step time: 00:00:00.362017 Performance: 41.293 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 10:51:33,695 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 60.202 -32114 6598.2 -38712 -38712 -4.9729 -7.6368 0.38033 2.3913e+05 2024-05-17 10:52:08,873 INFO [main.py:798]
{rank 0/64} MD step = 136900 step time: 00:00:00.348818 Performance: 41.294 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 10:52:16,735 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 136900 27380 59.442 -32083 6514.9 -38597 -38597 -4.9776 -7.6423 0.38143 2.3936e+05 2024-05-17 10:52:53,965 INFO [main.py:798]
{rank 0/64} MD step = 137000 step time: 00:00:00.368665 Performance: 41.292 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 10:52:59,029 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 137000 27400 59.884 -31995 6563.3 -38558 -38558 -4.9808 -7.6477 0.38231 2.3952e+05 2024-05-17 10:53:33,684 INFO [main.py:798]
{rank 0/64} MD step = 137100 step time: 00:00:00.349371 Performance: 41.293 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 10:53:38,557 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 137100 27420 60.538 -31851 6635.1 -38486 -38486 -4.9843 -7.6541 0.38131 2.397e+05 2024-05-17 10:54:12,739 INFO [main.py:798]
{rank 0/64} MD step = 137200 step time: 00:00:00.339373 Performance: 41.295 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 10:54:18,543 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 59.877 -31939 6562.6 -38501 -38501 -4.9892 -7.6581 0.38052 2.399e+05 2024-05-17 10:54:53,178 INFO [main.py:798]
{rank 0/64} MD step = 137300 step time: 00:00:00.357480 Performance: 41.296 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 10:54:58,760 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 137300 27460 60.149 -31864 6592.4 -38456 -38456 -4.9938 -7.6629 0.38186 2.4002e+05 2024-05-17 10:55:32,477 INFO [main.py:798]
{rank 0/64} MD step = 137400 step time: 00:00:00.331626 Performance: 41.298 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 10:55:37,860 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 59.094 -32059 6476.7 -38535 -38535 -4.9986 -7.6678 0.38128 2.4021e+05 2024-05-17 10:56:12,533 INFO [main.py:798]
{rank 0/64} MD step = 137500 step time: 00:00:00.336923 Performance: 41.299 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 10:56:19,863 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 60.002 -31919 6576.3 -38496 -38496 -5.0012 -7.6729 0.38208 2.4038e+05 2024-05-17 10:56:54,729 INFO [main.py:798]
{rank 0/64} MD step = 137600 step time: 00:00:00.330437 Performance: 41.299 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 10:57:01,798 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 60.181 -31969 6595.9 -38564 -38564 -5.0043 -7.6783 0.38308 2.4058e+05 2024-05-17 10:57:36,315 INFO [main.py:798]
{rank 0/64} MD step = 137700 step time: 00:00:00.351962 Performance: 41.299 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 10:57:39,875 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 59.477 -31894 6518.7 -38412 -38412 -5.0076 -7.6829 0.38455 2.4074e+05 2024-05-17 10:58:15,528 INFO [main.py:798]
{rank 0/64} MD step = 137800 step time: 00:00:00.334890 Performance: 41.301 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 10:58:21,149 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 137800 27560 60.052 -31951 6581.8 -38533 -38533 -5.0094 -7.6879 0.38444 2.4092e+05 2024-05-17 10:58:55,493 INFO [main.py:798]
{rank 0/64} MD step = 137900 step time: 00:00:00.327776 Performance: 41.303 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 10:59:01,409 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 58.812 -31988 6445.9 -38434 -38434 -5.0115 -7.6923 0.38354 2.4111e+05 2024-05-17 10:59:37,869 INFO [main.py:798]
{rank 0/64} MD step = 138000 step time: 00:00:00.332850 Performance: 41.302 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 10:59:43,776 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 61.278 -31783 6716.2 -38499 -38499 -5.0151 -7.6974 0.38501 2.4123e+05 2024-05-17 11:00:18,933 INFO [main.py:798]
{rank 0/64} MD step = 138100 step time: 00:00:00.340318 Performance: 41.303 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 11:00:25,528 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 60.41 -31929 6621 -38550 -38550 -5.0184 -7.7023 0.38467 2.4144e+05 2024-05-17 11:01:02,005 INFO [main.py:798]
{rank 0/64} MD step = 138200 step time: 00:00:00.333938 Performance: 41.302 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 11:01:07,493 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138200 27640 60.652 -31865 6647.5 -38513 -38513 -5.0211 -7.708 0.38469 2.4157e+05 2024-05-17 11:01:41,831 INFO [main.py:798]
{rank 0/64} MD step = 138300 step time: 00:00:00.338451 Performance: 41.303 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 11:01:47,186 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138300 27660 60.288 -31854 6607.6 -38461 -38461 -5.0233 -7.7134 0.38577 2.4175e+05 2024-05-17 11:02:21,686 INFO [main.py:798]
{rank 0/64} MD step = 138400 step time: 00:00:00.336706 Performance: 41.305 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 11:02:44,035 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138400 27680 60.802 -31846 6664 -38510 -38510 -5.0274 -7.7188 0.38636 2.4194e+05 2024-05-17 11:03:18,322 INFO [main.py:798]
{rank 0/64} MD step = 138500 step time: 00:00:00.340916 Performance: 41.294 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 11:03:23,861 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138500 27700 60.665 -31829 6649 -38478 -38478 -5.0305 -7.7245 0.38736 2.421e+05 2024-05-17 11:03:58,493 INFO [main.py:798]
{rank 0/64} MD step = 138600 step time: 00:00:00.346124 Performance: 41.295 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 11:04:04,255 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138600 27720 60.195 -31840 6597.4 -38438 -38438 -5.0314 -7.73 0.38796 2.423e+05 2024-05-17 11:04:39,222 INFO [main.py:798]
{rank 0/64} MD step = 138700 step time: 00:00:00.342197 Performance: 41.296 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 11:04:44,733 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138700 27740 59.837 -31805 6558.2 -38363 -38363 -5.0343 -7.7369 0.38715 2.425e+05 2024-05-17 11:05:19,451 INFO [main.py:798]
{rank 0/64} MD step = 138800 step time: 00:00:00.339060 Performance: 41.297 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 11:05:23,524 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138800 27760 61.11 -31854 6697.8 -38552 -38552 -5.0383 -7.7418 0.38639 2.4267e+05 2024-05-17 11:05:59,514 INFO [main.py:798]
{rank 0/64} MD step = 138900 step time: 00:00:00.365027 Performance: 41.299 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 11:06:05,404 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 60.516 -31814 6632.6 -38447 -38447 -5.0407 -7.7479 0.38616 2.4286e+05 2024-05-17 11:06:40,196 INFO [main.py:798]
{rank 0/64} MD step = 139000 step time: 00:00:00.335585 Performance: 41.299 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 11:06:44,154 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139000 27800 59.551 -31965 6526.9 -38492 -38492 -5.0441 -7.7525 0.38654 2.4303e+05 2024-05-17 11:07:19,802 INFO [main.py:798]
{rank 0/64} MD step = 139100 step time: 00:00:00.338420 Performance: 41.301 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 11:07:25,538 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139100 27820 60.014 -31959 6577.6 -38536 -38536 -5.0479 -7.7578 0.38655 2.432e+05 2024-05-17 11:08:02,975 INFO [main.py:798]
{rank 0/64} MD step = 139200 step time: 00:00:00.371815 Performance: 41.300 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 11:08:09,502 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139200 27840 59.792 -31981 6553.2 -38534 -38534 -5.0508 -7.7621 0.38699 2.4336e+05 2024-05-17 11:08:43,354 INFO [main.py:798]
{rank 0/64} MD step = 139300 step time: 00:00:00.355717 Performance: 41.301 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 11:08:53,799 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 59.491 -31784 6520.2 -38305 -38305 -5.0551 -7.7684 0.3881 2.4356e+05 2024-05-17 11:09:29,761 INFO [main.py:798]
{rank 0/64} MD step = 139400 step time: 00:00:00.349788 Performance: 41.298 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 11:09:37,537 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139400 27880 60.938 -31786 6678.8 -38465 -38465 -5.0585 -7.7735 0.38867 2.4369e+05 2024-05-17 11:10:11,866 INFO [main.py:798]
{rank 0/64} MD step = 139500 step time: 00:00:00.383321 Performance: 41.298 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 11:10:17,404 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 59.038 -31972 6470.7 -38442 -38442 -5.0628 -7.7794 0.38966 2.4384e+05 2024-05-17 11:10:52,380 INFO [main.py:798]
{rank 0/64} MD step = 139600 step time: 00:00:00.367950 Performance: 41.299 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 11:10:57,604 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139600 27920 60.816 -31708 6665.5 -38374 -38374 -5.0659 -7.7845 0.38901 2.4406e+05 2024-05-17 11:11:33,387 INFO [main.py:798]
{rank 0/64} MD step = 139700 step time: 00:00:00.354578 Performance: 41.299 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 11:11:38,607 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139700 27940 60.356 -31935 6615.1 -38550 -38550 -5.0697 -7.7887 0.3886 2.4422e+05 2024-05-17 11:12:13,190 INFO [main.py:798]
{rank 0/64} MD step = 139800 step time: 00:00:00.351611 Performance: 41.301 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 11:12:21,391 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139800 27960 60.36 -31857 6615.5 -38473 -38473 -5.0742 -7.7946 0.38835 2.4441e+05 2024-05-17 11:12:55,763 INFO [main.py:798]
{rank 0/64} MD step = 139900 step time: 00:00:00.365913 Performance: 41.300 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 11:13:00,238 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 59.877 -31762 6562.6 -38325 -38325 -5.0767 -7.8009 0.3897 2.4461e+05 2024-05-17 11:13:36,796 INFO [main.py:798]
{rank 0/64} MD step = 140000 step time: 00:00:00.385865 Performance: 41.301 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 11:13:42,110 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 140000 28000 59.19 -31940 6487.3 -38427 -38427 -5.079 -7.807 0.38789 2.4477e+05 2024-05-17 11:14:16,506 INFO [main.py:798]
{rank 0/64} MD step = 140100 step time: 00:00:00.351617 Performance: 41.302 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 11:14:21,485 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 140100 28020 59.833 -31944 6557.8 -38502 -38502 -5.0814 -7.8138 0.38703 2.4493e+05 2024-05-17 11:14:57,004 INFO [main.py:798]
{rank 0/64} MD step = 140200 step time: 00:00:00.348920 Performance: 41.303 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 11:15:02,649 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 140200 28040 60.199 -31828 6597.9 -38426 -38426 -5.0846 -7.8196 0.38768 2.4513e+05 2024-05-17 11:15:36,516 INFO [main.py:798]
{rank 0/64} MD step = 140300 step time: 00:00:00.358796 Performance: 41.305 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 11:15:42,455 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 60.888 -31643 6673.4 -38316 -38316 -5.0884 -7.8246 0.38866 2.4534e+05 2024-05-17 11:16:18,040 INFO [main.py:798]
{rank 0/64} MD step = 140400 step time: 00:00:00.354232 Performance: 41.305 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 11:16:24,491 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 60.655 -31816 6647.8 -38464 -38464 -5.091 -7.8289 0.38922 2.4549e+05 2024-05-17 11:17:02,306 INFO [main.py:798]
{rank 0/64} MD step = 140500 step time: 00:00:00.354879 Performance: 41.303 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 11:17:08,845 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 59.466 -31865 6517.6 -38383 -38383 -5.0942 -7.8343 0.38897 2.4567e+05 2024-05-17 11:17:44,067 INFO [main.py:798]
{rank 0/64} MD step = 140600 step time: 00:00:00.340960 Performance: 41.303 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 11:17:48,232 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 140600 28120 60.945 -31786 6679.6 -38466 -38466 -5.0963 -7.8399 0.38996 2.4585e+05 2024-05-17 11:18:24,809 INFO [main.py:798]
{rank 0/64} MD step = 140700 step time: 00:00:00.360297 Performance: 41.304 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 11:18:30,399 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 60.004 -31782 6576.5 -38359 -38359 -5.0991 -7.8451 0.38981 2.4604e+05 2024-05-17 11:19:04,656 INFO [main.py:798]
{rank 0/64} MD step = 140800 step time: 00:00:00.353461 Performance: 41.306 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 11:19:10,407 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 59.308 -31937 6500.2 -38437 -38437 -5.1019 -7.8492 0.39279 2.4618e+05 2024-05-17 11:19:45,099 INFO [main.py:798]
{rank 0/64} MD step = 140900 step time: 00:00:00.342815 Performance: 41.307 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 11:19:50,697 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 140900 28180 60.047 -31735 6581.3 -38317 -38317 -5.1046 -7.8539 0.39256 2.4641e+05 2024-05-17 11:20:26,674 INFO [main.py:798]
{rank 0/64} MD step = 141000 step time: 00:00:00.362166 Performance: 41.307 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 11:20:32,360 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141000 28200 59.303 -32082 6499.6 -38582 -38582 -5.1061 -7.8586 0.3931 2.4656e+05 2024-05-17 11:21:06,415 INFO [main.py:798]
{rank 0/64} MD step = 141100 step time: 00:00:00.345770 Performance: 41.308 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:21:11,125 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141100 28220 59.675 -31894 6540.5 -38434 -38434 -5.1083 -7.8629 0.3932 2.4676e+05 2024-05-17 11:21:47,242 INFO [main.py:798]
{rank 0/64} MD step = 141200 step time: 00:00:00.359531 Performance: 41.309 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:21:52,459 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 60.14 -31920 6591.4 -38512 -38512 -5.1098 -7.8691 0.3929 2.4693e+05 2024-05-17 11:22:27,014 INFO [main.py:798]
{rank 0/64} MD step = 141300 step time: 00:00:00.344969 Performance: 41.310 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:22:32,983 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141300 28260 60.052 -31958 6581.7 -38540 -38540 -5.1122 -7.8747 0.39384 2.4707e+05 2024-05-17 11:23:09,560 INFO [main.py:798]
{rank 0/64} MD step = 141400 step time: 00:00:00.337935 Performance: 41.310 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:23:15,086 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141400 28280 59.302 -31899 6499.6 -38398 -38398 -5.1154 -7.8794 0.39404 2.4725e+05 2024-05-17 11:23:51,010 INFO [main.py:798]
{rank 0/64} MD step = 141500 step time: 00:00:00.351426 Performance: 41.310 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:23:58,863 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141500 28300 60.215 -31879 6599.6 -38479 -38479 -5.1185 -7.8843 0.39364 2.4743e+05 2024-05-17 11:24:33,939 INFO [main.py:798]
{rank 0/64} MD step = 141600 step time: 00:00:00.353118 Performance: 41.309 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:24:38,977 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141600 28320 59.627 -31864 6535.2 -38399 -38399 -5.1228 -7.8892 0.39357 2.4761e+05 2024-05-17 11:25:13,751 INFO [main.py:798]
{rank 0/64} MD step = 141700 step time: 00:00:00.372438 Performance: 41.311 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:25:19,588 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141700 28340 59.6 -31943 6532.2 -38475 -38475 -5.1273 -7.8952 0.39389 2.4776e+05 2024-05-17 11:25:54,404 INFO [main.py:798]
{rank 0/64} MD step = 141800 step time: 00:00:00.350162 Performance: 41.312 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:25:59,778 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141800 28360 59.959 -31728 6571.6 -38300 -38300 -5.1297 -7.9007 0.39471 2.4795e+05 2024-05-17 11:26:33,666 INFO [main.py:798]
{rank 0/64} MD step = 141900 step time: 00:00:00.329820 Performance: 41.313 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:26:38,229 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141900 28380 60.144 -31844 6591.9 -38436 -38436 -5.1329 -7.9057 0.39635 2.4813e+05 2024-05-17 11:27:14,504 INFO [main.py:798]
{rank 0/64} MD step = 142000 step time: 00:00:00.326077 Performance: 41.314 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:27:20,618 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 142000 28400 59.879 -31771 6562.9 -38334 -38334 -5.1358 -7.9102 0.3973 2.4834e+05 2024-05-17 11:27:55,428 INFO [main.py:798]
{rank 0/64} MD step = 142100 step time: 00:00:00.357690 Performance: 41.315 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:28:01,115 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 142100 28420 60.085 -31842 6585.3 -38427 -38427 -5.1389 -7.914 0.39757 2.4847e+05 2024-05-17 11:28:35,816 INFO [main.py:798]
{rank 0/64} MD step = 142200 step time: 00:00:00.351102 Performance: 41.316 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:28:41,954 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 60.286 -31792 6607.4 -38399 -38399 -5.1413 -7.9196 0.3984 2.4867e+05 2024-05-17 11:29:16,373 INFO [main.py:798]
{rank 0/64} MD step = 142300 step time: 00:00:00.345773 Performance: 41.317 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:29:23,269 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 60.19 -31916 6596.9 -38513 -38513 -5.1442 -7.9242 0.40025 2.4882e+05 2024-05-17 11:29:58,159 INFO [main.py:798]
{rank 0/64} MD step = 142400 step time: 00:00:00.346850 Performance: 41.317 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:30:04,944 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 142400 28480 60.351 -31718 6614.6 -38332 -38332 -5.1465 -7.9287 0.39897 2.4904e+05 2024-05-17 11:30:39,420 INFO [main.py:798]
{rank 0/64} MD step = 142500 step time: 00:00:00.355791 Performance: 41.317 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:30:48,620 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 142500 28500 59.093 -31948 6476.7 -38425 -38425 -5.1499 -7.9328 0.40118 2.492e+05 2024-05-17 11:31:25,409 INFO [main.py:798]
{rank 0/64} MD step = 142600 step time: 00:00:00.370562 Performance: 41.314 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:31:31,923 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 142600 28520 60.098 -31831 6586.8 -38418 -38418 -5.1531 -7.9395 0.40273 2.4935e+05 2024-05-17 11:32:05,625 INFO [main.py:798]
{rank 0/64} MD step = 142700 step time: 00:00:00.328114 Performance: 41.315 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:32:11,702 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 59.375 -31834 6507.5 -38342 -38342 -5.1578 -7.9459 0.40208 2.4952e+05 2024-05-17 11:32:46,608 INFO [main.py:798]
{rank 0/64} MD step = 142800 step time: 00:00:00.338372 Performance: 41.316 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:32:52,464 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 142800 28560 59.29 -31907 6498.3 -38406 -38406 -5.1622 -7.9524 0.40164 2.4968e+05 2024-05-17 11:33:26,965 INFO [main.py:798]
{rank 0/64} MD step = 142900 step time: 00:00:00.351678 Performance: 41.317 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:33:32,671 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 59.712 -31812 6544.5 -38356 -38356 -5.1673 -7.9574 0.39976 2.4987e+05 2024-05-17 11:34:07,561 INFO [main.py:798]
{rank 0/64} MD step = 143000 step time: 00:00:00.360483 Performance: 41.318 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:34:11,451 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 143000 28600 60.276 -31707 6606.3 -38313 -38313 -5.1707 -7.9623 0.40067 2.5002e+05 2024-05-17 11:34:47,662 INFO [main.py:798]
{rank 0/64} MD step = 143100 step time: 00:00:00.357082 Performance: 41.319 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:34:53,451 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 59.771 -31861 6551 -38412 -38412 -5.1746 -7.9664 0.40141 2.5018e+05 2024-05-17 11:35:29,700 INFO [main.py:798]
{rank 0/64} MD step = 143200 step time: 00:00:00.354812 Performance: 41.319 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:35:35,588 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 143200 28640 60.776 -31851 6661.2 -38512 -38512 -5.179 -7.9714 0.40063 2.5035e+05 2024-05-17 11:36:10,168 INFO [main.py:798]
{rank 0/64} MD step = 143300 step time: 00:00:00.353959 Performance: 41.320 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:36:17,198 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 143300 28660 60 -31905 6576.1 -38481 -38481 -5.1821 -7.9758 0.40092 2.5056e+05 2024-05-17 11:36:51,893 INFO [main.py:798]
{rank 0/64} MD step = 143400 step time: 00:00:00.340999 Performance: 41.320 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:36:57,689 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 59.27 -31996 6496.1 -38492 -38492 -5.1858 -7.9809 0.40056 2.5072e+05 2024-05-17 11:37:32,001 INFO [main.py:798]
{rank 0/64} MD step = 143500 step time: 00:00:00.329203 Performance: 41.321 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:37:42,797 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 59.842 -31976 6558.8 -38535 -38535 -5.1904 -7.9859 0.40103 2.509e+05 2024-05-17 11:38:19,204 INFO [main.py:798]
{rank 0/64} MD step = 143600 step time: 00:00:00.331688 Performance: 41.317 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:38:32,639 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 143600 28720 59.772 -31986 6551.1 -38537 -38537 -5.1931 -7.9906 0.40102 2.5108e+05 2024-05-17 11:39:07,134 INFO [main.py:798]
{rank 0/64} MD step = 143700 step time: 00:00:00.339565 Performance: 41.313 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:39:12,585 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 59.393 -32060 6509.6 -38570 -38570 -5.1964 -7.9972 0.40162 2.5129e+05 2024-05-17 11:39:48,734 INFO [main.py:798]
{rank 0/64} MD step = 143800 step time: 00:00:00.371623 Performance: 41.313 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:39:54,470 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 143800 28760 60.089 -31925 6585.8 -38511 -38511 -5.2001 -8.005 0.40235 2.5148e+05 2024-05-17 11:40:28,459 INFO [main.py:798]
{rank 0/64} MD step = 143900 step time: 00:00:00.352489 Performance: 41.315 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:40:33,762 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 143900 28780 60.497 -31864 6630.5 -38495 -38495 -5.2024 -8.0114 0.40355 2.5169e+05 2024-05-17 11:41:08,442 INFO [main.py:798]
{rank 0/64} MD step = 144000 step time: 00:00:00.385725 Performance: 41.316 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:41:13,693 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144000 28800 60.09 -31882 6585.9 -38468 -38468 -5.2072 -8.0164 0.40412 2.5184e+05 2024-05-17 11:41:49,607 INFO [main.py:798]
{rank 0/64} MD step = 144100 step time: 00:00:00.357103 Performance: 41.316 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:41:55,260 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144100 28820 59.67 -32001 6539.9 -38541 -38541 -5.2099 -8.0233 0.40362 2.52e+05 2024-05-17 11:42:30,567 INFO [main.py:798]
{rank 0/64} MD step = 144200 step time: 00:00:00.376689 Performance: 41.317 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:42:36,470 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 59.818 -31992 6556.1 -38548 -38548 -5.2131 -8.0293 0.40402 2.5222e+05 2024-05-17 11:43:10,802 INFO [main.py:798]
{rank 0/64} MD step = 144300 step time: 00:00:00.334799 Performance: 41.318 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:43:17,612 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144300 28860 60.824 -31899 6666.4 -38565 -38565 -5.2177 -8.0345 0.40411 2.5238e+05 2024-05-17 11:43:54,439 INFO [main.py:798]
{rank 0/64} MD step = 144400 step time: 00:00:00.330548 Performance: 41.317 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:44:01,556 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144400 28880 60.625 -31804 6644.6 -38448 -38448 -5.2228 -8.0418 0.40473 2.5257e+05 2024-05-17 11:44:35,605 INFO [main.py:798]
{rank 0/64} MD step = 144500 step time: 00:00:00.335756 Performance: 41.317 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:44:44,265 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144500 28900 60.244 -31909 6602.8 -38512 -38512 -5.2277 -8.0474 0.40528 2.5273e+05 2024-05-17 11:45:20,996 INFO [main.py:798]
{rank 0/64} MD step = 144600 step time: 00:00:00.326964 Performance: 41.315 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:45:27,845 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144600 28920 59.197 -32027 6488 -38515 -38515 -5.2319 -8.053 0.40608 2.5292e+05 2024-05-17 11:46:02,453 INFO [main.py:798]
{rank 0/64} MD step = 144700 step time: 00:00:00.334766 Performance: 41.315 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:46:07,480 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 60.131 -31787 6590.4 -38378 -38378 -5.2359 -8.0582 0.40654 2.5311e+05 2024-05-17 11:46:42,373 INFO [main.py:798]
{rank 0/64} MD step = 144800 step time: 00:00:00.335929 Performance: 41.316 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:46:48,376 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 60.474 -31873 6628 -38501 -38501 -5.2415 -8.0632 0.40696 2.5326e+05 2024-05-17 11:47:22,738 INFO [main.py:798]
{rank 0/64} MD step = 144900 step time: 00:00:00.332524 Performance: 41.317 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:47:27,812 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144900 28980 60.155 -31904 6593.1 -38497 -38497 -5.2465 -8.0689 0.40678 2.5341e+05 2024-05-17 11:48:02,747 INFO [main.py:798]
{rank 0/64} MD step = 145000 step time: 00:00:00.330280 Performance: 41.318 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:48:08,198 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 60.194 -31774 6597.4 -38371 -38371 -5.2508 -8.0743 0.40654 2.5366e+05 2024-05-17 11:48:42,950 INFO [main.py:798]
{rank 0/64} MD step = 145100 step time: 00:00:00.331813 Performance: 41.320 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:48:48,573 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 145100 29020 60.546 -31944 6635.9 -38580 -38580 -5.255 -8.0811 0.40549 2.5378e+05 2024-05-17 11:49:24,809 INFO [main.py:798]
{rank 0/64} MD step = 145200 step time: 00:00:00.380830 Performance: 41.320 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:49:36,757 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 145200 29040 60.736 -31847 6656.7 -38504 -38504 -5.2576 -8.0864 0.40544 2.5395e+05 2024-05-17 11:50:10,753 INFO [main.py:798]
{rank 0/64} MD step = 145300 step time: 00:00:00.346658 Performance: 41.317 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:50:19,609 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 145300 29060 59.377 -32009 6507.8 -38517 -38517 -5.2614 -8.0916 0.40522 2.5413e+05 2024-05-17 11:50:57,487 INFO [main.py:798]
{rank 0/64} MD step = 145400 step time: 00:00:00.366502 Performance: 41.313 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:51:03,786 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 145400 29080 59.623 -31915 6534.8 -38450 -38450 -5.2654 -8.0965 0.40628 2.5431e+05 2024-05-17 11:51:37,704 INFO [main.py:798]
{rank 0/64} MD step = 145500 step time: 00:00:00.341441 Performance: 41.314 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:51:43,774 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 61.208 -31783 6708.4 -38491 -38491 -5.2698 -8.1015 0.40595 2.5448e+05 2024-05-17 11:52:19,118 INFO [main.py:798]
{rank 0/64} MD step = 145600 step time: 00:00:00.352856 Performance: 41.315 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:52:24,105 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 145600 29120 59.789 -31984 6552.9 -38537 -38537 -5.2719 -8.1075 0.40547 2.5463e+05 2024-05-17 11:52:59,974 INFO [main.py:798]
{rank 0/64} MD step = 145700 step time: 00:00:00.333348 Performance: 41.315 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:53:05,911 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 61.279 -31778 6716.2 -38495 -38495 -5.2756 -8.1138 0.40682 2.548e+05 2024-05-17 11:53:42,929 INFO [main.py:798]
{rank 0/64} MD step = 145800 step time: 00:00:00.378899 Performance: 41.315 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:53:48,056 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 145800 29160 60.213 -31934 6599.5 -38534 -38534 -5.2783 -8.1182 0.40796 2.55e+05 2024-05-17 11:54:23,256 INFO [main.py:798]
{rank 0/64} MD step = 145900 step time: 00:00:00.352487 Performance: 41.316 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:54:30,076 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 145900 29180 60.062 -31965 6582.9 -38547 -38547 -5.2822 -8.1235 0.40758 2.5516e+05 2024-05-17 11:55:04,578 INFO [main.py:798]
{rank 0/64} MD step = 146000 step time: 00:00:00.352727 Performance: 41.316 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:55:13,006 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146000 29200 60.828 -31867 6666.8 -38534 -38534 -5.2862 -8.1286 0.4072 2.5535e+05 2024-05-17 11:55:47,682 INFO [main.py:798]
{rank 0/64} MD step = 146100 step time: 00:00:00.335767 Performance: 41.315 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:55:54,951 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146100 29220 59.737 -32003 6547.3 -38550 -38550 -5.2912 -8.1331 0.40638 2.555e+05 2024-05-17 11:56:29,548 INFO [main.py:798]
{rank 0/64} MD step = 146200 step time: 00:00:00.344000 Performance: 41.315 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:56:35,709 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146200 29240 60.055 -31958 6582.1 -38540 -38540 -5.2944 -8.1368 0.40616 2.5565e+05 2024-05-17 11:57:10,545 INFO [main.py:798]
{rank 0/64} MD step = 146300 step time: 00:00:00.334608 Performance: 41.316 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:57:16,146 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146300 29260 59.966 -31916 6572.3 -38488 -38488 -5.2977 -8.1415 0.40585 2.5582e+05 2024-05-17 11:57:51,361 INFO [main.py:798]
{rank 0/64} MD step = 146400 step time: 00:00:00.349890 Performance: 41.316 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:57:57,562 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146400 29280 59.201 -31931 6488.5 -38420 -38420 -5.2989 -8.1458 0.40608 2.5604e+05 2024-05-17 11:58:37,570 INFO [main.py:798]
{rank 0/64} MD step = 146500 step time: 00:00:00.369515 Performance: 41.313 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:58:44,092 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146500 29300 60.446 -31703 6625 -38328 -38328 -5.3012 -8.151 0.40666 2.5623e+05 2024-05-17 11:59:19,529 INFO [main.py:798]
{rank 0/64} MD step = 146600 step time: 00:00:00.355710 Performance: 41.313 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 11:59:24,457 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146600 29320 59.973 -31936 6573.1 -38510 -38510 -5.3034 -8.1562 0.40778 2.5636e+05 2024-05-17 12:00:00,063 INFO [main.py:798]
{rank 0/64} MD step = 146700 step time: 00:00:00.338206 Performance: 41.314 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:00:06,584 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146700 29340 60.717 -31718 6654.6 -38373 -38373 -5.3058 -8.1629 0.41029 2.5654e+05 2024-05-17 12:00:41,849 INFO [main.py:798]
{rank 0/64} MD step = 146800 step time: 00:00:00.352441 Performance: 41.314 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:00:49,086 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146800 29360 59.709 -31992 6544.1 -38536 -38536 -5.3083 -8.1687 0.41145 2.567e+05 2024-05-17 12:01:23,573 INFO [main.py:798]
{rank 0/64} MD step = 146900 step time: 00:00:00.352816 Performance: 41.314 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:01:32,538 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146900 29380 60.222 -31745 6600.4 -38345 -38345 -5.3118 -8.1728 0.41084 2.5687e+05 2024-05-17 12:02:07,372 INFO [main.py:798]
{rank 0/64} MD step = 147000 step time: 00:00:00.357427 Performance: 41.313 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:02:19,345 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147000 29400 59.666 -31876 6539.4 -38415 -38415 -5.3128 -8.1792 0.40972 2.5706e+05 2024-05-17 12:02:53,709 INFO [main.py:798]
{rank 0/64} MD step = 147100 step time: 00:00:00.351400 Performance: 41.310 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:03:00,635 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147100 29420 59.842 -31969 6558.8 -38528 -38528 -5.3152 -8.1855 0.41056 2.572e+05 2024-05-17 12:03:36,077 INFO [main.py:798]
{rank 0/64} MD step = 147200 step time: 00:00:00.379348 Performance: 41.310 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:03:41,291 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147200 29440 60.148 -31895 6592.2 -38487 -38487 -5.3188 -8.1907 0.41206 2.5741e+05 2024-05-17 12:04:16,050 INFO [main.py:798]
{rank 0/64} MD step = 147300 step time: 00:00:00.352921 Performance: 41.311 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:04:21,810 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147300 29460 60.257 -31835 6604.2 -38440 -38440 -5.322 -8.1944 0.41133 2.5762e+05 2024-05-17 12:04:57,249 INFO [main.py:798]
{rank 0/64} MD step = 147400 step time: 00:00:00.341830 Performance: 41.311 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:05:02,900 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147400 29480 60.35 -31736 6614.5 -38350 -38350 -5.324 -8.1987 0.41332 2.5778e+05 2024-05-17 12:05:36,750 INFO [main.py:798]
{rank 0/64} MD step = 147500 step time: 00:00:00.370118 Performance: 41.313 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:05:43,625 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147500 29500 59.802 -31839 6554.3 -38393 -38393 -5.3245 -8.2039 0.41385 2.5794e+05 2024-05-17 12:06:19,009 INFO [main.py:798]
{rank 0/64} MD step = 147600 step time: 00:00:00.342869 Performance: 41.312 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:06:26,801 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147600 29520 60.321 -31837 6611.3 -38448 -38448 -5.3257 -8.2091 0.41435 2.5813e+05 2024-05-17 12:07:00,955 INFO [main.py:798]
{rank 0/64} MD step = 147700 step time: 00:00:00.347766 Performance: 41.312 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:07:08,531 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147700 29540 59.787 -32024 6552.8 -38577 -38577 -5.3278 -8.2155 0.41325 2.5829e+05 2024-05-17 12:07:42,689 INFO [main.py:798]
{rank 0/64} MD step = 147800 step time: 00:00:00.353838 Performance: 41.312 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:07:48,611 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 60.139 -31896 6591.3 -38487 -38487 -5.3296 -8.2207 0.41409 2.5847e+05 2024-05-17 12:08:22,816 INFO [main.py:798]
{rank 0/64} MD step = 147900 step time: 00:00:00.348069 Performance: 41.314 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:08:30,810 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147900 29580 60.168 -31964 6594.5 -38558 -38558 -5.3326 -8.2262 0.41485 2.5867e+05 2024-05-17 12:09:07,426 INFO [main.py:798]
{rank 0/64} MD step = 148000 step time: 00:00:00.352626 Performance: 41.312 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:09:13,142 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148000 29600 60.553 -31852 6636.7 -38489 -38489 -5.3355 -8.2317 0.41423 2.5882e+05 2024-05-17 12:09:48,174 INFO [main.py:798]
{rank 0/64} MD step = 148100 step time: 00:00:00.375269 Performance: 41.312 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:09:52,413 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 59.586 -31926 6530.7 -38457 -38457 -5.3376 -8.2389 0.41328 2.5901e+05 2024-05-17 12:10:28,021 INFO [main.py:798]
{rank 0/64} MD step = 148200 step time: 00:00:00.329599 Performance: 41.314 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:10:34,909 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148200 29640 59.667 -32009 6539.6 -38549 -38549 -5.3409 -8.2464 0.41405 2.5921e+05 2024-05-17 12:11:09,682 INFO [main.py:798]
{rank 0/64} MD step = 148300 step time: 00:00:00.333670 Performance: 41.314 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:11:15,246 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 60.216 -31765 6599.8 -38364 -38364 -5.3444 -8.2519 0.41313 2.5939e+05 2024-05-17 12:11:50,136 INFO [main.py:798]
{rank 0/64} MD step = 148400 step time: 00:00:00.342477 Performance: 41.315 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:11:56,090 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148400 29680 59.708 -31744 6544.1 -38288 -38288 -5.3482 -8.2555 0.41252 2.5957e+05 2024-05-17 12:12:30,650 INFO [main.py:798]
{rank 0/64} MD step = 148500 step time: 00:00:00.329260 Performance: 41.316 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:12:36,168 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148500 29700 60.99 -31666 6684.6 -38351 -38351 -5.3511 -8.2604 0.41091 2.5973e+05 2024-05-17 12:13:10,146 INFO [main.py:798]
{rank 0/64} MD step = 148600 step time: 00:00:00.342070 Performance: 41.317 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:13:16,210 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148600 29720 59.633 -31990 6535.9 -38526 -38526 -5.3561 -8.2631 0.40951 2.5988e+05 2024-05-17 12:13:50,696 INFO [main.py:798]
{rank 0/64} MD step = 148700 step time: 00:00:00.348220 Performance: 41.318 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:13:57,123 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148700 29740 59.926 -31745 6567.9 -38313 -38313 -5.3604 -8.2699 0.4097 2.6009e+05 2024-05-17 12:14:33,516 INFO [main.py:798]
{rank 0/64} MD step = 148800 step time: 00:00:00.343206 Performance: 41.317 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:14:42,490 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 59.471 -31859 6518.1 -38377 -38377 -5.3634 -8.2746 0.41065 2.6025e+05 2024-05-17 12:15:17,618 INFO [main.py:798]
{rank 0/64} MD step = 148900 step time: 00:00:00.350800 Performance: 41.316 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:15:25,268 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148900 29780 60.051 -31741 6581.6 -38322 -38322 -5.3651 -8.2796 0.41094 2.6043e+05 2024-05-17 12:15:59,532 INFO [main.py:798]
{rank 0/64} MD step = 149000 step time: 00:00:00.327446 Performance: 41.316 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:16:06,793 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 149000 29800 60.874 -31793 6671.9 -38465 -38465 -5.3674 -8.2836 0.41156 2.6056e+05 2024-05-17 12:16:41,067 INFO [main.py:798]
{rank 0/64} MD step = 149100 step time: 00:00:00.336805 Performance: 41.316 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:16:46,287 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 59.473 -31842 6518.3 -38360 -38360 -5.3685 -8.2872 0.41113 2.6077e+05 2024-05-17 12:17:22,553 INFO [main.py:798]
{rank 0/64} MD step = 149200 step time: 00:00:00.330432 Performance: 41.316 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:17:28,252 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 60.613 -31754 6643.3 -38397 -38397 -5.3717 -8.2917 0.41143 2.6094e+05 2024-05-17 12:18:03,385 INFO [main.py:798]
{rank 0/64} MD step = 149300 step time: 00:00:00.328247 Performance: 41.317 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:18:07,347 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 149300 29860 61.14 -31711 6701 -38412 -38412 -5.3724 -8.2981 0.40958 2.6113e+05 2024-05-17 12:18:43,927 INFO [main.py:798]
{rank 0/64} MD step = 149400 step time: 00:00:00.334015 Performance: 41.318 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:18:48,774 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 59.306 -31889 6500 -38389 -38389 -5.3723 -8.3018 0.4093 2.613e+05 2024-05-17 12:19:24,403 INFO [main.py:798]
{rank 0/64} MD step = 149500 step time: 00:00:00.335164 Performance: 41.319 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:19:29,172 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 149500 29900 59.536 -31878 6525.3 -38403 -38403 -5.3736 -8.3078 0.40829 2.6149e+05 2024-05-17 12:20:04,321 INFO [main.py:798]
{rank 0/64} MD step = 149600 step time: 00:00:00.327534 Performance: 41.320 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:20:09,025 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 149600 29920 59.602 -32005 6532.5 -38538 -38538 -5.3724 -8.3142 0.40892 2.6161e+05 2024-05-17 12:20:43,607 INFO [main.py:798]
{rank 0/64} MD step = 149700 step time: 00:00:00.331994 Performance: 41.322 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:20:48,626 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 149700 29940 60.428 -31780 6623 -38403 -38403 -5.3747 -8.3189 0.40848 2.6183e+05 2024-05-17 12:21:23,543 INFO [main.py:798]
{rank 0/64} MD step = 149800 step time: 00:00:00.328877 Performance: 41.323 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:21:29,028 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 149800 29960 60.339 -31796 6613.2 -38409 -38409 -5.3759 -8.3246 0.40852 2.6199e+05 2024-05-17 12:22:02,536 INFO [main.py:798]
{rank 0/64} MD step = 149900 step time: 00:00:00.338700 Performance: 41.325 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:22:10,322 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 149900 29980 60.62 -31910 6644 -38554 -38554 -5.3778 -8.3301 0.40822 2.6213e+05 2024-05-17 12:22:44,763 INFO [main.py:798]
{rank 0/64} MD step = 150000 step time: 00:00:00.350351 Performance: 41.324 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:22:52,945 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 150000 30000 60.199 -31864 6597.8 -38462 -38462 -5.3808 -8.3357 0.40791 2.6231e+05 2024-05-17 12:23:26,981 INFO [main.py:798]
{rank 0/64} MD step = 150100 step time: 00:00:00.345791 Performance: 41.324 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:23:34,086 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 59.853 -31885 6560 -38445 -38445 -5.3845 -8.3409 0.40807 2.625e+05 2024-05-17 12:24:08,630 INFO [main.py:798]
{rank 0/64} MD step = 150200 step time: 00:00:00.335668 Performance: 41.324 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:24:14,334 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 59.585 -31862 6530.5 -38392 -38392 -5.3867 -8.3482 0.40882 2.6268e+05 2024-05-17 12:24:51,181 INFO [main.py:798]
{rank 0/64} MD step = 150300 step time: 00:00:00.375401 Performance: 41.324 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:24:55,772 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 150300 30060 60.173 -31977 6595.1 -38572 -38572 -5.3891 -8.3526 0.40981 2.6281e+05 2024-05-17 12:25:30,764 INFO [main.py:798]
{rank 0/64} MD step = 150400 step time: 00:00:00.349992 Performance: 41.325 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 12:25:35,866 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 58.894 -32072 6454.9 -38527 -38527 -5.3913 -8.3583 0.40911 2.6298e+05 2024-05-17 12:26:10,297 INFO [main.py:798]
{rank 0/64} MD step = 150500 step time: 00:00:00.361313 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 12:26:15,590 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 150500 30100 60.788 -31689 6662.4 -38352 -38352 -5.3942 -8.3641 0.40965 2.6315e+05 2024-05-17 12:26:49,823 INFO [main.py:798]
{rank 0/64} MD step = 150600 step time: 00:00:00.350081 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 12:26:55,493 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 59.016 -32037 6468.3 -38505 -38505 -5.3969 -8.3694 0.40772 2.6331e+05 2024-05-17 12:27:30,590 INFO [main.py:798]
{rank 0/64} MD step = 150700 step time: 00:00:00.350407 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 12:27:35,889 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 60.998 -31828 6685.4 -38513 -38513 -5.4006 -8.3734 0.40787 2.6348e+05 2024-05-17 12:28:10,736 INFO [main.py:798]
{rank 0/64} MD step = 150800 step time: 00:00:00.360710 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 12:28:16,810 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 150800 30160 59.447 -31905 6515.5 -38420 -38420 -5.4026 -8.3783 0.40745 2.6366e+05 2024-05-17 12:28:51,572 INFO [main.py:798]
{rank 0/64} MD step = 150900 step time: 00:00:00.353649 Performance: 41.331 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 12:28:59,068 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 150900 30180 60.875 -31856 6672 -38528 -38528 -5.4054 -8.3838 0.40616 2.6383e+05 2024-05-17 12:29:34,182 INFO [main.py:798]
{rank 0/64} MD step = 151000 step time: 00:00:00.357265 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 12:29:42,709 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 59.985 -32025 6574.5 -38600 -38600 -5.4074 -8.3887 0.40444 2.6399e+05 2024-05-17 12:30:17,127 INFO [main.py:798]
{rank 0/64} MD step = 151100 step time: 00:00:00.339764 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 12:30:23,529 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 151100 30220 59.598 -31902 6532 -38434 -38434 -5.4107 -8.3943 0.40415 2.6418e+05 2024-05-17 12:30:58,896 INFO [main.py:798]
{rank 0/64} MD step = 151200 step time: 00:00:00.379359 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 12:31:12,781 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 59.892 -31948 6564.3 -38512 -38512 -5.4154 -8.3991 0.4032 2.6437e+05 2024-05-17 12:31:46,946 INFO [main.py:798]
{rank 0/64} MD step = 151300 step time: 00:00:00.357550 Performance: 41.325 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 12:31:52,845 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 151300 30260 59.697 -31867 6542.9 -38410 -38410 -5.418 -8.405 0.40296 2.6453e+05 2024-05-17 12:32:27,891 INFO [main.py:798]
{rank 0/64} MD step = 151400 step time: 00:00:00.370428 Performance: 41.326 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 12:32:32,185 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 151400 30280 59.437 -31900 6514.3 -38415 -38415 -5.4207 -8.4119 0.40406 2.6471e+05 2024-05-17 12:33:07,563 INFO [main.py:798]
{rank 0/64} MD step = 151500 step time: 00:00:00.353975 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 12:33:13,755 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 59.409 -31864 6511.3 -38376 -38376 -5.424 -8.4164 0.40456 2.6488e+05 2024-05-17 12:33:53,308 INFO [main.py:798]
{rank 0/64} MD step = 151600 step time: 00:00:00.358721 Performance: 41.325 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:33:59,544 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 151600 30320 59.328 -32145 6502.5 -38647 -38647 -5.4274 -8.4217 0.40461 2.6501e+05 2024-05-17 12:34:33,982 INFO [main.py:798]
{rank 0/64} MD step = 151700 step time: 00:00:00.336976 Performance: 41.325 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 12:34:39,181 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 59.816 -31985 6555.9 -38541 -38541 -5.4302 -8.4268 0.4041 2.6518e+05 2024-05-17 12:35:14,005 INFO [main.py:798]
{rank 0/64} MD step = 151800 step time: 00:00:00.339805 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 12:35:19,584 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 59.907 -31960 6565.9 -38526 -38526 -5.435 -8.4308 0.40369 2.6539e+05 2024-05-17 12:35:54,714 INFO [main.py:798]
{rank 0/64} MD step = 151900 step time: 00:00:00.338456 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 12:36:00,309 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 151900 30380 60.051 -31942 6581.6 -38524 -38524 -5.4397 -8.4367 0.40463 2.6554e+05 2024-05-17 12:36:34,844 INFO [main.py:798]
{rank 0/64} MD step = 152000 step time: 00:00:00.351790 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 12:36:41,347 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 60.239 -31792 6602.2 -38394 -38394 -5.4421 -8.4412 0.40517 2.6577e+05 2024-05-17 12:37:15,679 INFO [main.py:798]
{rank 0/64} MD step = 152100 step time: 00:00:00.357983 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 12:37:23,899 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 60.08 -32012 6584.9 -38597 -38597 -5.4435 -8.4452 0.40368 2.6591e+05 2024-05-17 12:38:04,049 INFO [main.py:798]
{rank 0/64} MD step = 152200 step time: 00:00:00.343397 Performance: 41.325 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:38:09,263 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 152200 30440 59.788 -31871 6552.9 -38424 -38424 -5.4469 -8.4507 0.4043 2.6613e+05 2024-05-17 12:38:43,927 INFO [main.py:798]
{rank 0/64} MD step = 152300 step time: 00:00:00.359820 Performance: 41.326 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 12:38:48,630 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 59.312 -31986 6500.7 -38487 -38487 -5.4504 -8.4541 0.4031 2.6628e+05 2024-05-17 12:39:23,077 INFO [main.py:798]
{rank 0/64} MD step = 152400 step time: 00:00:00.327644 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 12:39:50,788 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 59.768 -31958 6550.7 -38509 -38509 -5.4541 -8.4592 0.40341 2.6646e+05 2024-05-17 12:40:26,342 INFO [main.py:798]
{rank 0/64} MD step = 152500 step time: 00:00:00.329762 Performance: 41.314 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:40:47,147 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 152500 30500 59.435 -31947 6514.1 -38461 -38461 -5.4557 -8.4656 0.40501 2.6665e+05 2024-05-17 12:41:24,263 INFO [main.py:798]
{rank 0/64} MD step = 152600 step time: 00:00:00.326310 Performance: 41.304 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 12:41:45,408 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 59.439 -31862 6514.6 -38377 -38377 -5.4577 -8.4703 0.40403 2.6686e+05 2024-05-17 12:42:19,742 INFO [main.py:798]
{rank 0/64} MD step = 152700 step time: 00:00:00.344203 Performance: 41.295 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 12:42:24,649 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 59.745 -31867 6548.1 -38415 -38415 -5.4623 -8.4758 0.40395 2.6702e+05 2024-05-17 12:43:00,811 INFO [main.py:798]
{rank 0/64} MD step = 152800 step time: 00:00:00.341040 Performance: 41.295 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 12:43:08,886 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 152800 30560 59.938 -31909 6569.3 -38478 -38478 -5.4651 -8.4805 0.40456 2.6717e+05 2024-05-17 12:43:43,047 INFO [main.py:798]
{rank 0/64} MD step = 152900 step time: 00:00:00.361845 Performance: 41.295 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 12:43:48,767 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 59.567 -31878 6528.6 -38407 -38407 -5.4703 -8.4858 0.40387 2.6739e+05 2024-05-17 12:44:23,837 INFO [main.py:798]
{rank 0/64} MD step = 153000 step time: 00:00:00.329429 Performance: 41.296 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 12:44:28,578 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 60.678 -31737 6650.4 -38387 -38387 -5.4735 -8.4894 0.40315 2.6757e+05 2024-05-17 12:45:02,646 INFO [main.py:798]
{rank 0/64} MD step = 153100 step time: 00:00:00.328302 Performance: 41.298 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 12:45:07,424 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153100 30620 59.96 -31905 6571.7 -38477 -38477 -5.4749 -8.4933 0.40221 2.6772e+05 2024-05-17 12:45:43,027 INFO [main.py:798]
{rank 0/64} MD step = 153200 step time: 00:00:00.330986 Performance: 41.299 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 12:45:47,609 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 60.19 -31809 6596.9 -38406 -38406 -5.4768 -8.4978 0.40174 2.679e+05 2024-05-17 12:46:22,871 INFO [main.py:798]
{rank 0/64} MD step = 153300 step time: 00:00:00.355295 Performance: 41.300 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 12:46:28,199 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153300 30660 60.673 -31801 6649.8 -38451 -38451 -5.4798 -8.5035 0.40185 2.6806e+05 2024-05-17 12:47:04,286 INFO [main.py:798]
{rank 0/64} MD step = 153400 step time: 00:00:00.356983 Performance: 41.300 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 12:47:10,552 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153400 30680 59.301 -31882 6499.4 -38381 -38381 -5.4815 -8.5094 0.40205 2.6826e+05 2024-05-17 12:47:45,070 INFO [main.py:798]
{rank 0/64} MD step = 153500 step time: 00:00:00.339542 Performance: 41.301 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 12:47:50,176 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153500 30700 59.296 -31982 6499 -38481 -38481 -5.4825 -8.514 0.40105 2.6839e+05 2024-05-17 12:48:25,169 INFO [main.py:798]
{rank 0/64} MD step = 153600 step time: 00:00:00.344092 Performance: 41.302 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 12:48:30,133 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153600 30720 59.435 -31855 6514.2 -38369 -38369 -5.4854 -8.518 0.40139 2.6858e+05 2024-05-17 12:49:05,590 INFO [main.py:798]
{rank 0/64} MD step = 153700 step time: 00:00:00.372099 Performance: 41.303 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 12:49:12,301 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153700 30740 60.317 -31815 6610.9 -38425 -38425 -5.4872 -8.5228 0.40071 2.6875e+05 2024-05-17 12:49:47,391 INFO [main.py:798]
{rank 0/64} MD step = 153800 step time: 00:00:00.366763 Performance: 41.303 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 12:49:54,518 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 60.194 -31816 6597.3 -38413 -38413 -5.4861 -8.5267 0.40132 2.6891e+05 2024-05-17 12:50:28,529 INFO [main.py:798]
{rank 0/64} MD step = 153900 step time: 00:00:00.355437 Performance: 41.303 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 12:50:34,434 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153900 30780 60.326 -31859 6611.8 -38471 -38471 -5.4878 -8.5315 0.39957 2.691e+05 2024-05-17 12:51:10,986 INFO [main.py:798]
{rank 0/64} MD step = 154000 step time: 00:00:00.371492 Performance: 41.303 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 12:51:17,986 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 59.914 -31858 6566.7 -38424 -38424 -5.4913 -8.536 0.39769 2.6925e+05 2024-05-17 12:51:51,881 INFO [main.py:798]
{rank 0/64} MD step = 154100 step time: 00:00:00.353057 Performance: 41.303 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 12:51:58,335 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 154100 30820 59.677 -31981 6540.7 -38522 -38522 -5.4945 -8.5422 0.39703 2.6942e+05 2024-05-17 12:52:32,826 INFO [main.py:798]
{rank 0/64} MD step = 154200 step time: 00:00:00.340137 Performance: 41.304 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 12:52:37,891 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 154200 30840 60.451 -31977 6625.5 -38603 -38603 -5.4977 -8.5476 0.39594 2.6959e+05 2024-05-17 12:53:11,873 INFO [main.py:798]
{rank 0/64} MD step = 154300 step time: 00:00:00.346570 Performance: 41.306 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 12:53:17,887 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 60.164 -31910 6594.1 -38504 -38504 -5.5001 -8.5537 0.39776 2.6978e+05 2024-05-17 12:53:52,397 INFO [main.py:798]
{rank 0/64} MD step = 154400 step time: 00:00:00.346820 Performance: 41.307 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 12:53:57,806 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 154400 30880 60.311 -31953 6610.2 -38563 -38563 -5.5017 -8.5584 0.39694 2.6994e+05 2024-05-17 12:54:32,821 INFO [main.py:798]
{rank 0/64} MD step = 154500 step time: 00:00:00.378828 Performance: 41.308 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 12:54:38,241 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 59.77 -31999 6550.9 -38550 -38550 -5.5028 -8.5633 0.39739 2.7014e+05 2024-05-17 12:55:12,830 INFO [main.py:798]
{rank 0/64} MD step = 154600 step time: 00:00:00.360834 Performance: 41.309 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:55:20,961 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 59.737 -31882 6547.2 -38429 -38429 -5.5042 -8.5671 0.39831 2.7036e+05 2024-05-17 12:55:55,154 INFO [main.py:798]
{rank 0/64} MD step = 154700 step time: 00:00:00.343470 Performance: 41.308 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:56:02,769 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 154700 30940 60.201 -31914 6598.1 -38512 -38512 -5.5056 -8.5716 0.39871 2.7054e+05 2024-05-17 12:56:39,487 INFO [main.py:798]
{rank 0/64} MD step = 154800 step time: 00:00:00.378984 Performance: 41.307 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 12:56:44,381 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 154800 30960 60.116 -31940 6588.8 -38529 -38529 -5.5061 -8.5764 0.39898 2.7068e+05 2024-05-17 12:57:19,834 INFO [main.py:798]
{rank 0/64} MD step = 154900 step time: 00:00:00.367632 Performance: 41.308 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 12:57:23,699 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 59.432 -32000 6513.8 -38513 -38513 -5.5088 -8.5826 0.39706 2.7085e+05 2024-05-17 12:57:59,190 INFO [main.py:798]
{rank 0/64} MD step = 155000 step time: 00:00:00.342135 Performance: 41.309 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:58:05,653 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 155000 31000 59.388 -31902 6509 -38411 -38411 -5.511 -8.5882 0.39649 2.7104e+05 2024-05-17 12:58:39,960 INFO [main.py:798]
{rank 0/64} MD step = 155100 step time: 00:00:00.347315 Performance: 41.310 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:58:45,751 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 60.517 -31976 6632.8 -38608 -38608 -5.5123 -8.5952 0.39697 2.7119e+05 2024-05-17 12:59:20,395 INFO [main.py:798]
{rank 0/64} MD step = 155200 step time: 00:00:00.351479 Performance: 41.311 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 12:59:27,783 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 155200 31040 60.167 -31931 6594.4 -38525 -38525 -5.5153 -8.6007 0.39632 2.7139e+05 2024-05-17 13:00:01,931 INFO [main.py:798]
{rank 0/64} MD step = 155300 step time: 00:00:00.353020 Performance: 41.311 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:00:06,653 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 58.83 -32162 6447.8 -38610 -38610 -5.5143 -8.6051 0.39808 2.7155e+05 2024-05-17 13:00:42,800 INFO [main.py:798]
{rank 0/64} MD step = 155400 step time: 00:00:00.341852 Performance: 41.312 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:00:49,421 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 59.792 -32085 6553.3 -38639 -38639 -5.5131 -8.609 0.39642 2.7173e+05 2024-05-17 13:01:23,954 INFO [main.py:798]
{rank 0/64} MD step = 155500 step time: 00:00:00.362015 Performance: 41.312 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:01:32,556 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 59.595 -32076 6531.7 -38608 -38608 -5.512 -8.6135 0.396 2.7188e+05 2024-05-17 13:02:07,076 INFO [main.py:798]
{rank 0/64} MD step = 155600 step time: 00:00:00.342276 Performance: 41.311 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:02:15,733 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 155600 31120 59.293 -31913 6498.5 -38412 -38412 -5.5121 -8.6185 0.39687 2.7208e+05 2024-05-17 13:02:51,315 INFO [main.py:798]
{rank 0/64} MD step = 155700 step time: 00:00:00.354747 Performance: 41.310 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:03:00,315 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 155700 31140 60.17 -31860 6594.7 -38455 -38455 -5.514 -8.6214 0.39753 2.7224e+05 2024-05-17 13:03:34,655 INFO [main.py:798]
{rank 0/64} MD step = 155800 step time: 00:00:00.345819 Performance: 41.309 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:03:40,434 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 155800 31160 59.907 -31753 6565.8 -38319 -38319 -5.5178 -8.6248 0.40005 2.7243e+05 2024-05-17 13:04:14,845 INFO [main.py:798]
{rank 0/64} MD step = 155900 step time: 00:00:00.337499 Performance: 41.310 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:04:21,674 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 155900 31180 60.38 -31780 6617.7 -38398 -38398 -5.5198 -8.6284 0.40018 2.726e+05 2024-05-17 13:04:56,005 INFO [main.py:798]
{rank 0/64} MD step = 156000 step time: 00:00:00.332691 Performance: 41.310 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:05:01,723 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 60.017 -31870 6577.9 -38448 -38448 -5.5218 -8.6332 0.40029 2.7278e+05 2024-05-17 13:05:37,307 INFO [main.py:798]
{rank 0/64} MD step = 156100 step time: 00:00:00.330609 Performance: 41.311 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:05:41,770 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 58.791 -32067 6443.5 -38510 -38510 -5.5226 -8.6383 0.40029 2.7293e+05 2024-05-17 13:06:17,754 INFO [main.py:798]
{rank 0/64} MD step = 156200 step time: 00:00:00.355452 Performance: 41.311 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:06:23,660 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 156200 31240 60.253 -31751 6603.8 -38355 -38355 -5.5245 -8.6428 0.40077 2.7314e+05 2024-05-17 13:06:59,841 INFO [main.py:798]
{rank 0/64} MD step = 156300 step time: 00:00:00.383638 Performance: 41.311 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:07:05,459 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 60.828 -31897 6666.8 -38564 -38564 -5.5255 -8.6482 0.39987 2.7327e+05 2024-05-17 13:07:40,170 INFO [main.py:798]
{rank 0/64} MD step = 156400 step time: 00:00:00.386580 Performance: 41.312 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:07:46,544 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 156400 31280 59.682 -31981 6541.2 -38523 -38523 -5.5249 -8.6534 0.39867 2.7344e+05 2024-05-17 13:08:22,362 INFO [main.py:798]
{rank 0/64} MD step = 156500 step time: 00:00:00.371241 Performance: 41.312 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:08:28,104 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 59.948 -32025 6570.3 -38595 -38595 -5.525 -8.659 0.39922 2.7358e+05 2024-05-17 13:09:04,674 INFO [main.py:798]
{rank 0/64} MD step = 156600 step time: 00:00:00.348409 Performance: 41.312 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:09:12,358 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 59.881 -31996 6563 -38559 -38559 -5.5265 -8.6662 0.40042 2.7376e+05 2024-05-17 13:09:46,963 INFO [main.py:798]
{rank 0/64} MD step = 156700 step time: 00:00:00.340014 Performance: 41.311 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:09:53,439 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 60.911 -31758 6675.9 -38434 -38434 -5.5274 -8.6712 0.39918 2.7397e+05 2024-05-17 13:10:28,881 INFO [main.py:798]
{rank 0/64} MD step = 156800 step time: 00:00:00.355041 Performance: 41.311 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:10:37,402 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 156800 31360 60.171 -31839 6594.8 -38434 -38434 -5.5282 -8.6758 0.3988 2.7416e+05 2024-05-17 13:11:11,470 INFO [main.py:798]
{rank 0/64} MD step = 156900 step time: 00:00:00.350488 Performance: 41.311 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:11:16,819 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 156900 31380 59.87 -32006 6561.8 -38568 -38568 -5.5291 -8.6803 0.39829 2.743e+05 2024-05-17 13:11:51,323 INFO [main.py:798]
{rank 0/64} MD step = 157000 step time: 00:00:00.343519 Performance: 41.312 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:12:02,599 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 60.648 -31800 6647.1 -38447 -38447 -5.532 -8.6843 0.39709 2.7453e+05 2024-05-17 13:12:38,184 INFO [main.py:798]
{rank 0/64} MD step = 157100 step time: 00:00:00.371061 Performance: 41.309 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:12:43,770 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157100 31420 59.698 -32023 6543 -38566 -38566 -5.5312 -8.6899 0.39721 2.7471e+05 2024-05-17 13:13:18,271 INFO [main.py:798]
{rank 0/64} MD step = 157200 step time: 00:00:00.344263 Performance: 41.310 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:13:23,497 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 59.202 -31872 6488.6 -38361 -38361 -5.5324 -8.6954 0.39714 2.7493e+05 2024-05-17 13:13:58,338 INFO [main.py:798]
{rank 0/64} MD step = 157300 step time: 00:00:00.354562 Performance: 41.311 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:14:03,536 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157300 31460 59.745 -31850 6548.1 -38398 -38398 -5.5374 -8.7004 0.39871 2.7508e+05 2024-05-17 13:14:38,709 INFO [main.py:798]
{rank 0/64} MD step = 157400 step time: 00:00:00.367172 Performance: 41.312 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:14:44,667 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157400 31480 59.413 -31895 6511.7 -38407 -38407 -5.5387 -8.7051 0.40017 2.7522e+05 2024-05-17 13:15:19,154 INFO [main.py:798]
{rank 0/64} MD step = 157500 step time: 00:00:00.348944 Performance: 41.313 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:15:24,484 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157500 31500 59.487 -31882 6519.9 -38402 -38402 -5.5411 -8.7077 0.40053 2.7541e+05 2024-05-17 13:15:58,775 INFO [main.py:798]
{rank 0/64} MD step = 157600 step time: 00:00:00.355938 Performance: 41.314 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:16:04,227 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157600 31520 59.766 -31917 6550.5 -38467 -38467 -5.5439 -8.7127 0.40149 2.7558e+05 2024-05-17 13:16:38,566 INFO [main.py:798]
{rank 0/64} MD step = 157700 step time: 00:00:00.340025 Performance: 41.316 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:16:43,631 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 60.433 -31963 6623.5 -38586 -38586 -5.5443 -8.718 0.402 2.7575e+05 2024-05-17 13:17:19,056 INFO [main.py:798]
{rank 0/64} MD step = 157800 step time: 00:00:00.358604 Performance: 41.316 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:17:25,267 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157800 31560 60.181 -32007 6595.9 -38603 -38603 -5.5455 -8.7218 0.40231 2.7595e+05 2024-05-17 13:18:00,141 INFO [main.py:798]
{rank 0/64} MD step = 157900 step time: 00:00:00.376656 Performance: 41.317 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:18:05,730 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157900 31580 59.728 -32036 6546.2 -38582 -38582 -5.5467 -8.7277 0.4021 2.7616e+05 2024-05-17 13:18:41,827 INFO [main.py:798]
{rank 0/64} MD step = 158000 step time: 00:00:00.349076 Performance: 41.317 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:18:47,834 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 158000 31600 59.207 -32057 6489.2 -38546 -38546 -5.5485 -8.7346 0.40328 2.7633e+05 2024-05-17 13:19:22,809 INFO [main.py:798]
{rank 0/64} MD step = 158100 step time: 00:00:00.354435 Performance: 41.318 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:19:27,637 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 158100 31620 59.979 -31852 6573.8 -38426 -38426 -5.5504 -8.739 0.40181 2.765e+05 2024-05-17 13:20:02,800 INFO [main.py:798]
{rank 0/64} MD step = 158200 step time: 00:00:00.357673 Performance: 41.319 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:20:06,764 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 158200 31640 59.687 -31927 6541.7 -38469 -38469 -5.5492 -8.7446 0.40199 2.7668e+05 2024-05-17 13:20:42,808 INFO [main.py:798]
{rank 0/64} MD step = 158300 step time: 00:00:00.347058 Performance: 41.320 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:20:48,635 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 59.903 -32002 6565.4 -38568 -38568 -5.5467 -8.7499 0.4004 2.768e+05 2024-05-17 13:21:23,894 INFO [main.py:798]
{rank 0/64} MD step = 158400 step time: 00:00:00.343762 Performance: 41.320 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:21:29,487 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 158400 31680 60.204 -31995 6598.4 -38593 -38593 -5.5464 -8.7544 0.40126 2.7699e+05 2024-05-17 13:22:03,540 INFO [main.py:798]
{rank 0/64} MD step = 158500 step time: 00:00:00.349503 Performance: 41.322 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:22:09,115 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 158500 31700 60.391 -31952 6618.9 -38571 -38571 -5.544 -8.7599 0.40101 2.7719e+05 2024-05-17 13:22:43,706 INFO [main.py:798]
{rank 0/64} MD step = 158600 step time: 00:00:00.353045 Performance: 41.323 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:22:49,343 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 158600 31720 59.779 -32008 6551.8 -38560 -38560 -5.544 -8.7656 0.40193 2.7736e+05 2024-05-17 13:23:24,280 INFO [main.py:798]
{rank 0/64} MD step = 158700 step time: 00:00:00.349324 Performance: 41.323 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:23:29,663 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 158700 31740 59.752 -32023 6548.9 -38572 -38572 -5.5423 -8.77 0.40208 2.7754e+05 2024-05-17 13:24:04,996 INFO [main.py:798]
{rank 0/64} MD step = 158800 step time: 00:00:00.385337 Performance: 41.324 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:24:11,393 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 59.599 -31866 6532.1 -38398 -38398 -5.5434 -8.7759 0.40115 2.777e+05 2024-05-17 13:24:46,245 INFO [main.py:798]
{rank 0/64} MD step = 158900 step time: 00:00:00.343116 Performance: 41.324 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:24:52,425 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 59.357 -31925 6505.6 -38431 -38431 -5.5442 -8.7813 0.4009 2.7789e+05 2024-05-17 13:25:27,618 INFO [main.py:798]
{rank 0/64} MD step = 159000 step time: 00:00:00.356156 Performance: 41.325 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:25:36,770 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159000 31800 59.209 -32087 6489.4 -38576 -38576 -5.5444 -8.7869 0.40067 2.7805e+05 2024-05-17 13:26:11,400 INFO [main.py:798]
{rank 0/64} MD step = 159100 step time: 00:00:00.352095 Performance: 41.324 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:26:16,623 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159100 31820 59.601 -31949 6532.3 -38481 -38481 -5.5451 -8.7918 0.40028 2.7828e+05 2024-05-17 13:26:54,014 INFO [main.py:798]
{rank 0/64} MD step = 159200 step time: 00:00:00.382109 Performance: 41.323 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:27:01,128 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159200 31840 61.126 -31799 6699.5 -38498 -38498 -5.5491 -8.7977 0.39875 2.7841e+05 2024-05-17 13:27:36,088 INFO [main.py:798]
{rank 0/64} MD step = 159300 step time: 00:00:00.351967 Performance: 41.323 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:27:40,740 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 59.994 -31956 6575.4 -38531 -38531 -5.5518 -8.8032 0.39766 2.7856e+05 2024-05-17 13:28:15,432 INFO [main.py:798]
{rank 0/64} MD step = 159400 step time: 00:00:00.350668 Performance: 41.324 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:28:19,413 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 61.012 -31871 6687 -38558 -38558 -5.5533 -8.809 0.39786 2.7874e+05 2024-05-17 13:28:54,660 INFO [main.py:798]
{rank 0/64} MD step = 159500 step time: 00:00:00.355397 Performance: 41.326 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 13:28:59,405 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159500 31900 59.559 -31946 6527.8 -38474 -38474 -5.5568 -8.815 0.39749 2.7894e+05 2024-05-17 13:29:34,588 INFO [main.py:798]
{rank 0/64} MD step = 159600 step time: 00:00:00.372594 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 13:29:39,657 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159600 31920 60.559 -31758 6637.3 -38395 -38395 -5.5584 -8.8197 0.39697 2.7914e+05 2024-05-17 13:30:14,138 INFO [main.py:798]
{rank 0/64} MD step = 159700 step time: 00:00:00.345783 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 13:30:19,301 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159700 31940 59.96 -31936 6571.7 -38508 -38508 -5.5601 -8.8238 0.39629 2.7927e+05 2024-05-17 13:30:54,368 INFO [main.py:798]
{rank 0/64} MD step = 159800 step time: 00:00:00.359822 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 13:30:59,252 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159800 31960 60.028 -31927 6579.2 -38507 -38507 -5.5599 -8.8297 0.39656 2.7944e+05 2024-05-17 13:31:34,764 INFO [main.py:798]
{rank 0/64} MD step = 159900 step time: 00:00:00.377960 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 13:31:39,863 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 60.62 -31776 6644 -38420 -38420 -5.5597 -8.8345 0.39737 2.7966e+05 2024-05-17 13:32:14,613 INFO [main.py:798]
{rank 0/64} MD step = 160000 step time: 00:00:00.349672 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 13:32:21,152 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 60.817 -31902 6665.6 -38567 -38567 -5.5615 -8.8401 0.39823 2.7982e+05 2024-05-17 13:32:55,971 INFO [main.py:798]
{rank 0/64} MD step = 160100 step time: 00:00:00.372990 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 13:33:03,670 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160100 32020 59.648 -31872 6537.5 -38410 -38410 -5.5636 -8.8436 0.39784 2.8e+05 2024-05-17 13:33:38,505 INFO [main.py:798]
{rank 0/64} MD step = 160200 step time: 00:00:00.344305 Performance: 41.331 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 13:33:45,953 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 59.922 -31867 6567.6 -38435 -38435 -5.5663 -8.8497 0.39598 2.8016e+05 2024-05-17 13:34:20,590 INFO [main.py:798]
{rank 0/64} MD step = 160300 step time: 00:00:00.357296 Performance: 41.331 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 13:34:24,989 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160300 32060 60.33 -31858 6612.3 -38471 -38471 -5.5688 -8.855 0.39625 2.8038e+05 2024-05-17 13:35:01,111 INFO [main.py:798]
{rank 0/64} MD step = 160400 step time: 00:00:00.347563 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 13:35:08,248 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 60.043 -31889 6580.8 -38469 -38469 -5.57 -8.8602 0.39533 2.8052e+05 2024-05-17 13:35:42,854 INFO [main.py:798]
{rank 0/64} MD step = 160500 step time: 00:00:00.344606 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 13:35:47,793 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160500 32100 60.687 -31843 6651.3 -38495 -38495 -5.5715 -8.8659 0.39457 2.8069e+05 2024-05-17 13:36:22,518 INFO [main.py:798]
{rank 0/64} MD step = 160600 step time: 00:00:00.357425 Performance: 41.333 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 13:36:27,916 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160600 32120 59.455 -31961 6516.3 -38477 -38477 -5.5709 -8.8714 0.39413 2.809e+05 2024-05-17 13:37:02,131 INFO [main.py:798]
{rank 0/64} MD step = 160700 step time: 00:00:00.350861 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 13:37:08,057 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160700 32140 60.834 -31596 6667.5 -38263 -38263 -5.5722 -8.8769 0.39404 2.8108e+05 2024-05-17 13:37:43,661 INFO [main.py:798]
{rank 0/64} MD step = 160800 step time: 00:00:00.377357 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 13:37:48,416 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 59.994 -31862 6575.4 -38438 -38438 -5.5726 -8.8825 0.39426 2.8126e+05 2024-05-17 13:38:24,445 INFO [main.py:798]
{rank 0/64} MD step = 160900 step time: 00:00:00.338301 Performance: 41.336 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 13:38:29,849 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160900 32180 60.452 -31949 6625.6 -38575 -38575 -5.5714 -8.8879 0.3949 2.8142e+05 2024-05-17 13:39:09,635 INFO [main.py:798]
{rank 0/64} MD step = 161000 step time: 00:00:00.383724 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 13:39:15,555 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161000 32200 60.436 -31791 6623.9 -38415 -38415 -5.5719 -8.8942 0.39517 2.816e+05 2024-05-17 13:39:50,175 INFO [main.py:798]
{rank 0/64} MD step = 161100 step time: 00:00:00.338512 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 13:39:54,935 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 59.78 -31775 6551.9 -38327 -38327 -5.5731 -8.8981 0.39364 2.8178e+05 2024-05-17 13:40:30,735 INFO [main.py:798]
{rank 0/64} MD step = 161200 step time: 00:00:00.385226 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 13:40:36,731 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161200 32240 60.374 -31827 6617 -38444 -38444 -5.5743 -8.9025 0.39336 2.8194e+05 2024-05-17 13:41:11,300 INFO [main.py:798]
{rank 0/64} MD step = 161300 step time: 00:00:00.346364 Performance: 41.336 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 13:41:17,001 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161300 32260 59.987 -31897 6574.7 -38472 -38472 -5.5767 -8.9087 0.39372 2.8214e+05 2024-05-17 13:41:51,879 INFO [main.py:798]
{rank 0/64} MD step = 161400 step time: 00:00:00.357977 Performance: 41.337 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 13:42:01,537 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161400 32280 60.938 -31782 6678.9 -38460 -38460 -5.5771 -8.9147 0.39378 2.823e+05 2024-05-17 13:42:36,776 INFO [main.py:798]
{rank 0/64} MD step = 161500 step time: 00:00:00.353638 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 13:42:44,381 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 61.16 -31762 6703.2 -38465 -38465 -5.5781 -8.9209 0.39377 2.8248e+05 2024-05-17 13:43:23,920 INFO [main.py:798]
{rank 0/64} MD step = 161600 step time: 00:00:00.335563 Performance: 41.331 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 13:43:32,758 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 59.63 -31926 6535.5 -38462 -38462 -5.5801 -8.9254 0.39276 2.8266e+05 2024-05-17 13:44:07,423 INFO [main.py:798]
{rank 0/64} MD step = 161700 step time: 00:00:00.326576 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 13:44:32,486 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161700 32340 60.75 -31775 6658.2 -38433 -38433 -5.582 -8.9297 0.39097 2.8283e+05 2024-05-17 13:45:08,581 INFO [main.py:798]
{rank 0/64} MD step = 161800 step time: 00:00:00.353241 Performance: 41.319 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:45:13,638 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161800 32360 60.468 -31756 6627.4 -38384 -38384 -5.5846 -8.9351 0.39065 2.8302e+05 2024-05-17 13:45:48,977 INFO [main.py:798]
{rank 0/64} MD step = 161900 step time: 00:00:00.380445 Performance: 41.319 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:45:54,473 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161900 32380 60.598 -31781 6641.6 -38422 -38422 -5.5847 -8.939 0.38956 2.8319e+05 2024-05-17 13:46:29,053 INFO [main.py:798]
{rank 0/64} MD step = 162000 step time: 00:00:00.335339 Performance: 41.320 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:46:35,984 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 59.662 -31864 6539 -38403 -38403 -5.5837 -8.9439 0.38929 2.8336e+05 2024-05-17 13:47:10,137 INFO [main.py:798]
{rank 0/64} MD step = 162100 step time: 00:00:00.353276 Performance: 41.321 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:47:16,840 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 162100 32420 60.835 -31661 6667.5 -38328 -38328 -5.5814 -8.9498 0.38809 2.8354e+05 2024-05-17 13:47:51,450 INFO [main.py:798]
{rank 0/64} MD step = 162200 step time: 00:00:00.341651 Performance: 41.321 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:47:56,809 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 162200 32440 60.494 -31800 6630.2 -38430 -38430 -5.5799 -8.9549 0.38635 2.837e+05 2024-05-17 13:48:31,796 INFO [main.py:798]
{rank 0/64} MD step = 162300 step time: 00:00:00.358061 Performance: 41.322 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:48:36,914 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 162300 32460 59.826 -31881 6557 -38438 -38438 -5.5796 -8.9598 0.38522 2.8385e+05 2024-05-17 13:49:11,341 INFO [main.py:798]
{rank 0/64} MD step = 162400 step time: 00:00:00.339117 Performance: 41.324 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:49:15,873 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 162400 32480 59.935 -31875 6568.9 -38444 -38444 -5.58 -8.9644 0.38445 2.8405e+05 2024-05-17 13:49:51,915 INFO [main.py:798]
{rank 0/64} MD step = 162500 step time: 00:00:00.362833 Performance: 41.324 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:50:01,520 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 59.333 -31972 6502.9 -38475 -38475 -5.5805 -8.9704 0.38413 2.8422e+05 2024-05-17 13:50:35,728 INFO [main.py:798]
{rank 0/64} MD step = 162600 step time: 00:00:00.354986 Performance: 41.323 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:50:40,568 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 162600 32520 60.017 -31773 6578 -38351 -38351 -5.5825 -8.9766 0.38391 2.8441e+05 2024-05-17 13:51:17,209 INFO [main.py:798]
{rank 0/64} MD step = 162700 step time: 00:00:00.384986 Performance: 41.323 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:51:22,562 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 162700 32540 60.386 -31899 6618.4 -38517 -38517 -5.5836 -8.9827 0.38513 2.8457e+05 2024-05-17 13:51:56,965 INFO [main.py:798]
{rank 0/64} MD step = 162800 step time: 00:00:00.353326 Performance: 41.325 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 13:52:02,044 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 58.802 -32143 6444.8 -38588 -38588 -5.5856 -8.9868 0.38537 2.8477e+05 2024-05-17 13:52:37,632 INFO [main.py:798]
{rank 0/64} MD step = 162900 step time: 00:00:00.367748 Performance: 41.325 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 13:52:44,082 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 59.234 -31968 6492.1 -38460 -38460 -5.5854 -8.9908 0.38418 2.8497e+05 2024-05-17 13:53:18,485 INFO [main.py:798]
{rank 0/64} MD step = 163000 step time: 00:00:00.350730 Performance: 41.326 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 13:53:24,071 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163000 32600 59.075 -32118 6474.7 -38593 -38593 -5.5849 -8.9965 0.38442 2.8511e+05 2024-05-17 13:53:58,914 INFO [main.py:798]
{rank 0/64} MD step = 163100 step time: 00:00:00.350225 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 13:54:05,469 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 60.037 -31856 6580.1 -38437 -38437 -5.5859 -9.001 0.38305 2.8529e+05 2024-05-17 13:54:40,538 INFO [main.py:798]
{rank 0/64} MD step = 163200 step time: 00:00:00.351809 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 13:54:49,248 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163200 32640 60.205 -31900 6598.5 -38498 -38498 -5.5879 -9.0067 0.38261 2.8546e+05 2024-05-17 13:55:23,423 INFO [main.py:798]
{rank 0/64} MD step = 163300 step time: 00:00:00.350597 Performance: 41.326 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 13:55:29,623 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163300 32660 60.116 -31922 6588.8 -38511 -38511 -5.5876 -9.0116 0.3805 2.8563e+05 2024-05-17 13:56:04,934 INFO [main.py:798]
{rank 0/64} MD step = 163400 step time: 00:00:00.348001 Performance: 41.326 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 13:56:10,848 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163400 32680 60.365 -31874 6616.1 -38491 -38491 -5.5881 -9.0169 0.38052 2.8581e+05 2024-05-17 13:56:45,143 INFO [main.py:798]
{rank 0/64} MD step = 163500 step time: 00:00:00.345659 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 13:56:51,455 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 60.589 -31927 6640.6 -38567 -38567 -5.5897 -9.0217 0.38017 2.8597e+05 2024-05-17 13:57:26,139 INFO [main.py:798]
{rank 0/64} MD step = 163600 step time: 00:00:00.366315 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 13:57:31,577 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163600 32720 59.545 -31989 6526.2 -38516 -38516 -5.589 -9.0282 0.37968 2.8612e+05 2024-05-17 13:58:05,943 INFO [main.py:798]
{rank 0/64} MD step = 163700 step time: 00:00:00.353810 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 13:58:11,055 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163700 32740 59.669 -31958 6539.8 -38497 -38497 -5.5888 -9.034 0.3796 2.8629e+05 2024-05-17 13:58:45,209 INFO [main.py:798]
{rank 0/64} MD step = 163800 step time: 00:00:00.349203 Performance: 41.331 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 13:58:50,349 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163800 32760 59.781 -31938 6552.1 -38490 -38490 -5.5881 -9.0407 0.38062 2.8653e+05 2024-05-17 13:59:26,126 INFO [main.py:798]
{rank 0/64} MD step = 163900 step time: 00:00:00.380369 Performance: 41.331 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 13:59:31,521 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163900 32780 59.606 -32054 6532.9 -38587 -38587 -5.5871 -9.0463 0.37882 2.8667e+05 2024-05-17 14:00:06,465 INFO [main.py:798]
{rank 0/64} MD step = 164000 step time: 00:00:00.354639 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:00:12,959 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164000 32800 59.599 -31936 6532.1 -38469 -38469 -5.5855 -9.0503 0.3792 2.8687e+05 2024-05-17 14:00:47,130 INFO [main.py:798]
{rank 0/64} MD step = 164100 step time: 00:00:00.337698 Performance: 41.333 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:00:55,518 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 60.259 -31859 6604.5 -38463 -38463 -5.5846 -9.0547 0.37854 2.8705e+05 2024-05-17 14:01:30,860 INFO [main.py:798]
{rank 0/64} MD step = 164200 step time: 00:00:00.348844 Performance: 41.331 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:01:42,042 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 59.926 -31905 6568 -38473 -38473 -5.5848 -9.0604 0.37907 2.8724e+05 2024-05-17 14:02:16,792 INFO [main.py:798]
{rank 0/64} MD step = 164300 step time: 00:00:00.357216 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:02:22,254 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164300 32860 60.243 -31974 6602.7 -38576 -38576 -5.5844 -9.0668 0.37876 2.874e+05 2024-05-17 14:02:56,940 INFO [main.py:798]
{rank 0/64} MD step = 164400 step time: 00:00:00.350625 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:03:03,408 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164400 32880 59.593 -31974 6531.5 -38505 -38505 -5.584 -9.0729 0.37835 2.8756e+05 2024-05-17 14:03:36,689 INFO [main.py:798]
{rank 0/64} MD step = 164500 step time: 00:00:00.359509 Performance: 41.331 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:03:44,867 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164500 32900 59.837 -31961 6558.2 -38519 -38519 -5.5829 -9.0771 0.37793 2.8771e+05 2024-05-17 14:04:20,045 INFO [main.py:798]
{rank 0/64} MD step = 164600 step time: 00:00:00.340669 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:04:26,871 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 59.955 -32062 6571.1 -38633 -38633 -5.5822 -9.0822 0.37762 2.8785e+05 2024-05-17 14:05:00,790 INFO [main.py:798]
{rank 0/64} MD step = 164700 step time: 00:00:00.330026 Performance: 41.331 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:05:06,973 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164700 32940 59.993 -32059 6575.3 -38634 -38634 -5.5823 -9.0863 0.37597 2.8799e+05 2024-05-17 14:05:41,976 INFO [main.py:798]
{rank 0/64} MD step = 164800 step time: 00:00:00.333391 Performance: 41.331 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:05:47,386 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164800 32960 60.168 -31878 6594.5 -38472 -38472 -5.5815 -9.0909 0.37459 2.8821e+05 2024-05-17 14:06:23,042 INFO [main.py:798]
{rank 0/64} MD step = 164900 step time: 00:00:00.328106 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:06:27,713 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164900 32980 59.689 -31999 6542 -38541 -38541 -5.5824 -9.0967 0.37411 2.8838e+05 2024-05-17 14:07:04,646 INFO [main.py:798]
{rank 0/64} MD step = 165000 step time: 00:00:00.333911 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:07:09,752 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 165000 33000 59.65 -32131 6537.8 -38669 -38669 -5.5842 -9.1001 0.37368 2.8853e+05 2024-05-17 14:07:46,099 INFO [main.py:798]
{rank 0/64} MD step = 165100 step time: 00:00:00.331842 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:07:58,953 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 59.299 -32168 6499.2 -38667 -38667 -5.5851 -9.1055 0.37194 2.8872e+05 2024-05-17 14:08:33,343 INFO [main.py:798]
{rank 0/64} MD step = 165200 step time: 00:00:00.362054 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:08:48,950 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 59.843 -32022 6558.9 -38581 -38581 -5.5845 -9.109 0.37263 2.8889e+05 2024-05-17 14:09:29,060 INFO [main.py:798]
{rank 0/64} MD step = 165300 step time: 00:00:00.335240 Performance: 41.321 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 14:09:33,800 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 60.078 -31890 6584.6 -38475 -38475 -5.5845 -9.1152 0.37284 2.8909e+05 2024-05-17 14:10:09,705 INFO [main.py:798]
{rank 0/64} MD step = 165400 step time: 00:00:00.351756 Performance: 41.321 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 14:10:14,869 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 60.694 -31905 6652.1 -38557 -38557 -5.5844 -9.1213 0.37243 2.8928e+05 2024-05-17 14:10:49,658 INFO [main.py:798]
{rank 0/64} MD step = 165500 step time: 00:00:00.355900 Performance: 41.322 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 14:10:54,464 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 165500 33100 59.533 -31938 6524.8 -38463 -38463 -5.584 -9.1255 0.37223 2.8947e+05 2024-05-17 14:11:29,167 INFO [main.py:798]
{rank 0/64} MD step = 165600 step time: 00:00:00.354992 Performance: 41.324 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 14:11:34,961 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 165600 33120 60.164 -31927 6594 -38521 -38521 -5.5833 -9.1302 0.37273 2.8965e+05 2024-05-17 14:12:08,809 INFO [main.py:798]
{rank 0/64} MD step = 165700 step time: 00:00:00.338440 Performance: 41.325 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 14:12:14,682 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 60.087 -31998 6585.6 -38584 -38584 -5.5795 -9.136 0.37238 2.8979e+05 2024-05-17 14:12:49,486 INFO [main.py:798]
{rank 0/64} MD step = 165800 step time: 00:00:00.354239 Performance: 41.326 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:12:55,367 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 59.485 -32176 6519.6 -38695 -38695 -5.5773 -9.1399 0.37294 2.8997e+05 2024-05-17 14:13:29,584 INFO [main.py:798]
{rank 0/64} MD step = 165900 step time: 00:00:00.360425 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:13:33,878 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 59.438 -32039 6514.4 -38553 -38553 -5.5758 -9.1429 0.37417 2.9014e+05 2024-05-17 14:14:10,253 INFO [main.py:798]
{rank 0/64} MD step = 166000 step time: 00:00:00.333359 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:14:17,453 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166000 33200 60.084 -32075 6585.2 -38660 -38660 -5.5749 -9.1475 0.37366 2.903e+05 2024-05-17 14:14:52,120 INFO [main.py:798]
{rank 0/64} MD step = 166100 step time: 00:00:00.347562 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:14:57,062 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166100 33220 59.644 -31848 6537.1 -38385 -38385 -5.5732 -9.1513 0.37292 2.9053e+05 2024-05-17 14:15:31,255 INFO [main.py:798]
{rank 0/64} MD step = 166200 step time: 00:00:00.338213 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:15:36,583 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166200 33240 59.391 -31950 6509.3 -38460 -38460 -5.5736 -9.1583 0.37225 2.907e+05 2024-05-17 14:16:11,670 INFO [main.py:798]
{rank 0/64} MD step = 166300 step time: 00:00:00.356437 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:16:16,369 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166300 33260 60.403 -31921 6620.2 -38542 -38542 -5.574 -9.1614 0.37175 2.9085e+05 2024-05-17 14:16:52,190 INFO [main.py:798]
{rank 0/64} MD step = 166400 step time: 00:00:00.346611 Performance: 41.331 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:16:57,648 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 59.997 -31773 6575.7 -38349 -38349 -5.5772 -9.1666 0.37221 2.9107e+05 2024-05-17 14:17:31,841 INFO [main.py:798]
{rank 0/64} MD step = 166500 step time: 00:00:00.346959 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:17:37,977 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166500 33300 60.372 -31788 6616.9 -38405 -38405 -5.5796 -9.1708 0.36989 2.912e+05 2024-05-17 14:18:12,319 INFO [main.py:798]
{rank 0/64} MD step = 166600 step time: 00:00:00.337286 Performance: 41.333 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:18:18,128 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 60.544 -31880 6635.6 -38516 -38516 -5.5819 -9.1764 0.36999 2.9137e+05 2024-05-17 14:18:52,333 INFO [main.py:798]
{rank 0/64} MD step = 166700 step time: 00:00:00.354562 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:18:57,326 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166700 33340 59.121 -31837 6479.7 -38316 -38316 -5.5822 -9.1805 0.37008 2.9156e+05 2024-05-17 14:19:33,138 INFO [main.py:798]
{rank 0/64} MD step = 166800 step time: 00:00:00.360907 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:19:40,410 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166800 33360 60.526 -31798 6633.7 -38431 -38431 -5.5847 -9.1848 0.3689 2.9175e+05 2024-05-17 14:20:15,102 INFO [main.py:798]
{rank 0/64} MD step = 166900 step time: 00:00:00.355138 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:20:22,018 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166900 33380 59.422 -32085 6512.7 -38598 -38598 -5.586 -9.1901 0.36787 2.9191e+05 2024-05-17 14:20:56,257 INFO [main.py:798]
{rank 0/64} MD step = 167000 step time: 00:00:00.342988 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:21:05,700 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 59.496 -31950 6520.8 -38470 -38470 -5.5879 -9.1957 0.36741 2.9211e+05 2024-05-17 14:21:39,174 INFO [main.py:798]
{rank 0/64} MD step = 167100 step time: 00:00:00.340583 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:21:47,914 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 59.642 -31919 6536.8 -38456 -38456 -5.586 -9.2001 0.36522 2.9231e+05 2024-05-17 14:22:22,454 INFO [main.py:798]
{rank 0/64} MD step = 167200 step time: 00:00:00.343980 Performance: 41.333 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:22:30,731 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 60.508 -31786 6631.7 -38418 -38418 -5.5842 -9.2052 0.36553 2.9249e+05 2024-05-17 14:23:05,204 INFO [main.py:798]
{rank 0/64} MD step = 167300 step time: 00:00:00.363140 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:23:11,239 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167300 33460 60.127 -31859 6590 -38449 -38449 -5.5811 -9.2101 0.36551 2.9269e+05 2024-05-17 14:23:46,250 INFO [main.py:798]
{rank 0/64} MD step = 167400 step time: 00:00:00.339777 Performance: 41.333 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:23:51,723 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167400 33480 59.008 -31972 6467.4 -38440 -38440 -5.5787 -9.2139 0.36647 2.9283e+05 2024-05-17 14:24:26,370 INFO [main.py:798]
{rank 0/64} MD step = 167500 step time: 00:00:00.356723 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:24:33,355 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167500 33500 59.955 -31959 6571.1 -38530 -38530 -5.5765 -9.2201 0.36543 2.9298e+05 2024-05-17 14:25:08,079 INFO [main.py:798]
{rank 0/64} MD step = 167600 step time: 00:00:00.357180 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:25:13,068 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167600 33520 60.827 -31846 6666.7 -38513 -38513 -5.5768 -9.2258 0.36448 2.9316e+05 2024-05-17 14:25:47,866 INFO [main.py:798]
{rank 0/64} MD step = 167700 step time: 00:00:00.365318 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:25:53,688 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167700 33540 59.406 -31810 6511 -38321 -38321 -5.5777 -9.2302 0.36459 2.9334e+05 2024-05-17 14:26:29,851 INFO [main.py:798]
{rank 0/64} MD step = 167800 step time: 00:00:00.372668 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:26:36,400 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167800 33560 59.752 -31912 6548.8 -38460 -38460 -5.5787 -9.2369 0.36366 2.9349e+05 2024-05-17 14:27:10,693 INFO [main.py:798]
{rank 0/64} MD step = 167900 step time: 00:00:00.350445 Performance: 41.336 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:27:16,782 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 59.491 -31824 6520.3 -38344 -38344 -5.5803 -9.2406 0.3644 2.9367e+05 2024-05-17 14:27:51,931 INFO [main.py:798]
{rank 0/64} MD step = 168000 step time: 00:00:00.350819 Performance: 41.336 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:27:57,332 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168000 33600 59.668 -32032 6539.7 -38572 -38572 -5.5812 -9.2452 0.36452 2.9386e+05 2024-05-17 14:28:31,877 INFO [main.py:798]
{rank 0/64} MD step = 168100 step time: 00:00:00.340126 Performance: 41.337 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:28:38,816 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 59.515 -31917 6522.9 -38440 -38440 -5.5828 -9.2514 0.36453 2.9401e+05 2024-05-17 14:29:13,325 INFO [main.py:798]
{rank 0/64} MD step = 168200 step time: 00:00:00.342215 Performance: 41.337 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:29:20,432 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168200 33640 60.225 -31913 6600.7 -38514 -38514 -5.5813 -9.2544 0.36373 2.9419e+05 2024-05-17 14:29:55,154 INFO [main.py:798]
{rank 0/64} MD step = 168300 step time: 00:00:00.349541 Performance: 41.337 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:30:00,707 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 58.919 -31940 6457.6 -38398 -38398 -5.5804 -9.2596 0.36406 2.9438e+05 2024-05-17 14:30:35,886 INFO [main.py:798]
{rank 0/64} MD step = 168400 step time: 00:00:00.375550 Performance: 41.338 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:30:41,110 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168400 33680 59.964 -31960 6572.1 -38532 -38532 -5.5782 -9.2633 0.36356 2.9452e+05 2024-05-17 14:31:15,722 INFO [main.py:798]
{rank 0/64} MD step = 168500 step time: 00:00:00.347843 Performance: 41.339 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:31:21,546 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168500 33700 60.532 -31989 6634.4 -38624 -38624 -5.5772 -9.2677 0.36357 2.947e+05 2024-05-17 14:31:56,365 INFO [main.py:798]
{rank 0/64} MD step = 168600 step time: 00:00:00.375908 Performance: 41.340 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:32:01,714 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168600 33720 59.671 -31881 6540 -38421 -38421 -5.5748 -9.272 0.36373 2.9492e+05 2024-05-17 14:32:36,915 INFO [main.py:798]
{rank 0/64} MD step = 168700 step time: 00:00:00.380903 Performance: 41.340 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:32:42,375 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168700 33740 60.438 -31887 6624 -38511 -38511 -5.5711 -9.277 0.36303 2.9506e+05 2024-05-17 14:33:17,089 INFO [main.py:798]
{rank 0/64} MD step = 168800 step time: 00:00:00.346353 Performance: 41.341 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:33:22,522 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168800 33760 58.998 -32105 6466.3 -38571 -38571 -5.5705 -9.281 0.36318 2.9522e+05 2024-05-17 14:33:57,090 INFO [main.py:798]
{rank 0/64} MD step = 168900 step time: 00:00:00.352319 Performance: 41.342 ns/day 0.581 hours/ns 2.393 steps/s 2024-05-17 14:34:01,943 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168900 33780 60.242 -31856 6602.6 -38459 -38459 -5.5702 -9.2867 0.36188 2.9541e+05 2024-05-17 14:34:36,344 INFO [main.py:798]
{rank 0/64} MD step = 169000 step time: 00:00:00.347638 Performance: 41.344 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 14:34:44,182 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 169000 33800 60.728 -31768 6655.9 -38424 -38424 -5.5711 -9.2914 0.36311 2.9561e+05 2024-05-17 14:35:19,260 INFO [main.py:798]
{rank 0/64} MD step = 169100 step time: 00:00:00.340648 Performance: 41.343 ns/day 0.581 hours/ns 2.393 steps/s 2024-05-17 14:35:26,224 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 169100 33820 59.363 -31890 6506.2 -38396 -38396 -5.573 -9.2953 0.36299 2.9581e+05 2024-05-17 14:36:00,932 INFO [main.py:798]
{rank 0/64} MD step = 169200 step time: 00:00:00.349013 Performance: 41.343 ns/day 0.581 hours/ns 2.393 steps/s 2024-05-17 14:36:09,551 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 169200 33840 59.928 -31819 6568.2 -38387 -38387 -5.5733 -9.3003 0.36194 2.9595e+05 2024-05-17 14:36:44,166 INFO [main.py:798]
{rank 0/64} MD step = 169300 step time: 00:00:00.343568 Performance: 41.343 ns/day 0.581 hours/ns 2.393 steps/s 2024-05-17 14:36:49,980 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 60.422 -31833 6622.4 -38455 -38455 -5.5734 -9.3054 0.36153 2.9614e+05 2024-05-17 14:37:24,745 INFO [main.py:798]
{rank 0/64} MD step = 169400 step time: 00:00:00.350718 Performance: 41.343 ns/day 0.581 hours/ns 2.393 steps/s 2024-05-17 14:37:34,150 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 169400 33880 59.896 -31941 6564.7 -38506 -38506 -5.57 -9.3097 0.36124 2.9635e+05 2024-05-17 14:38:08,686 INFO [main.py:798]
{rank 0/64} MD step = 169500 step time: 00:00:00.347535 Performance: 41.342 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:38:17,678 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 60.6 -31851 6641.8 -38493 -38493 -5.5688 -9.315 0.36075 2.9654e+05 2024-05-17 14:38:53,799 INFO [main.py:798]
{rank 0/64} MD step = 169600 step time: 00:00:00.339252 Performance: 41.340 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:39:00,280 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 169600 33920 59.152 -32049 6483.1 -38532 -38532 -5.5692 -9.3209 0.36081 2.967e+05 2024-05-17 14:39:37,234 INFO [main.py:798]
{rank 0/64} MD step = 169700 step time: 00:00:00.334363 Performance: 41.339 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:39:41,303 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 59.625 -31967 6534.9 -38501 -38501 -5.5703 -9.3249 0.36039 2.9684e+05 2024-05-17 14:40:17,897 INFO [main.py:798]
{rank 0/64} MD step = 169800 step time: 00:00:00.343902 Performance: 41.340 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:40:23,019 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 60.257 -31880 6604.3 -38485 -38485 -5.5708 -9.33 0.35974 2.9703e+05 2024-05-17 14:40:58,119 INFO [main.py:798]
{rank 0/64} MD step = 169900 step time: 00:00:00.347525 Performance: 41.341 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:41:03,833 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 169900 33980 59.887 -31829 6563.6 -38392 -38392 -5.5726 -9.3357 0.35975 2.9721e+05 2024-05-17 14:41:39,952 INFO [main.py:798]
{rank 0/64} MD step = 170000 step time: 00:00:00.379161 Performance: 41.341 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:41:45,607 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 60.803 -31850 6664.1 -38514 -38514 -5.5754 -9.3398 0.35716 2.9739e+05 2024-05-17 14:42:18,794 INFO [main.py:798]
{rank 0/64} MD step = 170100 step time: 00:00:00.343271 Performance: 41.342 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:42:25,625 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170100 34020 60.052 -32153 6581.8 -38735 -38735 -5.5753 -9.3433 0.35623 2.9752e+05 2024-05-17 14:43:00,509 INFO [main.py:798]
{rank 0/64} MD step = 170200 step time: 00:00:00.346146 Performance: 41.342 ns/day 0.581 hours/ns 2.393 steps/s 2024-05-17 14:43:07,778 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170200 34040 60.549 -31841 6636.3 -38477 -38477 -5.5766 -9.3482 0.35634 2.9775e+05 2024-05-17 14:43:41,827 INFO [main.py:798]
{rank 0/64} MD step = 170300 step time: 00:00:00.336707 Performance: 41.343 ns/day 0.581 hours/ns 2.393 steps/s 2024-05-17 14:43:48,101 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170300 34060 59.418 -32021 6512.3 -38534 -38534 -5.5759 -9.3535 0.35552 2.9794e+05 2024-05-17 14:44:24,105 INFO [main.py:798]
{rank 0/64} MD step = 170400 step time: 00:00:00.359520 Performance: 41.342 ns/day 0.581 hours/ns 2.393 steps/s 2024-05-17 14:44:31,533 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170400 34080 60.421 -31911 6622.2 -38533 -38533 -5.5771 -9.3569 0.35448 2.9811e+05 2024-05-17 14:45:06,216 INFO [main.py:798]
{rank 0/64} MD step = 170500 step time: 00:00:00.353463 Performance: 41.342 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 14:45:11,229 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170500 34100 60.337 -31948 6613 -38561 -38561 -5.5778 -9.3636 0.3538 2.9825e+05 2024-05-17 14:45:46,148 INFO [main.py:798]
{rank 0/64} MD step = 170600 step time: 00:00:00.349629 Performance: 41.343 ns/day 0.581 hours/ns 2.393 steps/s 2024-05-17 14:45:51,963 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170600 34120 60.009 -31880 6577.1 -38457 -38457 -5.5796 -9.3699 0.3554 2.9841e+05 2024-05-17 14:46:26,748 INFO [main.py:798]
{rank 0/64} MD step = 170700 step time: 00:00:00.365716 Performance: 41.344 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 14:46:31,468 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 59.632 -31979 6535.7 -38515 -38515 -5.5812 -9.3767 0.35377 2.9859e+05 2024-05-17 14:47:06,364 INFO [main.py:798]
{rank 0/64} MD step = 170800 step time: 00:00:00.350490 Performance: 41.345 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 14:47:10,204 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170800 34160 59.422 -32001 6512.7 -38514 -38514 -5.5811 -9.3819 0.3517 2.9878e+05 2024-05-17 14:47:47,031 INFO [main.py:798]
{rank 0/64} MD step = 170900 step time: 00:00:00.350876 Performance: 41.346 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 14:47:51,899 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 59.556 -31925 6527.4 -38452 -38452 -5.5808 -9.3855 0.35182 2.9898e+05 2024-05-17 14:48:27,797 INFO [main.py:798]
{rank 0/64} MD step = 171000 step time: 00:00:00.357390 Performance: 41.347 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 14:48:33,516 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 171000 34200 59.868 -31935 6561.6 -38496 -38496 -5.5799 -9.3901 0.35208 2.9917e+05 2024-05-17 14:49:07,892 INFO [main.py:798]
{rank 0/64} MD step = 171100 step time: 00:00:00.359506 Performance: 41.347 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 14:49:13,279 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 171100 34220 60.051 -31927 6581.6 -38508 -38508 -5.5798 -9.3939 0.35147 2.9933e+05 2024-05-17 14:49:48,074 INFO [main.py:798]
{rank 0/64} MD step = 171200 step time: 00:00:00.355188 Performance: 41.348 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 14:49:54,616 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 171200 34240 60.99 -31887 6684.5 -38572 -38572 -5.579 -9.3991 0.35175 2.9947e+05 2024-05-17 14:50:30,086 INFO [main.py:798]
{rank 0/64} MD step = 171300 step time: 00:00:00.375994 Performance: 41.348 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 14:50:38,168 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 59.399 -32023 6510.2 -38533 -38533 -5.5791 -9.4034 0.35137 2.9964e+05 2024-05-17 14:51:13,419 INFO [main.py:798]
{rank 0/64} MD step = 171400 step time: 00:00:00.344130 Performance: 41.347 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 14:51:20,557 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 59.693 -31899 6542.5 -38441 -38441 -5.5806 -9.4069 0.35198 2.9984e+05 2024-05-17 14:51:54,958 INFO [main.py:798]
{rank 0/64} MD step = 171500 step time: 00:00:00.372891 Performance: 41.348 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 14:52:00,660 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 171500 34300 61.008 -31770 6686.5 -38457 -38457 -5.582 -9.4117 0.35286 3.0001e+05 2024-05-17 14:52:35,902 INFO [main.py:798]
{rank 0/64} MD step = 171600 step time: 00:00:00.376881 Performance: 41.348 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 14:52:41,466 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 60.57 -31878 6638.6 -38516 -38516 -5.5857 -9.418 0.35309 3.0018e+05 2024-05-17 14:53:15,700 INFO [main.py:798]
{rank 0/64} MD step = 171700 step time: 00:00:00.344015 Performance: 41.349 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 14:53:25,281 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 60.15 -32024 6592.5 -38617 -38617 -5.5886 -9.4234 0.35019 3.0033e+05 2024-05-17 14:53:59,993 INFO [main.py:798]
{rank 0/64} MD step = 171800 step time: 00:00:00.351320 Performance: 41.348 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 14:54:04,124 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 60.168 -31795 6594.4 -38390 -38390 -5.5903 -9.4276 0.35252 3.0054e+05 2024-05-17 14:54:40,077 INFO [main.py:798]
{rank 0/64} MD step = 171900 step time: 00:00:00.367015 Performance: 41.349 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 14:54:45,619 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 171900 34380 60.079 -31796 6584.7 -38381 -38381 -5.5913 -9.4319 0.35352 3.0072e+05 2024-05-17 14:55:20,629 INFO [main.py:798]
{rank 0/64} MD step = 172000 step time: 00:00:00.353525 Performance: 41.349 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 14:55:27,131 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 59.706 -31915 6543.9 -38458 -38458 -5.5916 -9.4368 0.35442 3.0089e+05 2024-05-17 14:56:01,668 INFO [main.py:798]
{rank 0/64} MD step = 172100 step time: 00:00:00.356484 Performance: 41.350 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 14:56:06,348 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172100 34420 59.588 -31911 6530.9 -38442 -38442 -5.5929 -9.4414 0.35533 3.0106e+05 2024-05-17 14:56:41,375 INFO [main.py:798]
{rank 0/64} MD step = 172200 step time: 00:00:00.351315 Performance: 41.351 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 14:56:47,274 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 60.881 -31840 6672.6 -38513 -38513 -5.5932 -9.4466 0.35421 3.0122e+05 2024-05-17 14:57:21,827 INFO [main.py:798]
{rank 0/64} MD step = 172300 step time: 00:00:00.346709 Performance: 41.352 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 14:57:26,825 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 59.817 -31920 6556 -38476 -38476 -5.5928 -9.4515 0.35434 3.0135e+05 2024-05-17 14:58:02,362 INFO [main.py:798]
{rank 0/64} MD step = 172400 step time: 00:00:00.371883 Performance: 41.353 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 14:58:10,217 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172400 34480 59.819 -31922 6556.3 -38479 -38479 -5.5925 -9.4564 0.35337 3.0154e+05 2024-05-17 14:58:43,969 INFO [main.py:798]
{rank 0/64} MD step = 172500 step time: 00:00:00.344943 Performance: 41.353 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 14:58:52,987 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172500 34500 60.646 -31994 6646.9 -38641 -38641 -5.593 -9.4605 0.35236 3.0167e+05 2024-05-17 14:59:28,355 INFO [main.py:798]
{rank 0/64} MD step = 172600 step time: 00:00:00.338192 Performance: 41.351 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 14:59:35,520 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 60.386 -31817 6618.4 -38435 -38435 -5.592 -9.4674 0.35168 3.0191e+05 2024-05-17 15:00:09,786 INFO [main.py:798]
{rank 0/64} MD step = 172700 step time: 00:00:00.354243 Performance: 41.351 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 15:00:18,216 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 59.745 -31996 6548.1 -38544 -38544 -5.5936 -9.4721 0.35002 3.0204e+05 2024-05-17 15:00:53,319 INFO [main.py:798]
{rank 0/64} MD step = 172800 step time: 00:00:00.377396 Performance: 41.350 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 15:00:58,906 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 59.77 -31801 6550.9 -38352 -38352 -5.5943 -9.4771 0.34961 3.0224e+05 2024-05-17 15:01:33,410 INFO [main.py:798]
{rank 0/64} MD step = 172900 step time: 00:00:00.350720 Performance: 41.351 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 15:01:38,321 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172900 34580 59.85 -31902 6559.6 -38462 -38462 -5.5972 -9.4827 0.34933 3.0242e+05 2024-05-17 15:02:13,656 INFO [main.py:798]
{rank 0/64} MD step = 173000 step time: 00:00:00.347735 Performance: 41.352 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 15:02:17,477 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 60.24 -31886 6602.4 -38488 -38488 -5.5984 -9.4862 0.34871 3.0257e+05 2024-05-17 15:02:53,561 INFO [main.py:798]
{rank 0/64} MD step = 173100 step time: 00:00:00.373748 Performance: 41.353 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 15:02:58,596 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173100 34620 60.453 -31944 6625.7 -38570 -38570 -5.5999 -9.4911 0.34871 3.0272e+05 2024-05-17 15:03:35,253 INFO [main.py:798]
{rank 0/64} MD step = 173200 step time: 00:00:00.378906 Performance: 41.353 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 15:03:40,850 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173200 34640 59.567 -31973 6528.6 -38501 -38501 -5.6027 -9.4974 0.34887 3.0292e+05 2024-05-17 15:04:15,961 INFO [main.py:798]
{rank 0/64} MD step = 173300 step time: 00:00:00.369648 Performance: 41.354 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 15:04:20,573 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 59.996 -31902 6575.6 -38477 -38477 -5.6032 -9.5019 0.34989 3.0311e+05 2024-05-17 15:04:55,710 INFO [main.py:798]
{rank 0/64} MD step = 173400 step time: 00:00:00.370615 Performance: 41.355 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 15:05:00,908 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173400 34680 60.186 -31821 6596.5 -38418 -38418 -5.6014 -9.5077 0.34966 3.033e+05 2024-05-17 15:05:36,682 INFO [main.py:798]
{rank 0/64} MD step = 173500 step time: 00:00:00.371344 Performance: 41.356 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 15:05:46,349 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173500 34700 60.301 -31811 6609.1 -38420 -38420 -5.5998 -9.5139 0.35079 3.0346e+05 2024-05-17 15:06:20,571 INFO [main.py:798]
{rank 0/64} MD step = 173600 step time: 00:00:00.352889 Performance: 41.354 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 15:06:26,438 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173600 34720 60.043 -32002 6580.8 -38583 -38583 -5.6009 -9.5187 0.35027 3.036e+05 2024-05-17 15:07:01,009 INFO [main.py:798]
{rank 0/64} MD step = 173700 step time: 00:00:00.341675 Performance: 41.355 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 15:07:07,298 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173700 34740 59.782 -31999 6552.2 -38552 -38552 -5.6027 -9.5222 0.34813 3.0379e+05 2024-05-17 15:07:41,248 INFO [main.py:798]
{rank 0/64} MD step = 173800 step time: 00:00:00.348958 Performance: 41.356 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 15:07:47,969 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173800 34760 60.102 -31821 6587.2 -38409 -38409 -5.6032 -9.5259 0.34669 3.0397e+05 2024-05-17 15:08:23,006 INFO [main.py:798]
{rank 0/64} MD step = 173900 step time: 00:00:00.358991 Performance: 41.356 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 15:08:30,779 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 59.554 -31788 6527.2 -38315 -38315 -5.6024 -9.5312 0.3472 3.0414e+05 2024-05-17 15:09:05,764 INFO [main.py:798]
{rank 0/64} MD step = 174000 step time: 00:00:00.357069 Performance: 41.356 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 15:09:12,306 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174000 34800 60.688 -31802 6651.4 -38454 -38454 -5.6022 -9.5351 0.34651 3.0429e+05 2024-05-17 15:09:46,492 INFO [main.py:798]
{rank 0/64} MD step = 174100 step time: 00:00:00.348485 Performance: 41.356 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 15:09:52,048 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174100 34820 60.338 -31823 6613.1 -38436 -38436 -5.6025 -9.5415 0.34606 3.0446e+05 2024-05-17 15:10:28,471 INFO [main.py:798]
{rank 0/64} MD step = 174200 step time: 00:00:00.370355 Performance: 41.356 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 15:10:33,608 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174200 34840 59.744 -31873 6548 -38421 -38421 -5.6037 -9.546 0.34547 3.0469e+05 2024-05-17 15:11:08,300 INFO [main.py:798]
{rank 0/64} MD step = 174300 step time: 00:00:00.353509 Performance: 41.357 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 15:11:13,340 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 60.292 -31870 6608 -38478 -38478 -5.6037 -9.5491 0.34674 3.0485e+05 2024-05-17 15:11:49,104 INFO [main.py:798]
{rank 0/64} MD step = 174400 step time: 00:00:00.345699 Performance: 41.358 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 15:11:53,265 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 59.039 -31961 6470.7 -38432 -38432 -5.6058 -9.5551 0.34571 3.05e+05 2024-05-17 15:12:29,496 INFO [main.py:798]
{rank 0/64} MD step = 174500 step time: 00:00:00.382983 Performance: 41.358 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 15:12:34,221 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174500 34900 60.346 -31958 6614 -38572 -38572 -5.605 -9.5599 0.34638 3.0521e+05 2024-05-17 15:13:08,791 INFO [main.py:798]
{rank 0/64} MD step = 174600 step time: 00:00:00.347598 Performance: 41.360 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:13:13,811 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174600 34920 59.38 -31884 6508.1 -38392 -38392 -5.6068 -9.5651 0.34709 3.0541e+05 2024-05-17 15:13:48,265 INFO [main.py:798]
{rank 0/64} MD step = 174700 step time: 00:00:00.353405 Performance: 41.361 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:13:52,814 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174700 34940 59.908 -31848 6566 -38414 -38414 -5.6087 -9.5703 0.348 3.0554e+05 2024-05-17 15:14:27,900 INFO [main.py:798]
{rank 0/64} MD step = 174800 step time: 00:00:00.352022 Performance: 41.362 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:14:34,503 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174800 34960 59.949 -31839 6570.5 -38409 -38409 -5.6078 -9.5749 0.34669 3.0569e+05 2024-05-17 15:15:09,519 INFO [main.py:798]
{rank 0/64} MD step = 174900 step time: 00:00:00.347097 Performance: 41.362 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:15:15,218 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 60.75 -31908 6658.3 -38567 -38567 -5.6061 -9.5803 0.34676 3.0584e+05 2024-05-17 15:15:50,055 INFO [main.py:798]
{rank 0/64} MD step = 175000 step time: 00:00:00.347278 Performance: 41.363 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:15:54,074 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 60.379 -31926 6617.6 -38544 -38544 -5.6046 -9.5847 0.34624 3.0603e+05 2024-05-17 15:16:28,595 INFO [main.py:798]
{rank 0/64} MD step = 175100 step time: 00:00:00.355939 Performance: 41.365 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:16:35,659 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 59.316 -31994 6501.1 -38495 -38495 -5.6011 -9.5902 0.34632 3.0622e+05 2024-05-17 15:17:11,562 INFO [main.py:798]
{rank 0/64} MD step = 175200 step time: 00:00:00.344503 Performance: 41.364 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:17:19,322 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 60.245 -31920 6602.9 -38523 -38523 -5.6003 -9.5947 0.34612 3.0636e+05 2024-05-17 15:17:53,969 INFO [main.py:798]
{rank 0/64} MD step = 175300 step time: 00:00:00.350230 Performance: 41.364 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:17:59,980 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 175300 35060 60.045 -31936 6581 -38517 -38517 -5.6001 -9.5998 0.34594 3.0653e+05 2024-05-17 15:18:35,151 INFO [main.py:798]
{rank 0/64} MD step = 175400 step time: 00:00:00.345592 Performance: 41.364 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:18:42,316 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 175400 35080 60.244 -31913 6602.8 -38516 -38516 -5.6001 -9.6056 0.3472 3.0668e+05 2024-05-17 15:19:16,813 INFO [main.py:798]
{rank 0/64} MD step = 175500 step time: 00:00:00.373072 Performance: 41.364 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:19:26,301 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 61.064 -31659 6692.7 -38352 -38352 -5.6017 -9.6111 0.34745 3.0689e+05 2024-05-17 15:20:01,346 INFO [main.py:798]
{rank 0/64} MD step = 175600 step time: 00:00:00.353179 Performance: 41.363 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:20:07,827 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 175600 35120 59.391 -31807 6509.3 -38316 -38316 -5.6004 -9.6159 0.34678 3.0711e+05 2024-05-17 15:20:44,387 INFO [main.py:798]
{rank 0/64} MD step = 175700 step time: 00:00:00.339906 Performance: 41.362 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:20:52,636 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 175700 35140 60.086 -31893 6585.5 -38478 -38478 -5.6016 -9.6216 0.34674 3.0725e+05 2024-05-17 15:21:27,743 INFO [main.py:798]
{rank 0/64} MD step = 175800 step time: 00:00:00.331711 Performance: 41.361 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:21:40,459 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 175800 35160 59.807 -31980 6555 -38535 -38535 -5.6011 -9.6246 0.34785 3.0742e+05 2024-05-17 15:22:17,473 INFO [main.py:798]
{rank 0/64} MD step = 175900 step time: 00:00:00.375527 Performance: 41.357 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 15:22:23,982 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 175900 35180 60.187 -31914 6596.5 -38510 -38510 -5.5986 -9.6314 0.34871 3.0762e+05 2024-05-17 15:22:59,028 INFO [main.py:798]
{rank 0/64} MD step = 176000 step time: 00:00:00.337283 Performance: 41.357 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 15:23:04,686 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176000 35200 61.101 -31800 6696.8 -38496 -38496 -5.5963 -9.6371 0.35012 3.0778e+05 2024-05-17 15:23:39,056 INFO [main.py:798]
{rank 0/64} MD step = 176100 step time: 00:00:00.351767 Performance: 41.358 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 15:23:43,717 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176100 35220 60.801 -31880 6663.9 -38544 -38544 -5.5944 -9.644 0.35038 3.0794e+05 2024-05-17 15:24:19,403 INFO [main.py:798]
{rank 0/64} MD step = 176200 step time: 00:00:00.355218 Performance: 41.359 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 15:24:25,059 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 61.269 -31827 6715.1 -38542 -38542 -5.5908 -9.6496 0.34975 3.0811e+05 2024-05-17 15:24:59,417 INFO [main.py:798]
{rank 0/64} MD step = 176300 step time: 00:00:00.341862 Performance: 41.360 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 15:25:04,376 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176300 35260 60.772 -31751 6660.7 -38412 -38412 -5.5892 -9.6557 0.34871 3.083e+05 2024-05-17 15:25:39,233 INFO [main.py:798]
{rank 0/64} MD step = 176400 step time: 00:00:00.334674 Performance: 41.361 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:25:43,927 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176400 35280 59.083 -31961 6475.6 -38437 -38437 -5.5885 -9.661 0.34803 3.0848e+05 2024-05-17 15:26:19,481 INFO [main.py:798]
{rank 0/64} MD step = 176500 step time: 00:00:00.349859 Performance: 41.362 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:26:25,420 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176500 35300 60.411 -31914 6621.1 -38535 -38535 -5.5872 -9.667 0.34722 3.0865e+05 2024-05-17 15:26:59,464 INFO [main.py:798]
{rank 0/64} MD step = 176600 step time: 00:00:00.337939 Performance: 41.363 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:27:06,004 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176600 35320 59.193 -32026 6487.7 -38513 -38513 -5.5861 -9.6722 0.34773 3.0883e+05 2024-05-17 15:27:40,386 INFO [main.py:798]
{rank 0/64} MD step = 176700 step time: 00:00:00.354652 Performance: 41.363 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:27:54,713 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176700 35340 60.644 -31726 6646.6 -38373 -38373 -5.5873 -9.6787 0.34791 3.0904e+05 2024-05-17 15:28:29,310 INFO [main.py:798]
{rank 0/64} MD step = 176800 step time: 00:00:00.355699 Performance: 41.359 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 15:28:35,633 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176800 35360 59.786 -31992 6552.7 -38545 -38545 -5.5878 -9.6839 0.34772 3.0917e+05 2024-05-17 15:29:09,710 INFO [main.py:798]
{rank 0/64} MD step = 176900 step time: 00:00:00.333000 Performance: 41.360 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:29:14,974 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176900 35380 59.286 -31971 6497.8 -38469 -38469 -5.5882 -9.69 0.3485 3.0935e+05 2024-05-17 15:29:50,074 INFO [main.py:798]
{rank 0/64} MD step = 177000 step time: 00:00:00.367256 Performance: 41.361 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:29:55,596 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 60.199 -31850 6597.9 -38448 -38448 -5.5865 -9.6953 0.3496 3.0954e+05 2024-05-17 15:30:30,492 INFO [main.py:798]
{rank 0/64} MD step = 177100 step time: 00:00:00.354120 Performance: 41.361 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:30:35,787 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 177100 35420 59.468 -31962 6517.8 -38480 -38480 -5.5852 -9.7014 0.35042 3.097e+05 2024-05-17 15:31:10,574 INFO [main.py:798]
{rank 0/64} MD step = 177200 step time: 00:00:00.351363 Performance: 41.362 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:31:16,590 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 177200 35440 60.696 -31837 6652.4 -38490 -38490 -5.5834 -9.7086 0.34875 3.0989e+05 2024-05-17 15:31:51,998 INFO [main.py:798]
{rank 0/64} MD step = 177300 step time: 00:00:00.372355 Performance: 41.363 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:31:57,663 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 61.229 -31810 6710.8 -38520 -38520 -5.5821 -9.7137 0.34794 3.1004e+05 2024-05-17 15:32:32,225 INFO [main.py:798]
{rank 0/64} MD step = 177400 step time: 00:00:00.342107 Performance: 41.363 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:32:38,050 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 61.06 -31715 6692.2 -38407 -38407 -5.5817 -9.7182 0.34749 3.1023e+05 2024-05-17 15:33:12,264 INFO [main.py:798]
{rank 0/64} MD step = 177500 step time: 00:00:00.348849 Performance: 41.364 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:33:19,199 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 177500 35500 60.117 -31949 6588.9 -38538 -38538 -5.5816 -9.7253 0.3484 3.1039e+05 2024-05-17 15:33:53,533 INFO [main.py:798]
{rank 0/64} MD step = 177600 step time: 00:00:00.357156 Performance: 41.365 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:33:58,962 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 59.609 -31840 6533.2 -38373 -38373 -5.5798 -9.7307 0.34741 3.106e+05 2024-05-17 15:34:33,047 INFO [main.py:798]
{rank 0/64} MD step = 177700 step time: 00:00:00.346233 Performance: 41.366 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:34:38,478 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 177700 35540 59.994 -31873 6575.4 -38449 -38449 -5.5807 -9.7358 0.34781 3.1074e+05 2024-05-17 15:35:14,156 INFO [main.py:798]
{rank 0/64} MD step = 177800 step time: 00:00:00.359265 Performance: 41.366 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:35:19,922 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 177800 35560 60.203 -31759 6598.3 -38357 -38357 -5.5785 -9.7415 0.34739 3.109e+05 2024-05-17 15:35:54,421 INFO [main.py:798]
{rank 0/64} MD step = 177900 step time: 00:00:00.350431 Performance: 41.367 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:36:00,932 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 59.597 -31828 6531.9 -38360 -38360 -5.5759 -9.7464 0.3481 3.1108e+05 2024-05-17 15:36:35,400 INFO [main.py:798]
{rank 0/64} MD step = 178000 step time: 00:00:00.370886 Performance: 41.368 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:36:40,898 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 178000 35600 59.058 -31948 6472.9 -38421 -38421 -5.5743 -9.7504 0.34887 3.1124e+05 2024-05-17 15:37:15,289 INFO [main.py:798]
{rank 0/64} MD step = 178100 step time: 00:00:00.344895 Performance: 41.369 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:37:21,261 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 178100 35620 59.462 -32010 6517.1 -38527 -38527 -5.5733 -9.7536 0.34779 3.1141e+05 2024-05-17 15:37:55,354 INFO [main.py:798]
{rank 0/64} MD step = 178200 step time: 00:00:00.339618 Performance: 41.370 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:38:01,134 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 178200 35640 59.963 -31934 6572 -38506 -38506 -5.5749 -9.7589 0.34785 3.1159e+05 2024-05-17 15:38:35,949 INFO [main.py:798]
{rank 0/64} MD step = 178300 step time: 00:00:00.344658 Performance: 41.370 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:38:43,738 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 60.171 -31813 6594.8 -38408 -38408 -5.5739 -9.7638 0.34762 3.1178e+05 2024-05-17 15:39:19,491 INFO [main.py:798]
{rank 0/64} MD step = 178400 step time: 00:00:00.346548 Performance: 41.369 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:39:27,685 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 60.051 -32006 6581.7 -38588 -38588 -5.5741 -9.7694 0.34711 3.1193e+05 2024-05-17 15:40:02,102 INFO [main.py:798]
{rank 0/64} MD step = 178500 step time: 00:00:00.352593 Performance: 41.369 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:40:06,897 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 59.598 -31891 6532 -38423 -38423 -5.5753 -9.7735 0.34882 3.1213e+05 2024-05-17 15:40:42,040 INFO [main.py:798]
{rank 0/64} MD step = 178600 step time: 00:00:00.352064 Performance: 41.370 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:40:47,685 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 178600 35720 59.611 -31845 6533.5 -38378 -38378 -5.575 -9.7783 0.34771 3.1226e+05 2024-05-17 15:41:23,508 INFO [main.py:798]
{rank 0/64} MD step = 178700 step time: 00:00:00.355191 Performance: 41.370 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:41:29,055 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 60.316 -31703 6610.7 -38313 -38313 -5.5752 -9.7834 0.34712 3.1245e+05 2024-05-17 15:42:03,085 INFO [main.py:798]
{rank 0/64} MD step = 178800 step time: 00:00:00.343060 Performance: 41.371 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:42:08,976 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 178800 35760 59.233 -32012 6492.1 -38504 -38504 -5.5756 -9.7888 0.34726 3.126e+05 2024-05-17 15:42:43,486 INFO [main.py:798]
{rank 0/64} MD step = 178900 step time: 00:00:00.332642 Performance: 41.372 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:42:51,053 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 178900 35780 59.71 -31862 6544.3 -38406 -38406 -5.5765 -9.7934 0.34811 3.1279e+05 2024-05-17 15:43:25,168 INFO [main.py:798]
{rank 0/64} MD step = 179000 step time: 00:00:00.331707 Performance: 41.372 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:43:30,717 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 58.892 -31790 6454.6 -38245 -38245 -5.5772 -9.7993 0.34722 3.1298e+05 2024-05-17 15:44:05,482 INFO [main.py:798]
{rank 0/64} MD step = 179100 step time: 00:00:00.336109 Performance: 41.373 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:44:11,955 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 60.713 -31718 6654.3 -38373 -38373 -5.5777 -9.8037 0.34646 3.1317e+05 2024-05-17 15:44:47,587 INFO [main.py:798]
{rank 0/64} MD step = 179200 step time: 00:00:00.343219 Performance: 41.373 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:44:54,062 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179200 35840 60.217 -31826 6599.9 -38426 -38426 -5.5776 -9.8093 0.346 3.1333e+05 2024-05-17 15:45:30,254 INFO [main.py:798]
{rank 0/64} MD step = 179300 step time: 00:00:00.329882 Performance: 41.372 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:45:39,197 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179300 35860 60.452 -31717 6625.6 -38343 -38343 -5.5761 -9.8146 0.34653 3.1355e+05 2024-05-17 15:46:14,187 INFO [main.py:798]
{rank 0/64} MD step = 179400 step time: 00:00:00.328728 Performance: 41.371 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:46:21,651 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179400 35880 59.588 -31854 6530.9 -38385 -38385 -5.5755 -9.819 0.34618 3.1372e+05 2024-05-17 15:46:56,632 INFO [main.py:798]
{rank 0/64} MD step = 179500 step time: 00:00:00.372160 Performance: 41.371 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:47:01,833 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179500 35900 59.175 -32043 6485.7 -38528 -38528 -5.5748 -9.8236 0.3473 3.1388e+05 2024-05-17 15:47:36,206 INFO [main.py:798]
{rank 0/64} MD step = 179600 step time: 00:00:00.349923 Performance: 41.372 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:47:42,359 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179600 35920 61.096 -31705 6696.2 -38401 -38401 -5.577 -9.8282 0.34881 3.1407e+05 2024-05-17 15:48:16,892 INFO [main.py:798]
{rank 0/64} MD step = 179700 step time: 00:00:00.354532 Performance: 41.372 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:48:21,888 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 59.875 -31802 6562.3 -38364 -38364 -5.5788 -9.833 0.34834 3.1425e+05 2024-05-17 15:48:59,630 INFO [main.py:798]
{rank 0/64} MD step = 179800 step time: 00:00:00.350645 Performance: 41.372 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:49:05,482 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179800 35960 60.893 -31834 6673.9 -38508 -38508 -5.5804 -9.8389 0.34632 3.1439e+05 2024-05-17 15:49:40,655 INFO [main.py:798]
{rank 0/64} MD step = 179900 step time: 00:00:00.357154 Performance: 41.372 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:49:45,830 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179900 35980 60.249 -31776 6603.4 -38380 -38380 -5.5825 -9.8433 0.34776 3.1459e+05 2024-05-17 15:50:20,605 INFO [main.py:798]
{rank 0/64} MD step = 180000 step time: 00:00:00.342900 Performance: 41.373 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:50:26,296 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180000 36000 59.642 -31855 6536.8 -38392 -38392 -5.5851 -9.8486 0.3467 3.1475e+05 2024-05-17 15:51:01,393 INFO [main.py:798]
{rank 0/64} MD step = 180100 step time: 00:00:00.354952 Performance: 41.374 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:51:07,084 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180100 36020 60.226 -31805 6600.9 -38406 -38406 -5.5862 -9.8537 0.34624 3.1489e+05 2024-05-17 15:51:41,961 INFO [main.py:798]
{rank 0/64} MD step = 180200 step time: 00:00:00.361201 Performance: 41.374 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:51:46,910 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 60.047 -31792 6581.2 -38373 -38373 -5.5858 -9.8595 0.34455 3.1506e+05 2024-05-17 15:52:21,975 INFO [main.py:798]
{rank 0/64} MD step = 180300 step time: 00:00:00.351954 Performance: 41.375 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:52:27,247 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 59.881 -31816 6563.1 -38379 -38379 -5.585 -9.864 0.34537 3.1524e+05 2024-05-17 15:53:01,988 INFO [main.py:798]
{rank 0/64} MD step = 180400 step time: 00:00:00.365171 Performance: 41.376 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:53:08,329 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180400 36080 59.629 -31910 6535.5 -38445 -38445 -5.5844 -9.869 0.34777 3.1539e+05 2024-05-17 15:53:42,479 INFO [main.py:798]
{rank 0/64} MD step = 180500 step time: 00:00:00.348218 Performance: 41.377 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 15:53:51,086 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180500 36100 60.382 -31668 6618 -38286 -38286 -5.5843 -9.8735 0.34707 3.156e+05 2024-05-17 15:54:25,736 INFO [main.py:798]
{rank 0/64} MD step = 180600 step time: 00:00:00.362002 Performance: 41.376 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:54:33,476 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180600 36120 59.226 -31937 6491.3 -38428 -38428 -5.5857 -9.8793 0.34857 3.1577e+05 2024-05-17 15:55:07,824 INFO [main.py:798]
{rank 0/64} MD step = 180700 step time: 00:00:00.351596 Performance: 41.376 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:55:12,909 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180700 36140 60.821 -31764 6666.1 -38430 -38430 -5.5865 -9.8866 0.34964 3.1595e+05 2024-05-17 15:55:47,941 INFO [main.py:798]
{rank 0/64} MD step = 180800 step time: 00:00:00.374797 Performance: 41.377 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:55:53,551 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180800 36160 60.062 -31773 6582.9 -38356 -38356 -5.5882 -9.8903 0.34878 3.1615e+05 2024-05-17 15:56:28,469 INFO [main.py:798]
{rank 0/64} MD step = 180900 step time: 00:00:00.335218 Performance: 41.378 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 15:56:38,334 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180900 36180 59.99 -31751 6575 -38326 -38326 -5.5905 -9.8955 0.34775 3.1635e+05 2024-05-17 15:57:13,436 INFO [main.py:798]
{rank 0/64} MD step = 181000 step time: 00:00:00.352882 Performance: 41.376 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:57:18,165 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 60.639 -31932 6646.1 -38579 -38579 -5.5926 -9.9 0.34636 3.1647e+05 2024-05-17 15:57:53,902 INFO [main.py:798]
{rank 0/64} MD step = 181100 step time: 00:00:00.350686 Performance: 41.377 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 15:57:58,523 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 181100 36220 60.044 -31830 6580.9 -38411 -38411 -5.5936 -9.9047 0.34666 3.1667e+05 2024-05-17 15:58:32,911 INFO [main.py:798]
{rank 0/64} MD step = 181200 step time: 00:00:00.344528 Performance: 41.378 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 15:58:38,160 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 60.589 -31866 6640.6 -38506 -38506 -5.5948 -9.9095 0.3462 3.1684e+05 2024-05-17 15:59:13,479 INFO [main.py:798]
{rank 0/64} MD step = 181300 step time: 00:00:00.371196 Performance: 41.379 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 15:59:18,996 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 61.185 -31636 6706 -38342 -38342 -5.5953 -9.9171 0.3477 3.1702e+05 2024-05-17 15:59:53,655 INFO [main.py:798]
{rank 0/64} MD step = 181400 step time: 00:00:00.363471 Performance: 41.380 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 15:59:57,758 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 181400 36280 60.433 -31927 6623.5 -38551 -38551 -5.5982 -9.9235 0.34798 3.1716e+05 2024-05-17 16:00:35,219 INFO [main.py:798]
{rank 0/64} MD step = 181500 step time: 00:00:00.353126 Performance: 41.380 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:00:40,431 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 181500 36300 59.356 -31977 6505.5 -38483 -38483 -5.5985 -9.9288 0.34815 3.1735e+05 2024-05-17 16:01:15,338 INFO [main.py:798]
{rank 0/64} MD step = 181600 step time: 00:00:00.343177 Performance: 41.381 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:01:19,149 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 60.229 -31935 6601.2 -38536 -38536 -5.6004 -9.9326 0.34873 3.1753e+05 2024-05-17 16:01:54,939 INFO [main.py:798]
{rank 0/64} MD step = 181700 step time: 00:00:00.351633 Performance: 41.382 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:02:01,513 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 59.77 -32122 6550.9 -38673 -38673 -5.6017 -9.937 0.34794 3.1768e+05 2024-05-17 16:02:35,933 INFO [main.py:798]
{rank 0/64} MD step = 181800 step time: 00:00:00.336513 Performance: 41.382 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:02:44,426 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 181800 36360 59.687 -31995 6541.7 -38537 -38537 -5.6009 -9.9417 0.34692 3.1789e+05 2024-05-17 16:03:19,154 INFO [main.py:798]
{rank 0/64} MD step = 181900 step time: 00:00:00.360520 Performance: 41.381 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:03:26,173 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 58.633 -32015 6426.3 -38441 -38441 -5.6015 -9.9475 0.34491 3.181e+05 2024-05-17 16:04:00,729 INFO [main.py:798]
{rank 0/64} MD step = 182000 step time: 00:00:00.343881 Performance: 41.382 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:04:06,130 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 182000 36400 60.498 -31860 6630.7 -38491 -38491 -5.6024 -9.9517 0.34627 3.1828e+05 2024-05-17 16:04:40,878 INFO [main.py:798]
{rank 0/64} MD step = 182100 step time: 00:00:00.381298 Performance: 41.382 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:04:46,497 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 182100 36420 60.91 -31898 6675.8 -38574 -38574 -5.6034 -9.955 0.34551 3.1842e+05 2024-05-17 16:05:21,394 INFO [main.py:798]
{rank 0/64} MD step = 182200 step time: 00:00:00.356043 Performance: 41.383 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:05:27,506 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 60.535 -31707 6634.8 -38342 -38342 -5.6048 -9.9617 0.34742 3.1863e+05 2024-05-17 16:06:02,568 INFO [main.py:798]
{rank 0/64} MD step = 182300 step time: 00:00:00.376515 Performance: 41.383 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:06:08,299 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 61.305 -31783 6719.1 -38502 -38502 -5.6073 -9.967 0.34878 3.1876e+05 2024-05-17 16:06:42,529 INFO [main.py:798]
{rank 0/64} MD step = 182400 step time: 00:00:00.368378 Performance: 41.384 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:06:48,031 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 182400 36480 59.687 -31936 6541.7 -38478 -38478 -5.6088 -9.9724 0.34676 3.1893e+05 2024-05-17 16:07:22,659 INFO [main.py:798]
{rank 0/64} MD step = 182500 step time: 00:00:00.337311 Performance: 41.385 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:07:28,123 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 182500 36500 60.345 -31740 6613.9 -38354 -38354 -5.61 -9.9787 0.34571 3.1913e+05 2024-05-17 16:08:03,170 INFO [main.py:798]
{rank 0/64} MD step = 182600 step time: 00:00:00.353207 Performance: 41.386 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:08:08,828 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 182600 36520 60.111 -31843 6588.3 -38432 -38432 -5.6116 -9.9856 0.34563 3.1932e+05 2024-05-17 16:08:43,541 INFO [main.py:798]
{rank 0/64} MD step = 182700 step time: 00:00:00.353882 Performance: 41.387 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:08:47,670 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 60.504 -31974 6631.3 -38605 -38605 -5.6149 -9.9913 0.34559 3.1947e+05 2024-05-17 16:09:24,025 INFO [main.py:798]
{rank 0/64} MD step = 182800 step time: 00:00:00.339393 Performance: 41.387 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:09:30,009 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 182800 36560 60.343 -31923 6613.6 -38536 -38536 -5.6164 -9.9965 0.34507 3.1963e+05 2024-05-17 16:10:04,492 INFO [main.py:798]
{rank 0/64} MD step = 182900 step time: 00:00:00.354288 Performance: 41.388 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:10:11,582 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 60.25 -31817 6603.5 -38421 -38421 -5.6166 -10.002 0.34467 3.1983e+05 2024-05-17 16:10:46,439 INFO [main.py:798]
{rank 0/64} MD step = 183000 step time: 00:00:00.346948 Performance: 41.388 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:10:51,596 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183000 36600 60.157 -31858 6593.3 -38452 -38452 -5.6157 -10.006 0.34404 3.2002e+05 2024-05-17 16:11:26,937 INFO [main.py:798]
{rank 0/64} MD step = 183100 step time: 00:00:00.356593 Performance: 41.389 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:11:32,043 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183100 36620 60.15 -31917 6592.5 -38509 -38509 -5.619 -10.011 0.34158 3.2019e+05 2024-05-17 16:12:07,013 INFO [main.py:798]
{rank 0/64} MD step = 183200 step time: 00:00:00.349304 Performance: 41.390 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:12:12,350 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 60.111 -31931 6588.2 -38519 -38519 -5.6215 -10.015 0.34067 3.2037e+05 2024-05-17 16:12:46,261 INFO [main.py:798]
{rank 0/64} MD step = 183300 step time: 00:00:00.337187 Performance: 41.391 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:12:55,751 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183300 36660 59.579 -32023 6530 -38553 -38553 -5.6242 -10.02 0.34135 3.2053e+05 2024-05-17 16:13:30,280 INFO [main.py:798]
{rank 0/64} MD step = 183400 step time: 00:00:00.340722 Performance: 41.390 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:13:36,386 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183400 36680 60.633 -31832 6645.5 -38478 -38478 -5.6258 -10.025 0.34032 3.2071e+05 2024-05-17 16:14:12,451 INFO [main.py:798]
{rank 0/64} MD step = 183500 step time: 00:00:00.372911 Performance: 41.389 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:14:18,306 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183500 36700 60.309 -31779 6610 -38389 -38389 -5.6264 -10.029 0.33952 3.2089e+05 2024-05-17 16:14:54,000 INFO [main.py:798]
{rank 0/64} MD step = 183600 step time: 00:00:00.366988 Performance: 41.390 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:14:59,671 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 58.966 -32194 6462.8 -38657 -38657 -5.6275 -10.033 0.33963 3.2106e+05 2024-05-17 16:15:39,266 INFO [main.py:798]
{rank 0/64} MD step = 183700 step time: 00:00:00.369076 Performance: 41.388 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:15:44,702 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 60.899 -31874 6674.6 -38549 -38549 -5.6265 -10.039 0.33878 3.2123e+05 2024-05-17 16:16:19,513 INFO [main.py:798]
{rank 0/64} MD step = 183800 step time: 00:00:00.367694 Performance: 41.388 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:16:24,985 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183800 36760 60.289 -31916 6607.7 -38524 -38524 -5.6253 -10.045 0.33861 3.2144e+05 2024-05-17 16:16:59,648 INFO [main.py:798]
{rank 0/64} MD step = 183900 step time: 00:00:00.358720 Performance: 41.389 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:17:04,773 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183900 36780 59.436 -32005 6514.2 -38519 -38519 -5.6259 -10.049 0.33817 3.2162e+05 2024-05-17 16:17:38,868 INFO [main.py:798]
{rank 0/64} MD step = 184000 step time: 00:00:00.350282 Performance: 41.391 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:17:45,357 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184000 36800 59.987 -32003 6574.6 -38578 -38578 -5.6266 -10.055 0.33775 3.2179e+05 2024-05-17 16:18:21,092 INFO [main.py:798]
{rank 0/64} MD step = 184100 step time: 00:00:00.366332 Performance: 41.390 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:18:27,718 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184100 36820 60.74 -31826 6657.2 -38483 -38483 -5.6298 -10.06 0.33732 3.22e+05 2024-05-17 16:19:02,149 INFO [main.py:798]
{rank 0/64} MD step = 184200 step time: 00:00:00.347489 Performance: 41.391 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:19:08,854 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184200 36840 60.118 -31757 6589 -38345 -38345 -5.6325 -10.065 0.33741 3.2219e+05 2024-05-17 16:19:44,318 INFO [main.py:798]
{rank 0/64} MD step = 184300 step time: 00:00:00.371338 Performance: 41.391 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:19:50,535 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184300 36860 60.822 -31820 6666.1 -38486 -38486 -5.6345 -10.071 0.33663 3.2235e+05 2024-05-17 16:20:25,296 INFO [main.py:798]
{rank 0/64} MD step = 184400 step time: 00:00:00.369206 Performance: 41.391 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:20:29,407 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184400 36880 60.111 -31832 6588.2 -38420 -38420 -5.6357 -10.077 0.33507 3.2252e+05 2024-05-17 16:21:05,034 INFO [main.py:798]
{rank 0/64} MD step = 184500 step time: 00:00:00.337558 Performance: 41.392 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:21:10,427 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184500 36900 60.519 -31833 6632.9 -38466 -38466 -5.6365 -10.082 0.33587 3.227e+05 2024-05-17 16:21:47,975 INFO [main.py:798]
{rank 0/64} MD step = 184600 step time: 00:00:00.355002 Performance: 41.391 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:21:53,419 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184600 36920 60.044 -31932 6580.9 -38513 -38513 -5.6386 -10.087 0.3351 3.2287e+05 2024-05-17 16:22:27,926 INFO [main.py:798]
{rank 0/64} MD step = 184700 step time: 00:00:00.347630 Performance: 41.392 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:22:33,259 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184700 36940 60.236 -31751 6601.9 -38353 -38353 -5.6397 -10.093 0.33484 3.2308e+05 2024-05-17 16:23:08,726 INFO [main.py:798]
{rank 0/64} MD step = 184800 step time: 00:00:00.371356 Performance: 41.393 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:23:15,167 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184800 36960 59.961 -31996 6571.8 -38568 -38568 -5.64 -10.098 0.33494 3.2324e+05 2024-05-17 16:23:50,542 INFO [main.py:798]
{rank 0/64} MD step = 184900 step time: 00:00:00.348841 Performance: 41.393 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:23:57,221 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 60.002 -31753 6576.3 -38329 -38329 -5.6398 -10.104 0.33467 3.2347e+05 2024-05-17 16:24:32,028 INFO [main.py:798]
{rank 0/64} MD step = 185000 step time: 00:00:00.353052 Performance: 41.393 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:24:39,274 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 60.406 -31870 6620.6 -38491 -38491 -5.6406 -10.107 0.3347 3.2359e+05 2024-05-17 16:25:13,727 INFO [main.py:798]
{rank 0/64} MD step = 185100 step time: 00:00:00.351227 Performance: 41.393 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:25:19,573 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 185100 37020 59.846 -31852 6559.2 -38411 -38411 -5.644 -10.112 0.33295 3.2379e+05 2024-05-17 16:25:54,926 INFO [main.py:798]
{rank 0/64} MD step = 185200 step time: 00:00:00.375885 Performance: 41.393 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:26:00,895 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 59.596 -32009 6531.8 -38541 -38541 -5.6474 -10.117 0.33278 3.2393e+05 2024-05-17 16:26:35,469 INFO [main.py:798]
{rank 0/64} MD step = 185300 step time: 00:00:00.355569 Performance: 41.394 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:26:41,526 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 185300 37060 59.781 -31836 6552.1 -38389 -38389 -5.649 -10.122 0.33162 3.2413e+05 2024-05-17 16:27:16,822 INFO [main.py:798]
{rank 0/64} MD step = 185400 step time: 00:00:00.347243 Performance: 41.394 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:27:22,388 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 60.482 -31897 6628.9 -38526 -38526 -5.6506 -10.127 0.33049 3.2427e+05 2024-05-17 16:27:59,047 INFO [main.py:798]
{rank 0/64} MD step = 185500 step time: 00:00:00.369678 Performance: 41.394 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:28:07,255 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 185500 37100 59.063 -32108 6473.3 -38582 -38582 -5.6534 -10.132 0.32859 3.2446e+05 2024-05-17 16:28:42,325 INFO [main.py:798]
{rank 0/64} MD step = 185600 step time: 00:00:00.378409 Performance: 41.393 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:28:48,468 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 59.239 -32086 6492.7 -38579 -38579 -5.6571 -10.139 0.3281 3.2464e+05 2024-05-17 16:29:23,508 INFO [main.py:798]
{rank 0/64} MD step = 185700 step time: 00:00:00.348049 Performance: 41.393 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 16:29:28,732 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 185700 37140 60.859 -31960 6670.2 -38630 -38630 -5.6591 -10.143 0.32669 3.2483e+05 2024-05-17 16:30:03,246 INFO [main.py:798]
{rank 0/64} MD step = 185800 step time: 00:00:00.360359 Performance: 41.394 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 16:30:08,408 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 59.433 -31929 6513.9 -38443 -38443 -5.6583 -10.148 0.32636 3.2505e+05 2024-05-17 16:30:43,228 INFO [main.py:798]
{rank 0/64} MD step = 185900 step time: 00:00:00.356663 Performance: 41.395 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 16:30:49,020 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 185900 37180 59.229 -32004 6491.6 -38496 -38496 -5.6601 -10.153 0.32676 3.2519e+05 2024-05-17 16:31:23,617 INFO [main.py:798]
{rank 0/64} MD step = 186000 step time: 00:00:00.369715 Performance: 41.396 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 16:31:28,703 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 59.167 -32069 6484.7 -38554 -38554 -5.6599 -10.158 0.32649 3.2538e+05 2024-05-17 16:32:03,444 INFO [main.py:798]
{rank 0/64} MD step = 186100 step time: 00:00:00.345671 Performance: 41.397 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 16:32:08,746 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 186100 37220 60.662 -32000 6648.6 -38648 -38648 -5.6597 -10.162 0.32661 3.2553e+05 2024-05-17 16:32:43,611 INFO [main.py:798]
{rank 0/64} MD step = 186200 step time: 00:00:00.355925 Performance: 41.398 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 16:32:48,906 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 186200 37240 59.886 -31874 6563.6 -38437 -38437 -5.6606 -10.168 0.32747 3.2572e+05 2024-05-17 16:33:24,086 INFO [main.py:798]
{rank 0/64} MD step = 186300 step time: 00:00:00.372068 Performance: 41.399 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 16:33:29,881 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 186300 37260 60.445 -31862 6624.9 -38487 -38487 -5.6637 -10.173 0.32794 3.259e+05 2024-05-17 16:34:04,804 INFO [main.py:798]
{rank 0/64} MD step = 186400 step time: 00:00:00.346987 Performance: 41.399 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 16:34:10,700 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 60.288 -31925 6607.6 -38532 -38532 -5.6661 -10.178 0.3281 3.2608e+05 2024-05-17 16:34:45,073 INFO [main.py:798]
{rank 0/64} MD step = 186500 step time: 00:00:00.350344 Performance: 41.400 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 16:34:49,039 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 59.644 -31856 6537 -38393 -38393 -5.6682 -10.185 0.32806 3.2627e+05 2024-05-17 16:35:26,311 INFO [main.py:798]
{rank 0/64} MD step = 186600 step time: 00:00:00.378879 Performance: 41.400 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 16:35:31,199 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 186600 37320 59.322 -31965 6501.8 -38467 -38467 -5.6674 -10.19 0.32666 3.2643e+05 2024-05-17 16:36:05,874 INFO [main.py:798]
{rank 0/64} MD step = 186700 step time: 00:00:00.341076 Performance: 41.401 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 16:36:12,064 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 60.086 -31971 6585.5 -38557 -38557 -5.6672 -10.195 0.32467 3.2659e+05 2024-05-17 16:36:47,048 INFO [main.py:798]
{rank 0/64} MD step = 186800 step time: 00:00:00.334788 Performance: 41.402 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 16:36:51,381 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 60.47 -31842 6627.6 -38470 -38470 -5.669 -10.201 0.32611 3.2678e+05 2024-05-17 16:37:27,845 INFO [main.py:798]
{rank 0/64} MD step = 186900 step time: 00:00:00.355162 Performance: 41.402 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 16:37:33,007 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 186900 37380 59.216 -32007 6490.1 -38497 -38497 -5.6692 -10.207 0.3243 3.2696e+05 2024-05-17 16:38:07,529 INFO [main.py:798]
{rank 0/64} MD step = 187000 step time: 00:00:00.359060 Performance: 41.403 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 16:38:13,065 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187000 37400 59.913 -32015 6566.6 -38582 -38582 -5.6701 -10.211 0.32395 3.2712e+05 2024-05-17 16:38:46,840 INFO [main.py:798]
{rank 0/64} MD step = 187100 step time: 00:00:00.354525 Performance: 41.405 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 16:38:52,069 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 60.138 -31780 6591.2 -38371 -38371 -5.6704 -10.217 0.32234 3.2733e+05 2024-05-17 16:39:27,582 INFO [main.py:798]
{rank 0/64} MD step = 187200 step time: 00:00:00.354494 Performance: 41.405 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 16:39:32,421 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 60.544 -31778 6635.7 -38414 -38414 -5.6706 -10.224 0.3223 3.2748e+05 2024-05-17 16:40:06,874 INFO [main.py:798]
{rank 0/64} MD step = 187300 step time: 00:00:00.349011 Performance: 41.406 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 16:40:11,766 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 59.852 -31890 6559.9 -38449 -38449 -5.6715 -10.228 0.32177 3.2764e+05 2024-05-17 16:40:47,395 INFO [main.py:798]
{rank 0/64} MD step = 187400 step time: 00:00:00.368666 Performance: 41.407 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 16:40:52,254 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187400 37480 58.462 -32137 6407.5 -38544 -38544 -5.6734 -10.233 0.32236 3.278e+05 2024-05-17 16:41:26,500 INFO [main.py:798]
{rank 0/64} MD step = 187500 step time: 00:00:00.349878 Performance: 41.408 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 16:41:31,975 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187500 37500 60.816 -31840 6665.5 -38506 -38506 -5.674 -10.239 0.32177 3.2795e+05 2024-05-17 16:42:06,841 INFO [main.py:798]
{rank 0/64} MD step = 187600 step time: 00:00:00.359748 Performance: 41.409 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 16:42:11,691 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187600 37520 59.04 -32069 6470.8 -38540 -38540 -5.675 -10.243 0.32128 3.2811e+05 2024-05-17 16:42:46,364 INFO [main.py:798]
{rank 0/64} MD step = 187700 step time: 00:00:00.374467 Performance: 41.410 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 16:42:53,745 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187700 37540 59.831 -31831 6557.5 -38389 -38389 -5.6769 -10.247 0.31947 3.2829e+05 2024-05-17 16:43:28,696 INFO [main.py:798]
{rank 0/64} MD step = 187800 step time: 00:00:00.358472 Performance: 41.410 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 16:43:37,872 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187800 37560 60.641 -31769 6646.3 -38415 -38415 -5.6796 -10.252 0.31941 3.2846e+05 2024-05-17 16:44:11,714 INFO [main.py:798]
{rank 0/64} MD step = 187900 step time: 00:00:00.329393 Performance: 41.409 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 16:44:19,817 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 60.601 -31750 6641.9 -38392 -38392 -5.6824 -10.256 0.32011 3.2864e+05 2024-05-17 16:44:56,907 INFO [main.py:798]
{rank 0/64} MD step = 188000 step time: 00:00:00.372424 Performance: 41.408 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 16:45:04,321 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 188000 37600 59.797 -31873 6553.8 -38427 -38427 -5.6821 -10.262 0.31908 3.2876e+05 2024-05-17 16:45:39,779 INFO [main.py:798]
{rank 0/64} MD step = 188100 step time: 00:00:00.349114 Performance: 41.407 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 16:45:45,108 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 188100 37620 60.154 -31821 6592.9 -38414 -38414 -5.6814 -10.265 0.31835 3.2897e+05 2024-05-17 16:46:20,064 INFO [main.py:798]
{rank 0/64} MD step = 188200 step time: 00:00:00.377844 Performance: 41.408 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 16:46:25,516 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 60.103 -31959 6587.4 -38547 -38547 -5.6809 -10.271 0.31759 3.2911e+05 2024-05-17 16:47:00,160 INFO [main.py:798]
{rank 0/64} MD step = 188300 step time: 00:00:00.335934 Performance: 41.409 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 16:47:05,497 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 188300 37660 59.742 -32019 6547.8 -38567 -38567 -5.6803 -10.275 0.31701 3.2928e+05 2024-05-17 16:47:39,833 INFO [main.py:798]
{rank 0/64} MD step = 188400 step time: 00:00:00.343114 Performance: 41.410 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 16:47:45,052 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 60.402 -31890 6620.2 -38510 -38510 -5.6798 -10.28 0.31707 3.2948e+05 2024-05-17 16:48:19,052 INFO [main.py:798]
{rank 0/64} MD step = 188500 step time: 00:00:00.340390 Performance: 41.411 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 16:48:23,912 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 188500 37700 60.224 -31904 6600.6 -38504 -38504 -5.6826 -10.285 0.31663 3.2967e+05 2024-05-17 16:48:58,232 INFO [main.py:798]
{rank 0/64} MD step = 188600 step time: 00:00:00.349868 Performance: 41.412 ns/day 0.580 hours/ns 2.397 steps/s 2024-05-17 16:49:03,721 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 58.886 -32096 6453.9 -38550 -38550 -5.6847 -10.29 0.31675 3.2982e+05 2024-05-17 16:49:37,687 INFO [main.py:798]
{rank 0/64} MD step = 188700 step time: 00:00:00.360009 Performance: 41.413 ns/day 0.580 hours/ns 2.397 steps/s 2024-05-17 16:49:42,884 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 59.809 -31956 6555.1 -38511 -38511 -5.684 -10.295 0.31832 3.3e+05 2024-05-17 16:50:17,467 INFO [main.py:798]
{rank 0/64} MD step = 188800 step time: 00:00:00.343276 Performance: 41.414 ns/day 0.580 hours/ns 2.397 steps/s 2024-05-17 16:50:23,138 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 188800 37760 60.31 -31804 6610.1 -38415 -38415 -5.6858 -10.301 0.31533 3.3017e+05 2024-05-17 16:50:58,427 INFO [main.py:798]
{rank 0/64} MD step = 188900 step time: 00:00:00.405677 Performance: 41.415 ns/day 0.580 hours/ns 2.397 steps/s 2024-05-17 16:51:04,247 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 60.149 -32059 6592.4 -38651 -38651 -5.6891 -10.306 0.31381 3.3029e+05 2024-05-17 16:51:38,792 INFO [main.py:798]
{rank 0/64} MD step = 189000 step time: 00:00:00.339059 Performance: 41.416 ns/day 0.579 hours/ns 2.397 steps/s 2024-05-17 16:51:47,469 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189000 37800 59.449 -31896 6515.7 -38411 -38411 -5.6889 -10.31 0.31265 3.3049e+05 2024-05-17 16:52:21,604 INFO [main.py:798]
{rank 0/64} MD step = 189100 step time: 00:00:00.350925 Performance: 41.415 ns/day 0.579 hours/ns 2.397 steps/s 2024-05-17 16:52:29,113 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189100 37820 60.395 -31890 6619.3 -38509 -38509 -5.6905 -10.315 0.31135 3.3064e+05 2024-05-17 16:53:04,388 INFO [main.py:798]
{rank 0/64} MD step = 189200 step time: 00:00:00.350235 Performance: 41.414 ns/day 0.580 hours/ns 2.397 steps/s 2024-05-17 16:53:17,530 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189200 37840 60.335 -31860 6612.8 -38473 -38473 -5.6933 -10.32 0.3112 3.3085e+05 2024-05-17 16:53:52,476 INFO [main.py:798]
{rank 0/64} MD step = 189300 step time: 00:00:00.374763 Performance: 41.411 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 16:53:57,709 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 60.336 -31909 6612.9 -38522 -38522 -5.6941 -10.324 0.30954 3.3099e+05 2024-05-17 16:54:32,904 INFO [main.py:798]
{rank 0/64} MD step = 189400 step time: 00:00:00.348246 Performance: 41.412 ns/day 0.580 hours/ns 2.397 steps/s 2024-05-17 16:54:38,893 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189400 37880 59.966 -31843 6572.3 -38415 -38415 -5.6948 -10.33 0.30796 3.312e+05 2024-05-17 16:55:12,772 INFO [main.py:798]
{rank 0/64} MD step = 189500 step time: 00:00:00.332501 Performance: 41.413 ns/day 0.580 hours/ns 2.397 steps/s 2024-05-17 16:55:19,794 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 59.728 -31907 6546.3 -38454 -38454 -5.6967 -10.337 0.30825 3.3138e+05 2024-05-17 16:55:53,507 INFO [main.py:798]
{rank 0/64} MD step = 189600 step time: 00:00:00.335547 Performance: 41.413 ns/day 0.580 hours/ns 2.397 steps/s 2024-05-17 16:56:07,208 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 60.159 -31935 6593.5 -38529 -38529 -5.6979 -10.342 0.3092 3.3155e+05 2024-05-17 16:56:42,469 INFO [main.py:798]
{rank 0/64} MD step = 189700 step time: 00:00:00.371792 Performance: 41.410 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 16:56:49,718 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 60.691 -31813 6651.8 -38465 -38465 -5.6991 -10.347 0.3108 3.317e+05 2024-05-17 16:57:25,226 INFO [main.py:798]
{rank 0/64} MD step = 189800 step time: 00:00:00.379707 Performance: 41.409 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 16:57:32,469 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189800 37960 60.413 -31885 6621.3 -38506 -38506 -5.6977 -10.354 0.31101 3.3185e+05 2024-05-17 16:58:08,108 INFO [main.py:798]
{rank 0/64} MD step = 189900 step time: 00:00:00.346294 Performance: 41.408 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 16:58:12,941 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189900 37980 59.663 -31910 6539.2 -38450 -38450 -5.6983 -10.358 0.31093 3.3204e+05 2024-05-17 16:58:47,813 INFO [main.py:798]
{rank 0/64} MD step = 190000 step time: 00:00:00.353397 Performance: 41.409 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 16:58:53,493 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 190000 38000 60.472 -31817 6627.8 -38445 -38445 -5.7013 -10.362 0.31168 3.3224e+05 2024-05-17 16:59:27,315 INFO [main.py:798]
{rank 0/64} MD step = 190100 step time: 00:00:00.337087 Performance: 41.411 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 16:59:34,491 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 190100 38020 60.684 -31906 6651.1 -38557 -38557 -5.704 -10.368 0.3113 3.3241e+05 2024-05-17 17:00:09,414 INFO [main.py:798]
{rank 0/64} MD step = 190200 step time: 00:00:00.351735 Performance: 41.410 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 17:00:15,154 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 190200 38040 59.779 -31911 6551.8 -38463 -38463 -5.7072 -10.373 0.31152 3.326e+05 2024-05-17 17:00:49,608 INFO [main.py:798]
{rank 0/64} MD step = 190300 step time: 00:00:00.354359 Performance: 41.411 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 17:00:55,505 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 60.781 -31797 6661.6 -38458 -38458 -5.7102 -10.378 0.31202 3.3279e+05 2024-05-17 17:01:31,061 INFO [main.py:798]
{rank 0/64} MD step = 190400 step time: 00:00:00.372465 Performance: 41.411 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 17:01:37,845 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 59.477 -31863 6518.7 -38382 -38382 -5.714 -10.384 0.3124 3.3295e+05 2024-05-17 17:02:12,621 INFO [main.py:798]
{rank 0/64} MD step = 190500 step time: 00:00:00.354248 Performance: 41.411 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 17:02:26,496 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 190500 38100 59.634 -31999 6535.9 -38535 -38535 -5.7161 -10.388 0.31244 3.3309e+05 2024-05-17 17:03:01,876 INFO [main.py:798]
{rank 0/64} MD step = 190600 step time: 00:00:00.353510 Performance: 41.408 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 17:03:18,496 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 190600 38120 59.304 -31928 6499.7 -38427 -38427 -5.7185 -10.394 0.3116 3.3329e+05 2024-05-17 17:03:51,916 INFO [main.py:798]
{rank 0/64} MD step = 190700 step time: 00:00:00.351804 Performance: 41.403 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 17:04:01,950 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 60.665 -31854 6648.9 -38503 -38503 -5.7201 -10.401 0.31156 3.3346e+05 2024-05-17 17:04:36,953 INFO [main.py:798]
{rank 0/64} MD step = 190800 step time: 00:00:00.346263 Performance: 41.401 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 17:04:54,526 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 190800 38160 60.266 -31805 6605.2 -38410 -38410 -5.7208 -10.405 0.31126 3.3366e+05 2024-05-17 17:05:29,978 INFO [main.py:798]
{rank 0/64} MD step = 190900 step time: 00:00:00.368628 Performance: 41.396 ns/day 0.580 hours/ns 2.396 steps/s 2024-05-17 17:05:43,908 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 59.775 -32022 6551.4 -38574 -38574 -5.7231 -10.41 0.31196 3.3381e+05 2024-05-17 17:06:22,489 INFO [main.py:798]
{rank 0/64} MD step = 191000 step time: 00:00:00.339887 Performance: 41.390 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 17:06:37,452 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 60.847 -31681 6668.9 -38350 -38350 -5.7257 -10.416 0.31167 3.3402e+05 2024-05-17 17:07:11,849 INFO [main.py:798]
{rank 0/64} MD step = 191100 step time: 00:00:00.354310 Performance: 41.386 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 17:07:27,275 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191100 38220 59.957 -31990 6571.4 -38561 -38561 -5.7258 -10.421 0.31154 3.3418e+05 2024-05-17 17:08:02,222 INFO [main.py:798]
{rank 0/64} MD step = 191200 step time: 00:00:00.346386 Performance: 41.382 ns/day 0.580 hours/ns 2.395 steps/s 2024-05-17 17:08:23,241 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 59.769 -31899 6550.7 -38450 -38450 -5.7275 -10.427 0.31193 3.3437e+05 2024-05-17 17:08:58,066 INFO [main.py:798]
{rank 0/64} MD step = 191300 step time: 00:00:00.338976 Performance: 41.374 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 17:09:12,867 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 58.973 -32072 6463.6 -38535 -38535 -5.7282 -10.431 0.31092 3.3452e+05 2024-05-17 17:09:55,125 INFO [main.py:798]
{rank 0/64} MD step = 191400 step time: 00:00:00.338252 Performance: 41.366 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 17:10:05,650 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 60 -31762 6576.1 -38338 -38338 -5.7297 -10.437 0.31065 3.3471e+05 2024-05-17 17:10:40,335 INFO [main.py:798]
{rank 0/64} MD step = 191500 step time: 00:00:00.380752 Performance: 41.365 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 17:10:54,286 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191500 38300 59.288 -32059 6498.1 -38557 -38557 -5.7313 -10.444 0.31076 3.3487e+05 2024-05-17 17:11:29,300 INFO [main.py:798]
{rank 0/64} MD step = 191600 step time: 00:00:00.373113 Performance: 41.361 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 17:11:45,605 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191600 38320 60.246 -31874 6603 -38477 -38477 -5.7316 -10.45 0.3112 3.3507e+05 2024-05-17 17:12:20,406 INFO [main.py:798]
{rank 0/64} MD step = 191700 step time: 00:00:00.372846 Performance: 41.356 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 17:12:39,310 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191700 38340 59.365 -31994 6506.5 -38501 -38501 -5.7351 -10.456 0.31137 3.3525e+05 2024-05-17 17:13:13,674 INFO [main.py:798]
{rank 0/64} MD step = 191800 step time: 00:00:00.347836 Performance: 41.350 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 17:13:25,921 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191800 38360 59.804 -31825 6554.6 -38379 -38379 -5.7373 -10.462 0.31033 3.3544e+05 2024-05-17 17:14:05,636 INFO [main.py:798]
{rank 0/64} MD step = 191900 step time: 00:00:00.352813 Performance: 41.345 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 17:14:19,738 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191900 38380 60.229 -31988 6601.2 -38589 -38589 -5.7402 -10.466 0.3104 3.3556e+05 2024-05-17 17:14:54,404 INFO [main.py:798]
{rank 0/64} MD step = 192000 step time: 00:00:00.354199 Performance: 41.341 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 17:15:06,391 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 192000 38400 59.755 -31944 6549.2 -38493 -38493 -5.7434 -10.471 0.31044 3.3574e+05 2024-05-17 17:15:45,414 INFO [main.py:798]
{rank 0/64} MD step = 192100 step time: 00:00:00.356677 Performance: 41.337 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 17:15:57,878 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 59.587 -31972 6530.8 -38503 -38503 -5.7438 -10.476 0.30912 3.3593e+05 2024-05-17 17:16:33,835 INFO [main.py:798]
{rank 0/64} MD step = 192200 step time: 00:00:00.377613 Performance: 41.333 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 17:16:50,887 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 60.47 -31804 6627.6 -38432 -38432 -5.7441 -10.481 0.30934 3.3611e+05 2024-05-17 17:17:25,340 INFO [main.py:798]
{rank 0/64} MD step = 192300 step time: 00:00:00.336571 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 17:17:43,801 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 59.832 -31895 6557.6 -38453 -38453 -5.7442 -10.487 0.30876 3.363e+05 2024-05-17 17:18:18,912 INFO [main.py:798]
{rank 0/64} MD step = 192400 step time: 00:00:00.376711 Performance: 41.322 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 17:18:41,507 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 60.731 -31860 6656.1 -38516 -38516 -5.7455 -10.492 0.30649 3.3646e+05 2024-05-17 17:19:14,600 INFO [main.py:798]
{rank 0/64} MD step = 192500 step time: 00:00:00.350736 Performance: 41.315 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 17:19:30,240 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 60.678 -31799 6650.4 -38449 -38449 -5.7462 -10.498 0.30539 3.3665e+05 2024-05-17 17:20:04,932 INFO [main.py:798]
{rank 0/64} MD step = 192600 step time: 00:00:00.360236 Performance: 41.311 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 17:20:20,722 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 60.698 -31750 6652.6 -38403 -38403 -5.7491 -10.503 0.30451 3.3682e+05 2024-05-17 17:20:55,355 INFO [main.py:798]
{rank 0/64} MD step = 192700 step time: 00:00:00.337299 Performance: 41.306 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:21:13,859 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 60.498 -31813 6630.7 -38444 -38444 -5.7512 -10.508 0.30531 3.37e+05 2024-05-17 17:21:48,987 INFO [main.py:798]
{rank 0/64} MD step = 192800 step time: 00:00:00.331502 Performance: 41.300 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:22:02,300 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 192800 38560 59.08 -31996 6475.2 -38471 -38471 -5.752 -10.513 0.30505 3.3713e+05 2024-05-17 17:22:36,808 INFO [main.py:798]
{rank 0/64} MD step = 192900 step time: 00:00:00.359266 Performance: 41.297 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:22:50,614 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 59.67 -31990 6540 -38530 -38530 -5.7525 -10.519 0.30633 3.3728e+05 2024-05-17 17:23:26,614 INFO [main.py:798]
{rank 0/64} MD step = 193000 step time: 00:00:00.361213 Performance: 41.293 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:23:34,265 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193000 38600 60.544 -31843 6635.7 -38479 -38479 -5.7536 -10.522 0.30674 3.3747e+05 2024-05-17 17:24:09,125 INFO [main.py:798]
{rank 0/64} MD step = 193100 step time: 00:00:00.352556 Performance: 41.293 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:24:16,392 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193100 38620 60.251 -31845 6603.6 -38449 -38449 -5.7555 -10.527 0.3075 3.3763e+05 2024-05-17 17:24:51,004 INFO [main.py:798]
{rank 0/64} MD step = 193200 step time: 00:00:00.351596 Performance: 41.293 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:24:58,747 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193200 38640 60.373 -31644 6617 -38261 -38261 -5.7565 -10.531 0.30789 3.3783e+05 2024-05-17 17:25:34,043 INFO [main.py:798]
{rank 0/64} MD step = 193300 step time: 00:00:00.370932 Performance: 41.292 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:25:39,778 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 60.2 -31813 6598 -38411 -38411 -5.758 -10.535 0.30862 3.38e+05 2024-05-17 17:26:14,542 INFO [main.py:798]
{rank 0/64} MD step = 193400 step time: 00:00:00.372364 Performance: 41.293 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:26:20,397 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193400 38680 59.458 -31828 6516.7 -38344 -38344 -5.7587 -10.541 0.30836 3.3819e+05 2024-05-17 17:26:54,916 INFO [main.py:798]
{rank 0/64} MD step = 193500 step time: 00:00:00.346412 Performance: 41.294 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:27:00,422 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193500 38700 59.284 -32003 6497.6 -38501 -38501 -5.7576 -10.547 0.30756 3.3835e+05 2024-05-17 17:27:35,570 INFO [main.py:798]
{rank 0/64} MD step = 193600 step time: 00:00:00.342187 Performance: 41.294 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:27:41,128 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193600 38720 59.505 -32021 6521.8 -38543 -38543 -5.7603 -10.553 0.30771 3.385e+05 2024-05-17 17:28:15,592 INFO [main.py:798]
{rank 0/64} MD step = 193700 step time: 00:00:00.349804 Performance: 41.295 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:28:19,702 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193700 38740 59.882 -32009 6563.1 -38572 -38572 -5.7604 -10.558 0.3072 3.3868e+05 2024-05-17 17:28:55,617 INFO [main.py:798]
{rank 0/64} MD step = 193800 step time: 00:00:00.355341 Performance: 41.296 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:29:01,234 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193800 38760 59.472 -32047 6518.2 -38566 -38566 -5.7606 -10.564 0.30752 3.3887e+05 2024-05-17 17:29:35,365 INFO [main.py:798]
{rank 0/64} MD step = 193900 step time: 00:00:00.353868 Performance: 41.297 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:29:40,616 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 59.556 -31909 6527.4 -38437 -38437 -5.7609 -10.569 0.30602 3.3905e+05 2024-05-17 17:30:15,446 INFO [main.py:798]
{rank 0/64} MD step = 194000 step time: 00:00:00.387601 Performance: 41.298 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:30:23,541 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 194000 38800 60.451 -31816 6625.5 -38442 -38442 -5.7616 -10.575 0.30574 3.392e+05 2024-05-17 17:30:58,043 INFO [main.py:798]
{rank 0/64} MD step = 194100 step time: 00:00:00.357539 Performance: 41.298 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:31:04,498 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 59.582 -31875 6530.3 -38406 -38406 -5.7617 -10.582 0.30773 3.3938e+05 2024-05-17 17:31:40,965 INFO [main.py:798]
{rank 0/64} MD step = 194200 step time: 00:00:00.353753 Performance: 41.297 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:31:46,521 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 194200 38840 60.899 -31733 6674.6 -38408 -38408 -5.7608 -10.587 0.30766 3.3958e+05 2024-05-17 17:32:20,377 INFO [main.py:798]
{rank 0/64} MD step = 194300 step time: 00:00:00.335066 Performance: 41.298 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:32:27,375 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 194300 38860 59.797 -31977 6553.8 -38531 -38531 -5.7585 -10.591 0.30577 3.3974e+05 2024-05-17 17:33:01,640 INFO [main.py:798]
{rank 0/64} MD step = 194400 step time: 00:00:00.341356 Performance: 41.299 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:33:08,380 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 194400 38880 59.559 -31913 6527.8 -38441 -38441 -5.7584 -10.596 0.30543 3.399e+05 2024-05-17 17:33:43,698 INFO [main.py:798]
{rank 0/64} MD step = 194500 step time: 00:00:00.340992 Performance: 41.298 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:33:51,249 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 59.852 -31852 6559.9 -38412 -38412 -5.7593 -10.601 0.30521 3.401e+05 2024-05-17 17:34:27,517 INFO [main.py:798]
{rank 0/64} MD step = 194600 step time: 00:00:00.353261 Performance: 41.297 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:34:37,025 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 194600 38920 59.981 -32008 6574 -38582 -38582 -5.7608 -10.606 0.30323 3.4026e+05 2024-05-17 17:35:11,550 INFO [main.py:798]
{rank 0/64} MD step = 194700 step time: 00:00:00.353980 Performance: 41.296 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:35:19,763 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 60.343 -31710 6613.7 -38323 -38323 -5.7634 -10.61 0.30556 3.405e+05 2024-05-17 17:35:54,381 INFO [main.py:798]
{rank 0/64} MD step = 194800 step time: 00:00:00.342406 Performance: 41.296 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:36:10,384 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 61.179 -31726 6705.3 -38431 -38431 -5.7643 -10.615 0.30446 3.4065e+05 2024-05-17 17:36:45,660 INFO [main.py:798]
{rank 0/64} MD step = 194900 step time: 00:00:00.378522 Performance: 41.291 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:36:53,643 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 59.538 -31939 6525.4 -38464 -38464 -5.7647 -10.621 0.30526 3.4084e+05 2024-05-17 17:37:28,885 INFO [main.py:798]
{rank 0/64} MD step = 195000 step time: 00:00:00.380854 Performance: 41.290 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 17:37:38,171 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 59.009 -31922 6467.5 -38390 -38390 -5.7639 -10.626 0.30566 3.4104e+05 2024-05-17 17:38:12,984 INFO [main.py:798]
{rank 0/64} MD step = 195100 step time: 00:00:00.365657 Performance: 41.289 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 17:38:21,889 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 195100 39020 60.547 -31897 6636.1 -38533 -38533 -5.7634 -10.632 0.30545 3.4119e+05 2024-05-17 17:38:56,426 INFO [main.py:798]
{rank 0/64} MD step = 195200 step time: 00:00:00.350660 Performance: 41.288 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 17:39:02,121 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 195200 39040 59.632 -31907 6535.8 -38443 -38443 -5.7611 -10.635 0.30628 3.4135e+05 2024-05-17 17:39:36,775 INFO [main.py:798]
{rank 0/64} MD step = 195300 step time: 00:00:00.357932 Performance: 41.289 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 17:39:42,102 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 195300 39060 59.246 -31972 6493.5 -38466 -38466 -5.7586 -10.641 0.30534 3.4153e+05 2024-05-17 17:40:16,635 INFO [main.py:798]
{rank 0/64} MD step = 195400 step time: 00:00:00.370004 Performance: 41.290 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-17 17:40:21,949 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 59.883 -31864 6563.2 -38427 -38427 -5.7588 -10.646 0.30682 3.4171e+05 2024-05-17 17:40:56,314 INFO [main.py:798]
{rank 0/64} MD step = 195500 step time: 00:00:00.348107 Performance: 41.291 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:41:01,275 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 60.082 -31950 6585.1 -38535 -38535 -5.7605 -10.65 0.30708 3.419e+05 2024-05-17 17:41:36,305 INFO [main.py:798]
{rank 0/64} MD step = 195600 step time: 00:00:00.379567 Performance: 41.292 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:41:40,980 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 195600 39120 60.022 -31900 6578.5 -38479 -38479 -5.7604 -10.655 0.30743 3.4208e+05 2024-05-17 17:42:15,347 INFO [main.py:798]
{rank 0/64} MD step = 195700 step time: 00:00:00.353748 Performance: 41.294 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:42:21,273 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 60.921 -31658 6677.1 -38335 -38335 -5.7605 -10.659 0.30634 3.4229e+05 2024-05-17 17:42:55,868 INFO [main.py:798]
{rank 0/64} MD step = 195800 step time: 00:00:00.339120 Performance: 41.294 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:43:05,606 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 195800 39160 60.407 -31686 6620.7 -38307 -38307 -5.7614 -10.663 0.30644 3.4244e+05 2024-05-17 17:43:39,733 INFO [main.py:798]
{rank 0/64} MD step = 195900 step time: 00:00:00.358551 Performance: 41.293 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:43:44,572 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 195900 39180 60.362 -31911 6615.7 -38527 -38527 -5.7603 -10.669 0.30448 3.4258e+05 2024-05-17 17:44:20,275 INFO [main.py:798]
{rank 0/64} MD step = 196000 step time: 00:00:00.352899 Performance: 41.294 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:44:26,948 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 196000 39200 60.442 -31910 6624.5 -38534 -38534 -5.7588 -10.674 0.30459 3.4271e+05 2024-05-17 17:45:02,075 INFO [main.py:798]
{rank 0/64} MD step = 196100 step time: 00:00:00.370955 Performance: 41.294 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:45:07,749 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 60.833 -31915 6667.3 -38583 -38583 -5.757 -10.678 0.30552 3.4291e+05 2024-05-17 17:45:42,528 INFO [main.py:798]
{rank 0/64} MD step = 196200 step time: 00:00:00.335243 Performance: 41.295 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:45:49,367 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 60.075 -31694 6584.3 -38278 -38278 -5.7574 -10.683 0.30611 3.4313e+05 2024-05-17 17:46:26,351 INFO [main.py:798]
{rank 0/64} MD step = 196300 step time: 00:00:00.375681 Performance: 41.294 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:46:33,692 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 196300 39260 60.769 -31705 6660.3 -38365 -38365 -5.7583 -10.689 0.3067 3.4331e+05 2024-05-17 17:47:08,272 INFO [main.py:798]
{rank 0/64} MD step = 196400 step time: 00:00:00.351058 Performance: 41.294 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:47:14,596 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 196400 39280 59.552 -32031 6527 -38558 -38558 -5.7612 -10.694 0.30785 3.4346e+05 2024-05-17 17:47:50,812 INFO [main.py:798]
{rank 0/64} MD step = 196500 step time: 00:00:00.381149 Performance: 41.293 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:47:56,524 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 196500 39300 59.686 -32083 6541.7 -38625 -38625 -5.7627 -10.7 0.30718 3.4362e+05 2024-05-17 17:48:31,528 INFO [main.py:798]
{rank 0/64} MD step = 196600 step time: 00:00:00.350574 Performance: 41.294 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:48:38,134 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 196600 39320 60.306 -31920 6609.6 -38529 -38529 -5.7648 -10.706 0.30657 3.4379e+05 2024-05-17 17:49:13,089 INFO [main.py:798]
{rank 0/64} MD step = 196700 step time: 00:00:00.354217 Performance: 41.294 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:49:18,312 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 59.731 -31947 6546.6 -38493 -38493 -5.7671 -10.711 0.30672 3.44e+05 2024-05-17 17:49:53,300 INFO [main.py:798]
{rank 0/64} MD step = 196800 step time: 00:00:00.360244 Performance: 41.295 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:49:58,776 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 196800 39360 60.259 -31842 6604.5 -38446 -38446 -5.767 -10.716 0.30619 3.4417e+05 2024-05-17 17:50:33,704 INFO [main.py:798]
{rank 0/64} MD step = 196900 step time: 00:00:00.362647 Performance: 41.296 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:50:39,326 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 196900 39380 59.736 -32026 6547.2 -38573 -38573 -5.7667 -10.723 0.30638 3.4431e+05 2024-05-17 17:51:13,891 INFO [main.py:798]
{rank 0/64} MD step = 197000 step time: 00:00:00.341639 Performance: 41.296 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:51:19,127 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 59.09 -32015 6476.3 -38491 -38491 -5.7644 -10.729 0.30756 3.445e+05 2024-05-17 17:51:53,424 INFO [main.py:798]
{rank 0/64} MD step = 197100 step time: 00:00:00.339579 Performance: 41.298 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:51:59,075 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197100 39420 60.217 -31865 6599.9 -38465 -38465 -5.763 -10.733 0.30734 3.4468e+05 2024-05-17 17:52:33,591 INFO [main.py:798]
{rank 0/64} MD step = 197200 step time: 00:00:00.336446 Performance: 41.298 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:52:41,210 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 61.092 -31666 6695.8 -38361 -38361 -5.7628 -10.737 0.30786 3.449e+05 2024-05-17 17:53:16,831 INFO [main.py:798]
{rank 0/64} MD step = 197300 step time: 00:00:00.385206 Performance: 41.298 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:53:24,622 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 59.79 -31933 6553.1 -38486 -38486 -5.7619 -10.743 0.30855 3.4505e+05 2024-05-17 17:53:59,049 INFO [main.py:798]
{rank 0/64} MD step = 197400 step time: 00:00:00.340878 Performance: 41.298 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:54:05,422 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197400 39480 59.83 -31946 6557.4 -38504 -38504 -5.7605 -10.749 0.30737 3.4521e+05 2024-05-17 17:54:38,801 INFO [main.py:798]
{rank 0/64} MD step = 197500 step time: 00:00:00.331930 Performance: 41.299 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:54:43,670 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 60.621 -31917 6644.2 -38562 -38562 -5.7584 -10.754 0.30794 3.4539e+05 2024-05-17 17:55:21,920 INFO [main.py:798]
{rank 0/64} MD step = 197600 step time: 00:00:00.327557 Performance: 41.298 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:55:27,279 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197600 39520 61.375 -31801 6726.7 -38528 -38528 -5.7546 -10.76 0.30743 3.4556e+05 2024-05-17 17:56:01,850 INFO [main.py:798]
{rank 0/64} MD step = 197700 step time: 00:00:00.327981 Performance: 41.299 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:56:07,100 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197700 39540 59.573 -31862 6529.3 -38392 -38392 -5.7534 -10.768 0.30695 3.4575e+05 2024-05-17 17:56:41,629 INFO [main.py:798]
{rank 0/64} MD step = 197800 step time: 00:00:00.332304 Performance: 41.300 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:56:47,009 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197800 39560 60.395 -31844 6619.4 -38464 -38464 -5.7512 -10.773 0.30725 3.4589e+05 2024-05-17 17:57:21,850 INFO [main.py:798]
{rank 0/64} MD step = 197900 step time: 00:00:00.327868 Performance: 41.301 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:57:26,649 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 60.31 -31863 6610 -38473 -38473 -5.752 -10.778 0.30827 3.4607e+05 2024-05-17 17:58:01,943 INFO [main.py:798]
{rank 0/64} MD step = 198000 step time: 00:00:00.328313 Performance: 41.302 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:58:07,065 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 198000 39600 59.558 -31749 6527.7 -38276 -38276 -5.7528 -10.784 0.30947 3.4627e+05 2024-05-17 17:58:42,298 INFO [main.py:798]
{rank 0/64} MD step = 198100 step time: 00:00:00.334214 Performance: 41.302 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:58:47,290 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 60.93 -31732 6678 -38410 -38410 -5.7509 -10.788 0.30983 3.4643e+05 2024-05-17 17:59:23,564 INFO [main.py:798]
{rank 0/64} MD step = 198200 step time: 00:00:00.338560 Performance: 41.303 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 17:59:29,513 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 60.679 -31856 6650.5 -38506 -38506 -5.7484 -10.793 0.30974 3.4658e+05 2024-05-17 18:00:04,455 INFO [main.py:798]
{rank 0/64} MD step = 198300 step time: 00:00:00.328628 Performance: 41.303 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 18:00:12,329 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 198300 39660 59.943 -31970 6569.8 -38540 -38540 -5.7465 -10.797 0.31071 3.4674e+05 2024-05-17 18:00:48,323 INFO [main.py:798]
{rank 0/64} MD step = 198400 step time: 00:00:00.333414 Performance: 41.302 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 18:00:52,873 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 198400 39680 59.58 -31942 6530 -38472 -38472 -5.7433 -10.803 0.31046 3.4693e+05 2024-05-17 18:01:29,504 INFO [main.py:798]
{rank 0/64} MD step = 198500 step time: 00:00:00.359127 Performance: 41.302 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 18:01:36,539 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 198500 39700 60.278 -31814 6606.6 -38420 -38420 -5.7405 -10.807 0.31179 3.471e+05 2024-05-17 18:02:10,547 INFO [main.py:798]
{rank 0/64} MD step = 198600 step time: 00:00:00.326446 Performance: 41.303 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 18:02:23,343 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 198600 39720 60.28 -31812 6606.8 -38419 -38419 -5.7383 -10.812 0.31063 3.4726e+05 2024-05-17 18:02:58,497 INFO [main.py:798]
{rank 0/64} MD step = 198700 step time: 00:00:00.344312 Performance: 41.300 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 18:03:03,894 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 198700 39740 60.298 -31787 6608.8 -38396 -38396 -5.7387 -10.82 0.31007 3.4743e+05 2024-05-17 18:03:38,623 INFO [main.py:798]
{rank 0/64} MD step = 198800 step time: 00:00:00.357544 Performance: 41.301 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 18:03:44,377 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 59.837 -31892 6558.2 -38450 -38450 -5.736 -10.825 0.31053 3.4759e+05 2024-05-17 18:04:18,875 INFO [main.py:798]
{rank 0/64} MD step = 198900 step time: 00:00:00.347169 Performance: 41.301 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 18:04:24,124 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 59.617 -31951 6534.1 -38485 -38485 -5.7334 -10.831 0.31055 3.4773e+05 2024-05-17 18:04:59,582 INFO [main.py:798]
{rank 0/64} MD step = 199000 step time: 00:00:00.359912 Performance: 41.302 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 18:05:03,674 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 59.894 -31943 6564.5 -38507 -38507 -5.7314 -10.837 0.30862 3.4791e+05 2024-05-17 18:05:39,951 INFO [main.py:798]
{rank 0/64} MD step = 199100 step time: 00:00:00.351889 Performance: 41.303 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 18:05:45,149 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199100 39820 60.064 -31892 6583.1 -38475 -38475 -5.7302 -10.843 0.30859 3.481e+05 2024-05-17 18:06:19,505 INFO [main.py:798]
{rank 0/64} MD step = 199200 step time: 00:00:00.343195 Performance: 41.304 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 18:06:24,396 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199200 39840 60.519 -31805 6633 -38438 -38438 -5.728 -10.847 0.30745 3.4828e+05 2024-05-17 18:06:58,924 INFO [main.py:798]
{rank 0/64} MD step = 199300 step time: 00:00:00.339394 Performance: 41.305 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 18:07:03,495 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 59.609 -31920 6533.2 -38453 -38453 -5.7258 -10.851 0.30772 3.4846e+05 2024-05-17 18:07:38,325 INFO [main.py:798]
{rank 0/64} MD step = 199400 step time: 00:00:00.349863 Performance: 41.306 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 18:07:43,604 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199400 39880 60.826 -31789 6666.6 -38456 -38456 -5.7239 -10.855 0.30825 3.4866e+05 2024-05-17 18:08:18,545 INFO [main.py:798]
{rank 0/64} MD step = 199500 step time: 00:00:00.346280 Performance: 41.307 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 18:08:24,433 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199500 39900 60.619 -31924 6644 -38568 -38568 -5.7242 -10.861 0.30811 3.4881e+05 2024-05-17 18:08:59,244 INFO [main.py:798]
{rank 0/64} MD step = 199600 step time: 00:00:00.340983 Performance: 41.308 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 18:09:07,463 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 59.607 -32075 6533 -38608 -38608 -5.721 -10.867 0.30809 3.49e+05 2024-05-17 18:09:41,752 INFO [main.py:798]
{rank 0/64} MD step = 199700 step time: 00:00:00.334286 Performance: 41.307 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 18:09:48,083 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199700 39940 60.05 -31908 6581.6 -38490 -38490 -5.719 -10.872 0.30769 3.4918e+05 2024-05-17 18:10:24,819 INFO [main.py:798]
{rank 0/64} MD step = 199800 step time: 00:00:00.334045 Performance: 41.307 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 18:10:30,129 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 59.923 -31958 6567.6 -38526 -38526 -5.7182 -10.877 0.30642 3.4936e+05 2024-05-17 18:11:04,921 INFO [main.py:798]
{rank 0/64} MD step = 199900 step time: 00:00:00.339658 Performance: 41.307 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 18:11:09,706 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199900 39980 60.102 -31943 6587.2 -38530 -38530 -5.7169 -10.882 0.30709 3.4952e+05 2024-05-17 18:11:44,770 INFO [main.py:798]
{rank 0/64} MD step = 200000 step time: 00:00:00.347668 Performance: 41.308 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:11:50,490 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200000 40000 59.833 -31973 6557.7 -38531 -38531 -5.7159 -10.886 0.30644 3.4971e+05 2024-05-17 18:12:24,937 INFO [main.py:798]
{rank 0/64} MD step = 200100 step time: 00:00:00.343285 Performance: 41.309 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:12:29,756 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 60.799 -31809 6663.7 -38473 -38473 -5.7119 -10.891 0.30508 3.4986e+05 2024-05-17 18:13:04,715 INFO [main.py:798]
{rank 0/64} MD step = 200200 step time: 00:00:00.348120 Performance: 41.310 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:13:10,173 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 60.565 -31949 6638 -38587 -38587 -5.7095 -10.896 0.30476 3.5002e+05 2024-05-17 18:13:44,190 INFO [main.py:798]
{rank 0/64} MD step = 200300 step time: 00:00:00.347176 Performance: 41.311 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:13:49,543 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200300 40060 59.166 -32058 6484.7 -38543 -38543 -5.7086 -10.903 0.30482 3.5019e+05 2024-05-17 18:14:25,036 INFO [main.py:798]
{rank 0/64} MD step = 200400 step time: 00:00:00.327191 Performance: 41.312 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:14:32,892 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200400 40080 60.231 -31847 6601.4 -38448 -38448 -5.7057 -10.908 0.30493 3.5038e+05 2024-05-17 18:15:07,057 INFO [main.py:798]
{rank 0/64} MD step = 200500 step time: 00:00:00.331770 Performance: 41.312 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:15:12,141 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 59.574 -31953 6529.4 -38482 -38482 -5.7025 -10.911 0.3053 3.506e+05 2024-05-17 18:15:48,107 INFO [main.py:798]
{rank 0/64} MD step = 200600 step time: 00:00:00.326761 Performance: 41.312 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:15:56,985 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 59.448 -32012 6515.6 -38527 -38527 -5.7014 -10.915 0.30425 3.5075e+05 2024-05-17 18:16:31,248 INFO [main.py:798]
{rank 0/64} MD step = 200700 step time: 00:00:00.329290 Performance: 41.312 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:16:40,773 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200700 40140 59.866 -31925 6561.4 -38486 -38486 -5.7002 -10.92 0.30514 3.5091e+05 2024-05-17 18:17:15,877 INFO [main.py:798]
{rank 0/64} MD step = 200800 step time: 00:00:00.328228 Performance: 41.310 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:17:21,137 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 59.691 -31924 6542.3 -38466 -38466 -5.6991 -10.925 0.30525 3.5111e+05 2024-05-17 18:18:06,666 INFO [main.py:798]
{rank 0/64} MD step = 200900 step time: 00:00:00.347004 Performance: 41.306 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 18:18:14,549 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200900 40180 59.685 -32047 6541.6 -38588 -38588 -5.6972 -10.93 0.30356 3.5126e+05 2024-05-17 18:18:50,212 INFO [main.py:798]
{rank 0/64} MD step = 201000 step time: 00:00:00.332981 Performance: 41.305 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 18:18:57,597 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 60.358 -31829 6615.3 -38444 -38444 -5.6971 -10.936 0.30191 3.5145e+05 2024-05-17 18:19:32,295 INFO [main.py:798]
{rank 0/64} MD step = 201100 step time: 00:00:00.337789 Performance: 41.305 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 18:19:38,177 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 201100 40220 60.752 -31876 6658.5 -38534 -38534 -5.6969 -10.941 0.30154 3.5161e+05 2024-05-17 18:20:13,828 INFO [main.py:798]
{rank 0/64} MD step = 201200 step time: 00:00:00.349098 Performance: 41.305 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 18:20:20,569 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 201200 40240 59.91 -31899 6566.2 -38465 -38465 -5.6971 -10.946 0.30096 3.518e+05 2024-05-17 18:20:54,979 INFO [main.py:798]
{rank 0/64} MD step = 201300 step time: 00:00:00.341609 Performance: 41.305 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 18:21:02,161 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 60.098 -31972 6586.8 -38559 -38559 -5.6941 -10.951 0.29903 3.5196e+05 2024-05-17 18:21:36,339 INFO [main.py:798]
{rank 0/64} MD step = 201400 step time: 00:00:00.356155 Performance: 41.306 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 18:21:41,945 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 201400 40280 60.199 -31966 6597.9 -38564 -38564 -5.6913 -10.957 0.29906 3.5213e+05 2024-05-17 18:22:17,080 INFO [main.py:798]
{rank 0/64} MD step = 201500 step time: 00:00:00.332224 Performance: 41.306 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 18:22:22,484 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 201500 40300 60.155 -31886 6593 -38479 -38479 -5.6896 -10.963 0.2983 3.5228e+05 2024-05-17 18:22:59,375 INFO [main.py:798]
{rank 0/64} MD step = 201600 step time: 00:00:00.326927 Performance: 41.306 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 18:23:04,723 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 59.814 -31897 6555.7 -38453 -38453 -5.6887 -10.967 0.29825 3.5245e+05 2024-05-17 18:23:39,394 INFO [main.py:798]
{rank 0/64} MD step = 201700 step time: 00:00:00.343962 Performance: 41.307 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 18:23:44,680 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 60.421 -31827 6622.3 -38449 -38449 -5.688 -10.97 0.29794 3.5262e+05 2024-05-17 18:24:19,335 INFO [main.py:798]
{rank 0/64} MD step = 201800 step time: 00:00:00.335662 Performance: 41.308 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 18:24:26,527 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 59.586 -31905 6530.7 -38436 -38436 -5.6857 -10.975 0.29874 3.528e+05 2024-05-17 18:25:01,180 INFO [main.py:798]
{rank 0/64} MD step = 201900 step time: 00:00:00.331564 Performance: 41.308 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 18:25:09,262 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 201900 40380 59.364 -31979 6506.3 -38485 -38485 -5.6852 -10.976 0.29815 3.5295e+05 2024-05-17 18:25:44,073 INFO [main.py:798]
{rank 0/64} MD step = 202000 step time: 00:00:00.334042 Performance: 41.307 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 18:25:48,874 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 59.537 -31949 6525.3 -38474 -38474 -5.6815 -10.982 0.2978 3.5316e+05 2024-05-17 18:26:23,926 INFO [main.py:798]
{rank 0/64} MD step = 202100 step time: 00:00:00.333036 Performance: 41.308 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:26:32,957 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 60.102 -32020 6587.3 -38608 -38608 -5.6804 -10.987 0.29682 3.533e+05 2024-05-17 18:27:09,764 INFO [main.py:798]
{rank 0/64} MD step = 202200 step time: 00:00:00.328733 Performance: 41.306 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 18:27:16,508 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 59.364 -31967 6506.3 -38473 -38473 -5.6789 -10.991 0.29685 3.5348e+05 2024-05-17 18:27:50,874 INFO [main.py:798]
{rank 0/64} MD step = 202300 step time: 00:00:00.332162 Performance: 41.307 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 18:27:55,293 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 60.416 -31822 6621.6 -38443 -38443 -5.6776 -10.995 0.2968 3.5366e+05 2024-05-17 18:28:32,805 INFO [main.py:798]
{rank 0/64} MD step = 202400 step time: 00:00:00.348264 Performance: 41.306 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 18:28:37,601 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 202400 40480 59.622 -31899 6534.6 -38434 -38434 -5.6755 -11.001 0.29618 3.538e+05 2024-05-17 18:29:13,114 INFO [main.py:798]
{rank 0/64} MD step = 202500 step time: 00:00:00.333562 Performance: 41.307 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 18:29:17,329 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 202500 40500 59.991 -31949 6575 -38524 -38524 -5.6733 -11.005 0.29626 3.5397e+05 2024-05-17 18:29:53,282 INFO [main.py:798]
{rank 0/64} MD step = 202600 step time: 00:00:00.331573 Performance: 41.308 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:29:58,315 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 202600 40520 59.293 -32046 6498.5 -38544 -38544 -5.6694 -11.011 0.2956 3.5415e+05 2024-05-17 18:30:33,788 INFO [main.py:798]
{rank 0/64} MD step = 202700 step time: 00:00:00.330939 Performance: 41.309 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:30:40,027 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 59.699 -32068 6543.1 -38611 -38611 -5.6646 -11.016 0.29413 3.5435e+05 2024-05-17 18:31:14,112 INFO [main.py:798]
{rank 0/64} MD step = 202800 step time: 00:00:00.347080 Performance: 41.309 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:31:21,940 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 202800 40560 59.217 -32017 6490.3 -38508 -38508 -5.6623 -11.022 0.29426 3.5454e+05 2024-05-17 18:31:55,677 INFO [main.py:798]
{rank 0/64} MD step = 202900 step time: 00:00:00.352857 Performance: 41.310 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:32:01,013 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 58.999 -32028 6466.3 -38494 -38494 -5.6623 -11.027 0.29225 3.5471e+05 2024-05-17 18:32:35,436 INFO [main.py:798]
{rank 0/64} MD step = 203000 step time: 00:00:00.352969 Performance: 41.311 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:32:40,710 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 203000 40600 59.986 -32028 6574.5 -38602 -38602 -5.6626 -11.032 0.29202 3.5489e+05 2024-05-17 18:33:16,265 INFO [main.py:798]
{rank 0/64} MD step = 203100 step time: 00:00:00.342932 Performance: 41.311 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:33:22,331 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 203100 40620 60.408 -31906 6620.8 -38527 -38527 -5.662 -11.037 0.29262 3.5506e+05 2024-05-17 18:33:57,749 INFO [main.py:798]
{rank 0/64} MD step = 203200 step time: 00:00:00.391266 Performance: 41.311 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:34:04,138 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 59.965 -31845 6572.2 -38417 -38417 -5.6592 -11.042 0.2926 3.553e+05 2024-05-17 18:34:38,666 INFO [main.py:798]
{rank 0/64} MD step = 203300 step time: 00:00:00.336150 Performance: 41.312 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:34:47,490 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 203300 40660 59.16 -32057 6484 -38541 -38541 -5.6578 -11.047 0.29366 3.5548e+05 2024-05-17 18:35:25,231 INFO [main.py:798]
{rank 0/64} MD step = 203400 step time: 00:00:00.359037 Performance: 41.309 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:35:37,716 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 203400 40680 59.807 -31839 6555 -38394 -38394 -5.6568 -11.051 0.29275 3.5567e+05 2024-05-17 18:36:12,173 INFO [main.py:798]
{rank 0/64} MD step = 203500 step time: 00:00:00.353684 Performance: 41.307 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 18:36:18,017 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 203500 40700 59.213 -32069 6489.8 -38559 -38559 -5.6549 -11.057 0.29211 3.5582e+05 2024-05-17 18:36:53,321 INFO [main.py:798]
{rank 0/64} MD step = 203600 step time: 00:00:00.348017 Performance: 41.307 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 18:36:57,422 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 60.797 -31935 6663.4 -38599 -38599 -5.6525 -11.063 0.29097 3.5603e+05 2024-05-17 18:37:34,594 INFO [main.py:798]
{rank 0/64} MD step = 203700 step time: 00:00:00.369100 Performance: 41.307 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-17 18:37:40,162 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 60.819 -31786 6665.9 -38452 -38452 -5.6503 -11.067 0.29058 3.5624e+05 2024-05-17 18:38:14,842 INFO [main.py:798]
{rank 0/64} MD step = 203800 step time: 00:00:00.358242 Performance: 41.308 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:38:20,287 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 59.18 -32009 6486.2 -38496 -38496 -5.6491 -11.073 0.29043 3.5641e+05 2024-05-17 18:38:54,608 INFO [main.py:798]
{rank 0/64} MD step = 203900 step time: 00:00:00.335973 Performance: 41.309 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:39:00,364 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 203900 40780 60.437 -31962 6623.9 -38586 -38586 -5.6467 -11.079 0.29057 3.5658e+05 2024-05-17 18:39:34,626 INFO [main.py:798]
{rank 0/64} MD step = 204000 step time: 00:00:00.337686 Performance: 41.310 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:39:39,924 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204000 40800 60.041 -31854 6580.6 -38435 -38435 -5.6452 -11.086 0.28931 3.568e+05 2024-05-17 18:40:14,275 INFO [main.py:798]
{rank 0/64} MD step = 204100 step time: 00:00:00.354495 Performance: 41.311 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:40:19,648 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204100 40820 60.338 -31850 6613.1 -38463 -38463 -5.6458 -11.091 0.28815 3.5695e+05 2024-05-17 18:40:54,334 INFO [main.py:798]
{rank 0/64} MD step = 204200 step time: 00:00:00.347884 Performance: 41.312 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:40:59,335 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204200 40840 60.378 -31577 6617.5 -38195 -38195 -5.6441 -11.097 0.28705 3.5719e+05 2024-05-17 18:41:33,927 INFO [main.py:798]
{rank 0/64} MD step = 204300 step time: 00:00:00.347260 Performance: 41.313 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:41:39,952 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204300 40860 59.54 -31831 6525.7 -38357 -38357 -5.642 -11.102 0.28653 3.5734e+05 2024-05-17 18:42:14,557 INFO [main.py:798]
{rank 0/64} MD step = 204400 step time: 00:00:00.344197 Performance: 41.314 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:42:22,065 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204400 40880 60.08 -31831 6584.8 -38416 -38416 -5.6395 -11.108 0.28594 3.575e+05 2024-05-17 18:42:58,914 INFO [main.py:798]
{rank 0/64} MD step = 204500 step time: 00:00:00.381860 Performance: 41.312 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:43:04,563 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 60.182 -31993 6596 -38589 -38589 -5.6366 -11.115 0.286 3.5764e+05 2024-05-17 18:43:38,944 INFO [main.py:798]
{rank 0/64} MD step = 204600 step time: 00:00:00.350434 Performance: 41.313 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:43:44,722 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 59.425 -31944 6513 -38457 -38457 -5.6343 -11.12 0.28565 3.5782e+05 2024-05-17 18:44:19,833 INFO [main.py:798]
{rank 0/64} MD step = 204700 step time: 00:00:00.373486 Performance: 41.314 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:44:24,704 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204700 40940 59.906 -31912 6565.8 -38477 -38477 -5.6305 -11.125 0.28706 3.5799e+05 2024-05-17 18:44:59,650 INFO [main.py:798]
{rank 0/64} MD step = 204800 step time: 00:00:00.338123 Performance: 41.315 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:45:05,079 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204800 40960 60.751 -31785 6658.4 -38443 -38443 -5.6283 -11.13 0.2876 3.5818e+05 2024-05-17 18:45:39,592 INFO [main.py:798]
{rank 0/64} MD step = 204900 step time: 00:00:00.387287 Performance: 41.316 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:45:45,800 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204900 40980 59.765 -31936 6550.3 -38486 -38486 -5.6281 -11.135 0.28893 3.5832e+05 2024-05-17 18:46:21,386 INFO [main.py:798]
{rank 0/64} MD step = 205000 step time: 00:00:00.349948 Performance: 41.316 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:46:25,606 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205000 41000 59.101 -31984 6477.6 -38461 -38461 -5.6278 -11.141 0.28809 3.5847e+05 2024-05-17 18:47:01,855 INFO [main.py:798]
{rank 0/64} MD step = 205100 step time: 00:00:00.356104 Performance: 41.316 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:47:09,367 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205100 41020 60.028 -31756 6579.1 -38335 -38335 -5.6277 -11.145 0.2889 3.5867e+05 2024-05-17 18:47:44,642 INFO [main.py:798]
{rank 0/64} MD step = 205200 step time: 00:00:00.333327 Performance: 41.316 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:47:49,974 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 59.982 -31856 6574.1 -38430 -38430 -5.6269 -11.151 0.28695 3.5881e+05 2024-05-17 18:48:24,865 INFO [main.py:798]
{rank 0/64} MD step = 205300 step time: 00:00:00.337045 Performance: 41.317 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:48:30,124 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 60.31 -31844 6610 -38454 -38454 -5.6266 -11.157 0.28717 3.5901e+05 2024-05-17 18:49:04,699 INFO [main.py:798]
{rank 0/64} MD step = 205400 step time: 00:00:00.378912 Performance: 41.318 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:49:08,847 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205400 41080 60.275 -31913 6606.2 -38520 -38520 -5.6255 -11.16 0.28686 3.5914e+05 2024-05-17 18:49:47,001 INFO [main.py:798]
{rank 0/64} MD step = 205500 step time: 00:00:00.376523 Performance: 41.317 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:49:52,089 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205500 41100 60.471 -31921 6627.7 -38549 -38549 -5.6268 -11.164 0.28807 3.5933e+05 2024-05-17 18:50:27,903 INFO [main.py:798]
{rank 0/64} MD step = 205600 step time: 00:00:00.332173 Performance: 41.318 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:50:34,233 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205600 41120 59.686 -32075 6541.6 -38616 -38616 -5.6255 -11.167 0.28828 3.595e+05 2024-05-17 18:51:08,462 INFO [main.py:798]
{rank 0/64} MD step = 205700 step time: 00:00:00.351235 Performance: 41.318 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:51:13,163 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205700 41140 60.192 -32039 6597.1 -38636 -38636 -5.6222 -11.174 0.28714 3.5969e+05 2024-05-17 18:51:47,627 INFO [main.py:798]
{rank 0/64} MD step = 205800 step time: 00:00:00.359022 Performance: 41.320 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:51:57,638 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205800 41160 60.368 -31901 6616.4 -38517 -38517 -5.6184 -11.18 0.28696 3.5986e+05 2024-05-17 18:52:31,898 INFO [main.py:798]
{rank 0/64} MD step = 205900 step time: 00:00:00.348784 Performance: 41.319 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:52:37,171 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205900 41180 59.582 -31955 6530.3 -38485 -38485 -5.6157 -11.186 0.28634 3.6004e+05 2024-05-17 18:53:12,124 INFO [main.py:798]
{rank 0/64} MD step = 206000 step time: 00:00:00.351144 Performance: 41.319 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:53:16,277 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 206000 41200 59.839 -31837 6558.4 -38396 -38396 -5.6142 -11.189 0.28505 3.6024e+05 2024-05-17 18:53:52,472 INFO [main.py:798]
{rank 0/64} MD step = 206100 step time: 00:00:00.369151 Performance: 41.320 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:54:00,068 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 60.222 -31959 6600.5 -38560 -38560 -5.6146 -11.194 0.28537 3.604e+05 2024-05-17 18:54:34,347 INFO [main.py:798]
{rank 0/64} MD step = 206200 step time: 00:00:00.348462 Performance: 41.320 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:54:39,786 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 206200 41240 60.906 -31845 6675.4 -38520 -38520 -5.6128 -11.2 0.28295 3.6057e+05 2024-05-17 18:55:14,574 INFO [main.py:798]
{rank 0/64} MD step = 206300 step time: 00:00:00.351247 Performance: 41.321 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:55:20,055 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 206300 41260 60.176 -31996 6595.3 -38592 -38592 -5.6108 -11.204 0.28337 3.6075e+05 2024-05-17 18:55:54,616 INFO [main.py:798]
{rank 0/64} MD step = 206400 step time: 00:00:00.356564 Performance: 41.322 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:56:00,366 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 60.056 -31823 6582.3 -38405 -38405 -5.6107 -11.21 0.28238 3.6097e+05 2024-05-17 18:56:35,177 INFO [main.py:798]
{rank 0/64} MD step = 206500 step time: 00:00:00.339187 Performance: 41.322 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:56:40,089 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 206500 41300 59.346 -31880 6504.4 -38384 -38384 -5.6084 -11.215 0.28154 3.6112e+05 2024-05-17 18:57:15,537 INFO [main.py:798]
{rank 0/64} MD step = 206600 step time: 00:00:00.373750 Performance: 41.323 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:57:31,576 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 206600 41320 59.455 -31940 6516.4 -38456 -38456 -5.6076 -11.22 0.28222 3.6129e+05 2024-05-17 18:58:06,459 INFO [main.py:798]
{rank 0/64} MD step = 206700 step time: 00:00:00.356327 Performance: 41.319 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:58:10,460 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 59.986 -31903 6574.5 -38477 -38477 -5.608 -11.227 0.28341 3.6146e+05 2024-05-17 18:58:46,416 INFO [main.py:798]
{rank 0/64} MD step = 206800 step time: 00:00:00.336001 Performance: 41.319 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:58:51,950 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 59.557 -31969 6527.6 -38497 -38497 -5.6055 -11.231 0.28337 3.6163e+05 2024-05-17 18:59:26,625 INFO [main.py:798]
{rank 0/64} MD step = 206900 step time: 00:00:00.380991 Performance: 41.320 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 18:59:31,821 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 206900 41380 60.572 -31893 6638.8 -38532 -38532 -5.6029 -11.237 0.28318 3.6183e+05 2024-05-17 19:00:06,994 INFO [main.py:798]
{rank 0/64} MD step = 207000 step time: 00:00:00.338497 Performance: 41.321 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 19:00:12,641 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 60.067 -31854 6583.4 -38438 -38438 -5.6019 -11.242 0.28249 3.6199e+05 2024-05-17 19:00:47,460 INFO [main.py:798]
{rank 0/64} MD step = 207100 step time: 00:00:00.353072 Performance: 41.322 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 19:00:54,366 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 60.091 -31923 6586.1 -38509 -38509 -5.5973 -11.247 0.28188 3.6217e+05 2024-05-17 19:01:29,581 INFO [main.py:798]
{rank 0/64} MD step = 207200 step time: 00:00:00.333366 Performance: 41.321 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 19:01:37,451 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 62.181 -31539 6815.1 -38355 -38355 -5.5965 -11.251 0.27959 3.6235e+05 2024-05-17 19:02:12,076 INFO [main.py:798]
{rank 0/64} MD step = 207300 step time: 00:00:00.350535 Performance: 41.321 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 19:02:15,948 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 207300 41460 59.098 -31906 6477.2 -38383 -38383 -5.5937 -11.255 0.27943 3.6254e+05 2024-05-17 19:02:53,570 INFO [main.py:798]
{rank 0/64} MD step = 207400 step time: 00:00:00.327343 Performance: 41.321 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 19:02:58,454 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 207400 41480 60.014 -31854 6577.6 -38432 -38432 -5.5911 -11.263 0.27797 3.6273e+05 2024-05-17 19:03:33,446 INFO [main.py:798]
{rank 0/64} MD step = 207500 step time: 00:00:00.334075 Performance: 41.322 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 19:03:39,837 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 61.083 -31814 6694.7 -38509 -38509 -5.592 -11.267 0.27615 3.6289e+05 2024-05-17 19:04:14,697 INFO [main.py:798]
{rank 0/64} MD step = 207600 step time: 00:00:00.337998 Performance: 41.322 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 19:04:20,593 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 58.548 -32085 6417 -38502 -38502 -5.5929 -11.272 0.27618 3.6307e+05 2024-05-17 19:04:55,381 INFO [main.py:798]
{rank 0/64} MD step = 207700 step time: 00:00:00.331746 Performance: 41.323 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 19:05:00,968 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 61.003 -31825 6686 -38511 -38511 -5.5938 -11.275 0.27529 3.6324e+05 2024-05-17 19:05:35,850 INFO [main.py:798]
{rank 0/64} MD step = 207800 step time: 00:00:00.331338 Performance: 41.324 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 19:05:41,833 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 207800 41560 60.951 -31829 6680.3 -38509 -38509 -5.5945 -11.281 0.27672 3.634e+05 2024-05-17 19:06:18,917 INFO [main.py:798]
{rank 0/64} MD step = 207900 step time: 00:00:00.371754 Performance: 41.323 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 19:06:28,128 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 59.695 -32025 6542.6 -38568 -38568 -5.5926 -11.286 0.27514 3.6358e+05 2024-05-17 19:07:02,089 INFO [main.py:798]
{rank 0/64} MD step = 208000 step time: 00:00:00.351074 Performance: 41.322 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 19:07:07,969 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 208000 41600 60.074 -31932 6584.1 -38517 -38517 -5.59 -11.29 0.27606 3.6376e+05 2024-05-17 19:07:44,103 INFO [main.py:798]
{rank 0/64} MD step = 208100 step time: 00:00:00.362101 Performance: 41.322 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 19:07:50,358 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 59.975 -31821 6573.4 -38394 -38394 -5.5878 -11.295 0.27619 3.6396e+05 2024-05-17 19:08:25,217 INFO [main.py:798]
{rank 0/64} MD step = 208200 step time: 00:00:00.351463 Performance: 41.323 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 19:08:35,577 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 59.249 -31911 6493.7 -38405 -38405 -5.5854 -11.3 0.27666 3.6414e+05 2024-05-17 19:09:12,217 INFO [main.py:798]
{rank 0/64} MD step = 208300 step time: 00:00:00.368707 Performance: 41.320 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 19:09:16,219 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 208300 41660 59.603 -32015 6532.6 -38547 -38547 -5.583 -11.306 0.27647 3.6431e+05 2024-05-17 19:09:54,879 INFO [main.py:798]
{rank 0/64} MD step = 208400 step time: 00:00:00.379420 Performance: 41.320 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 19:10:06,972 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 60.047 -31759 6581.2 -38341 -38341 -5.5795 -11.311 0.27685 3.6449e+05 2024-05-17 19:10:41,779 INFO [main.py:798]
{rank 0/64} MD step = 208500 step time: 00:00:00.327625 Performance: 41.317 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 19:10:46,834 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 59.333 -32085 6502.9 -38588 -38588 -5.5778 -11.316 0.2768 3.6461e+05 2024-05-17 19:11:21,476 INFO [main.py:798]
{rank 0/64} MD step = 208600 step time: 00:00:00.342201 Performance: 41.318 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 19:11:27,757 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 60.016 -31908 6577.9 -38486 -38486 -5.5761 -11.321 0.27683 3.6483e+05 2024-05-17 19:12:04,418 INFO [main.py:798]
{rank 0/64} MD step = 208700 step time: 00:00:00.374493 Performance: 41.318 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 19:12:09,621 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 208700 41740 59.74 -31811 6547.5 -38359 -38359 -5.5742 -11.327 0.27613 3.6502e+05 2024-05-17 19:12:45,013 INFO [main.py:798]
{rank 0/64} MD step = 208800 step time: 00:00:00.347424 Performance: 41.318 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 19:12:51,216 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 59.571 -31932 6529.1 -38461 -38461 -5.5721 -11.334 0.27594 3.6516e+05 2024-05-17 19:13:25,924 INFO [main.py:798]
{rank 0/64} MD step = 208900 step time: 00:00:00.350366 Performance: 41.319 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 19:13:31,181 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 208900 41780 60.422 -31689 6622.3 -38311 -38311 -5.5679 -11.339 0.27585 3.6538e+05 2024-05-17 19:14:05,724 INFO [main.py:798]
{rank 0/64} MD step = 209000 step time: 00:00:00.352217 Performance: 41.320 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 19:14:12,161 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 60.274 -31905 6606.1 -38511 -38511 -5.5642 -11.344 0.27672 3.655e+05 2024-05-17 19:14:46,451 INFO [main.py:798]
{rank 0/64} MD step = 209100 step time: 00:00:00.353147 Performance: 41.320 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 19:14:51,668 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209100 41820 59.755 -31981 6549.2 -38530 -38530 -5.5623 -11.351 0.27746 3.6567e+05 2024-05-17 19:15:26,855 INFO [main.py:798]
{rank 0/64} MD step = 209200 step time: 00:00:00.355603 Performance: 41.321 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 19:15:32,637 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209200 41840 60.127 -31980 6590 -38570 -38570 -5.5588 -11.354 0.2782 3.6583e+05 2024-05-17 19:16:07,530 INFO [main.py:798]
{rank 0/64} MD step = 209300 step time: 00:00:00.351779 Performance: 41.321 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 19:16:12,712 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 60.459 -32015 6626.3 -38642 -38642 -5.5575 -11.359 0.27743 3.6597e+05 2024-05-17 19:16:48,656 INFO [main.py:798]
{rank 0/64} MD step = 209400 step time: 00:00:00.354103 Performance: 41.322 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 19:16:54,909 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 61.39 -31754 6728.5 -38483 -38483 -5.5553 -11.365 0.27904 3.6615e+05 2024-05-17 19:17:29,473 INFO [main.py:798]
{rank 0/64} MD step = 209500 step time: 00:00:00.343375 Performance: 41.322 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 19:17:34,415 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 60.375 -31859 6617.2 -38477 -38477 -5.5533 -11.369 0.27783 3.6634e+05 2024-05-17 19:18:10,187 INFO [main.py:798]
{rank 0/64} MD step = 209600 step time: 00:00:00.377400 Performance: 41.323 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 19:18:15,373 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209600 41920 59.168 -31947 6484.9 -38432 -38432 -5.5503 -11.373 0.27792 3.6653e+05 2024-05-17 19:18:52,639 INFO [main.py:798]
{rank 0/64} MD step = 209700 step time: 00:00:00.370724 Performance: 41.323 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 19:18:58,679 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209700 41940 59.311 -32075 6500.5 -38575 -38575 -5.5491 -11.378 0.27672 3.6666e+05 2024-05-17 19:19:33,759 INFO [main.py:798]
{rank 0/64} MD step = 209800 step time: 00:00:00.347695 Performance: 41.323 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 19:19:39,201 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209800 41960 60.479 -31883 6628.6 -38511 -38511 -5.5442 -11.383 0.27769 3.6686e+05 2024-05-17 19:20:14,224 INFO [main.py:798]
{rank 0/64} MD step = 209900 step time: 00:00:00.357110 Performance: 41.323 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 19:20:20,359 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 59.491 -31993 6520.2 -38513 -38513 -5.5414 -11.387 0.27779 3.6702e+05 2024-05-17 19:20:55,191 INFO [main.py:798]
{rank 0/64} MD step = 210000 step time: 00:00:00.361913 Performance: 41.324 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 19:21:01,480 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 60.08 -31895 6584.9 -38480 -38480 -5.5378 -11.394 0.27716 3.6722e+05 2024-05-17 19:21:36,555 INFO [main.py:798]
{rank 0/64} MD step = 210100 step time: 00:00:00.384489 Performance: 41.324 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 19:21:41,799 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210100 42020 60.483 -31795 6629 -38424 -38424 -5.5358 -11.398 0.27709 3.6742e+05 2024-05-17 19:22:16,785 INFO [main.py:798]
{rank 0/64} MD step = 210200 step time: 00:00:00.361601 Performance: 41.325 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 19:22:21,708 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210200 42040 59.467 -31815 6517.7 -38333 -38333 -5.5335 -11.404 0.278 3.6763e+05 2024-05-17 19:22:57,104 INFO [main.py:798]
{rank 0/64} MD step = 210300 step time: 00:00:00.338775 Performance: 41.326 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:23:05,755 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 59.441 -31920 6514.9 -38435 -38435 -5.5317 -11.408 0.27777 3.6778e+05 2024-05-17 19:23:40,880 INFO [main.py:798]
{rank 0/64} MD step = 210400 step time: 00:00:00.339755 Performance: 41.325 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 19:23:45,252 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210400 42080 59.763 -31912 6550.1 -38462 -38462 -5.528 -11.413 0.27806 3.6796e+05 2024-05-17 19:24:21,519 INFO [main.py:798]
{rank 0/64} MD step = 210500 step time: 00:00:00.339119 Performance: 41.325 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:24:27,047 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 61.143 -31675 6701.3 -38377 -38377 -5.5251 -11.419 0.27685 3.6817e+05 2024-05-17 19:25:02,741 INFO [main.py:798]
{rank 0/64} MD step = 210600 step time: 00:00:00.347816 Performance: 41.325 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:25:08,707 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210600 42120 59.845 -31860 6559 -38419 -38419 -5.5241 -11.424 0.27703 3.6828e+05 2024-05-17 19:25:42,659 INFO [main.py:798]
{rank 0/64} MD step = 210700 step time: 00:00:00.376413 Performance: 41.326 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:25:47,392 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 60.395 -31847 6619.4 -38466 -38466 -5.5209 -11.431 0.27565 3.6845e+05 2024-05-17 19:26:22,026 INFO [main.py:798]
{rank 0/64} MD step = 210800 step time: 00:00:00.353796 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:26:27,786 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 59.796 -31894 6553.8 -38448 -38448 -5.5168 -11.437 0.27532 3.6865e+05 2024-05-17 19:27:02,703 INFO [main.py:798]
{rank 0/64} MD step = 210900 step time: 00:00:00.359089 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:27:06,378 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 58.919 -32116 6457.6 -38574 -38574 -5.5136 -11.442 0.27605 3.6881e+05 2024-05-17 19:27:42,390 INFO [main.py:798]
{rank 0/64} MD step = 211000 step time: 00:00:00.358129 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:27:47,820 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211000 42200 59.711 -32021 6544.4 -38565 -38565 -5.5091 -11.448 0.27609 3.6899e+05 2024-05-17 19:28:22,774 INFO [main.py:798]
{rank 0/64} MD step = 211100 step time: 00:00:00.352919 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:28:32,323 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 60.008 -31880 6577 -38457 -38457 -5.5055 -11.452 0.27781 3.6918e+05 2024-05-17 19:29:07,893 INFO [main.py:798]
{rank 0/64} MD step = 211200 step time: 00:00:00.373489 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:29:17,462 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 58.698 -32092 6433.4 -38526 -38526 -5.504 -11.457 0.27863 3.6936e+05 2024-05-17 19:29:51,912 INFO [main.py:798]
{rank 0/64} MD step = 211300 step time: 00:00:00.366181 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:29:57,498 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211300 42260 59.724 -31993 6545.8 -38538 -38538 -5.5017 -11.463 0.27744 3.6953e+05 2024-05-17 19:30:36,041 INFO [main.py:798]
{rank 0/64} MD step = 211400 step time: 00:00:00.352431 Performance: 41.326 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:30:41,714 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211400 42280 60.284 -31777 6607.2 -38385 -38385 -5.4979 -11.469 0.27701 3.6975e+05 2024-05-17 19:31:15,914 INFO [main.py:798]
{rank 0/64} MD step = 211500 step time: 00:00:00.344171 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:31:22,719 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211500 42300 60.487 -31865 6629.4 -38495 -38495 -5.4923 -11.472 0.27615 3.699e+05 2024-05-17 19:31:57,568 INFO [main.py:798]
{rank 0/64} MD step = 211600 step time: 00:00:00.369247 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:32:05,694 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 60.308 -31931 6609.8 -38541 -38541 -5.4895 -11.478 0.27474 3.7008e+05 2024-05-17 19:32:40,513 INFO [main.py:798]
{rank 0/64} MD step = 211700 step time: 00:00:00.354115 Performance: 41.326 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:32:46,105 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211700 42340 60.107 -31905 6587.8 -38493 -38493 -5.4859 -11.484 0.27595 3.7026e+05 2024-05-17 19:33:20,795 INFO [main.py:798]
{rank 0/64} MD step = 211800 step time: 00:00:00.344588 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:33:26,399 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211800 42360 60.047 -31942 6581.3 -38523 -38523 -5.4818 -11.492 0.27585 3.7043e+05 2024-05-17 19:34:01,098 INFO [main.py:798]
{rank 0/64} MD step = 211900 step time: 00:00:00.350437 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:34:05,168 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 60.081 -31860 6584.9 -38444 -38444 -5.4786 -11.496 0.27643 3.7062e+05 2024-05-17 19:34:41,461 INFO [main.py:798]
{rank 0/64} MD step = 212000 step time: 00:00:00.350987 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:34:47,048 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212000 42400 60.098 -31930 6586.9 -38517 -38517 -5.4742 -11.502 0.27725 3.7076e+05 2024-05-17 19:35:21,857 INFO [main.py:798]
{rank 0/64} MD step = 212100 step time: 00:00:00.356131 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:35:28,084 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212100 42420 59.882 -31885 6563.2 -38448 -38448 -5.4688 -11.507 0.27607 3.7096e+05 2024-05-17 19:36:02,317 INFO [main.py:798]
{rank 0/64} MD step = 212200 step time: 00:00:00.373787 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:36:10,006 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212200 42440 59.846 -31845 6559.2 -38404 -38404 -5.4654 -11.513 0.27607 3.711e+05 2024-05-17 19:36:45,051 INFO [main.py:798]
{rank 0/64} MD step = 212300 step time: 00:00:00.386037 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:36:51,877 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 59.967 -31916 6572.5 -38488 -38488 -5.4629 -11.518 0.27514 3.7127e+05 2024-05-17 19:37:27,779 INFO [main.py:798]
{rank 0/64} MD step = 212400 step time: 00:00:00.361945 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:37:37,776 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212400 42480 60.407 -31938 6620.7 -38558 -38558 -5.4602 -11.523 0.27438 3.7146e+05 2024-05-17 19:38:12,839 INFO [main.py:798]
{rank 0/64} MD step = 212500 step time: 00:00:00.349271 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:38:16,675 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 60.019 -31816 6578.1 -38394 -38394 -5.4561 -11.528 0.27334 3.7163e+05 2024-05-17 19:38:52,677 INFO [main.py:798]
{rank 0/64} MD step = 212600 step time: 00:00:00.371806 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:38:58,908 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212600 42520 59.987 -31913 6574.7 -38488 -38488 -5.4538 -11.534 0.27245 3.7177e+05 2024-05-17 19:39:32,602 INFO [main.py:798]
{rank 0/64} MD step = 212700 step time: 00:00:00.337361 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:39:39,069 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212700 42540 60.07 -31799 6583.8 -38383 -38383 -5.4495 -11.54 0.27083 3.7197e+05 2024-05-17 19:40:14,316 INFO [main.py:798]
{rank 0/64} MD step = 212800 step time: 00:00:00.352525 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:40:20,169 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 60.172 -31823 6594.9 -38418 -38418 -5.4463 -11.545 0.27126 3.7213e+05 2024-05-17 19:40:56,146 INFO [main.py:798]
{rank 0/64} MD step = 212900 step time: 00:00:00.379357 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:41:03,549 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 59.623 -31958 6534.7 -38493 -38493 -5.4441 -11.551 0.27165 3.7229e+05 2024-05-17 19:41:38,101 INFO [main.py:798]
{rank 0/64} MD step = 213000 step time: 00:00:00.353754 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:41:53,117 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 213000 42600 59.631 -31915 6535.6 -38450 -38450 -5.4403 -11.555 0.27005 3.7246e+05 2024-05-17 19:42:27,713 INFO [main.py:798]
{rank 0/64} MD step = 213100 step time: 00:00:00.352292 Performance: 41.326 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:42:36,703 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 60.268 -31906 6605.5 -38511 -38511 -5.4374 -11.559 0.26806 3.7263e+05 2024-05-17 19:43:12,299 INFO [main.py:798]
{rank 0/64} MD step = 213200 step time: 00:00:00.338710 Performance: 41.324 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 19:43:19,195 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 61.234 -31665 6711.4 -38376 -38376 -5.4339 -11.566 0.26695 3.7281e+05 2024-05-17 19:43:53,661 INFO [main.py:798]
{rank 0/64} MD step = 213300 step time: 00:00:00.357936 Performance: 41.325 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 19:43:59,268 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 61.255 -31779 6713.7 -38493 -38493 -5.4313 -11.57 0.26671 3.7294e+05 2024-05-17 19:44:33,743 INFO [main.py:798]
{rank 0/64} MD step = 213400 step time: 00:00:00.337342 Performance: 41.325 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:44:40,253 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 59.345 -31891 6504.3 -38395 -38395 -5.4297 -11.576 0.26725 3.731e+05 2024-05-17 19:45:14,782 INFO [main.py:798]
{rank 0/64} MD step = 213500 step time: 00:00:00.350005 Performance: 41.326 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:45:20,685 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 60.815 -31847 6665.4 -38512 -38512 -5.428 -11.583 0.2671 3.7328e+05 2024-05-17 19:45:55,078 INFO [main.py:798]
{rank 0/64} MD step = 213600 step time: 00:00:00.357550 Performance: 41.326 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:46:01,417 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 213600 42720 59.73 -31978 6546.5 -38524 -38524 -5.4269 -11.587 0.26735 3.7344e+05 2024-05-17 19:46:35,717 INFO [main.py:798]
{rank 0/64} MD step = 213700 step time: 00:00:00.351387 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:46:39,454 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 213700 42740 60.431 -31858 6623.3 -38481 -38481 -5.4233 -11.591 0.26805 3.7361e+05 2024-05-17 19:47:16,349 INFO [main.py:798]
{rank 0/64} MD step = 213800 step time: 00:00:00.364796 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:47:22,994 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 59.887 -31939 6563.7 -38503 -38503 -5.4208 -11.595 0.2684 3.7375e+05 2024-05-17 19:47:57,963 INFO [main.py:798]
{rank 0/64} MD step = 213900 step time: 00:00:00.355219 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:48:07,107 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 61 -31807 6685.7 -38492 -38492 -5.4162 -11.599 0.26835 3.7387e+05 2024-05-17 19:48:41,838 INFO [main.py:798]
{rank 0/64} MD step = 214000 step time: 00:00:00.345098 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:48:46,459 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 60.391 -31959 6618.9 -38578 -38578 -5.4132 -11.605 0.26723 3.7402e+05 2024-05-17 19:49:22,882 INFO [main.py:798]
{rank 0/64} MD step = 214100 step time: 00:00:00.338271 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:49:27,397 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214100 42820 59.964 -31981 6572.2 -38553 -38553 -5.41 -11.609 0.26862 3.742e+05 2024-05-17 19:50:03,004 INFO [main.py:798]
{rank 0/64} MD step = 214200 step time: 00:00:00.356696 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:50:07,229 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214200 42840 60.185 -31867 6596.3 -38463 -38463 -5.408 -11.615 0.26706 3.7439e+05 2024-05-17 19:50:44,623 INFO [main.py:798]
{rank 0/64} MD step = 214300 step time: 00:00:00.374709 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:50:50,360 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214300 42860 59.827 -31939 6557.2 -38496 -38496 -5.404 -11.621 0.26751 3.7455e+05 2024-05-17 19:51:25,168 INFO [main.py:798]
{rank 0/64} MD step = 214400 step time: 00:00:00.350412 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:51:34,431 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 60.314 -31884 6610.5 -38494 -38494 -5.401 -11.626 0.26771 3.7472e+05 2024-05-17 19:52:09,054 INFO [main.py:798]
{rank 0/64} MD step = 214500 step time: 00:00:00.344139 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:52:12,860 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214500 42900 60.246 -31930 6603.1 -38533 -38533 -5.3982 -11.631 0.26661 3.7486e+05 2024-05-17 19:52:48,498 INFO [main.py:798]
{rank 0/64} MD step = 214600 step time: 00:00:00.343787 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:52:54,204 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 59.422 -31994 6512.7 -38507 -38507 -5.3958 -11.637 0.26626 3.7505e+05 2024-05-17 19:53:28,383 INFO [main.py:798]
{rank 0/64} MD step = 214700 step time: 00:00:00.340689 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:53:34,108 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 61.16 -31861 6703.2 -38564 -38564 -5.3909 -11.644 0.26702 3.7521e+05 2024-05-17 19:54:08,994 INFO [main.py:798]
{rank 0/64} MD step = 214800 step time: 00:00:00.357067 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:54:16,043 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 59.63 -31978 6535.5 -38514 -38514 -5.3876 -11.65 0.26763 3.7538e+05 2024-05-17 19:54:50,958 INFO [main.py:798]
{rank 0/64} MD step = 214900 step time: 00:00:00.367580 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:55:01,200 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214900 42980 59.873 -31984 6562.1 -38547 -38547 -5.3852 -11.655 0.26872 3.7557e+05 2024-05-17 19:55:37,051 INFO [main.py:798]
{rank 0/64} MD step = 215000 step time: 00:00:00.339033 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:55:47,229 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215000 43000 59.306 -32015 6500 -38515 -38515 -5.3821 -11.66 0.26825 3.7577e+05 2024-05-17 19:56:21,576 INFO [main.py:798]
{rank 0/64} MD step = 215100 step time: 00:00:00.328341 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:56:27,254 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 60.901 -31768 6674.9 -38443 -38443 -5.3799 -11.666 0.26849 3.7596e+05 2024-05-17 19:57:02,388 INFO [main.py:798]
{rank 0/64} MD step = 215200 step time: 00:00:00.337504 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:57:07,364 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215200 43040 59.722 -31859 6545.6 -38405 -38405 -5.3763 -11.671 0.26875 3.7613e+05 2024-05-17 19:57:42,224 INFO [main.py:798]
{rank 0/64} MD step = 215300 step time: 00:00:00.326601 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:57:47,621 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215300 43060 60.795 -31956 6663.2 -38619 -38619 -5.3734 -11.674 0.26701 3.7629e+05 2024-05-17 19:58:22,321 INFO [main.py:798]
{rank 0/64} MD step = 215400 step time: 00:00:00.350373 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:58:28,661 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 60.213 -31922 6599.4 -38521 -38521 -5.372 -11.679 0.26609 3.765e+05 2024-05-17 19:59:02,587 INFO [main.py:798]
{rank 0/64} MD step = 215500 step time: 00:00:00.358539 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:59:07,691 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215500 43100 60.903 -31831 6675 -38506 -38506 -5.3675 -11.685 0.26647 3.7664e+05 2024-05-17 19:59:42,426 INFO [main.py:798]
{rank 0/64} MD step = 215600 step time: 00:00:00.348864 Performance: 41.331 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 19:59:47,775 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215600 43120 60.464 -31888 6626.9 -38515 -38515 -5.365 -11.689 0.2664 3.7682e+05 2024-05-17 20:00:22,047 INFO [main.py:798]
{rank 0/64} MD step = 215700 step time: 00:00:00.354012 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:00:28,678 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215700 43140 60.392 -31852 6619.1 -38471 -38471 -5.3606 -11.691 0.26507 3.7702e+05 2024-05-17 20:01:03,681 INFO [main.py:798]
{rank 0/64} MD step = 215800 step time: 00:00:00.335266 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:01:10,090 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215800 43160 59.721 -32031 6545.5 -38576 -38576 -5.3588 -11.697 0.26241 3.7718e+05 2024-05-17 20:01:44,347 INFO [main.py:798]
{rank 0/64} MD step = 215900 step time: 00:00:00.352671 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:01:51,755 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215900 43180 60.348 -31962 6614.2 -38576 -38576 -5.3557 -11.704 0.26302 3.7733e+05 2024-05-17 20:02:27,631 INFO [main.py:798]
{rank 0/64} MD step = 216000 step time: 00:00:00.359326 Performance: 41.331 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:02:33,640 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 216000 43200 60.647 -31923 6647 -38570 -38570 -5.352 -11.709 0.26382 3.7754e+05 2024-05-17 20:03:08,596 INFO [main.py:798]
{rank 0/64} MD step = 216100 step time: 00:00:00.354136 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:03:15,737 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 59.399 -31924 6510.3 -38434 -38434 -5.3476 -11.716 0.26366 3.7775e+05 2024-05-17 20:03:51,820 INFO [main.py:798]
{rank 0/64} MD step = 216200 step time: 00:00:00.356701 Performance: 41.331 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:03:57,058 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 216200 43240 59.672 -32009 6540.2 -38550 -38550 -5.3448 -11.719 0.26394 3.7792e+05 2024-05-17 20:04:31,831 INFO [main.py:798]
{rank 0/64} MD step = 216300 step time: 00:00:00.352220 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:04:36,951 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 216300 43260 60.242 -31914 6602.6 -38517 -38517 -5.3383 -11.725 0.26547 3.7808e+05 2024-05-17 20:05:12,207 INFO [main.py:798]
{rank 0/64} MD step = 216400 step time: 00:00:00.356112 Performance: 41.333 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:05:18,597 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 59.803 -31890 6554.5 -38445 -38445 -5.3335 -11.729 0.26528 3.7825e+05 2024-05-17 20:05:53,360 INFO [main.py:798]
{rank 0/64} MD step = 216500 step time: 00:00:00.355011 Performance: 41.333 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:05:57,630 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 216500 43300 60.785 -31857 6662.1 -38519 -38519 -5.329 -11.736 0.26434 3.7843e+05 2024-05-17 20:06:35,559 INFO [main.py:798]
{rank 0/64} MD step = 216600 step time: 00:00:00.370354 Performance: 41.333 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:06:41,095 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 216600 43320 59.955 -32043 6571.2 -38614 -38614 -5.3255 -11.741 0.26275 3.7862e+05 2024-05-17 20:07:15,639 INFO [main.py:798]
{rank 0/64} MD step = 216700 step time: 00:00:00.346961 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:07:22,268 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 60.094 -31959 6586.3 -38546 -38546 -5.3217 -11.746 0.26198 3.788e+05 2024-05-17 20:07:56,894 INFO [main.py:798]
{rank 0/64} MD step = 216800 step time: 00:00:00.361271 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:08:01,230 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 216800 43360 60.656 -31780 6648 -38428 -38428 -5.3196 -11.751 0.2615 3.7901e+05 2024-05-17 20:08:37,515 INFO [main.py:798]
{rank 0/64} MD step = 216900 step time: 00:00:00.341980 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:08:56,178 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 59.209 -32038 6489.3 -38528 -38528 -5.3153 -11.756 0.26215 3.7918e+05 2024-05-17 20:09:30,793 INFO [main.py:798]
{rank 0/64} MD step = 217000 step time: 00:00:00.357239 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:09:36,595 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 217000 43400 60.445 -31826 6624.9 -38451 -38451 -5.3122 -11.76 0.26181 3.7934e+05 2024-05-17 20:10:11,573 INFO [main.py:798]
{rank 0/64} MD step = 217100 step time: 00:00:00.352409 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:10:15,728 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 217100 43420 59.323 -31942 6501.8 -38444 -38444 -5.3082 -11.765 0.26163 3.7951e+05 2024-05-17 20:10:52,779 INFO [main.py:798]
{rank 0/64} MD step = 217200 step time: 00:00:00.369944 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:10:58,480 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 217200 43440 60.476 -31899 6628.2 -38527 -38527 -5.3041 -11.77 0.261 3.7968e+05 2024-05-17 20:11:33,386 INFO [main.py:798]
{rank 0/64} MD step = 217300 step time: 00:00:00.345083 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:11:42,459 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 217300 43460 59.971 -31932 6572.9 -38505 -38505 -5.3014 -11.776 0.2604 3.7984e+05 2024-05-17 20:12:17,419 INFO [main.py:798]
{rank 0/64} MD step = 217400 step time: 00:00:00.358477 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:12:26,239 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 217400 43480 60.143 -31870 6591.8 -38462 -38462 -5.3001 -11.782 0.26141 3.8002e+05 2024-05-17 20:13:01,003 INFO [main.py:798]
{rank 0/64} MD step = 217500 step time: 00:00:00.350061 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:13:08,215 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 59.704 -31772 6543.7 -38316 -38316 -5.2985 -11.788 0.26222 3.8021e+05 2024-05-17 20:13:43,607 INFO [main.py:798]
{rank 0/64} MD step = 217600 step time: 00:00:00.343623 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:13:51,402 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 60.433 -31806 6623.5 -38430 -38430 -5.2955 -11.793 0.26062 3.8036e+05 2024-05-17 20:14:26,299 INFO [main.py:798]
{rank 0/64} MD step = 217700 step time: 00:00:00.353984 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:14:31,400 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 60.254 -31798 6603.9 -38402 -38402 -5.2938 -11.798 0.26154 3.8054e+05 2024-05-17 20:15:06,744 INFO [main.py:798]
{rank 0/64} MD step = 217800 step time: 00:00:00.354651 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:15:13,014 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 59.443 -32172 6515 -38687 -38687 -5.2936 -11.804 0.25974 3.8071e+05 2024-05-17 20:15:47,374 INFO [main.py:798]
{rank 0/64} MD step = 217900 step time: 00:00:00.346485 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:15:54,116 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 59.683 -31993 6541.3 -38535 -38535 -5.2915 -11.809 0.25996 3.8093e+05 2024-05-17 20:16:27,553 INFO [main.py:798]
{rank 0/64} MD step = 218000 step time: 00:00:00.349933 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:16:32,788 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 218000 43600 60.801 -31888 6663.9 -38552 -38552 -5.2891 -11.816 0.25914 3.811e+05 2024-05-17 20:17:08,066 INFO [main.py:798]
{rank 0/64} MD step = 218100 step time: 00:00:00.351600 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:17:14,997 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 60.192 -31957 6597.1 -38555 -38555 -5.2866 -11.821 0.25819 3.8127e+05 2024-05-17 20:17:50,435 INFO [main.py:798]
{rank 0/64} MD step = 218200 step time: 00:00:00.352331 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:17:54,932 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 59.634 -31801 6536 -38337 -38337 -5.2843 -11.825 0.25723 3.8149e+05 2024-05-17 20:18:30,656 INFO [main.py:798]
{rank 0/64} MD step = 218300 step time: 00:00:00.341946 Performance: 41.331 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:18:36,199 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 218300 43660 59.602 -31872 6532.5 -38404 -38404 -5.2828 -11.831 0.25556 3.8167e+05 2024-05-17 20:19:10,536 INFO [main.py:798]
{rank 0/64} MD step = 218400 step time: 00:00:00.353407 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:19:16,817 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 218400 43680 60.209 -31832 6598.9 -38430 -38430 -5.2784 -11.838 0.25472 3.8185e+05 2024-05-17 20:19:51,629 INFO [main.py:798]
{rank 0/64} MD step = 218500 step time: 00:00:00.336225 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:20:00,118 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 60.059 -31741 6582.6 -38324 -38324 -5.2762 -11.843 0.25421 3.8202e+05 2024-05-17 20:20:35,367 INFO [main.py:798]
{rank 0/64} MD step = 218600 step time: 00:00:00.353572 Performance: 41.331 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:20:43,004 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 218600 43720 59.724 -31960 6545.8 -38505 -38505 -5.2725 -11.848 0.2551 3.8219e+05 2024-05-17 20:21:17,184 INFO [main.py:798]
{rank 0/64} MD step = 218700 step time: 00:00:00.326046 Performance: 41.331 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:21:37,057 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 60.249 -31883 6603.3 -38487 -38487 -5.2708 -11.853 0.25358 3.8238e+05 2024-05-17 20:22:15,524 INFO [main.py:798]
{rank 0/64} MD step = 218800 step time: 00:00:00.342596 Performance: 41.324 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 20:22:21,487 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 218800 43760 58.789 -32227 6443.4 -38671 -38671 -5.2692 -11.859 0.25165 3.8252e+05 2024-05-17 20:22:56,207 INFO [main.py:798]
{rank 0/64} MD step = 218900 step time: 00:00:00.370584 Performance: 41.324 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 20:23:02,024 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 218900 43780 59.487 -31992 6519.8 -38511 -38511 -5.2669 -11.864 0.25287 3.827e+05 2024-05-17 20:23:36,252 INFO [main.py:798]
{rank 0/64} MD step = 219000 step time: 00:00:00.352572 Performance: 41.325 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 20:23:43,449 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 219000 43800 60.734 -31922 6656.5 -38578 -38578 -5.2644 -11.869 0.25259 3.8283e+05 2024-05-17 20:24:19,011 INFO [main.py:798]
{rank 0/64} MD step = 219100 step time: 00:00:00.353034 Performance: 41.325 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-17 20:24:25,200 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 219100 43820 59.798 -32009 6553.9 -38563 -38563 -5.2631 -11.874 0.2524 3.8302e+05 2024-05-17 20:24:59,387 INFO [main.py:798]
{rank 0/64} MD step = 219200 step time: 00:00:00.350805 Performance: 41.325 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:25:05,711 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 60.171 -31962 6594.8 -38556 -38556 -5.2593 -11.878 0.25108 3.832e+05 2024-05-17 20:25:40,114 INFO [main.py:798]
{rank 0/64} MD step = 219300 step time: 00:00:00.341192 Performance: 41.326 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:25:45,981 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 219300 43860 59.297 -32122 6499 -38621 -38621 -5.2562 -11.885 0.2514 3.8335e+05 2024-05-17 20:26:20,510 INFO [main.py:798]
{rank 0/64} MD step = 219400 step time: 00:00:00.355899 Performance: 41.326 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:26:27,671 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 61.211 -31787 6708.8 -38496 -38496 -5.2518 -11.89 0.25049 3.8356e+05 2024-05-17 20:27:02,021 INFO [main.py:798]
{rank 0/64} MD step = 219500 step time: 00:00:00.338161 Performance: 41.326 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:27:10,361 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 219500 43900 59.144 -31943 6482.3 -38425 -38425 -5.2491 -11.895 0.25059 3.8374e+05 2024-05-17 20:27:44,958 INFO [main.py:798]
{rank 0/64} MD step = 219600 step time: 00:00:00.349416 Performance: 41.326 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:27:50,446 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 59.444 -31998 6515.2 -38513 -38513 -5.2452 -11.901 0.25116 3.8391e+05 2024-05-17 20:28:24,946 INFO [main.py:798]
{rank 0/64} MD step = 219700 step time: 00:00:00.343862 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:28:30,572 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 59.891 -32017 6564.2 -38581 -38581 -5.2424 -11.907 0.2514 3.8409e+05 2024-05-17 20:29:04,516 INFO [main.py:798]
{rank 0/64} MD step = 219800 step time: 00:00:00.343069 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:29:10,161 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 60.256 -31883 6604.1 -38487 -38487 -5.2388 -11.913 0.2518 3.8426e+05 2024-05-17 20:29:44,677 INFO [main.py:798]
{rank 0/64} MD step = 219900 step time: 00:00:00.337137 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:29:49,843 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 59.513 -32041 6522.7 -38564 -38564 -5.2352 -11.918 0.2524 3.8444e+05 2024-05-17 20:30:24,114 INFO [main.py:798]
{rank 0/64} MD step = 220000 step time: 00:00:00.360981 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:30:29,830 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 220000 44000 60.871 -31788 6671.5 -38460 -38460 -5.2306 -11.924 0.2524 3.8463e+05 2024-05-17 20:31:05,487 INFO [main.py:798]
{rank 0/64} MD step = 220100 step time: 00:00:00.346687 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:31:11,219 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 220100 44020 59.389 -32100 6509.1 -38609 -38609 -5.2273 -11.93 0.25291 3.8476e+05 2024-05-17 20:31:45,626 INFO [main.py:798]
{rank 0/64} MD step = 220200 step time: 00:00:00.343015 Performance: 41.331 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:31:51,634 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 220200 44040 59.413 -31943 6511.7 -38455 -38455 -5.2236 -11.935 0.25339 3.8495e+05 2024-05-17 20:32:27,073 INFO [main.py:798]
{rank 0/64} MD step = 220300 step time: 00:00:00.344578 Performance: 41.331 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:32:33,176 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 220300 44060 59.664 -32045 6539.3 -38584 -38584 -5.2203 -11.939 0.25293 3.8513e+05 2024-05-17 20:33:07,351 INFO [main.py:798]
{rank 0/64} MD step = 220400 step time: 00:00:00.360350 Performance: 41.331 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:33:12,593 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 220400 44080 59.938 -31934 6569.3 -38503 -38503 -5.2172 -11.944 0.25192 3.8531e+05 2024-05-17 20:33:48,331 INFO [main.py:798]
{rank 0/64} MD step = 220500 step time: 00:00:00.350345 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:33:54,002 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 59.425 -32067 6513.1 -38580 -38580 -5.2131 -11.948 0.25173 3.8547e+05 2024-05-17 20:34:28,082 INFO [main.py:798]
{rank 0/64} MD step = 220600 step time: 00:00:00.335430 Performance: 41.333 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:34:36,925 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 59.84 -31919 6558.6 -38478 -38478 -5.2091 -11.955 0.24889 3.8567e+05 2024-05-17 20:35:10,536 INFO [main.py:798]
{rank 0/64} MD step = 220700 step time: 00:00:00.328390 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:35:18,877 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 220700 44140 58.911 -32012 6456.7 -38468 -38468 -5.2072 -11.962 0.24767 3.8585e+05 2024-05-17 20:35:54,081 INFO [main.py:798]
{rank 0/64} MD step = 220800 step time: 00:00:00.328194 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:36:00,781 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 59.917 -31936 6567 -38503 -38503 -5.204 -11.968 0.24739 3.8603e+05 2024-05-17 20:36:35,500 INFO [main.py:798]
{rank 0/64} MD step = 220900 step time: 00:00:00.329718 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:36:42,140 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 58.968 -32032 6463 -38495 -38495 -5.2004 -11.972 0.24819 3.8623e+05 2024-05-17 20:37:16,533 INFO [main.py:798]
{rank 0/64} MD step = 221000 step time: 00:00:00.337430 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:37:21,833 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221000 44200 60.021 -31845 6578.4 -38423 -38423 -5.1984 -11.977 0.24769 3.8642e+05 2024-05-17 20:37:56,645 INFO [main.py:798]
{rank 0/64} MD step = 221100 step time: 00:00:00.360430 Performance: 41.333 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:38:01,949 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 60.071 -32058 6583.8 -38642 -38642 -5.1931 -11.983 0.24819 3.8657e+05 2024-05-17 20:38:36,458 INFO [main.py:798]
{rank 0/64} MD step = 221200 step time: 00:00:00.335118 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:38:42,180 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 60.362 -31804 6615.8 -38420 -38420 -5.1892 -11.986 0.24962 3.8677e+05 2024-05-17 20:39:17,680 INFO [main.py:798]
{rank 0/64} MD step = 221300 step time: 00:00:00.327847 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:39:21,546 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221300 44260 60.336 -32008 6612.9 -38621 -38621 -5.188 -11.991 0.25095 3.8691e+05 2024-05-17 20:39:57,096 INFO [main.py:798]
{rank 0/64} MD step = 221400 step time: 00:00:00.335658 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:40:01,998 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221400 44280 59.597 -31986 6531.9 -38518 -38518 -5.1835 -11.997 0.25065 3.8708e+05 2024-05-17 20:40:36,699 INFO [main.py:798]
{rank 0/64} MD step = 221500 step time: 00:00:00.340150 Performance: 41.336 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:40:42,101 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 60.305 -32069 6609.5 -38679 -38679 -5.1784 -12.003 0.24942 3.8722e+05 2024-05-17 20:41:18,180 INFO [main.py:798]
{rank 0/64} MD step = 221600 step time: 00:00:00.328289 Performance: 41.336 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:41:24,790 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221600 44320 60.139 -32017 6591.3 -38608 -38608 -5.1746 -12.009 0.25167 3.8741e+05 2024-05-17 20:42:00,086 INFO [main.py:798]
{rank 0/64} MD step = 221700 step time: 00:00:00.355670 Performance: 41.336 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:42:08,629 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 61.231 -31936 6711 -38647 -38647 -5.1715 -12.014 0.25049 3.8759e+05 2024-05-17 20:42:43,606 INFO [main.py:798]
{rank 0/64} MD step = 221800 step time: 00:00:00.340352 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:42:51,324 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221800 44360 60.612 -31924 6643.1 -38567 -38567 -5.1685 -12.02 0.25106 3.8777e+05 2024-05-17 20:43:25,665 INFO [main.py:798]
{rank 0/64} MD step = 221900 step time: 00:00:00.352229 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:43:31,539 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221900 44380 59.631 -32090 6535.7 -38626 -38626 -5.1647 -12.025 0.25182 3.8795e+05 2024-05-17 20:44:06,250 INFO [main.py:798]
{rank 0/64} MD step = 222000 step time: 00:00:00.336708 Performance: 41.336 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:44:12,979 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222000 44400 59.746 -31972 6548.2 -38520 -38520 -5.1626 -12.03 0.25115 3.8811e+05 2024-05-17 20:44:49,564 INFO [main.py:798]
{rank 0/64} MD step = 222100 step time: 00:00:00.338528 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:44:55,218 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222100 44420 59.948 -32049 6570.3 -38619 -38619 -5.1609 -12.037 0.25086 3.8828e+05 2024-05-17 20:45:29,821 INFO [main.py:798]
{rank 0/64} MD step = 222200 step time: 00:00:00.328343 Performance: 41.336 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:45:34,696 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222200 44440 60.637 -31919 6645.9 -38565 -38565 -5.1586 -12.042 0.25001 3.8846e+05 2024-05-17 20:46:09,592 INFO [main.py:798]
{rank 0/64} MD step = 222300 step time: 00:00:00.346310 Performance: 41.337 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:46:13,799 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222300 44460 59.032 -32103 6469.9 -38573 -38573 -5.1554 -12.047 0.24925 3.8864e+05 2024-05-17 20:46:50,719 INFO [main.py:798]
{rank 0/64} MD step = 222400 step time: 00:00:00.357953 Performance: 41.337 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:46:56,454 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222400 44480 60.473 -31943 6628 -38570 -38570 -5.1521 -12.052 0.25043 3.8879e+05 2024-05-17 20:47:30,853 INFO [main.py:798]
{rank 0/64} MD step = 222500 step time: 00:00:00.351817 Performance: 41.338 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:47:35,487 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 59.036 -32197 6470.4 -38667 -38667 -5.1503 -12.056 0.2498 3.8894e+05 2024-05-17 20:48:10,753 INFO [main.py:798]
{rank 0/64} MD step = 222600 step time: 00:00:00.381619 Performance: 41.339 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:48:16,875 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222600 44520 60.354 -31946 6614.9 -38561 -38561 -5.1476 -12.062 0.25024 3.8916e+05 2024-05-17 20:48:52,068 INFO [main.py:798]
{rank 0/64} MD step = 222700 step time: 00:00:00.369395 Performance: 41.339 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:48:58,508 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222700 44540 59.42 -32132 6512.5 -38645 -38645 -5.144 -12.069 0.25055 3.8933e+05 2024-05-17 20:49:35,495 INFO [main.py:798]
{rank 0/64} MD step = 222800 step time: 00:00:00.373129 Performance: 41.338 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:49:44,137 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222800 44560 60.251 -31897 6603.6 -38500 -38500 -5.1403 -12.074 0.25026 3.8952e+05 2024-05-17 20:50:18,692 INFO [main.py:798]
{rank 0/64} MD step = 222900 step time: 00:00:00.349724 Performance: 41.338 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:50:28,210 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222900 44580 59.71 -32144 6544.3 -38688 -38688 -5.1382 -12.079 0.24889 3.8966e+05 2024-05-17 20:51:03,176 INFO [main.py:798]
{rank 0/64} MD step = 223000 step time: 00:00:00.351720 Performance: 41.336 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:51:10,785 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 223000 44600 59.27 -31980 6496 -38476 -38476 -5.1353 -12.084 0.24882 3.8982e+05 2024-05-17 20:51:45,169 INFO [main.py:798]
{rank 0/64} MD step = 223100 step time: 00:00:00.338679 Performance: 41.336 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:51:49,920 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 60.88 -31902 6672.6 -38575 -38575 -5.1323 -12.09 0.24839 3.8998e+05 2024-05-17 20:52:26,736 INFO [main.py:798]
{rank 0/64} MD step = 223200 step time: 00:00:00.360799 Performance: 41.336 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:52:31,621 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 223200 44640 59.805 -32031 6554.7 -38585 -38585 -5.1287 -12.094 0.24844 3.9016e+05 2024-05-17 20:53:06,617 INFO [main.py:798]
{rank 0/64} MD step = 223300 step time: 00:00:00.382543 Performance: 41.337 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:53:12,558 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 59.565 -31949 6528.4 -38477 -38477 -5.1256 -12.1 0.24775 3.9033e+05 2024-05-17 20:53:47,068 INFO [main.py:798]
{rank 0/64} MD step = 223400 step time: 00:00:00.351727 Performance: 41.338 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:53:52,359 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 59.266 -32171 6495.7 -38667 -38667 -5.1226 -12.105 0.24693 3.9045e+05 2024-05-17 20:54:26,893 INFO [main.py:798]
{rank 0/64} MD step = 223500 step time: 00:00:00.360900 Performance: 41.339 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:54:34,028 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 60.422 -31836 6622.4 -38458 -38458 -5.1191 -12.11 0.24638 3.9068e+05 2024-05-17 20:55:08,805 INFO [main.py:798]
{rank 0/64} MD step = 223600 step time: 00:00:00.352248 Performance: 41.339 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:55:17,131 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 223600 44720 60.807 -31817 6664.6 -38482 -38482 -5.1141 -12.114 0.24719 3.9085e+05 2024-05-17 20:55:51,380 INFO [main.py:798]
{rank 0/64} MD step = 223700 step time: 00:00:00.335268 Performance: 41.338 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:55:56,877 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 223700 44740 59.761 -32026 6549.8 -38576 -38576 -5.1096 -12.12 0.24736 3.9101e+05 2024-05-17 20:56:31,694 INFO [main.py:798]
{rank 0/64} MD step = 223800 step time: 00:00:00.347412 Performance: 41.339 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:56:37,742 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 60.248 -31968 6603.2 -38571 -38571 -5.1061 -12.124 0.24702 3.9119e+05 2024-05-17 20:57:12,432 INFO [main.py:798]
{rank 0/64} MD step = 223900 step time: 00:00:00.339440 Performance: 41.339 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:57:18,337 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 223900 44780 59.287 -32160 6497.9 -38658 -38658 -5.1042 -12.13 0.24634 3.9141e+05 2024-05-17 20:57:54,006 INFO [main.py:798]
{rank 0/64} MD step = 224000 step time: 00:00:00.371999 Performance: 41.340 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:57:59,711 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 59.676 -32020 6540.5 -38560 -38560 -5.1011 -12.137 0.24563 3.9157e+05 2024-05-17 20:58:34,408 INFO [main.py:798]
{rank 0/64} MD step = 224100 step time: 00:00:00.348866 Performance: 41.340 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:58:39,388 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 60.469 -31940 6627.5 -38567 -38567 -5.098 -12.145 0.24574 3.9173e+05 2024-05-17 20:59:13,910 INFO [main.py:798]
{rank 0/64} MD step = 224200 step time: 00:00:00.344165 Performance: 41.341 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:59:19,118 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224200 44840 59.64 -31938 6536.6 -38475 -38475 -5.0958 -12.151 0.24708 3.9191e+05 2024-05-17 20:59:53,997 INFO [main.py:798]
{rank 0/64} MD step = 224300 step time: 00:00:00.352737 Performance: 41.342 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 20:59:58,520 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 60.083 -31955 6585.1 -38540 -38540 -5.0936 -12.156 0.24701 3.9207e+05 2024-05-17 21:00:33,595 INFO [main.py:798]
{rank 0/64} MD step = 224400 step time: 00:00:00.350414 Performance: 41.343 ns/day 0.581 hours/ns 2.393 steps/s 2024-05-17 21:00:39,656 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224400 44880 59.848 -31957 6559.4 -38516 -38516 -5.0895 -12.161 0.24647 3.9222e+05 2024-05-17 21:01:13,801 INFO [main.py:798]
{rank 0/64} MD step = 224500 step time: 00:00:00.339167 Performance: 41.344 ns/day 0.581 hours/ns 2.393 steps/s 2024-05-17 21:01:18,407 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224500 44900 59.819 -31985 6556.3 -38542 -38542 -5.0861 -12.167 0.24611 3.9242e+05 2024-05-17 21:01:54,059 INFO [main.py:798]
{rank 0/64} MD step = 224600 step time: 00:00:00.346185 Performance: 41.344 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:02:01,301 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 60.107 -31697 6587.8 -38285 -38285 -5.0813 -12.172 0.2448 3.9263e+05 2024-05-17 21:02:35,591 INFO [main.py:798]
{rank 0/64} MD step = 224700 step time: 00:00:00.356057 Performance: 41.344 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:02:41,899 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224700 44940 59.417 -31941 6512.2 -38453 -38453 -5.0786 -12.178 0.24394 3.9279e+05 2024-05-17 21:03:16,933 INFO [main.py:798]
{rank 0/64} MD step = 224800 step time: 00:00:00.350418 Performance: 41.345 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:03:22,754 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224800 44960 59.895 -31898 6564.5 -38462 -38462 -5.0744 -12.183 0.24478 3.9296e+05 2024-05-17 21:03:57,465 INFO [main.py:798]
{rank 0/64} MD step = 224900 step time: 00:00:00.349008 Performance: 41.345 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:04:02,799 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224900 44980 59.38 -31958 6508.2 -38466 -38466 -5.0727 -12.189 0.2448 3.9314e+05 2024-05-17 21:04:38,076 INFO [main.py:798]
{rank 0/64} MD step = 225000 step time: 00:00:00.340175 Performance: 41.346 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:04:43,436 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 60.438 -31840 6624.1 -38464 -38464 -5.0696 -12.193 0.24295 3.9331e+05 2024-05-17 21:05:18,081 INFO [main.py:798]
{rank 0/64} MD step = 225100 step time: 00:00:00.349746 Performance: 41.346 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:05:23,546 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 60.665 -31786 6649 -38435 -38435 -5.0674 -12.197 0.24156 3.9351e+05 2024-05-17 21:05:58,807 INFO [main.py:798]
{rank 0/64} MD step = 225200 step time: 00:00:00.362895 Performance: 41.347 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:06:03,485 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 225200 45040 60.057 -31744 6582.3 -38326 -38326 -5.0656 -12.201 0.24131 3.9371e+05 2024-05-17 21:06:37,481 INFO [main.py:798]
{rank 0/64} MD step = 225300 step time: 00:00:00.343599 Performance: 41.348 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:06:42,915 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 60.034 -31857 6579.8 -38437 -38437 -5.062 -12.207 0.24173 3.9388e+05 2024-05-17 21:07:17,000 INFO [main.py:798]
{rank 0/64} MD step = 225400 step time: 00:00:00.347428 Performance: 41.349 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:07:23,436 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 59.486 -31907 6519.8 -38427 -38427 -5.0586 -12.213 0.24179 3.941e+05 2024-05-17 21:07:57,631 INFO [main.py:798]
{rank 0/64} MD step = 225500 step time: 00:00:00.348196 Performance: 41.350 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:08:03,651 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 225500 45100 60.595 -31845 6641.2 -38486 -38486 -5.0555 -12.218 0.24159 3.9425e+05 2024-05-17 21:08:38,245 INFO [main.py:798]
{rank 0/64} MD step = 225600 step time: 00:00:00.356522 Performance: 41.350 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:08:47,378 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 225600 45120 59.717 -31992 6545 -38537 -38537 -5.0536 -12.224 0.24158 3.9444e+05 2024-05-17 21:09:22,547 INFO [main.py:798]
{rank 0/64} MD step = 225700 step time: 00:00:00.355136 Performance: 41.349 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:09:28,428 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 59.913 -32037 6566.6 -38604 -38604 -5.0494 -12.229 0.24217 3.946e+05 2024-05-17 21:10:05,180 INFO [main.py:798]
{rank 0/64} MD step = 225800 step time: 00:00:00.341247 Performance: 41.349 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:10:13,278 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 60.067 -31887 6583.4 -38470 -38470 -5.0451 -12.236 0.24259 3.9477e+05 2024-05-17 21:10:49,291 INFO [main.py:798]
{rank 0/64} MD step = 225900 step time: 00:00:00.376446 Performance: 41.348 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:10:53,651 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 225900 45180 60.184 -31853 6596.2 -38450 -38450 -5.0417 -12.243 0.24367 3.9493e+05 2024-05-17 21:11:29,347 INFO [main.py:798]
{rank 0/64} MD step = 226000 step time: 00:00:00.352922 Performance: 41.349 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:11:35,079 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226000 45200 60.088 -31905 6585.7 -38491 -38491 -5.0397 -12.248 0.24445 3.9508e+05 2024-05-17 21:12:09,582 INFO [main.py:798]
{rank 0/64} MD step = 226100 step time: 00:00:00.352242 Performance: 41.349 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:12:14,687 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226100 45220 60.462 -31785 6626.7 -38411 -38411 -5.0361 -12.253 0.24571 3.9527e+05 2024-05-17 21:12:49,357 INFO [main.py:798]
{rank 0/64} MD step = 226200 step time: 00:00:00.340781 Performance: 41.350 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:13:00,601 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 59.789 -31960 6553 -38513 -38513 -5.0316 -12.258 0.24531 3.9545e+05 2024-05-17 21:13:35,144 INFO [main.py:798]
{rank 0/64} MD step = 226300 step time: 00:00:00.355619 Performance: 41.348 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:13:44,516 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 59.884 -32011 6563.4 -38574 -38574 -5.0283 -12.263 0.24603 3.9562e+05 2024-05-17 21:14:19,505 INFO [main.py:798]
{rank 0/64} MD step = 226400 step time: 00:00:00.357431 Performance: 41.347 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:14:25,415 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226400 45280 60.296 -31935 6608.5 -38544 -38544 -5.0256 -12.269 0.24576 3.9579e+05 2024-05-17 21:15:00,188 INFO [main.py:798]
{rank 0/64} MD step = 226500 step time: 00:00:00.344362 Performance: 41.348 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:15:06,315 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226500 45300 60.403 -31828 6620.2 -38448 -38448 -5.0228 -12.274 0.2447 3.9598e+05 2024-05-17 21:15:41,342 INFO [main.py:798]
{rank 0/64} MD step = 226600 step time: 00:00:00.353751 Performance: 41.348 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:15:47,095 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226600 45320 60.305 -31976 6609.5 -38586 -38586 -5.0184 -12.279 0.2463 3.9612e+05 2024-05-17 21:16:21,175 INFO [main.py:798]
{rank 0/64} MD step = 226700 step time: 00:00:00.337848 Performance: 41.349 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:16:26,327 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226700 45340 59.823 -31974 6556.6 -38531 -38531 -5.0105 -12.284 0.24504 3.9633e+05 2024-05-17 21:17:01,325 INFO [main.py:798]
{rank 0/64} MD step = 226800 step time: 00:00:00.347352 Performance: 41.350 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:17:07,223 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 59.686 -32045 6541.7 -38586 -38586 -5.0079 -12.29 0.24485 3.9648e+05 2024-05-17 21:17:41,750 INFO [main.py:798]
{rank 0/64} MD step = 226900 step time: 00:00:00.333667 Performance: 41.350 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:17:47,479 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226900 45380 59.643 -32040 6537 -38577 -38577 -5.0044 -12.295 0.24356 3.9668e+05 2024-05-17 21:18:22,593 INFO [main.py:798]
{rank 0/64} MD step = 227000 step time: 00:00:00.333620 Performance: 41.351 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:18:28,900 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 227000 45400 60.304 -31923 6609.4 -38533 -38533 -4.9991 -12.302 0.24308 3.9689e+05 2024-05-17 21:19:06,293 INFO [main.py:798]
{rank 0/64} MD step = 227100 step time: 00:00:00.343537 Performance: 41.350 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:19:11,852 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 59.898 -31973 6564.9 -38538 -38538 -4.9967 -12.306 0.24245 3.9706e+05 2024-05-17 21:19:46,741 INFO [main.py:798]
{rank 0/64} MD step = 227200 step time: 00:00:00.345298 Performance: 41.350 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:19:50,393 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 60.271 -31952 6605.8 -38558 -38558 -4.9949 -12.313 0.24158 3.9723e+05 2024-05-17 21:20:26,629 INFO [main.py:798]
{rank 0/64} MD step = 227300 step time: 00:00:00.344435 Performance: 41.351 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:20:31,750 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 58.982 -31968 6464.5 -38432 -38432 -4.9902 -12.319 0.24185 3.9741e+05 2024-05-17 21:21:06,727 INFO [main.py:798]
{rank 0/64} MD step = 227400 step time: 00:00:00.347028 Performance: 41.352 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:21:12,007 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 59.331 -32029 6502.8 -38532 -38532 -4.9857 -12.326 0.24153 3.9759e+05 2024-05-17 21:21:46,761 INFO [main.py:798]
{rank 0/64} MD step = 227500 step time: 00:00:00.342937 Performance: 41.353 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:21:50,800 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 227500 45500 59.874 -31946 6562.3 -38508 -38508 -4.9837 -12.332 0.24123 3.9774e+05 2024-05-17 21:22:27,912 INFO [main.py:798]
{rank 0/64} MD step = 227600 step time: 00:00:00.334100 Performance: 41.353 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:22:33,461 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 227600 45520 60.249 -31981 6603.4 -38585 -38585 -4.9809 -12.335 0.24188 3.9793e+05 2024-05-17 21:23:08,624 INFO [main.py:798]
{rank 0/64} MD step = 227700 step time: 00:00:00.334052 Performance: 41.353 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:23:14,260 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 227700 45540 59.544 -31954 6526.1 -38480 -38480 -4.9786 -12.339 0.24379 3.9812e+05 2024-05-17 21:23:48,311 INFO [main.py:798]
{rank 0/64} MD step = 227800 step time: 00:00:00.345180 Performance: 41.354 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:23:53,402 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 227800 45560 60.71 -31786 6653.9 -38440 -38440 -4.9748 -12.343 0.24633 3.9829e+05 2024-05-17 21:24:29,180 INFO [main.py:798]
{rank 0/64} MD step = 227900 step time: 00:00:00.327254 Performance: 41.355 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:24:37,878 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 59.171 -31970 6485.2 -38455 -38455 -4.9705 -12.347 0.2454 3.9847e+05 2024-05-17 21:25:13,256 INFO [main.py:798]
{rank 0/64} MD step = 228000 step time: 00:00:00.349043 Performance: 41.354 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:25:25,658 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228000 45600 59.968 -31875 6572.5 -38447 -38447 -4.9661 -12.354 0.24655 3.9867e+05 2024-05-17 21:26:00,262 INFO [main.py:798]
{rank 0/64} MD step = 228100 step time: 00:00:00.349217 Performance: 41.351 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:26:09,622 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228100 45620 59.666 -31933 6539.5 -38473 -38473 -4.9639 -12.36 0.2473 3.9882e+05 2024-05-17 21:26:44,122 INFO [main.py:798]
{rank 0/64} MD step = 228200 step time: 00:00:00.345302 Performance: 41.351 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:26:50,658 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228200 45640 59.22 -31984 6490.6 -38475 -38475 -4.9586 -12.364 0.24715 3.99e+05 2024-05-17 21:27:25,356 INFO [main.py:798]
{rank 0/64} MD step = 228300 step time: 00:00:00.353802 Performance: 41.351 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:27:31,099 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 59.367 -31982 6506.7 -38489 -38489 -4.9546 -12.368 0.24466 3.9917e+05 2024-05-17 21:28:07,224 INFO [main.py:798]
{rank 0/64} MD step = 228400 step time: 00:00:00.350623 Performance: 41.351 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:28:13,841 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 59.348 -31991 6504.6 -38496 -38496 -4.9497 -12.373 0.24443 3.9935e+05 2024-05-17 21:28:48,341 INFO [main.py:798]
{rank 0/64} MD step = 228500 step time: 00:00:00.354527 Performance: 41.351 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:28:52,367 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228500 45700 60.623 -31792 6644.3 -38436 -38436 -4.9475 -12.379 0.24407 3.9955e+05 2024-05-17 21:29:28,597 INFO [main.py:798]
{rank 0/64} MD step = 228600 step time: 00:00:00.353170 Performance: 41.352 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:29:37,291 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228600 45720 60.173 -31844 6595 -38439 -38439 -4.9442 -12.383 0.24373 3.9973e+05 2024-05-17 21:30:13,096 INFO [main.py:798]
{rank 0/64} MD step = 228700 step time: 00:00:00.365285 Performance: 41.351 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:30:20,626 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228700 45740 59.992 -32030 6575.2 -38605 -38605 -4.9412 -12.387 0.24499 3.9987e+05 2024-05-17 21:30:55,203 INFO [main.py:798]
{rank 0/64} MD step = 228800 step time: 00:00:00.354091 Performance: 41.350 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:31:01,556 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228800 45760 59.506 -31960 6522 -38482 -38482 -4.9395 -12.392 0.24466 4.001e+05 2024-05-17 21:31:35,781 INFO [main.py:798]
{rank 0/64} MD step = 228900 step time: 00:00:00.375804 Performance: 41.351 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:31:41,284 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228900 45780 60.717 -31726 6654.6 -38380 -38380 -4.9364 -12.398 0.2456 4.003e+05 2024-05-17 21:32:16,270 INFO [main.py:798]
{rank 0/64} MD step = 229000 step time: 00:00:00.337126 Performance: 41.352 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:32:27,135 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229000 45800 60.185 -31887 6596.3 -38483 -38483 -4.9321 -12.402 0.24596 4.0046e+05 2024-05-17 21:33:01,622 INFO [main.py:798]
{rank 0/64} MD step = 229100 step time: 00:00:00.349924 Performance: 41.350 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:33:09,154 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 59.691 -31876 6542.2 -38419 -38419 -4.9279 -12.406 0.24735 4.0062e+05 2024-05-17 21:33:44,379 INFO [main.py:798]
{rank 0/64} MD step = 229200 step time: 00:00:00.380040 Performance: 41.350 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:33:50,732 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229200 45840 60.246 -31850 6603.1 -38453 -38453 -4.9254 -12.41 0.24739 4.0079e+05 2024-05-17 21:34:26,422 INFO [main.py:798]
{rank 0/64} MD step = 229300 step time: 00:00:00.354358 Performance: 41.349 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:34:34,111 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229300 45860 60.677 -31787 6650.2 -38437 -38437 -4.9216 -12.415 0.24775 4.0096e+05 2024-05-17 21:35:08,868 INFO [main.py:798]
{rank 0/64} MD step = 229400 step time: 00:00:00.338447 Performance: 41.349 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:35:14,453 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 59.533 -32015 6524.9 -38540 -38540 -4.9166 -12.421 0.24676 4.0114e+05 2024-05-17 21:35:48,987 INFO [main.py:798]
{rank 0/64} MD step = 229500 step time: 00:00:00.349685 Performance: 41.350 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:35:53,287 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 60.243 -31872 6602.7 -38475 -38475 -4.9108 -12.427 0.24817 4.013e+05 2024-05-17 21:36:29,331 INFO [main.py:798]
{rank 0/64} MD step = 229600 step time: 00:00:00.340906 Performance: 41.350 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:36:35,400 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229600 45920 59.682 -31888 6541.2 -38430 -38430 -4.9077 -12.434 0.24723 4.015e+05 2024-05-17 21:37:09,884 INFO [main.py:798]
{rank 0/64} MD step = 229700 step time: 00:00:00.380806 Performance: 41.351 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:37:16,387 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229700 45940 60.66 -31796 6648.4 -38444 -38444 -4.9072 -12.439 0.24697 4.0167e+05 2024-05-17 21:37:51,054 INFO [main.py:798]
{rank 0/64} MD step = 229800 step time: 00:00:00.346272 Performance: 41.351 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:37:56,884 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 59.226 -31975 6491.2 -38466 -38466 -4.9029 -12.445 0.24758 4.0185e+05 2024-05-17 21:38:31,633 INFO [main.py:798]
{rank 0/64} MD step = 229900 step time: 00:00:00.339338 Performance: 41.352 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:38:37,585 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229900 45980 60.022 -31842 6578.4 -38421 -38421 -4.901 -12.451 0.24737 4.0202e+05 2024-05-17 21:39:12,128 INFO [main.py:798]
{rank 0/64} MD step = 230000 step time: 00:00:00.351097 Performance: 41.352 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:39:18,975 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 230000 46000 59.424 -31865 6513 -38378 -38378 -4.8976 -12.455 0.24654 4.022e+05 2024-05-17 21:39:54,287 INFO [main.py:798]
{rank 0/64} MD step = 230100 step time: 00:00:00.340358 Performance: 41.352 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:40:03,511 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 230100 46020 60.139 -31757 6591.3 -38349 -38349 -4.8953 -12.461 0.24695 4.0238e+05 2024-05-17 21:40:40,433 INFO [main.py:798]
{rank 0/64} MD step = 230200 step time: 00:00:00.351973 Performance: 41.350 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:40:51,511 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 230200 46040 60.362 -31864 6615.8 -38480 -38480 -4.8899 -12.466 0.24629 4.0253e+05 2024-05-17 21:41:27,142 INFO [main.py:798]
{rank 0/64} MD step = 230300 step time: 00:00:00.370885 Performance: 41.348 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:41:32,903 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 230300 46060 60.67 -31722 6649.5 -38372 -38372 -4.8864 -12.472 0.24605 4.0273e+05 2024-05-17 21:42:09,455 INFO [main.py:798]
{rank 0/64} MD step = 230400 step time: 00:00:00.350329 Performance: 41.348 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:42:15,029 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 230400 46080 60.195 -31872 6597.5 -38469 -38469 -4.8827 -12.477 0.24499 4.0288e+05 2024-05-17 21:42:49,520 INFO [main.py:798]
{rank 0/64} MD step = 230500 step time: 00:00:00.359558 Performance: 41.349 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:42:54,925 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 230500 46100 59.915 -31690 6566.8 -38257 -38257 -4.8758 -12.483 0.24527 4.0307e+05 2024-05-17 21:43:29,391 INFO [main.py:798]
{rank 0/64} MD step = 230600 step time: 00:00:00.353156 Performance: 41.350 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:43:35,283 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 60.603 -31731 6642.2 -38373 -38373 -4.8736 -12.488 0.24472 4.0323e+05 2024-05-17 21:44:09,500 INFO [main.py:798]
{rank 0/64} MD step = 230700 step time: 00:00:00.339136 Performance: 41.350 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:44:14,244 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 60.702 -31764 6653.1 -38417 -38417 -4.87 -12.494 0.24407 4.0341e+05 2024-05-17 21:44:50,821 INFO [main.py:798]
{rank 0/64} MD step = 230800 step time: 00:00:00.383979 Performance: 41.350 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:44:57,113 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 60.146 -31796 6592.1 -38389 -38389 -4.868 -12.5 0.24481 4.0357e+05 2024-05-17 21:45:31,566 INFO [main.py:798]
{rank 0/64} MD step = 230900 step time: 00:00:00.349625 Performance: 41.351 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:45:37,379 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 230900 46180 60.317 -31822 6610.9 -38433 -38433 -4.8653 -12.504 0.24502 4.0378e+05 2024-05-17 21:46:12,181 INFO [main.py:798]
{rank 0/64} MD step = 231000 step time: 00:00:00.340130 Performance: 41.351 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:46:18,533 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231000 46200 59.939 -31808 6569.4 -38377 -38377 -4.86 -12.511 0.24586 4.0392e+05 2024-05-17 21:46:53,433 INFO [main.py:798]
{rank 0/64} MD step = 231100 step time: 00:00:00.341259 Performance: 41.352 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:47:02,215 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231100 46220 59.925 -31815 6567.9 -38382 -38382 -4.8563 -12.515 0.24512 4.0412e+05 2024-05-17 21:47:37,874 INFO [main.py:798]
{rank 0/64} MD step = 231200 step time: 00:00:00.331227 Performance: 41.351 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:47:45,581 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231200 46240 60.277 -31672 6606.4 -38278 -38278 -4.8539 -12.521 0.24494 4.043e+05 2024-05-17 21:48:20,593 INFO [main.py:798]
{rank 0/64} MD step = 231300 step time: 00:00:00.331503 Performance: 41.350 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:48:26,463 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 60.773 -31779 6660.8 -38439 -38439 -4.851 -12.526 0.24587 4.0447e+05 2024-05-17 21:49:00,406 INFO [main.py:798]
{rank 0/64} MD step = 231400 step time: 00:00:00.353249 Performance: 41.351 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:49:06,513 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231400 46280 60.449 -31625 6625.3 -38250 -38250 -4.8461 -12.53 0.24514 4.0467e+05 2024-05-17 21:49:41,137 INFO [main.py:798]
{rank 0/64} MD step = 231500 step time: 00:00:00.361526 Performance: 41.351 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:49:47,464 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231500 46300 59.859 -31834 6560.6 -38395 -38395 -4.8404 -12.535 0.24535 4.0483e+05 2024-05-17 21:50:22,495 INFO [main.py:798]
{rank 0/64} MD step = 231600 step time: 00:00:00.352010 Performance: 41.352 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:50:28,340 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 60.232 -31735 6601.5 -38337 -38337 -4.8362 -12.54 0.2454 4.0498e+05 2024-05-17 21:51:02,956 INFO [main.py:798]
{rank 0/64} MD step = 231700 step time: 00:00:00.349420 Performance: 41.352 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:51:07,295 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231700 46340 60.137 -31890 6591.1 -38481 -38481 -4.8307 -12.545 0.24546 4.0513e+05 2024-05-17 21:51:43,052 INFO [main.py:798]
{rank 0/64} MD step = 231800 step time: 00:00:00.346559 Performance: 41.353 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:51:49,500 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231800 46360 60.085 -31768 6585.4 -38354 -38354 -4.8267 -12.549 0.24282 4.0531e+05 2024-05-17 21:52:24,172 INFO [main.py:798]
{rank 0/64} MD step = 231900 step time: 00:00:00.357328 Performance: 41.353 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:52:30,007 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231900 46380 60.607 -31711 6642.6 -38354 -38354 -4.8229 -12.553 0.24291 4.0545e+05 2024-05-17 21:53:04,391 INFO [main.py:798]
{rank 0/64} MD step = 232000 step time: 00:00:00.349209 Performance: 41.354 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:53:08,834 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 61.388 -31667 6728.3 -38395 -38395 -4.8198 -12.557 0.24232 4.0564e+05 2024-05-17 21:53:45,261 INFO [main.py:798]
{rank 0/64} MD step = 232100 step time: 00:00:00.365491 Performance: 41.354 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:53:54,077 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 60.704 -31846 6653.3 -38499 -38499 -4.8178 -12.564 0.24356 4.0579e+05 2024-05-17 21:54:28,996 INFO [main.py:798]
{rank 0/64} MD step = 232200 step time: 00:00:00.350889 Performance: 41.353 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:54:35,816 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 232200 46440 59.513 -31900 6522.7 -38423 -38423 -4.814 -12.569 0.24428 4.0598e+05 2024-05-17 21:55:10,027 INFO [main.py:798]
{rank 0/64} MD step = 232300 step time: 00:00:00.351009 Performance: 41.354 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:55:15,869 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 232300 46460 60.415 -31803 6621.6 -38425 -38425 -4.8108 -12.573 0.24436 4.0616e+05 2024-05-17 21:55:51,403 INFO [main.py:798]
{rank 0/64} MD step = 232400 step time: 00:00:00.337687 Performance: 41.354 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:55:56,911 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 60.173 -31893 6595 -38488 -38488 -4.8088 -12.58 0.24471 4.0631e+05 2024-05-17 21:56:31,712 INFO [main.py:798]
{rank 0/64} MD step = 232500 step time: 00:00:00.354551 Performance: 41.355 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:56:37,529 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 232500 46500 60.515 -31841 6632.6 -38473 -38473 -4.8078 -12.584 0.24388 4.0649e+05 2024-05-17 21:57:12,515 INFO [main.py:798]
{rank 0/64} MD step = 232600 step time: 00:00:00.379666 Performance: 41.355 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:57:19,647 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 60.067 -31789 6583.4 -38372 -38372 -4.8041 -12.589 0.2439 4.0671e+05 2024-05-17 21:57:54,311 INFO [main.py:798]
{rank 0/64} MD step = 232700 step time: 00:00:00.351923 Performance: 41.355 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:58:00,507 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 232700 46540 60.779 -31761 6661.5 -38423 -38423 -4.8022 -12.595 0.24279 4.0686e+05 2024-05-17 21:58:35,440 INFO [main.py:798]
{rank 0/64} MD step = 232800 step time: 00:00:00.344883 Performance: 41.355 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:58:41,464 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 232800 46560 60.82 -31859 6665.9 -38525 -38525 -4.7991 -12.599 0.24504 4.0703e+05 2024-05-17 21:59:15,998 INFO [main.py:798]
{rank 0/64} MD step = 232900 step time: 00:00:00.359165 Performance: 41.356 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 21:59:22,370 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 60.099 -31765 6586.9 -38352 -38352 -4.7953 -12.605 0.24535 4.0721e+05 2024-05-17 21:59:56,929 INFO [main.py:798]
{rank 0/64} MD step = 233000 step time: 00:00:00.358152 Performance: 41.356 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:00:02,956 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 59.935 -31957 6569 -38525 -38525 -4.7922 -12.611 0.24592 4.0737e+05 2024-05-17 22:00:37,890 INFO [main.py:798]
{rank 0/64} MD step = 233100 step time: 00:00:00.359133 Performance: 41.356 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:00:45,049 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 60.188 -31838 6596.7 -38434 -38434 -4.7879 -12.614 0.24653 4.0757e+05 2024-05-17 22:01:19,509 INFO [main.py:798]
{rank 0/64} MD step = 233200 step time: 00:00:00.354483 Performance: 41.357 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:01:26,556 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 59.636 -31798 6536.1 -38334 -38334 -4.7859 -12.621 0.2462 4.0776e+05 2024-05-17 22:02:01,304 INFO [main.py:798]
{rank 0/64} MD step = 233300 step time: 00:00:00.348266 Performance: 41.357 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:02:06,712 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 233300 46660 60.159 -31822 6593.5 -38416 -38416 -4.7837 -12.627 0.24632 4.079e+05 2024-05-17 22:02:43,461 INFO [main.py:798]
{rank 0/64} MD step = 233400 step time: 00:00:00.332643 Performance: 41.356 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:02:51,541 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 233400 46680 59.827 -31932 6557.1 -38489 -38489 -4.7806 -12.633 0.24613 4.0805e+05 2024-05-17 22:03:26,711 INFO [main.py:798]
{rank 0/64} MD step = 233500 step time: 00:00:00.347349 Performance: 41.356 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:03:32,910 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 233500 46700 60.571 -31805 6638.6 -38444 -38444 -4.7778 -12.638 0.24535 4.0827e+05 2024-05-17 22:04:07,411 INFO [main.py:798]
{rank 0/64} MD step = 233600 step time: 00:00:00.383751 Performance: 41.356 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:04:11,821 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 233600 46720 59.805 -32006 6554.7 -38560 -38560 -4.7732 -12.643 0.24542 4.084e+05 2024-05-17 22:04:46,331 INFO [main.py:798]
{rank 0/64} MD step = 233700 step time: 00:00:00.354099 Performance: 41.357 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:04:56,149 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 60.059 -32031 6582.6 -38614 -38614 -4.7701 -12.646 0.24537 4.0855e+05 2024-05-17 22:05:30,222 INFO [main.py:798]
{rank 0/64} MD step = 233800 step time: 00:00:00.351818 Performance: 41.357 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:05:35,436 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 233800 46760 59.168 -31983 6484.9 -38468 -38468 -4.7646 -12.653 0.24387 4.0878e+05 2024-05-17 22:06:10,087 INFO [main.py:798]
{rank 0/64} MD step = 233900 step time: 00:00:00.371313 Performance: 41.357 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:06:15,130 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 59.271 -31966 6496.2 -38462 -38462 -4.7608 -12.659 0.24379 4.0898e+05 2024-05-17 22:06:49,549 INFO [main.py:798]
{rank 0/64} MD step = 234000 step time: 00:00:00.346662 Performance: 41.358 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:06:54,340 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234000 46800 59.995 -32001 6575.6 -38577 -38577 -4.7573 -12.665 0.24516 4.0918e+05 2024-05-17 22:07:28,998 INFO [main.py:798]
{rank 0/64} MD step = 234100 step time: 00:00:00.362651 Performance: 41.359 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:07:34,677 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 59.463 -31952 6517.3 -38469 -38469 -4.7541 -12.671 0.24398 4.0933e+05 2024-05-17 22:08:10,344 INFO [main.py:798]
{rank 0/64} MD step = 234200 step time: 00:00:00.360612 Performance: 41.359 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:08:18,382 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234200 46840 59.708 -31914 6544 -38458 -38458 -4.7502 -12.678 0.24236 4.0949e+05 2024-05-17 22:08:53,991 INFO [main.py:798]
{rank 0/64} MD step = 234300 step time: 00:00:00.370468 Performance: 41.359 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:09:03,065 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 59.449 -32018 6515.7 -38534 -38534 -4.7468 -12.684 0.24195 4.0967e+05 2024-05-17 22:09:38,988 INFO [main.py:798]
{rank 0/64} MD step = 234400 step time: 00:00:00.357704 Performance: 41.357 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:09:45,031 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234400 46880 60.105 -32036 6587.5 -38623 -38623 -4.7418 -12.688 0.24201 4.0984e+05 2024-05-17 22:10:19,719 INFO [main.py:798]
{rank 0/64} MD step = 234500 step time: 00:00:00.350919 Performance: 41.358 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:10:25,564 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 59.949 -31954 6570.4 -38525 -38525 -4.7387 -12.692 0.24245 4.1002e+05 2024-05-17 22:11:00,071 INFO [main.py:798]
{rank 0/64} MD step = 234600 step time: 00:00:00.350958 Performance: 41.358 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:11:05,830 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 59.138 -32035 6481.6 -38517 -38517 -4.7348 -12.696 0.24133 4.1021e+05 2024-05-17 22:11:42,330 INFO [main.py:798]
{rank 0/64} MD step = 234700 step time: 00:00:00.374196 Performance: 41.358 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:11:47,177 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234700 46940 59.952 -32016 6570.8 -38587 -38587 -4.7317 -12.703 0.24146 4.104e+05 2024-05-17 22:12:22,725 INFO [main.py:798]
{rank 0/64} MD step = 234800 step time: 00:00:00.354560 Performance: 41.359 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:12:30,596 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234800 46960 59.852 -31924 6559.9 -38484 -38484 -4.728 -12.708 0.24144 4.1056e+05 2024-05-17 22:13:06,622 INFO [main.py:798]
{rank 0/64} MD step = 234900 step time: 00:00:00.355778 Performance: 41.358 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:13:15,077 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234900 46980 59.682 -32138 6541.2 -38680 -38680 -4.7261 -12.713 0.24065 4.1072e+05 2024-05-17 22:13:51,643 INFO [main.py:798]
{rank 0/64} MD step = 235000 step time: 00:00:00.327570 Performance: 41.357 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:14:01,354 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235000 47000 60.267 -31864 6605.3 -38469 -38469 -4.724 -12.718 0.24166 4.1092e+05 2024-05-17 22:14:37,196 INFO [main.py:798]
{rank 0/64} MD step = 235100 step time: 00:00:00.326632 Performance: 41.355 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:14:43,024 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 60.51 -31892 6631.9 -38524 -38524 -4.719 -12.723 0.23979 4.1111e+05 2024-05-17 22:15:21,797 INFO [main.py:798]
{rank 0/64} MD step = 235200 step time: 00:00:00.342779 Performance: 41.354 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:15:29,451 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235200 47040 59.803 -32031 6554.5 -38586 -38586 -4.7163 -12.729 0.23978 4.1129e+05 2024-05-17 22:16:04,103 INFO [main.py:798]
{rank 0/64} MD step = 235300 step time: 00:00:00.345943 Performance: 41.354 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:16:09,663 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235300 47060 60.252 -31862 6603.7 -38466 -38466 -4.713 -12.733 0.23893 4.1144e+05 2024-05-17 22:16:45,318 INFO [main.py:798]
{rank 0/64} MD step = 235400 step time: 00:00:00.375164 Performance: 41.354 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:16:52,498 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235400 47080 59.932 -31922 6568.6 -38491 -38491 -4.7087 -12.739 0.23788 4.1164e+05 2024-05-17 22:17:26,928 INFO [main.py:798]
{rank 0/64} MD step = 235500 step time: 00:00:00.343944 Performance: 41.354 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:17:33,591 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 59.756 -31936 6549.3 -38485 -38485 -4.7033 -12.744 0.23626 4.1181e+05 2024-05-17 22:18:08,506 INFO [main.py:798]
{rank 0/64} MD step = 235600 step time: 00:00:00.352021 Performance: 41.354 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:18:14,930 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235600 47120 60.929 -31699 6677.9 -38376 -38376 -4.6983 -12.749 0.23571 4.1197e+05 2024-05-17 22:18:50,626 INFO [main.py:798]
{rank 0/64} MD step = 235700 step time: 00:00:00.354461 Performance: 41.354 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:18:56,770 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 59.854 -31894 6560.1 -38454 -38454 -4.6944 -12.754 0.23569 4.1214e+05 2024-05-17 22:19:31,890 INFO [main.py:798]
{rank 0/64} MD step = 235800 step time: 00:00:00.356555 Performance: 41.354 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:19:38,074 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235800 47160 60.202 -31854 6598.2 -38453 -38453 -4.6907 -12.758 0.23458 4.123e+05 2024-05-17 22:20:12,952 INFO [main.py:798]
{rank 0/64} MD step = 235900 step time: 00:00:00.344762 Performance: 41.354 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:20:17,814 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235900 47180 60.983 -31747 6683.8 -38430 -38430 -4.6867 -12.764 0.23434 4.1249e+05 2024-05-17 22:20:53,718 INFO [main.py:798]
{rank 0/64} MD step = 236000 step time: 00:00:00.371668 Performance: 41.355 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:21:02,067 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 59.744 -31818 6548 -38366 -38366 -4.6824 -12.769 0.23262 4.1266e+05 2024-05-17 22:21:37,282 INFO [main.py:798]
{rank 0/64} MD step = 236100 step time: 00:00:00.378972 Performance: 41.354 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:21:50,657 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 60.746 -31956 6657.8 -38614 -38614 -4.678 -12.773 0.23392 4.1282e+05 2024-05-17 22:22:24,862 INFO [main.py:798]
{rank 0/64} MD step = 236200 step time: 00:00:00.349966 Performance: 41.352 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:22:31,550 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 59.441 -31928 6514.8 -38443 -38443 -4.6747 -12.778 0.23435 4.1304e+05 2024-05-17 22:23:05,167 INFO [main.py:798]
{rank 0/64} MD step = 236300 step time: 00:00:00.333225 Performance: 41.352 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:23:11,336 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 236300 47260 59.652 -32019 6538 -38557 -38557 -4.6721 -12.784 0.23479 4.1319e+05 2024-05-17 22:23:46,072 INFO [main.py:798]
{rank 0/64} MD step = 236400 step time: 00:00:00.326981 Performance: 41.353 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:23:51,272 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 236400 47280 59.41 -32042 6511.4 -38553 -38553 -4.6685 -12.789 0.23516 4.1337e+05 2024-05-17 22:24:25,349 INFO [main.py:798]
{rank 0/64} MD step = 236500 step time: 00:00:00.328906 Performance: 41.354 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:24:30,436 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 236500 47300 60.342 -31868 6613.5 -38481 -38481 -4.6641 -12.794 0.23438 4.1354e+05 2024-05-17 22:25:06,444 INFO [main.py:798]
{rank 0/64} MD step = 236600 step time: 00:00:00.345481 Performance: 41.354 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:25:11,682 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 59.91 -31874 6566.2 -38440 -38440 -4.6607 -12.8 0.23587 4.1374e+05 2024-05-17 22:25:46,575 INFO [main.py:798]
{rank 0/64} MD step = 236700 step time: 00:00:00.337849 Performance: 41.355 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:25:51,965 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 236700 47340 59.939 -31896 6569.4 -38466 -38466 -4.6582 -12.805 0.23586 4.1391e+05 2024-05-17 22:26:26,609 INFO [main.py:798]
{rank 0/64} MD step = 236800 step time: 00:00:00.350464 Performance: 41.355 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:26:33,081 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 236800 47360 60.513 -31789 6632.3 -38421 -38421 -4.6541 -12.809 0.23647 4.1406e+05 2024-05-17 22:27:08,683 INFO [main.py:798]
{rank 0/64} MD step = 236900 step time: 00:00:00.329636 Performance: 41.355 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:27:14,559 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 60.924 -31898 6677.3 -38576 -38576 -4.6476 -12.814 0.23826 4.1423e+05 2024-05-17 22:27:50,037 INFO [main.py:798]
{rank 0/64} MD step = 237000 step time: 00:00:00.350003 Performance: 41.355 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:27:58,447 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 60.613 -31834 6643.3 -38477 -38477 -4.6436 -12.819 0.23778 4.1442e+05 2024-05-17 22:28:33,464 INFO [main.py:798]
{rank 0/64} MD step = 237100 step time: 00:00:00.347010 Performance: 41.355 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:28:38,549 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 237100 47420 60.216 -31837 6599.8 -38437 -38437 -4.6409 -12.824 0.23971 4.1461e+05 2024-05-17 22:29:16,404 INFO [main.py:798]
{rank 0/64} MD step = 237200 step time: 00:00:00.375729 Performance: 41.354 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:29:21,896 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 237200 47440 60.256 -31969 6604.1 -38573 -38573 -4.6371 -12.83 0.23942 4.1475e+05 2024-05-17 22:29:56,532 INFO [main.py:798]
{rank 0/64} MD step = 237300 step time: 00:00:00.360378 Performance: 41.355 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:30:01,888 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 237300 47460 60.174 -31915 6595.1 -38510 -38510 -4.6327 -12.836 0.23955 4.1496e+05 2024-05-17 22:30:36,468 INFO [main.py:798]
{rank 0/64} MD step = 237400 step time: 00:00:00.351324 Performance: 41.356 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:30:41,768 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 58.925 -32030 6458.3 -38488 -38488 -4.6297 -12.842 0.23975 4.1512e+05 2024-05-17 22:31:16,425 INFO [main.py:798]
{rank 0/64} MD step = 237500 step time: 00:00:00.371635 Performance: 41.356 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:31:21,544 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 237500 47500 60.248 -31967 6603.2 -38570 -38570 -4.6244 -12.847 0.24058 4.1531e+05 2024-05-17 22:31:55,839 INFO [main.py:798]
{rank 0/64} MD step = 237600 step time: 00:00:00.337632 Performance: 41.357 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:32:04,917 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 59.714 -32044 6544.8 -38589 -38589 -4.6221 -12.853 0.24222 4.1546e+05 2024-05-17 22:32:39,402 INFO [main.py:798]
{rank 0/64} MD step = 237700 step time: 00:00:00.370310 Performance: 41.357 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:32:45,098 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 59.855 -31986 6560.2 -38547 -38547 -4.6181 -12.86 0.24328 4.1568e+05 2024-05-17 22:33:20,162 INFO [main.py:798]
{rank 0/64} MD step = 237800 step time: 00:00:00.342451 Performance: 41.357 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:33:26,600 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 237800 47560 60.573 -31686 6638.8 -38325 -38325 -4.614 -12.866 0.24621 4.1586e+05 2024-05-17 22:34:01,062 INFO [main.py:798]
{rank 0/64} MD step = 237900 step time: 00:00:00.342818 Performance: 41.357 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:34:06,433 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 237900 47580 59.623 -31937 6534.8 -38472 -38472 -4.6093 -12.871 0.24827 4.1603e+05 2024-05-17 22:34:41,738 INFO [main.py:798]
{rank 0/64} MD step = 238000 step time: 00:00:00.381779 Performance: 41.358 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:34:46,008 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238000 47600 59.282 -31967 6497.4 -38464 -38464 -4.6057 -12.876 0.24687 4.1622e+05 2024-05-17 22:35:22,177 INFO [main.py:798]
{rank 0/64} MD step = 238100 step time: 00:00:00.349214 Performance: 41.358 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:35:28,500 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238100 47620 59.647 -32084 6537.4 -38621 -38621 -4.6026 -12.88 0.24742 4.1634e+05 2024-05-17 22:36:03,038 INFO [main.py:798]
{rank 0/64} MD step = 238200 step time: 00:00:00.355651 Performance: 41.359 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:36:10,746 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238200 47640 60.251 -31872 6603.6 -38476 -38476 -4.5987 -12.885 0.24787 4.1656e+05 2024-05-17 22:36:45,385 INFO [main.py:798]
{rank 0/64} MD step = 238300 step time: 00:00:00.351731 Performance: 41.359 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:36:52,839 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238300 47660 60.117 -31870 6588.9 -38459 -38459 -4.5959 -12.891 0.24805 4.1674e+05 2024-05-17 22:37:27,981 INFO [main.py:798]
{rank 0/64} MD step = 238400 step time: 00:00:00.358201 Performance: 41.358 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:37:33,668 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238400 47680 60.052 -31912 6581.8 -38493 -38493 -4.5915 -12.897 0.24879 4.1688e+05 2024-05-17 22:38:07,622 INFO [main.py:798]
{rank 0/64} MD step = 238500 step time: 00:00:00.358600 Performance: 41.359 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 22:38:12,779 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238500 47700 60.611 -31914 6643.1 -38557 -38557 -4.5866 -12.901 0.24929 4.1707e+05 2024-05-17 22:38:47,733 INFO [main.py:798]
{rank 0/64} MD step = 238600 step time: 00:00:00.357166 Performance: 41.360 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 22:38:51,948 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 59.311 -32012 6500.5 -38512 -38512 -4.5835 -12.905 0.24956 4.1724e+05 2024-05-17 22:39:27,504 INFO [main.py:798]
{rank 0/64} MD step = 238700 step time: 00:00:00.336782 Performance: 41.361 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 22:39:33,707 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238700 47740 59.543 -31915 6525.9 -38441 -38441 -4.5794 -12.91 0.25007 4.1744e+05 2024-05-17 22:40:08,387 INFO [main.py:798]
{rank 0/64} MD step = 238800 step time: 00:00:00.336215 Performance: 41.361 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 22:40:12,808 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 61.317 -31807 6720.5 -38528 -38528 -4.5755 -12.916 0.25091 4.1761e+05 2024-05-17 22:40:48,649 INFO [main.py:798]
{rank 0/64} MD step = 238900 step time: 00:00:00.357817 Performance: 41.362 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 22:40:54,416 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 59.932 -31974 6568.6 -38543 -38543 -4.5716 -12.922 0.25069 4.1781e+05 2024-05-17 22:41:29,083 INFO [main.py:798]
{rank 0/64} MD step = 239000 step time: 00:00:00.329369 Performance: 41.362 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 22:41:34,496 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 239000 47800 59.966 -31928 6572.3 -38500 -38500 -4.5685 -12.926 0.25116 4.1801e+05 2024-05-17 22:42:09,175 INFO [main.py:798]
{rank 0/64} MD step = 239100 step time: 00:00:00.326723 Performance: 41.363 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 22:42:14,506 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 239100 47820 60.516 -31861 6632.6 -38494 -38494 -4.5653 -12.933 0.25026 4.1819e+05 2024-05-17 22:42:49,761 INFO [main.py:798]
{rank 0/64} MD step = 239200 step time: 00:00:00.329586 Performance: 41.363 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 22:42:57,793 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 59.987 -31851 6574.7 -38425 -38425 -4.5626 -12.939 0.25126 4.1836e+05 2024-05-17 22:43:32,182 INFO [main.py:798]
{rank 0/64} MD step = 239300 step time: 00:00:00.327857 Performance: 41.363 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 22:43:37,052 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 59.533 -32055 6524.9 -38580 -38580 -4.5583 -12.945 0.25154 4.1852e+05 2024-05-17 22:44:11,219 INFO [main.py:798]
{rank 0/64} MD step = 239400 step time: 00:00:00.344069 Performance: 41.364 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 22:44:17,349 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 60.128 -31803 6590.1 -38393 -38393 -4.555 -12.95 0.25342 4.1873e+05 2024-05-17 22:44:51,815 INFO [main.py:798]
{rank 0/64} MD step = 239500 step time: 00:00:00.328196 Performance: 41.365 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 22:44:56,144 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 59.662 -31896 6539 -38435 -38435 -4.5529 -12.955 0.25384 4.1893e+05 2024-05-17 22:45:32,173 INFO [main.py:798]
{rank 0/64} MD step = 239600 step time: 00:00:00.328784 Performance: 41.365 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 22:45:37,377 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 239600 47920 59.832 -31880 6557.6 -38438 -38438 -4.5484 -12.96 0.25409 4.191e+05 2024-05-17 22:46:11,704 INFO [main.py:798]
{rank 0/64} MD step = 239700 step time: 00:00:00.329843 Performance: 41.366 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 22:46:17,922 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 239700 47940 59.602 -31967 6532.4 -38499 -38499 -4.5482 -12.965 0.25429 4.1923e+05 2024-05-17 22:46:54,739 INFO [main.py:798]
{rank 0/64} MD step = 239800 step time: 00:00:00.330059 Performance: 41.366 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 22:47:01,132 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 239800 47960 59.178 -31980 6485.9 -38466 -38466 -4.5445 -12.97 0.25526 4.1941e+05 2024-05-17 22:47:35,738 INFO [main.py:798]
{rank 0/64} MD step = 239900 step time: 00:00:00.351698 Performance: 41.366 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 22:47:51,776 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 59.528 -32012 6524.3 -38536 -38536 -4.5411 -12.976 0.25613 4.1956e+05 2024-05-17 22:48:27,588 INFO [main.py:798]
{rank 0/64} MD step = 240000 step time: 00:00:00.354240 Performance: 41.362 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 22:48:33,313 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240000 48000 60.481 -31914 6628.8 -38543 -38543 -4.5368 -12.981 0.25575 4.1974e+05 2024-05-17 22:49:08,212 INFO [main.py:798]
{rank 0/64} MD step = 240100 step time: 00:00:00.351727 Performance: 41.362 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 22:49:13,936 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 58.836 -32120 6448.5 -38568 -38568 -4.5364 -12.986 0.25518 4.1992e+05 2024-05-17 22:49:47,909 INFO [main.py:798]
{rank 0/64} MD step = 240200 step time: 00:00:00.349160 Performance: 41.363 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 22:49:54,219 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240200 48040 59.754 -31949 6549.1 -38498 -38498 -4.5349 -12.992 0.25587 4.2008e+05 2024-05-17 22:50:28,876 INFO [main.py:798]
{rank 0/64} MD step = 240300 step time: 00:00:00.357068 Performance: 41.364 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 22:50:35,820 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240300 48060 59.743 -32042 6547.9 -38590 -38590 -4.5309 -12.998 0.2559 4.2026e+05 2024-05-17 22:51:12,139 INFO [main.py:798]
{rank 0/64} MD step = 240400 step time: 00:00:00.381511 Performance: 41.363 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 22:51:17,743 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 58.848 -32017 6449.9 -38467 -38467 -4.5262 -13.002 0.25681 4.2046e+05 2024-05-17 22:51:53,167 INFO [main.py:798]
{rank 0/64} MD step = 240500 step time: 00:00:00.356759 Performance: 41.363 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 22:52:00,812 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240500 48100 59.989 -31942 6574.9 -38517 -38517 -4.5222 -13.006 0.25811 4.2065e+05 2024-05-17 22:52:35,189 INFO [main.py:798]
{rank 0/64} MD step = 240600 step time: 00:00:00.342715 Performance: 41.363 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 22:52:41,232 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240600 48120 60.493 -31926 6630.1 -38556 -38556 -4.519 -13.012 0.2578 4.2081e+05 2024-05-17 22:53:15,523 INFO [main.py:798]
{rank 0/64} MD step = 240700 step time: 00:00:00.355538 Performance: 41.364 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 22:53:19,659 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 59.891 -31856 6564.2 -38420 -38420 -4.5165 -13.018 0.25932 4.2102e+05 2024-05-17 22:53:55,586 INFO [main.py:798]
{rank 0/64} MD step = 240800 step time: 00:00:00.340933 Performance: 41.365 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 22:54:01,561 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 60.029 -32011 6579.3 -38590 -38590 -4.5144 -13.022 0.26055 4.2111e+05 2024-05-17 22:54:35,961 INFO [main.py:798]
{rank 0/64} MD step = 240900 step time: 00:00:00.351147 Performance: 41.365 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 22:54:41,105 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240900 48180 60.031 -31904 6579.5 -38483 -38483 -4.51 -13.027 0.26047 4.213e+05 2024-05-17 22:55:16,609 INFO [main.py:798]
{rank 0/64} MD step = 241000 step time: 00:00:00.368096 Performance: 41.366 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 22:55:22,996 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 59.364 -31984 6506.3 -38490 -38490 -4.5067 -13.032 0.26106 4.2144e+05 2024-05-17 22:55:57,581 INFO [main.py:798]
{rank 0/64} MD step = 241100 step time: 00:00:00.343863 Performance: 41.366 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 22:56:03,992 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 241100 48220 60.421 -31936 6622.3 -38558 -38558 -4.5059 -13.037 0.26239 4.2161e+05 2024-05-17 22:56:38,961 INFO [main.py:798]
{rank 0/64} MD step = 241200 step time: 00:00:00.334890 Performance: 41.366 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 22:56:47,259 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 241200 48240 59.421 -31956 6512.6 -38469 -38469 -4.5026 -13.042 0.26268 4.2176e+05 2024-05-17 22:57:21,580 INFO [main.py:798]
{rank 0/64} MD step = 241300 step time: 00:00:00.341918 Performance: 41.366 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 22:57:26,741 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 241300 48260 57.95 -32275 6351.4 -38626 -38626 -4.5011 -13.047 0.2624 4.2191e+05 2024-05-17 22:58:02,200 INFO [main.py:798]
{rank 0/64} MD step = 241400 step time: 00:00:00.339356 Performance: 41.366 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 22:58:08,235 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 59.977 -31864 6573.6 -38437 -38437 -4.4985 -13.052 0.26345 4.2209e+05 2024-05-17 22:58:42,176 INFO [main.py:798]
{rank 0/64} MD step = 241500 step time: 00:00:00.338104 Performance: 41.367 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 22:58:48,268 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 241500 48300 59.867 -31964 6561.5 -38525 -38525 -4.4954 -13.058 0.26358 4.2223e+05 2024-05-17 22:59:21,978 INFO [main.py:798]
{rank 0/64} MD step = 241600 step time: 00:00:00.340119 Performance: 41.368 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 22:59:28,476 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 61.087 -31768 6695.2 -38463 -38463 -4.4913 -13.063 0.2642 4.2242e+05 2024-05-17 23:00:02,558 INFO [main.py:798]
{rank 0/64} MD step = 241700 step time: 00:00:00.328703 Performance: 41.368 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 23:00:13,648 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 59.762 -31962 6550 -38512 -38512 -4.4881 -13.07 0.26354 4.2261e+05 2024-05-17 23:00:49,918 INFO [main.py:798]
{rank 0/64} MD step = 241800 step time: 00:00:00.350159 Performance: 41.366 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 23:00:58,865 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 59.404 -31912 6510.8 -38423 -38423 -4.4842 -13.076 0.26449 4.2281e+05 2024-05-17 23:01:33,217 INFO [main.py:798]
{rank 0/64} MD step = 241900 step time: 00:00:00.345431 Performance: 41.365 ns/day 0.580 hours/ns 2.394 steps/s 2024-05-17 23:01:47,597 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 59.791 -32149 6553.1 -38703 -38703 -4.4805 -13.082 0.26571 4.2293e+05 2024-05-17 23:02:30,458 INFO [main.py:798]
{rank 0/64} MD step = 242000 step time: 00:00:00.325970 Performance: 41.359 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 23:02:36,564 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 59.594 -32084 6531.6 -38615 -38615 -4.4778 -13.087 0.2662 4.2312e+05 2024-05-17 23:03:13,169 INFO [main.py:798]
{rank 0/64} MD step = 242100 step time: 00:00:00.338444 Performance: 41.359 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 23:03:22,142 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242100 48420 59.925 -31825 6567.9 -38393 -38393 -4.4731 -13.092 0.26767 4.2332e+05 2024-05-17 23:03:57,349 INFO [main.py:798]
{rank 0/64} MD step = 242200 step time: 00:00:00.328544 Performance: 41.358 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 23:04:07,846 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242200 48440 59.855 -31922 6560.2 -38483 -38483 -4.4701 -13.096 0.2683 4.2346e+05 2024-05-17 23:04:42,402 INFO [main.py:798]
{rank 0/64} MD step = 242300 step time: 00:00:00.346607 Performance: 41.356 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 23:04:47,172 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242300 48460 59.659 -32045 6538.7 -38584 -38584 -4.4667 -13.101 0.26865 4.2363e+05 2024-05-17 23:05:21,926 INFO [main.py:798]
{rank 0/64} MD step = 242400 step time: 00:00:00.338116 Performance: 41.357 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 23:05:27,708 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242400 48480 59.568 -32075 6528.7 -38604 -38604 -4.4625 -13.106 0.2692 4.2378e+05 2024-05-17 23:06:02,408 INFO [main.py:798]
{rank 0/64} MD step = 242500 step time: 00:00:00.345571 Performance: 41.358 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 23:06:07,405 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 59.884 -32163 6563.4 -38726 -38726 -4.4603 -13.111 0.26928 4.2394e+05 2024-05-17 23:06:42,531 INFO [main.py:798]
{rank 0/64} MD step = 242600 step time: 00:00:00.326711 Performance: 41.358 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 23:06:52,993 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242600 48520 60.794 -31976 6663.1 -38639 -38639 -4.4563 -13.117 0.2716 4.2411e+05 2024-05-17 23:07:28,730 INFO [main.py:798]
{rank 0/64} MD step = 242700 step time: 00:00:00.333822 Performance: 41.357 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 23:07:37,993 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242700 48540 59.688 -31905 6541.9 -38447 -38447 -4.4528 -13.123 0.27166 4.2434e+05 2024-05-17 23:08:12,095 INFO [main.py:798]
{rank 0/64} MD step = 242800 step time: 00:00:00.354530 Performance: 41.356 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 23:08:17,828 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242800 48560 59.701 -31944 6543.3 -38487 -38487 -4.4491 -13.131 0.27132 4.2452e+05 2024-05-17 23:08:53,798 INFO [main.py:798]
{rank 0/64} MD step = 242900 step time: 00:00:00.326956 Performance: 41.356 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 23:09:01,319 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242900 48580 59.94 -31945 6569.5 -38514 -38514 -4.4463 -13.137 0.27148 4.247e+05 2024-05-17 23:09:36,759 INFO [main.py:798]
{rank 0/64} MD step = 243000 step time: 00:00:00.360134 Performance: 41.356 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 23:09:44,628 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243000 48600 59.968 -32022 6572.5 -38595 -38595 -4.4428 -13.143 0.27267 4.2486e+05 2024-05-17 23:10:20,934 INFO [main.py:798]
{rank 0/64} MD step = 243100 step time: 00:00:00.330790 Performance: 41.355 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 23:10:26,498 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243100 48620 59.458 -32085 6516.7 -38601 -38601 -4.4378 -13.148 0.27415 4.2506e+05 2024-05-17 23:11:01,950 INFO [main.py:798]
{rank 0/64} MD step = 243200 step time: 00:00:00.335332 Performance: 41.355 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 23:11:08,570 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243200 48640 59.643 -31912 6537 -38449 -38449 -4.4332 -13.153 0.27498 4.2525e+05 2024-05-17 23:11:43,597 INFO [main.py:798]
{rank 0/64} MD step = 243300 step time: 00:00:00.335332 Performance: 41.355 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 23:11:58,004 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243300 48660 60.506 -31825 6631.5 -38457 -38457 -4.4283 -13.159 0.27595 4.2543e+05 2024-05-17 23:12:32,464 INFO [main.py:798]
{rank 0/64} MD step = 243400 step time: 00:00:00.364405 Performance: 41.352 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 23:12:36,948 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 60.196 -31877 6597.5 -38475 -38475 -4.4254 -13.164 0.27689 4.2559e+05 2024-05-17 23:13:13,362 INFO [main.py:798]
{rank 0/64} MD step = 243500 step time: 00:00:00.333051 Performance: 41.352 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 23:13:19,269 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243500 48700 59.412 -31857 6511.6 -38369 -38369 -4.4199 -13.169 0.2788 4.2581e+05 2024-05-17 23:13:53,603 INFO [main.py:798]
{rank 0/64} MD step = 243600 step time: 00:00:00.330080 Performance: 41.353 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 23:14:01,919 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243600 48720 59.405 -31959 6510.9 -38470 -38470 -4.4146 -13.174 0.27901 4.2596e+05 2024-05-17 23:14:36,607 INFO [main.py:798]
{rank 0/64} MD step = 243700 step time: 00:00:00.391610 Performance: 41.353 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 23:14:41,951 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 59.631 -31974 6535.7 -38509 -38509 -4.4106 -13.18 0.28194 4.2615e+05 2024-05-17 23:15:16,359 INFO [main.py:798]
{rank 0/64} MD step = 243800 step time: 00:00:00.329501 Performance: 41.353 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 23:15:22,383 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 58.54 -32017 6416 -38433 -38433 -4.4056 -13.186 0.28314 4.2636e+05 2024-05-17 23:15:56,336 INFO [main.py:798]
{rank 0/64} MD step = 243900 step time: 00:00:00.334109 Performance: 41.354 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 23:16:03,120 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243900 48780 59.374 -31996 6507.5 -38503 -38503 -4.4017 -13.191 0.28374 4.2652e+05 2024-05-17 23:16:37,751 INFO [main.py:798]
{rank 0/64} MD step = 244000 step time: 00:00:00.328921 Performance: 41.354 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 23:16:44,246 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 58.941 -31938 6460 -38398 -38398 -4.3971 -13.197 0.28353 4.2676e+05 2024-05-17 23:17:18,505 INFO [main.py:798]
{rank 0/64} MD step = 244100 step time: 00:00:00.328234 Performance: 41.355 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 23:17:25,428 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 59.912 -31806 6566.4 -38373 -38373 -4.3941 -13.203 0.28398 4.269e+05 2024-05-17 23:18:02,452 INFO [main.py:798]
{rank 0/64} MD step = 244200 step time: 00:00:00.339759 Performance: 41.354 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 23:18:10,065 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 244200 48840 59.705 -31861 6543.8 -38404 -38404 -4.3913 -13.21 0.28546 4.2709e+05 2024-05-17 23:18:46,917 INFO [main.py:798]
{rank 0/64} MD step = 244300 step time: 00:00:00.335665 Performance: 41.353 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 23:18:57,855 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 59.569 -31884 6528.9 -38413 -38413 -4.3889 -13.216 0.28621 4.2726e+05 2024-05-17 23:19:31,761 INFO [main.py:798]
{rank 0/64} MD step = 244400 step time: 00:00:00.355617 Performance: 41.351 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 23:19:39,077 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 244400 48880 60.369 -31848 6616.6 -38465 -38465 -4.3846 -13.222 0.28628 4.2749e+05 2024-05-17 23:20:14,379 INFO [main.py:798]
{rank 0/64} MD step = 244500 step time: 00:00:00.375133 Performance: 41.351 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 23:20:22,162 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 244500 48900 60.959 -31689 6681.2 -38370 -38370 -4.3807 -13.227 0.28562 4.2768e+05 2024-05-17 23:20:58,055 INFO [main.py:798]
{rank 0/64} MD step = 244600 step time: 00:00:00.355831 Performance: 41.350 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 23:21:07,274 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 60.278 -31705 6606.6 -38312 -38312 -4.377 -13.232 0.28741 4.2786e+05 2024-05-17 23:21:41,446 INFO [main.py:798]
{rank 0/64} MD step = 244700 step time: 00:00:00.360387 Performance: 41.350 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 23:21:48,012 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 244700 48940 59.727 -31713 6546.1 -38259 -38259 -4.3728 -13.236 0.28935 4.2805e+05 2024-05-17 23:22:22,617 INFO [main.py:798]
{rank 0/64} MD step = 244800 step time: 00:00:00.376902 Performance: 41.350 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 23:22:38,008 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 244800 48960 60.144 -31823 6591.9 -38415 -38415 -4.3691 -13.241 0.28777 4.2819e+05 2024-05-17 23:23:16,225 INFO [main.py:798]
{rank 0/64} MD step = 244900 step time: 00:00:00.369494 Performance: 41.345 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 23:23:20,904 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 59.831 -31693 6557.6 -38250 -38250 -4.3666 -13.246 0.28621 4.2839e+05 2024-05-17 23:23:57,483 INFO [main.py:798]
{rank 0/64} MD step = 245000 step time: 00:00:00.351079 Performance: 41.345 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 23:24:07,588 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 60.465 -31721 6627 -38348 -38348 -4.3641 -13.251 0.28794 4.2857e+05 2024-05-17 23:24:42,226 INFO [main.py:798]
{rank 0/64} MD step = 245100 step time: 00:00:00.352559 Performance: 41.344 ns/day 0.580 hours/ns 2.393 steps/s 2024-05-17 23:24:56,322 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 58.754 -32039 6439.5 -38478 -38478 -4.3621 -13.257 0.28754 4.2873e+05 2024-05-17 23:25:33,642 INFO [main.py:798]
{rank 0/64} MD step = 245200 step time: 00:00:00.330369 Performance: 41.340 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:25:43,348 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 59.021 -32051 6468.7 -38520 -38520 -4.3589 -13.261 0.28809 4.2887e+05 2024-05-17 23:26:20,743 INFO [main.py:798]
{rank 0/64} MD step = 245300 step time: 00:00:00.328100 Performance: 41.338 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:26:29,302 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 59.753 -31849 6549 -38398 -38398 -4.3546 -13.267 0.28718 4.2907e+05 2024-05-17 23:27:04,311 INFO [main.py:798]
{rank 0/64} MD step = 245400 step time: 00:00:00.345441 Performance: 41.337 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:27:11,034 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 245400 49080 60.516 -31821 6632.7 -38454 -38454 -4.3509 -13.273 0.28704 4.2923e+05 2024-05-17 23:27:46,001 INFO [main.py:798]
{rank 0/64} MD step = 245500 step time: 00:00:00.359994 Performance: 41.338 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:27:51,898 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 59.847 -31855 6559.3 -38414 -38414 -4.3464 -13.28 0.28798 4.2942e+05 2024-05-17 23:28:28,020 INFO [main.py:798]
{rank 0/64} MD step = 245600 step time: 00:00:00.356258 Performance: 41.337 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:28:35,596 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 245600 49120 59.6 -32006 6532.2 -38538 -38538 -4.3417 -13.285 0.28924 4.2958e+05 2024-05-17 23:29:09,427 INFO [main.py:798]
{rank 0/64} MD step = 245700 step time: 00:00:00.340461 Performance: 41.338 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:29:16,462 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 245700 49140 59.588 -31952 6530.9 -38483 -38483 -4.3405 -13.291 0.2915 4.2975e+05 2024-05-17 23:29:52,266 INFO [main.py:798]
{rank 0/64} MD step = 245800 step time: 00:00:00.341843 Performance: 41.337 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:30:00,545 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 245800 49160 60.085 -31981 6585.4 -38567 -38567 -4.3377 -13.297 0.292 4.299e+05 2024-05-17 23:30:35,069 INFO [main.py:798]
{rank 0/64} MD step = 245900 step time: 00:00:00.349895 Performance: 41.337 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:30:46,423 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 59.797 -31878 6553.8 -38432 -38432 -4.3349 -13.302 0.29175 4.3007e+05 2024-05-17 23:31:20,934 INFO [main.py:798]
{rank 0/64} MD step = 246000 step time: 00:00:00.358786 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:31:30,134 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246000 49200 60.703 -31824 6653.2 -38477 -38477 -4.331 -13.306 0.29145 4.3026e+05 2024-05-17 23:32:05,079 INFO [main.py:798]
{rank 0/64} MD step = 246100 step time: 00:00:00.352505 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:32:11,736 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246100 49220 60.846 -31783 6668.8 -38452 -38452 -4.3267 -13.311 0.29202 4.3045e+05 2024-05-17 23:32:46,333 INFO [main.py:798]
{rank 0/64} MD step = 246200 step time: 00:00:00.352252 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:32:52,944 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 60.397 -31742 6619.6 -38362 -38362 -4.3233 -13.316 0.29268 4.3062e+05 2024-05-17 23:33:27,575 INFO [main.py:798]
{rank 0/64} MD step = 246300 step time: 00:00:00.350380 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:33:33,135 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246300 49260 60.462 -31909 6626.8 -38536 -38536 -4.3199 -13.32 0.29301 4.3077e+05 2024-05-17 23:34:07,537 INFO [main.py:798]
{rank 0/64} MD step = 246400 step time: 00:00:00.353628 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:34:13,421 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246400 49280 60.267 -31845 6605.3 -38450 -38450 -4.3162 -13.326 0.29191 4.3096e+05 2024-05-17 23:34:48,553 INFO [main.py:798]
{rank 0/64} MD step = 246500 step time: 00:00:00.359713 Performance: 41.336 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:34:53,822 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246500 49300 60.791 -31814 6662.8 -38477 -38477 -4.3128 -13.332 0.29152 4.3114e+05 2024-05-17 23:35:28,383 INFO [main.py:798]
{rank 0/64} MD step = 246600 step time: 00:00:00.341096 Performance: 41.336 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:35:34,281 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246600 49320 60.004 -31907 6576.5 -38484 -38484 -4.3099 -13.337 0.29178 4.313e+05 2024-05-17 23:36:10,596 INFO [main.py:798]
{rank 0/64} MD step = 246700 step time: 00:00:00.353367 Performance: 41.336 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:36:17,902 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246700 49340 60.047 -31860 6581.2 -38441 -38441 -4.3059 -13.342 0.29127 4.3148e+05 2024-05-17 23:36:52,330 INFO [main.py:798]
{rank 0/64} MD step = 246800 step time: 00:00:00.339733 Performance: 41.336 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:37:06,139 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 60.925 -31636 6677.4 -38313 -38313 -4.3032 -13.35 0.2921 4.3169e+05 2024-05-17 23:37:40,830 INFO [main.py:798]
{rank 0/64} MD step = 246900 step time: 00:00:00.338940 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:37:47,143 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 59.85 -31795 6559.6 -38355 -38355 -4.3013 -13.355 0.29255 4.3185e+05 2024-05-17 23:38:21,624 INFO [main.py:798]
{rank 0/64} MD step = 247000 step time: 00:00:00.354344 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:38:27,545 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 59.568 -31867 6528.7 -38396 -38396 -4.2979 -13.361 0.29385 4.32e+05 2024-05-17 23:39:07,189 INFO [main.py:798]
{rank 0/64} MD step = 247100 step time: 00:00:00.378111 Performance: 41.333 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:39:11,423 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 59.169 -31964 6485 -38449 -38449 -4.294 -13.368 0.29572 4.3218e+05 2024-05-17 23:39:46,151 INFO [main.py:798]
{rank 0/64} MD step = 247200 step time: 00:00:00.344724 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:39:52,493 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 60.255 -31780 6604 -38384 -38384 -4.289 -13.373 0.29636 4.3237e+05 2024-05-17 23:40:26,900 INFO [main.py:798]
{rank 0/64} MD step = 247300 step time: 00:00:00.355030 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:40:33,821 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247300 49460 59.092 -31834 6476.6 -38310 -38310 -4.2862 -13.379 0.2964 4.3255e+05 2024-05-17 23:41:09,274 INFO [main.py:798]
{rank 0/64} MD step = 247400 step time: 00:00:00.341572 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:41:17,512 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247400 49480 60.233 -31776 6601.6 -38378 -38378 -4.2818 -13.384 0.2983 4.3273e+05 2024-05-17 23:41:51,829 INFO [main.py:798]
{rank 0/64} MD step = 247500 step time: 00:00:00.382585 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:42:00,529 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 59.473 -31945 6518.3 -38463 -38463 -4.2779 -13.39 0.29821 4.329e+05 2024-05-17 23:42:34,791 INFO [main.py:798]
{rank 0/64} MD step = 247600 step time: 00:00:00.342829 Performance: 41.333 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:42:40,101 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247600 49520 60.621 -31778 6644.1 -38422 -38422 -4.2769 -13.395 0.29775 4.3306e+05 2024-05-17 23:43:14,642 INFO [main.py:798]
{rank 0/64} MD step = 247700 step time: 00:00:00.349829 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:43:19,994 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247700 49540 60.662 -31729 6648.6 -38378 -38378 -4.2734 -13.401 0.29884 4.3325e+05 2024-05-17 23:43:54,978 INFO [main.py:798]
{rank 0/64} MD step = 247800 step time: 00:00:00.363557 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:43:59,151 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247800 49560 60.444 -31786 6624.8 -38410 -38410 -4.2714 -13.407 0.29814 4.3341e+05 2024-05-17 23:44:35,033 INFO [main.py:798]
{rank 0/64} MD step = 247900 step time: 00:00:00.354476 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:44:45,563 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 59.528 -31787 6524.4 -38312 -38312 -4.267 -13.413 0.29871 4.336e+05 2024-05-17 23:45:20,244 INFO [main.py:798]
{rank 0/64} MD step = 248000 step time: 00:00:00.343363 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:45:26,433 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 60.081 -31724 6584.9 -38309 -38309 -4.2661 -13.42 0.29975 4.3379e+05 2024-05-17 23:46:01,396 INFO [main.py:798]
{rank 0/64} MD step = 248100 step time: 00:00:00.349090 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:46:06,801 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248100 49620 58.915 -32023 6457.1 -38480 -38480 -4.2621 -13.425 0.30004 4.3393e+05 2024-05-17 23:46:42,166 INFO [main.py:798]
{rank 0/64} MD step = 248200 step time: 00:00:00.354479 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:46:48,737 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248200 49640 59.785 -31803 6552.6 -38356 -38356 -4.2574 -13.431 0.29961 4.3411e+05 2024-05-17 23:47:22,935 INFO [main.py:798]
{rank 0/64} MD step = 248300 step time: 00:00:00.340816 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:47:28,319 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248300 49660 60.209 -31771 6599 -38370 -38370 -4.2523 -13.436 0.29956 4.3431e+05 2024-05-17 23:48:03,244 INFO [main.py:798]
{rank 0/64} MD step = 248400 step time: 00:00:00.353554 Performance: 41.336 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:48:12,582 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248400 49680 60.913 -31631 6676.2 -38307 -38307 -4.2483 -13.442 0.30249 4.3449e+05 2024-05-17 23:48:46,988 INFO [main.py:798]
{rank 0/64} MD step = 248500 step time: 00:00:00.354067 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:48:53,360 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248500 49700 60.146 -31800 6592 -38392 -38392 -4.2433 -13.448 0.30259 4.3465e+05 2024-05-17 23:49:27,477 INFO [main.py:798]
{rank 0/64} MD step = 248600 step time: 00:00:00.346375 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:49:33,793 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 58.958 -31845 6461.9 -38307 -38307 -4.2393 -13.455 0.30314 4.3484e+05 2024-05-17 23:50:08,122 INFO [main.py:798]
{rank 0/64} MD step = 248700 step time: 00:00:00.352302 Performance: 41.336 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:50:13,747 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248700 49740 59.619 -31958 6534.3 -38492 -38492 -4.2363 -13.46 0.30506 4.3498e+05 2024-05-17 23:50:52,108 INFO [main.py:798]
{rank 0/64} MD step = 248800 step time: 00:00:00.358550 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:50:57,872 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 59.709 -31806 6544.2 -38350 -38350 -4.2339 -13.466 0.30466 4.3514e+05 2024-05-17 23:51:32,396 INFO [main.py:798]
{rank 0/64} MD step = 248900 step time: 00:00:00.346554 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:51:38,719 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248900 49780 59.691 -31883 6542.2 -38425 -38425 -4.2313 -13.47 0.30516 4.3531e+05 2024-05-17 23:52:14,648 INFO [main.py:798]
{rank 0/64} MD step = 249000 step time: 00:00:00.349409 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:52:23,184 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249000 49800 60.111 -31912 6588.2 -38500 -38500 -4.2302 -13.476 0.30474 4.3545e+05 2024-05-17 23:52:57,907 INFO [main.py:798]
{rank 0/64} MD step = 249100 step time: 00:00:00.349352 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:53:05,254 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249100 49820 59.232 -31994 6491.9 -38486 -38486 -4.2284 -13.482 0.30468 4.3565e+05 2024-05-17 23:53:40,619 INFO [main.py:798]
{rank 0/64} MD step = 249200 step time: 00:00:00.376105 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:53:47,694 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249200 49840 59.999 -31893 6576 -38469 -38469 -4.2242 -13.486 0.30617 4.3585e+05 2024-05-17 23:54:22,078 INFO [main.py:798]
{rank 0/64} MD step = 249300 step time: 00:00:00.352273 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:54:28,635 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 59.726 -31857 6546 -38403 -38403 -4.2218 -13.491 0.30676 4.3602e+05 2024-05-17 23:55:03,371 INFO [main.py:798]
{rank 0/64} MD step = 249400 step time: 00:00:00.351150 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:55:08,102 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 59.853 -31798 6559.9 -38358 -38358 -4.218 -13.497 0.30522 4.3617e+05 2024-05-17 23:55:44,088 INFO [main.py:798]
{rank 0/64} MD step = 249500 step time: 00:00:00.339039 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:55:53,527 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249500 49900 61.523 -31853 6743 -38596 -38596 -4.2164 -13.502 0.30537 4.3632e+05 2024-05-17 23:56:28,808 INFO [main.py:798]
{rank 0/64} MD step = 249600 step time: 00:00:00.347413 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:56:37,134 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 59.696 -31890 6542.8 -38433 -38433 -4.2105 -13.508 0.30386 4.3655e+05 2024-05-17 23:57:11,900 INFO [main.py:798]
{rank 0/64} MD step = 249700 step time: 00:00:00.339691 Performance: 41.333 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:57:19,886 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249700 49940 60.78 -31818 6661.5 -38479 -38479 -4.2059 -13.513 0.30529 4.367e+05 2024-05-17 23:57:54,819 INFO [main.py:798]
{rank 0/64} MD step = 249800 step time: 00:00:00.351991 Performance: 41.333 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:58:02,255 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 59.685 -31900 6541.6 -38442 -38442 -4.2013 -13.518 0.30546 4.3686e+05 2024-05-17 23:58:36,804 INFO [main.py:798]
{rank 0/64} MD step = 249900 step time: 00:00:00.334369 Performance: 41.333 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:58:43,177 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249900 49980 61.189 -31704 6706.3 -38411 -38411 -4.1982 -13.525 0.3064 4.3704e+05 2024-05-17 23:59:18,507 INFO [main.py:798]
{rank 0/64} MD step = 250000 step time: 00:00:00.359698 Performance: 41.333 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-17 23:59:24,937 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 250000 50000 60.434 -31804 6623.7 -38428 -38428 -4.1936 -13.532 0.30766 4.3723e+05 2024-05-17 23:59:59,953 INFO [main.py:798]
{rank 0/64} MD step = 250100 step time: 00:00:00.350644 Performance: 41.333 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:00:05,801 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 59.002 -31915 6466.7 -38382 -38382 -4.1888 -13.539 0.30826 4.3745e+05 2024-05-18 00:00:40,625 INFO [main.py:798]
{rank 0/64} MD step = 250200 step time: 00:00:00.360137 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:00:44,796 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 250200 50040 61.072 -31777 6693.6 -38471 -38471 -4.1841 -13.545 0.30726 4.3763e+05 2024-05-18 00:01:20,637 INFO [main.py:798]
{rank 0/64} MD step = 250300 step time: 00:00:00.347928 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:01:26,510 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 250300 50060 59.797 -31920 6553.8 -38473 -38473 -4.1803 -13.551 0.30878 4.3779e+05 2024-05-18 00:02:01,898 INFO [main.py:798]
{rank 0/64} MD step = 250400 step time: 00:00:00.349178 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:02:08,254 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 250400 50080 59.998 -31853 6575.8 -38429 -38429 -4.1759 -13.557 0.30889 4.3798e+05 2024-05-18 00:02:42,909 INFO [main.py:798]
{rank 0/64} MD step = 250500 step time: 00:00:00.350993 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:02:49,466 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 250500 50100 60.003 -31823 6576.4 -38399 -38399 -4.1712 -13.563 0.30924 4.3812e+05 2024-05-18 00:03:24,033 INFO [main.py:798]
{rank 0/64} MD step = 250600 step time: 00:00:00.339564 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:03:30,699 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 250600 50120 59.507 -31916 6522.1 -38438 -38438 -4.167 -13.57 0.30971 4.3831e+05 2024-05-18 00:04:05,208 INFO [main.py:798]
{rank 0/64} MD step = 250700 step time: 00:00:00.352417 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:04:13,402 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 250700 50140 60.5 -31777 6630.8 -38408 -38408 -4.1648 -13.575 0.30858 4.3848e+05 2024-05-18 00:04:49,647 INFO [main.py:798]
{rank 0/64} MD step = 250800 step time: 00:00:00.370005 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:04:56,742 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 60.194 -31854 6597.4 -38452 -38452 -4.1611 -13.582 0.30836 4.3864e+05 2024-05-18 00:05:31,640 INFO [main.py:798]
{rank 0/64} MD step = 250900 step time: 00:00:00.348839 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:05:39,486 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 250900 50180 60.552 -31815 6636.6 -38451 -38451 -4.1562 -13.587 0.30874 4.3879e+05 2024-05-18 00:06:14,513 INFO [main.py:798]
{rank 0/64} MD step = 251000 step time: 00:00:00.344870 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:06:20,618 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 251000 50200 60.347 -31825 6614.1 -38439 -38439 -4.1525 -13.593 0.30829 4.3897e+05 2024-05-18 00:06:55,376 INFO [main.py:798]
{rank 0/64} MD step = 251100 step time: 00:00:00.367149 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:07:01,171 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 251100 50220 60.893 -31737 6674 -38411 -38411 -4.1467 -13.599 0.30867 4.3917e+05 2024-05-18 00:07:36,488 INFO [main.py:798]
{rank 0/64} MD step = 251200 step time: 00:00:00.359469 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:07:42,601 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 60.467 -31850 6627.2 -38477 -38477 -4.1419 -13.605 0.30895 4.3933e+05 2024-05-18 00:08:17,659 INFO [main.py:798]
{rank 0/64} MD step = 251300 step time: 00:00:00.338621 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:08:23,893 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 60.405 -31910 6620.4 -38530 -38530 -4.1394 -13.61 0.30913 4.3951e+05 2024-05-18 00:08:58,639 INFO [main.py:798]
{rank 0/64} MD step = 251400 step time: 00:00:00.343697 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:09:17,580 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 59.883 -31916 6563.2 -38480 -38480 -4.1384 -13.617 0.30964 4.3971e+05 2024-05-18 00:09:52,925 INFO [main.py:798]
{rank 0/64} MD step = 251500 step time: 00:00:00.328896 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:09:57,999 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 251500 50300 60.047 -31982 6581.2 -38564 -38564 -4.1354 -13.621 0.31036 4.3987e+05 2024-05-18 00:10:34,718 INFO [main.py:798]
{rank 0/64} MD step = 251600 step time: 00:00:00.327179 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:10:39,782 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 60.228 -31827 6601.1 -38428 -38428 -4.1302 -13.628 0.31127 4.4007e+05 2024-05-18 00:11:15,168 INFO [main.py:798]
{rank 0/64} MD step = 251700 step time: 00:00:00.335918 Performance: 41.331 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:11:21,583 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 59.923 -31785 6567.7 -38353 -38353 -4.1257 -13.632 0.31181 4.4022e+05 2024-05-18 00:11:58,158 INFO [main.py:798]
{rank 0/64} MD step = 251800 step time: 00:00:00.371675 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:12:04,364 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 251800 50360 59.975 -31953 6573.3 -38527 -38527 -4.1224 -13.637 0.31232 4.4037e+05 2024-05-18 00:12:40,266 INFO [main.py:798]
{rank 0/64} MD step = 251900 step time: 00:00:00.325546 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:12:46,069 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 251900 50380 60.11 -31707 6588.1 -38296 -38296 -4.1187 -13.643 0.313 4.4059e+05 2024-05-18 00:13:20,383 INFO [main.py:798]
{rank 0/64} MD step = 252000 step time: 00:00:00.332863 Performance: 41.331 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:13:25,673 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 60.684 -31716 6651 -38367 -38367 -4.1154 -13.648 0.31383 4.4074e+05 2024-05-18 00:14:02,668 INFO [main.py:798]
{rank 0/64} MD step = 252100 step time: 00:00:00.328121 Performance: 41.331 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:14:10,489 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 252100 50420 59.557 -31811 6527.5 -38338 -38338 -4.1121 -13.653 0.31479 4.4091e+05 2024-05-18 00:14:45,892 INFO [main.py:798]
{rank 0/64} MD step = 252200 step time: 00:00:00.329660 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:14:52,178 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 252200 50440 59.324 -31767 6502 -38269 -38269 -4.1082 -13.658 0.31551 4.4112e+05 2024-05-18 00:15:26,276 INFO [main.py:798]
{rank 0/64} MD step = 252300 step time: 00:00:00.339389 Performance: 41.331 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:15:32,387 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 61.072 -31648 6693.6 -38342 -38342 -4.1055 -13.663 0.31385 4.4128e+05 2024-05-18 00:16:06,888 INFO [main.py:798]
{rank 0/64} MD step = 252400 step time: 00:00:00.353215 Performance: 41.331 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:16:13,027 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 252400 50480 59.727 -32004 6546.2 -38550 -38550 -4.1043 -13.669 0.31356 4.4142e+05 2024-05-18 00:16:47,374 INFO [main.py:798]
{rank 0/64} MD step = 252500 step time: 00:00:00.368061 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:16:53,101 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 252500 50500 59.644 -31969 6537.1 -38507 -38507 -4.0986 -13.676 0.31348 4.4157e+05 2024-05-18 00:17:28,180 INFO [main.py:798]
{rank 0/64} MD step = 252600 step time: 00:00:00.355950 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:17:34,187 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 252600 50520 60.814 -31771 6665.3 -38436 -38436 -4.0938 -13.682 0.31295 4.4174e+05 2024-05-18 00:18:08,694 INFO [main.py:798]
{rank 0/64} MD step = 252700 step time: 00:00:00.351228 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:18:14,303 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 59.934 -31875 6568.8 -38444 -38444 -4.0907 -13.689 0.31394 4.4189e+05 2024-05-18 00:18:48,947 INFO [main.py:798]
{rank 0/64} MD step = 252800 step time: 00:00:00.349005 Performance: 41.333 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:18:54,478 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 60.86 -31735 6670.3 -38405 -38405 -4.0884 -13.696 0.31387 4.4207e+05 2024-05-18 00:19:28,944 INFO [main.py:798]
{rank 0/64} MD step = 252900 step time: 00:00:00.333935 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:19:40,927 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 252900 50580 59.293 -31875 6498.5 -38373 -38373 -4.0853 -13.702 0.31571 4.4225e+05 2024-05-18 00:20:15,709 INFO [main.py:798]
{rank 0/64} MD step = 253000 step time: 00:00:00.352424 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:20:22,468 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 60.532 -31798 6634.4 -38433 -38433 -4.0823 -13.706 0.31638 4.4246e+05 2024-05-18 00:21:02,907 INFO [main.py:798]
{rank 0/64} MD step = 253100 step time: 00:00:00.347894 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:21:08,458 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 253100 50620 59.533 -31898 6524.9 -38423 -38423 -4.0776 -13.712 0.31794 4.4261e+05 2024-05-18 00:21:43,240 INFO [main.py:798]
{rank 0/64} MD step = 253200 step time: 00:00:00.353060 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:21:47,625 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 59.582 -31939 6530.3 -38470 -38470 -4.0732 -13.718 0.31909 4.4279e+05 2024-05-18 00:22:24,878 INFO [main.py:798]
{rank 0/64} MD step = 253300 step time: 00:00:00.345957 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:22:30,988 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 253300 50660 59.956 -31952 6571.3 -38523 -38523 -4.0687 -13.723 0.31973 4.4295e+05 2024-05-18 00:23:10,041 INFO [main.py:798]
{rank 0/64} MD step = 253400 step time: 00:00:00.346563 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:23:14,268 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 59.666 -32153 6539.4 -38693 -38693 -4.065 -13.729 0.31895 4.4312e+05 2024-05-18 00:23:49,749 INFO [main.py:798]
{rank 0/64} MD step = 253500 step time: 00:00:00.354368 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:23:55,837 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 60.115 -32077 6588.7 -38666 -38666 -4.0632 -13.736 0.31888 4.433e+05 2024-05-18 00:24:30,684 INFO [main.py:798]
{rank 0/64} MD step = 253600 step time: 00:00:00.352909 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:24:35,956 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 60.187 -31863 6596.6 -38460 -38460 -4.0584 -13.744 0.31857 4.4348e+05 2024-05-18 00:25:10,396 INFO [main.py:798]
{rank 0/64} MD step = 253700 step time: 00:00:00.337358 Performance: 41.331 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:25:16,261 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 60.707 -31875 6653.6 -38529 -38529 -4.0529 -13.75 0.31927 4.4362e+05 2024-05-18 00:25:50,607 INFO [main.py:798]
{rank 0/64} MD step = 253800 step time: 00:00:00.342605 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:25:56,711 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 59.316 -31979 6501.1 -38480 -38480 -4.0489 -13.756 0.31971 4.4381e+05 2024-05-18 00:26:31,232 INFO [main.py:798]
{rank 0/64} MD step = 253900 step time: 00:00:00.363086 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:26:35,676 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 253900 50780 60.546 -32006 6635.9 -38642 -38642 -4.0458 -13.761 0.32005 4.4396e+05 2024-05-18 00:27:11,314 INFO [main.py:798]
{rank 0/64} MD step = 254000 step time: 00:00:00.353138 Performance: 41.333 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:27:18,439 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254000 50800 59.892 -31832 6564.3 -38397 -38397 -4.0432 -13.765 0.32003 4.4417e+05 2024-05-18 00:27:52,564 INFO [main.py:798]
{rank 0/64} MD step = 254100 step time: 00:00:00.343486 Performance: 41.333 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:28:00,436 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254100 50820 60.533 -31925 6634.4 -38560 -38560 -4.0396 -13.77 0.3203 4.4434e+05 2024-05-18 00:28:34,844 INFO [main.py:798]
{rank 0/64} MD step = 254200 step time: 00:00:00.338822 Performance: 41.333 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:28:51,984 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254200 50840 60.203 -32046 6598.3 -38644 -38644 -4.0363 -13.776 0.3212 4.445e+05 2024-05-18 00:29:26,739 INFO [main.py:798]
{rank 0/64} MD step = 254300 step time: 00:00:00.363636 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:29:33,485 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 60.699 -31942 6652.7 -38595 -38595 -4.033 -13.783 0.32028 4.447e+05 2024-05-18 00:30:08,922 INFO [main.py:798]
{rank 0/64} MD step = 254400 step time: 00:00:00.344774 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:30:15,095 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254400 50880 59.948 -31847 6570.3 -38417 -38417 -4.0299 -13.789 0.32143 4.4489e+05 2024-05-18 00:30:51,083 INFO [main.py:798]
{rank 0/64} MD step = 254500 step time: 00:00:00.344302 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:30:58,509 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254500 50900 60.095 -31984 6586.5 -38570 -38570 -4.0284 -13.796 0.32133 4.4509e+05 2024-05-18 00:31:32,756 INFO [main.py:798]
{rank 0/64} MD step = 254600 step time: 00:00:00.339739 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:31:38,852 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 59.411 -31993 6511.5 -38504 -38504 -4.0254 -13.802 0.32204 4.4525e+05 2024-05-18 00:32:13,390 INFO [main.py:798]
{rank 0/64} MD step = 254700 step time: 00:00:00.354180 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:32:19,531 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254700 50940 60.348 -31957 6614.2 -38571 -38571 -4.0217 -13.809 0.32244 4.4544e+05 2024-05-18 00:32:53,408 INFO [main.py:798]
{rank 0/64} MD step = 254800 step time: 00:00:00.332149 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:32:59,064 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 59.899 -32017 6565 -38582 -38582 -4.0202 -13.813 0.32427 4.456e+05 2024-05-18 00:33:34,185 INFO [main.py:798]
{rank 0/64} MD step = 254900 step time: 00:00:00.332139 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:33:41,350 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254900 50980 59.481 -31958 6519.2 -38477 -38477 -4.0155 -13.819 0.32325 4.458e+05 2024-05-18 00:34:16,371 INFO [main.py:798]
{rank 0/64} MD step = 255000 step time: 00:00:00.335373 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:34:24,753 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 61.081 -31819 6694.6 -38514 -38514 -4.0122 -13.826 0.32448 4.4592e+05 2024-05-18 00:34:59,431 INFO [main.py:798]
{rank 0/64} MD step = 255100 step time: 00:00:00.354599 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:35:06,886 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 255100 51020 60.899 -31917 6674.6 -38592 -38592 -4.0086 -13.831 0.32429 4.4613e+05 2024-05-18 00:35:41,554 INFO [main.py:798]
{rank 0/64} MD step = 255200 step time: 00:00:00.360927 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:35:46,823 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 58.742 -32116 6438.2 -38554 -38554 -4.0026 -13.839 0.32276 4.4629e+05 2024-05-18 00:36:21,687 INFO [main.py:798]
{rank 0/64} MD step = 255300 step time: 00:00:00.347274 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:36:26,896 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 60.241 -32009 6602.5 -38612 -38612 -4.0003 -13.844 0.32439 4.4647e+05 2024-05-18 00:37:01,366 INFO [main.py:798]
{rank 0/64} MD step = 255400 step time: 00:00:00.353233 Performance: 41.331 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:37:06,938 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 59.411 -32178 6511.6 -38689 -38689 -3.9963 -13.849 0.32448 4.4664e+05 2024-05-18 00:37:41,372 INFO [main.py:798]
{rank 0/64} MD step = 255500 step time: 00:00:00.344037 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:37:46,869 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 60.258 -31967 6604.3 -38571 -38571 -3.9947 -13.855 0.32491 4.468e+05 2024-05-18 00:38:21,955 INFO [main.py:798]
{rank 0/64} MD step = 255600 step time: 00:00:00.346185 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:38:27,531 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 255600 51120 59.585 -31812 6530.6 -38343 -38343 -3.9918 -13.858 0.32798 4.4703e+05 2024-05-18 00:39:03,867 INFO [main.py:798]
{rank 0/64} MD step = 255700 step time: 00:00:00.347436 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:39:12,122 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 59.932 -31900 6568.6 -38469 -38469 -3.9893 -13.863 0.32927 4.4715e+05 2024-05-18 00:39:45,986 INFO [main.py:798]
{rank 0/64} MD step = 255800 step time: 00:00:00.349946 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:39:51,815 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 255800 51160 59.598 -31923 6532 -38455 -38455 -3.9864 -13.869 0.33069 4.4732e+05 2024-05-18 00:40:26,447 INFO [main.py:798]
{rank 0/64} MD step = 255900 step time: 00:00:00.347735 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:40:32,237 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 59.177 -32098 6485.8 -38584 -38584 -3.9842 -13.873 0.33112 4.4745e+05 2024-05-18 00:41:06,621 INFO [main.py:798]
{rank 0/64} MD step = 256000 step time: 00:00:00.358735 Performance: 41.333 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:41:12,649 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256000 51200 59.702 -32037 6543.4 -38581 -38581 -3.9809 -13.878 0.33133 4.4767e+05 2024-05-18 00:41:48,522 INFO [main.py:798]
{rank 0/64} MD step = 256100 step time: 00:00:00.337861 Performance: 41.333 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:41:54,836 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256100 51220 60.116 -31848 6588.8 -38437 -38437 -3.978 -13.885 0.33129 4.4788e+05 2024-05-18 00:42:29,429 INFO [main.py:798]
{rank 0/64} MD step = 256200 step time: 00:00:00.351576 Performance: 41.333 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:42:37,495 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256200 51240 59.164 -31980 6484.5 -38465 -38465 -3.9765 -13.892 0.33228 4.4806e+05 2024-05-18 00:43:12,040 INFO [main.py:798]
{rank 0/64} MD step = 256300 step time: 00:00:00.336764 Performance: 41.333 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:43:17,762 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256300 51260 60.523 -31891 6633.4 -38525 -38525 -3.9733 -13.9 0.33396 4.4819e+05 2024-05-18 00:43:53,213 INFO [main.py:798]
{rank 0/64} MD step = 256400 step time: 00:00:00.355827 Performance: 41.333 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:43:59,277 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256400 51280 60.19 -31896 6596.9 -38492 -38492 -3.9682 -13.905 0.33473 4.4836e+05 2024-05-18 00:44:34,314 INFO [main.py:798]
{rank 0/64} MD step = 256500 step time: 00:00:00.339162 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:44:39,867 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256500 51300 60.21 -31975 6599.1 -38574 -38574 -3.963 -13.911 0.33514 4.4854e+05 2024-05-18 00:45:14,900 INFO [main.py:798]
{rank 0/64} MD step = 256600 step time: 00:00:00.344340 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:45:20,153 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256600 51320 59.667 -31856 6539.6 -38396 -38396 -3.9592 -13.915 0.33531 4.4873e+05 2024-05-18 00:45:54,601 INFO [main.py:798]
{rank 0/64} MD step = 256700 step time: 00:00:00.341833 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:46:00,868 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256700 51340 59.34 -31950 6503.8 -38454 -38454 -3.9587 -13.922 0.33635 4.4888e+05 2024-05-18 00:46:37,238 INFO [main.py:798]
{rank 0/64} MD step = 256800 step time: 00:00:00.351431 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:46:43,202 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256800 51360 60.408 -31864 6620.8 -38485 -38485 -3.957 -13.928 0.33709 4.4906e+05 2024-05-18 00:47:17,560 INFO [main.py:798]
{rank 0/64} MD step = 256900 step time: 00:00:00.366796 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:47:26,301 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 60.405 -31854 6620.4 -38474 -38474 -3.9538 -13.933 0.33831 4.4925e+05 2024-05-18 00:48:00,960 INFO [main.py:798]
{rank 0/64} MD step = 257000 step time: 00:00:00.340279 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:48:08,570 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257000 51400 60.335 -31823 6612.8 -38436 -38436 -3.9498 -13.94 0.33955 4.4945e+05 2024-05-18 00:48:43,458 INFO [main.py:798]
{rank 0/64} MD step = 257100 step time: 00:00:00.353770 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:48:49,004 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 59.97 -32021 6572.8 -38594 -38594 -3.9451 -13.945 0.33923 4.4959e+05 2024-05-18 00:49:23,635 INFO [main.py:798]
{rank 0/64} MD step = 257200 step time: 00:00:00.343070 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:49:30,221 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257200 51440 59.204 -31995 6488.9 -38484 -38484 -3.9433 -13.953 0.34015 4.4979e+05 2024-05-18 00:50:04,877 INFO [main.py:798]
{rank 0/64} MD step = 257300 step time: 00:00:00.358706 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:50:14,199 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257300 51460 59.115 -31864 6479.1 -38343 -38343 -3.9395 -13.959 0.34178 4.4998e+05 2024-05-18 00:50:49,365 INFO [main.py:798]
{rank 0/64} MD step = 257400 step time: 00:00:00.351611 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:50:57,190 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257400 51480 59.955 -31949 6571.1 -38520 -38520 -3.9369 -13.965 0.3422 4.5014e+05 2024-05-18 00:51:31,856 INFO [main.py:798]
{rank 0/64} MD step = 257500 step time: 00:00:00.374471 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:51:37,657 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257500 51500 59.271 -31853 6496.2 -38349 -38349 -3.9329 -13.971 0.34219 4.5036e+05 2024-05-18 00:52:12,295 INFO [main.py:798]
{rank 0/64} MD step = 257600 step time: 00:00:00.348743 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:52:17,200 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 60.201 -31884 6598.2 -38483 -38483 -3.9302 -13.977 0.34269 4.5051e+05 2024-05-18 00:52:52,049 INFO [main.py:798]
{rank 0/64} MD step = 257700 step time: 00:00:00.352451 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:52:56,408 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 59.447 -32059 6515.5 -38575 -38575 -3.9277 -13.982 0.34251 4.5068e+05 2024-05-18 00:53:33,736 INFO [main.py:798]
{rank 0/64} MD step = 257800 step time: 00:00:00.348179 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:53:39,315 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 59.743 -31831 6547.9 -38379 -38379 -3.9229 -13.987 0.34291 4.509e+05 2024-05-18 00:54:13,771 INFO [main.py:798]
{rank 0/64} MD step = 257900 step time: 00:00:00.355205 Performance: 41.336 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:54:19,870 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257900 51580 60.043 -31920 6580.8 -38501 -38501 -3.9179 -13.993 0.34169 4.5107e+05 2024-05-18 00:54:54,271 INFO [main.py:798]
{rank 0/64} MD step = 258000 step time: 00:00:00.354520 Performance: 41.336 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:55:01,795 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 60.057 -31818 6582.3 -38400 -38400 -3.9123 -13.999 0.34163 4.5127e+05 2024-05-18 00:55:36,686 INFO [main.py:798]
{rank 0/64} MD step = 258100 step time: 00:00:00.376984 Performance: 41.336 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:55:46,648 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 258100 51620 58.678 -32186 6431.2 -38618 -38618 -3.9096 -14.005 0.34267 4.5141e+05 2024-05-18 00:56:21,053 INFO [main.py:798]
{rank 0/64} MD step = 258200 step time: 00:00:00.338001 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:56:27,058 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 258200 51640 60.535 -31767 6634.7 -38402 -38402 -3.9072 -14.009 0.34337 4.5162e+05 2024-05-18 00:57:01,394 INFO [main.py:798]
{rank 0/64} MD step = 258300 step time: 00:00:00.346323 Performance: 41.336 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:57:07,580 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 258300 51660 60.001 -31945 6576.1 -38521 -38521 -3.9029 -14.016 0.34488 4.5179e+05 2024-05-18 00:57:42,922 INFO [main.py:798]
{rank 0/64} MD step = 258400 step time: 00:00:00.354513 Performance: 41.336 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:57:47,990 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 60.419 -31839 6622 -38461 -38461 -3.8991 -14.022 0.34337 4.5197e+05 2024-05-18 00:58:30,590 INFO [main.py:798]
{rank 0/64} MD step = 258500 step time: 00:00:06.309916 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:58:35,921 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 59.697 -31950 6542.9 -38493 -38493 -3.8932 -14.028 0.34271 4.5216e+05 2024-05-18 00:59:10,413 INFO [main.py:798]
{rank 0/64} MD step = 258600 step time: 00:00:00.348059 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:59:16,334 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 60.173 -32004 6595.1 -38599 -38599 -3.8894 -14.034 0.34243 4.5233e+05 2024-05-18 00:59:50,716 INFO [main.py:798]
{rank 0/64} MD step = 258700 step time: 00:00:00.355732 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 00:59:57,238 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 59.821 -31828 6556.5 -38385 -38385 -3.8854 -14.04 0.34189 4.5252e+05 2024-05-18 01:00:31,837 INFO [main.py:798]
{rank 0/64} MD step = 258800 step time: 00:00:00.353276 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:00:39,713 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 59.543 -31767 6526 -38293 -38293 -3.8798 -14.045 0.34283 4.5274e+05 2024-05-18 01:01:14,975 INFO [main.py:798]
{rank 0/64} MD step = 258900 step time: 00:00:00.355928 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:01:20,367 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 258900 51780 59.332 -31887 6502.9 -38390 -38390 -3.8754 -14.05 0.3453 4.529e+05 2024-05-18 01:01:56,399 INFO [main.py:798]
{rank 0/64} MD step = 259000 step time: 00:00:00.342158 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:02:02,541 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 259000 51800 59.325 -31736 6502.1 -38238 -38238 -3.8699 -14.054 0.34491 4.5307e+05 2024-05-18 01:02:37,403 INFO [main.py:798]
{rank 0/64} MD step = 259100 step time: 00:00:00.356029 Performance: 41.335 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:02:41,083 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 59.164 -31758 6484.5 -38243 -38243 -3.8688 -14.06 0.346 4.5327e+05 2024-05-18 01:03:16,405 INFO [main.py:798]
{rank 0/64} MD step = 259200 step time: 00:00:00.343286 Performance: 41.336 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:03:22,809 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 259200 51840 59.984 -31884 6574.3 -38459 -38459 -3.8651 -14.065 0.34743 4.5341e+05 2024-05-18 01:03:57,170 INFO [main.py:798]
{rank 0/64} MD step = 259300 step time: 00:00:00.350041 Performance: 41.337 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:04:03,753 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 61.082 -31837 6694.7 -38532 -38532 -3.8609 -14.07 0.34943 4.5358e+05 2024-05-18 01:04:40,031 INFO [main.py:798]
{rank 0/64} MD step = 259400 step time: 00:00:00.371365 Performance: 41.336 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:04:47,165 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 59.982 -31807 6574.1 -38381 -38381 -3.856 -14.076 0.35047 4.5376e+05 2024-05-18 01:05:21,854 INFO [main.py:798]
{rank 0/64} MD step = 259500 step time: 00:00:00.358128 Performance: 41.336 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:05:28,399 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 59.383 -31800 6508.4 -38308 -38308 -3.8521 -14.083 0.35209 4.5394e+05 2024-05-18 01:06:03,787 INFO [main.py:798]
{rank 0/64} MD step = 259600 step time: 00:00:00.353526 Performance: 41.336 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:06:09,438 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 259600 51920 59.685 -31871 6541.5 -38412 -38412 -3.847 -14.089 0.35467 4.5416e+05 2024-05-18 01:06:44,417 INFO [main.py:798]
{rank 0/64} MD step = 259700 step time: 00:00:00.353515 Performance: 41.337 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:06:48,138 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 259700 51940 60.001 -31889 6576.1 -38465 -38465 -3.8433 -14.095 0.35381 4.5434e+05 2024-05-18 01:07:24,189 INFO [main.py:798]
{rank 0/64} MD step = 259800 step time: 00:00:00.354953 Performance: 41.337 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:07:30,400 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 60.464 -31857 6626.9 -38484 -38484 -3.839 -14.1 0.35366 4.5447e+05 2024-05-18 01:08:06,203 INFO [main.py:798]
{rank 0/64} MD step = 259900 step time: 00:00:00.381632 Performance: 41.337 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:08:12,134 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 60.083 -31840 6585.2 -38425 -38425 -3.8357 -14.104 0.35372 4.5467e+05 2024-05-18 01:08:46,384 INFO [main.py:798]
{rank 0/64} MD step = 260000 step time: 00:00:00.347880 Performance: 41.338 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:08:52,756 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 260000 52000 60.032 -31834 6579.5 -38414 -38414 -3.8326 -14.11 0.35425 4.5486e+05 2024-05-18 01:09:27,011 INFO [main.py:798]
{rank 0/64} MD step = 260100 step time: 00:00:00.349153 Performance: 41.338 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:09:32,524 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 59.709 -31779 6544.2 -38323 -38323 -3.831 -14.117 0.35422 4.5503e+05 2024-05-18 01:10:07,294 INFO [main.py:798]
{rank 0/64} MD step = 260200 step time: 00:00:00.351745 Performance: 41.339 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:10:12,706 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 61.093 -31844 6695.8 -38540 -38540 -3.8281 -14.122 0.35537 4.5517e+05 2024-05-18 01:10:50,255 INFO [main.py:798]
{rank 0/64} MD step = 260300 step time: 00:00:00.359575 Performance: 41.338 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:10:54,575 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 260300 52060 60.275 -31983 6606.2 -38590 -38590 -3.8257 -14.128 0.35619 4.5537e+05 2024-05-18 01:11:30,854 INFO [main.py:798]
{rank 0/64} MD step = 260400 step time: 00:00:00.353635 Performance: 41.339 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:11:39,879 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 61.152 -31769 6702.4 -38471 -38471 -3.8208 -14.133 0.356 4.5555e+05 2024-05-18 01:12:14,961 INFO [main.py:798]
{rank 0/64} MD step = 260500 step time: 00:00:00.355789 Performance: 41.338 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:12:21,360 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 260500 52100 59.614 -31931 6533.7 -38465 -38465 -3.8182 -14.139 0.35535 4.5572e+05 2024-05-18 01:12:56,646 INFO [main.py:798]
{rank 0/64} MD step = 260600 step time: 00:00:00.366674 Performance: 41.338 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:13:02,552 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 60.519 -31866 6632.9 -38499 -38499 -3.8146 -14.145 0.35548 4.5587e+05 2024-05-18 01:13:37,443 INFO [main.py:798]
{rank 0/64} MD step = 260700 step time: 00:00:00.349512 Performance: 41.338 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:13:47,331 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 260700 52140 60.708 -31770 6653.7 -38424 -38424 -3.8112 -14.151 0.35676 4.5609e+05 2024-05-18 01:14:22,102 INFO [main.py:798]
{rank 0/64} MD step = 260800 step time: 00:00:00.330221 Performance: 41.337 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:14:29,468 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 59.207 -31894 6489.2 -38383 -38383 -3.8062 -14.158 0.35707 4.5625e+05 2024-05-18 01:15:04,818 INFO [main.py:798]
{rank 0/64} MD step = 260900 step time: 00:00:00.342903 Performance: 41.337 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:15:15,340 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 260900 52180 60.653 -31699 6647.6 -38347 -38347 -3.802 -14.164 0.35856 4.5644e+05 2024-05-18 01:15:49,744 INFO [main.py:798]
{rank 0/64} MD step = 261000 step time: 00:00:00.345171 Performance: 41.336 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:15:56,099 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 261000 52200 59.395 -31982 6509.8 -38491 -38491 -3.7971 -14.169 0.3605 4.5662e+05 2024-05-18 01:16:30,522 INFO [main.py:798]
{rank 0/64} MD step = 261100 step time: 00:00:00.357959 Performance: 41.336 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:16:37,237 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 59.927 -31964 6568 -38532 -38532 -3.7918 -14.175 0.36063 4.5675e+05 2024-05-18 01:17:11,794 INFO [main.py:798]
{rank 0/64} MD step = 261200 step time: 00:00:00.350135 Performance: 41.336 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:17:16,169 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 59.004 -32029 6466.9 -38496 -38496 -3.7874 -14.181 0.35997 4.5694e+05 2024-05-18 01:17:52,088 INFO [main.py:798]
{rank 0/64} MD step = 261300 step time: 00:00:00.354001 Performance: 41.337 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:17:58,182 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 60.3 -31984 6608.9 -38593 -38593 -3.7818 -14.187 0.35923 4.571e+05 2024-05-18 01:18:32,801 INFO [main.py:798]
{rank 0/64} MD step = 261400 step time: 00:00:00.337159 Performance: 41.337 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:18:36,956 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 59.204 -32008 6488.9 -38497 -38497 -3.7777 -14.194 0.35972 4.573e+05 2024-05-18 01:19:12,835 INFO [main.py:798]
{rank 0/64} MD step = 261500 step time: 00:00:00.352903 Performance: 41.338 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:19:21,219 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 59.829 -32062 6557.4 -38619 -38619 -3.7736 -14.201 0.36148 4.5744e+05 2024-05-18 01:19:55,442 INFO [main.py:798]
{rank 0/64} MD step = 261600 step time: 00:00:00.352885 Performance: 41.338 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:20:04,085 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 60.704 -31892 6653.2 -38545 -38545 -3.7695 -14.205 0.36332 4.5763e+05 2024-05-18 01:20:38,620 INFO [main.py:798]
{rank 0/64} MD step = 261700 step time: 00:00:00.353010 Performance: 41.337 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:20:48,558 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 59.889 -31922 6564 -38486 -38486 -3.7663 -14.21 0.36444 4.5777e+05 2024-05-18 01:21:28,047 INFO [main.py:798]
{rank 0/64} MD step = 261800 step time: 00:00:00.359809 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:21:37,340 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 261800 52360 58.951 -32027 6461.1 -38488 -38488 -3.7635 -14.216 0.36243 4.5796e+05 2024-05-18 01:22:12,107 INFO [main.py:798]
{rank 0/64} MD step = 261900 step time: 00:00:00.347534 Performance: 41.334 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:22:21,367 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 261900 52380 59.72 -32021 6545.4 -38567 -38567 -3.7584 -14.221 0.36163 4.5812e+05 2024-05-18 01:22:56,050 INFO [main.py:798]
{rank 0/64} MD step = 262000 step time: 00:00:00.350656 Performance: 41.333 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:23:09,119 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262000 52400 59.678 -31892 6540.8 -38433 -38433 -3.7525 -14.226 0.36273 4.5832e+05 2024-05-18 01:23:43,709 INFO [main.py:798]
{rank 0/64} MD step = 262100 step time: 00:00:00.341952 Performance: 41.331 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:23:51,754 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262100 52420 59.568 -31915 6528.7 -38444 -38444 -3.7486 -14.232 0.36246 4.5847e+05 2024-05-18 01:24:26,268 INFO [main.py:798]
{rank 0/64} MD step = 262200 step time: 00:00:00.352720 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:24:37,377 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262200 52440 59.886 -31802 6563.6 -38366 -38366 -3.7471 -14.237 0.36303 4.5865e+05 2024-05-18 01:25:11,449 INFO [main.py:798]
{rank 0/64} MD step = 262300 step time: 00:00:00.338881 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:25:16,965 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 59.273 -31981 6496.4 -38478 -38478 -3.7451 -14.241 0.36329 4.5884e+05 2024-05-18 01:25:51,241 INFO [main.py:798]
{rank 0/64} MD step = 262400 step time: 00:00:00.352029 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:25:56,956 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262400 52480 59.098 -32087 6477.3 -38564 -38564 -3.7403 -14.247 0.36306 4.5898e+05 2024-05-18 01:26:31,887 INFO [main.py:798]
{rank 0/64} MD step = 262500 step time: 00:00:00.343603 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:26:37,736 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262500 52500 59.79 -31913 6553 -38466 -38466 -3.7358 -14.252 0.36341 4.5917e+05 2024-05-18 01:27:12,486 INFO [main.py:798]
{rank 0/64} MD step = 262600 step time: 00:00:00.350074 Performance: 41.331 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:27:21,059 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262600 52520 59.712 -31819 6544.5 -38363 -38363 -3.731 -14.258 0.36575 4.5939e+05 2024-05-18 01:27:57,764 INFO [main.py:798]
{rank 0/64} MD step = 262700 step time: 00:00:00.377502 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:28:05,689 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 60.288 -31752 6607.7 -38360 -38360 -3.7272 -14.263 0.3656 4.5955e+05 2024-05-18 01:28:41,075 INFO [main.py:798]
{rank 0/64} MD step = 262800 step time: 00:00:00.356336 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:28:46,575 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262800 52560 59.412 -31847 6511.6 -38358 -38358 -3.7242 -14.268 0.36743 4.5969e+05 2024-05-18 01:29:21,002 INFO [main.py:798]
{rank 0/64} MD step = 262900 step time: 00:00:00.351928 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:29:26,693 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262900 52580 60.244 -31932 6602.8 -38535 -38535 -3.7196 -14.274 0.37083 4.5986e+05 2024-05-18 01:30:01,602 INFO [main.py:798]
{rank 0/64} MD step = 263000 step time: 00:00:00.374475 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:30:07,670 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 263000 52600 60.654 -31956 6647.8 -38604 -38604 -3.7183 -14.281 0.37111 4.6001e+05 2024-05-18 01:30:41,881 INFO [main.py:798]
{rank 0/64} MD step = 263100 step time: 00:00:00.343621 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:30:46,150 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 59.687 -31954 6541.8 -38496 -38496 -3.7175 -14.287 0.37023 4.6021e+05 2024-05-18 01:31:22,833 INFO [main.py:798]
{rank 0/64} MD step = 263200 step time: 00:00:00.367499 Performance: 41.331 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:31:28,411 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 263200 52640 59.478 -31960 6518.8 -38479 -38479 -3.7147 -14.291 0.37235 4.6041e+05 2024-05-18 01:32:02,574 INFO [main.py:798]
{rank 0/64} MD step = 263300 step time: 00:00:00.353561 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:32:10,261 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 60.204 -31789 6598.4 -38388 -38388 -3.712 -14.297 0.37398 4.6059e+05 2024-05-18 01:32:44,787 INFO [main.py:798]
{rank 0/64} MD step = 263400 step time: 00:00:00.355030 Performance: 41.331 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:32:55,189 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 263400 52680 60.871 -31784 6671.6 -38455 -38455 -3.7082 -14.302 0.37288 4.6076e+05 2024-05-18 01:33:31,088 INFO [main.py:798]
{rank 0/64} MD step = 263500 step time: 00:00:00.380899 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:33:39,672 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 263500 52700 59.65 -31908 6537.7 -38445 -38445 -3.7053 -14.308 0.37452 4.6092e+05 2024-05-18 01:34:14,540 INFO [main.py:798]
{rank 0/64} MD step = 263600 step time: 00:00:00.339365 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:34:25,666 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 60.489 -31862 6629.6 -38492 -38492 -3.702 -14.313 0.37451 4.611e+05 2024-05-18 01:35:00,276 INFO [main.py:798]
{rank 0/64} MD step = 263700 step time: 00:00:00.351718 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:35:07,621 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 263700 52740 59.668 -31850 6539.7 -38390 -38390 -3.6963 -14.319 0.37537 4.6131e+05 2024-05-18 01:35:42,605 INFO [main.py:798]
{rank 0/64} MD step = 263800 step time: 00:00:00.350925 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:35:48,224 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 60.224 -31858 6600.6 -38459 -38459 -3.6944 -14.324 0.37461 4.6147e+05 2024-05-18 01:36:25,305 INFO [main.py:798]
{rank 0/64} MD step = 263900 step time: 00:00:00.360466 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:36:31,058 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 263900 52780 60.176 -31785 6595.4 -38380 -38380 -3.6908 -14.33 0.37698 4.6165e+05 2024-05-18 01:37:05,837 INFO [main.py:798]
{rank 0/64} MD step = 264000 step time: 00:00:00.355118 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:37:14,170 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264000 52800 60.446 -31840 6625 -38465 -38465 -3.6871 -14.336 0.37633 4.6184e+05 2024-05-18 01:37:50,275 INFO [main.py:798]
{rank 0/64} MD step = 264100 step time: 00:00:00.326857 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:37:56,965 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264100 52820 60.614 -31599 6643.4 -38242 -38242 -3.6799 -14.343 0.37564 4.6204e+05 2024-05-18 01:38:31,591 INFO [main.py:798]
{rank 0/64} MD step = 264200 step time: 00:00:00.328267 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:38:37,744 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264200 52840 60.024 -31848 6578.8 -38426 -38426 -3.6762 -14.35 0.3757 4.6219e+05 2024-05-18 01:39:13,375 INFO [main.py:798]
{rank 0/64} MD step = 264300 step time: 00:00:00.330942 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:39:18,958 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 60.698 -31785 6652.6 -38437 -38437 -3.6723 -14.356 0.37514 4.6238e+05 2024-05-18 01:39:53,898 INFO [main.py:798]
{rank 0/64} MD step = 264400 step time: 00:00:00.330141 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:40:02,388 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264400 52880 60.769 -31825 6660.3 -38485 -38485 -3.6683 -14.361 0.37622 4.6255e+05 2024-05-18 01:40:37,667 INFO [main.py:798]
{rank 0/64} MD step = 264500 step time: 00:00:00.329028 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:40:42,652 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 58.939 -31992 6459.8 -38452 -38452 -3.6624 -14.367 0.37855 4.6272e+05 2024-05-18 01:41:17,730 INFO [main.py:798]
{rank 0/64} MD step = 264600 step time: 00:00:00.332057 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:41:25,876 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264600 52920 60.417 -31894 6621.8 -38516 -38516 -3.659 -14.373 0.37865 4.6289e+05 2024-05-18 01:42:00,263 INFO [main.py:798]
{rank 0/64} MD step = 264700 step time: 00:00:00.329906 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:42:05,892 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264700 52940 59.87 -31923 6561.9 -38485 -38485 -3.6576 -14.377 0.37934 4.6306e+05 2024-05-18 01:42:40,795 INFO [main.py:798]
{rank 0/64} MD step = 264800 step time: 00:00:00.336503 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:42:47,464 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264800 52960 59.685 -31749 6541.6 -38291 -38291 -3.6524 -14.383 0.37934 4.6324e+05 2024-05-18 01:43:21,600 INFO [main.py:798]
{rank 0/64} MD step = 264900 step time: 00:00:00.329987 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:43:30,420 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264900 52980 60.039 -31883 6580.3 -38464 -38464 -3.6485 -14.389 0.3781 4.6341e+05 2024-05-18 01:44:05,206 INFO [main.py:798]
{rank 0/64} MD step = 265000 step time: 00:00:00.329084 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:44:11,905 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265000 53000 60.965 -31698 6681.9 -38380 -38380 -3.6473 -14.395 0.37909 4.6358e+05 2024-05-18 01:44:46,304 INFO [main.py:798]
{rank 0/64} MD step = 265100 step time: 00:00:00.329353 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:44:53,131 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265100 53020 60.416 -31872 6621.7 -38494 -38494 -3.6415 -14.401 0.3801 4.6376e+05 2024-05-18 01:45:27,417 INFO [main.py:798]
{rank 0/64} MD step = 265200 step time: 00:00:00.330996 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:45:33,401 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265200 53040 59.829 -31877 6557.3 -38434 -38434 -3.6387 -14.407 0.37943 4.6393e+05 2024-05-18 01:46:08,159 INFO [main.py:798]
{rank 0/64} MD step = 265300 step time: 00:00:00.336994 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:46:12,988 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265300 53060 59.881 -31984 6563 -38547 -38547 -3.6365 -14.412 0.3797 4.6406e+05 2024-05-18 01:46:48,868 INFO [main.py:798]
{rank 0/64} MD step = 265400 step time: 00:00:00.338706 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:46:54,182 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 59.189 -31912 6487.2 -38399 -38399 -3.6352 -14.418 0.38095 4.6429e+05 2024-05-18 01:47:28,585 INFO [main.py:798]
{rank 0/64} MD step = 265500 step time: 00:00:00.326919 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:47:35,134 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265500 53100 60.354 -31871 6614.9 -38486 -38486 -3.6327 -14.424 0.38122 4.6445e+05 2024-05-18 01:48:10,707 INFO [main.py:798]
{rank 0/64} MD step = 265600 step time: 00:00:00.337200 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:48:16,288 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265600 53120 60.297 -31801 6608.6 -38409 -38409 -3.6277 -14.429 0.38191 4.6463e+05 2024-05-18 01:48:52,411 INFO [main.py:798]
{rank 0/64} MD step = 265700 step time: 00:00:00.328743 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:48:57,640 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265700 53140 60.557 -31812 6637.1 -38449 -38449 -3.6223 -14.437 0.38396 4.6481e+05 2024-05-18 01:49:35,431 INFO [main.py:798]
{rank 0/64} MD step = 265800 step time: 00:00:00.337516 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:49:40,763 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 60.51 -31836 6632 -38468 -38468 -3.6184 -14.442 0.38372 4.65e+05 2024-05-18 01:50:16,226 INFO [main.py:798]
{rank 0/64} MD step = 265900 step time: 00:00:00.326082 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:50:21,547 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265900 53180 59.808 -31850 6555 -38405 -38405 -3.6151 -14.448 0.38465 4.652e+05 2024-05-18 01:50:56,550 INFO [main.py:798]
{rank 0/64} MD step = 266000 step time: 00:00:00.338817 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:51:02,608 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266000 53200 60.06 -31801 6582.7 -38383 -38383 -3.611 -14.455 0.38524 4.6537e+05 2024-05-18 01:51:37,195 INFO [main.py:798]
{rank 0/64} MD step = 266100 step time: 00:00:00.332882 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:51:43,583 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 59.941 -31913 6569.6 -38483 -38483 -3.6083 -14.461 0.38675 4.6556e+05 2024-05-18 01:52:19,073 INFO [main.py:798]
{rank 0/64} MD step = 266200 step time: 00:00:00.343860 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:52:25,612 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266200 53240 60.206 -31940 6598.7 -38539 -38539 -3.604 -14.466 0.38743 4.657e+05 2024-05-18 01:52:59,936 INFO [main.py:798]
{rank 0/64} MD step = 266300 step time: 00:00:00.352550 Performance: 41.330 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:53:05,646 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266300 53260 60.15 -31857 6592.6 -38450 -38450 -3.6007 -14.471 0.38791 4.6587e+05 2024-05-18 01:53:40,519 INFO [main.py:798]
{rank 0/64} MD step = 266400 step time: 00:00:00.369105 Performance: 41.331 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:53:46,795 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266400 53280 59.23 -31999 6491.7 -38490 -38490 -3.5956 -14.476 0.38796 4.6606e+05 2024-05-18 01:54:21,091 INFO [main.py:798]
{rank 0/64} MD step = 266500 step time: 00:00:00.355739 Performance: 41.331 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:54:27,021 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 59.4 -31881 6510.3 -38391 -38391 -3.5927 -14.483 0.38769 4.6623e+05 2024-05-18 01:55:02,272 INFO [main.py:798]
{rank 0/64} MD step = 266600 step time: 00:00:00.380365 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:55:07,867 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266600 53320 60.453 -31890 6625.7 -38516 -38516 -3.586 -14.489 0.39 4.6638e+05 2024-05-18 01:55:42,190 INFO [main.py:798]
{rank 0/64} MD step = 266700 step time: 00:00:00.340867 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:55:47,897 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 59.829 -32001 6557.3 -38558 -38558 -3.5826 -14.496 0.39004 4.6655e+05 2024-05-18 01:56:24,440 INFO [main.py:798]
{rank 0/64} MD step = 266800 step time: 00:00:00.349160 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:56:30,215 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 60.243 -32084 6602.7 -38687 -38687 -3.5786 -14.502 0.39094 4.6669e+05 2024-05-18 01:57:06,743 INFO [main.py:798]
{rank 0/64} MD step = 266900 step time: 00:00:00.367299 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:57:13,186 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266900 53380 59.808 -31928 6555.1 -38483 -38483 -3.5757 -14.509 0.39092 4.6692e+05 2024-05-18 01:57:48,289 INFO [main.py:798]
{rank 0/64} MD step = 267000 step time: 00:00:00.360185 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:57:53,780 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 60.183 -31896 6596.1 -38492 -38492 -3.5718 -14.514 0.3922 4.6709e+05 2024-05-18 01:58:30,330 INFO [main.py:798]
{rank 0/64} MD step = 267100 step time: 00:00:00.354497 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:58:35,553 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267100 53420 60.001 -31921 6576.2 -38497 -38497 -3.5694 -14.522 0.3921 4.6728e+05 2024-05-18 01:59:09,818 INFO [main.py:798]
{rank 0/64} MD step = 267200 step time: 00:00:00.353662 Performance: 41.333 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:59:16,957 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267200 53440 60.396 -31892 6619.5 -38512 -38512 -3.5657 -14.527 0.39385 4.6744e+05 2024-05-18 01:59:51,362 INFO [main.py:798]
{rank 0/64} MD step = 267300 step time: 00:00:00.343126 Performance: 41.333 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 01:59:58,775 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 58.927 -31908 6458.5 -38366 -38366 -3.5611 -14.533 0.39406 4.6764e+05 2024-05-18 02:00:33,483 INFO [main.py:798]
{rank 0/64} MD step = 267400 step time: 00:00:00.349989 Performance: 41.333 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:00:41,062 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267400 53480 59.516 -32008 6523.1 -38531 -38531 -3.5572 -14.538 0.39488 4.6777e+05 2024-05-18 02:01:15,946 INFO [main.py:798]
{rank 0/64} MD step = 267500 step time: 00:00:00.378927 Performance: 41.333 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:01:21,666 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267500 53500 60.131 -31927 6590.4 -38518 -38518 -3.5523 -14.543 0.39513 4.6794e+05 2024-05-18 02:01:56,647 INFO [main.py:798]
{rank 0/64} MD step = 267600 step time: 00:00:00.371267 Performance: 41.333 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:02:07,114 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267600 53520 60.134 -31845 6590.8 -38436 -38436 -3.5498 -14.548 0.39494 4.6809e+05 2024-05-18 02:02:41,476 INFO [main.py:798]
{rank 0/64} MD step = 267700 step time: 00:00:00.346319 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:02:47,262 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 60.334 -31955 6612.6 -38567 -38567 -3.5457 -14.554 0.39617 4.6824e+05 2024-05-18 02:03:21,834 INFO [main.py:798]
{rank 0/64} MD step = 267800 step time: 00:00:00.341390 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:03:28,659 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267800 53560 59.561 -32029 6528 -38557 -38557 -3.5414 -14.561 0.39583 4.6839e+05 2024-05-18 02:04:03,234 INFO [main.py:798]
{rank 0/64} MD step = 267900 step time: 00:00:00.353237 Performance: 41.333 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:04:09,945 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267900 53580 59.646 -31838 6537.3 -38375 -38375 -3.5369 -14.567 0.39667 4.6861e+05 2024-05-18 02:04:45,596 INFO [main.py:798]
{rank 0/64} MD step = 268000 step time: 00:00:00.380344 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:04:54,504 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 60.459 -31854 6626.4 -38481 -38481 -3.5314 -14.574 0.39747 4.6877e+05 2024-05-18 02:05:29,170 INFO [main.py:798]
{rank 0/64} MD step = 268100 step time: 00:00:00.353355 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:05:33,418 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 268100 53620 60.507 -31808 6631.6 -38440 -38440 -3.5273 -14.579 0.39835 4.6895e+05 2024-05-18 02:06:09,629 INFO [main.py:798]
{rank 0/64} MD step = 268200 step time: 00:00:00.377275 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:06:15,506 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 59.794 -31964 6553.5 -38518 -38518 -3.5231 -14.586 0.39722 4.6908e+05 2024-05-18 02:06:51,545 INFO [main.py:798]
{rank 0/64} MD step = 268300 step time: 00:00:00.387436 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:06:58,118 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 268300 53660 59.518 -32024 6523.2 -38547 -38547 -3.5202 -14.594 0.39888 4.6928e+05 2024-05-18 02:07:32,415 INFO [main.py:798]
{rank 0/64} MD step = 268400 step time: 00:00:00.341969 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:07:38,582 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 268400 53680 59.709 -31905 6544.2 -38449 -38449 -3.5176 -14.598 0.39865 4.6945e+05 2024-05-18 02:08:13,248 INFO [main.py:798]
{rank 0/64} MD step = 268500 step time: 00:00:00.356806 Performance: 41.333 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:08:21,500 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 268500 53700 59.153 -31968 6483.3 -38452 -38452 -3.5148 -14.604 0.40057 4.6961e+05 2024-05-18 02:08:56,658 INFO [main.py:798]
{rank 0/64} MD step = 268600 step time: 00:00:00.367870 Performance: 41.332 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:09:10,276 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 60.403 -31690 6620.2 -38310 -38310 -3.512 -14.61 0.40048 4.6978e+05 2024-05-18 02:09:47,001 INFO [main.py:798]
{rank 0/64} MD step = 268700 step time: 00:00:00.331435 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:09:55,333 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 59.987 -31897 6574.6 -38471 -38471 -3.5088 -14.615 0.40006 4.6992e+05 2024-05-18 02:10:29,974 INFO [main.py:798]
{rank 0/64} MD step = 268800 step time: 00:00:00.370073 Performance: 41.329 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:10:44,326 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 60.004 -31832 6576.5 -38409 -38409 -3.5056 -14.621 0.40014 4.7009e+05 2024-05-18 02:11:19,479 INFO [main.py:798]
{rank 0/64} MD step = 268900 step time: 00:00:00.328610 Performance: 41.326 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:11:26,020 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 60.178 -31703 6595.6 -38298 -38298 -3.5026 -14.627 0.40038 4.703e+05 2024-05-18 02:12:00,397 INFO [main.py:798]
{rank 0/64} MD step = 269000 step time: 00:00:00.326307 Performance: 41.326 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:12:06,186 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 60.144 -31756 6591.8 -38348 -38348 -3.4993 -14.635 0.40311 4.7044e+05 2024-05-18 02:12:41,194 INFO [main.py:798]
{rank 0/64} MD step = 269100 step time: 00:00:00.329646 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:12:47,242 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 269100 53820 60.157 -31953 6593.2 -38547 -38547 -3.4963 -14.64 0.40419 4.7061e+05 2024-05-18 02:13:21,332 INFO [main.py:798]
{rank 0/64} MD step = 269200 step time: 00:00:00.334370 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:13:27,591 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 269200 53840 59.546 -31881 6526.4 -38407 -38407 -3.4906 -14.645 0.40323 4.708e+05 2024-05-18 02:14:02,444 INFO [main.py:798]
{rank 0/64} MD step = 269300 step time: 00:00:00.334998 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:14:08,134 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 269300 53860 59.869 -31946 6561.7 -38508 -38508 -3.4871 -14.65 0.40381 4.7098e+05 2024-05-18 02:14:42,660 INFO [main.py:798]
{rank 0/64} MD step = 269400 step time: 00:00:00.326675 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:14:48,892 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 269400 53880 60.191 -31894 6597 -38491 -38491 -3.485 -14.655 0.40424 4.7117e+05 2024-05-18 02:15:23,782 INFO [main.py:798]
{rank 0/64} MD step = 269500 step time: 00:00:00.372729 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:15:31,181 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 269500 53900 60.292 -31854 6608.1 -38462 -38462 -3.4832 -14.662 0.40326 4.7133e+05 2024-05-18 02:16:07,200 INFO [main.py:798]
{rank 0/64} MD step = 269600 step time: 00:00:00.378031 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:16:13,481 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 60.358 -31853 6615.3 -38468 -38468 -3.4794 -14.669 0.40357 4.7151e+05 2024-05-18 02:16:48,332 INFO [main.py:798]
{rank 0/64} MD step = 269700 step time: 00:00:00.353514 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:16:53,372 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 269700 53940 59.852 -31703 6559.9 -38263 -38263 -3.4763 -14.676 0.40468 4.7168e+05 2024-05-18 02:17:31,926 INFO [main.py:798]
{rank 0/64} MD step = 269800 step time: 00:00:00.376807 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:17:38,862 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 59.592 -31885 6531.4 -38416 -38416 -3.4717 -14.68 0.4057 4.7184e+05 2024-05-18 02:18:13,633 INFO [main.py:798]
{rank 0/64} MD step = 269900 step time: 00:00:00.351099 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:18:20,266 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 60.655 -31749 6647.9 -38397 -38397 -3.4677 -14.687 0.40819 4.7202e+05 2024-05-18 02:18:56,437 INFO [main.py:798]
{rank 0/64} MD step = 270000 step time: 00:00:00.329929 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:19:04,338 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 270000 54000 60.194 -31823 6597.3 -38420 -38420 -3.4649 -14.693 0.4076 4.7217e+05 2024-05-18 02:19:38,460 INFO [main.py:798]
{rank 0/64} MD step = 270100 step time: 00:00:00.336024 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:19:46,003 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 60.253 -31745 6603.8 -38349 -38349 -3.4619 -14.698 0.40749 4.7236e+05 2024-05-18 02:20:20,228 INFO [main.py:798]
{rank 0/64} MD step = 270200 step time: 00:00:00.344996 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:20:26,100 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 270200 54040 60.082 -31864 6585.1 -38449 -38449 -3.4595 -14.702 0.40691 4.7256e+05 2024-05-18 02:21:00,458 INFO [main.py:798]
{rank 0/64} MD step = 270300 step time: 00:00:00.342408 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:21:05,773 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 59.539 -32081 6525.5 -38607 -38607 -3.4568 -14.707 0.40834 4.727e+05 2024-05-18 02:21:40,471 INFO [main.py:798]
{rank 0/64} MD step = 270400 step time: 00:00:00.335172 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:21:45,928 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 59.879 -31967 6562.8 -38530 -38530 -3.4537 -14.713 0.41019 4.729e+05 2024-05-18 02:22:23,828 INFO [main.py:798]
{rank 0/64} MD step = 270500 step time: 00:00:00.343060 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:22:32,802 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 270500 54100 59.601 -31909 6532.3 -38441 -38441 -3.448 -14.719 0.41115 4.7304e+05 2024-05-18 02:23:07,303 INFO [main.py:798]
{rank 0/64} MD step = 270600 step time: 00:00:00.349289 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:23:13,751 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 270600 54120 60.292 -31743 6608 -38351 -38351 -3.4434 -14.724 0.41193 4.7322e+05 2024-05-18 02:23:48,019 INFO [main.py:798]
{rank 0/64} MD step = 270700 step time: 00:00:00.341821 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:23:54,002 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 270700 54140 60.054 -31815 6582 -38397 -38397 -3.4397 -14.731 0.41343 4.7342e+05 2024-05-18 02:24:28,768 INFO [main.py:798]
{rank 0/64} MD step = 270800 step time: 00:00:00.332702 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:24:35,015 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 270800 54160 59.542 -31936 6525.8 -38462 -38462 -3.4357 -14.737 0.41496 4.7356e+05 2024-05-18 02:25:11,801 INFO [main.py:798]
{rank 0/64} MD step = 270900 step time: 00:00:00.331041 Performance: 41.327 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:25:16,997 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 59.738 -31990 6547.4 -38537 -38537 -3.4337 -14.744 0.41688 4.7375e+05 2024-05-18 02:25:51,570 INFO [main.py:798]
{rank 0/64} MD step = 271000 step time: 00:00:00.329301 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:25:59,563 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 271000 54200 59.44 -31923 6514.7 -38437 -38437 -3.43 -14.75 0.41718 4.7396e+05 2024-05-18 02:26:34,319 INFO [main.py:798]
{rank 0/64} MD step = 271100 step time: 00:00:00.354129 Performance: 41.328 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:26:43,423 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 60.619 -31837 6643.9 -38480 -38480 -3.4273 -14.755 0.41865 4.741e+05 2024-05-18 02:27:19,534 INFO [main.py:798]
{rank 0/64} MD step = 271200 step time: 00:00:00.337991 Performance: 41.326 ns/day 0.581 hours/ns 2.392 steps/s 2024-05-18 02:27:29,917 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 271200 54240 60.107 -31863 6587.7 -38451 -38451 -3.4234 -14.759 0.42067 4.7429e+05 2024-05-18 02:28:06,504 INFO [main.py:798]
{rank 0/64} MD step = 271300 step time: 00:00:00.329143 Performance: 41.325 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-18 02:28:14,656 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 60.407 -31914 6620.7 -38535 -38535 -3.4224 -14.765 0.42094 4.7443e+05 2024-05-18 02:28:50,537 INFO [main.py:798]
{rank 0/64} MD step = 271400 step time: 00:00:00.330540 Performance: 41.324 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-18 02:28:56,707 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 59.843 -31862 6558.9 -38421 -38421 -3.4171 -14.772 0.42113 4.7461e+05 2024-05-18 02:29:31,105 INFO [main.py:798]
{rank 0/64} MD step = 271500 step time: 00:00:00.327795 Performance: 41.324 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-18 02:29:37,204 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 60.03 -31838 6579.3 -38418 -38418 -3.4121 -14.777 0.42069 4.7479e+05 2024-05-18 02:30:12,239 INFO [main.py:798]
{rank 0/64} MD step = 271600 step time: 00:00:00.336631 Performance: 41.324 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-18 02:30:18,943 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 271600 54320 59.858 -31992 6560.5 -38552 -38552 -3.4083 -14.783 0.42035 4.7495e+05 2024-05-18 02:30:54,131 INFO [main.py:798]
{rank 0/64} MD step = 271700 step time: 00:00:00.352667 Performance: 41.324 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-18 02:30:59,217 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 271700 54340 60.03 -31914 6579.4 -38494 -38494 -3.4044 -14.789 0.42032 4.7512e+05 2024-05-18 02:31:37,760 INFO [main.py:798]
{rank 0/64} MD step = 271800 step time: 00:00:00.334547 Performance: 41.324 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-18 02:31:42,936 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 271800 54360 60.586 -31947 6640.4 -38587 -38587 -3.3989 -14.796 0.41968 4.7528e+05 2024-05-18 02:32:17,602 INFO [main.py:798]
{rank 0/64} MD step = 271900 step time: 00:00:00.357403 Performance: 41.324 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-18 02:32:24,943 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 59.303 -32040 6499.7 -38540 -38540 -3.3961 -14.801 0.4206 4.7544e+05 2024-05-18 02:32:59,590 INFO [main.py:798]
{rank 0/64} MD step = 272000 step time: 00:00:00.341655 Performance: 41.324 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-18 02:33:06,586 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272000 54400 59.948 -31949 6570.4 -38519 -38519 -3.3925 -14.806 0.4207 4.7565e+05 2024-05-18 02:33:43,237 INFO [main.py:798]
{rank 0/64} MD step = 272100 step time: 00:00:00.370311 Performance: 41.324 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-18 02:34:13,178 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272100 54420 59.488 -31998 6519.9 -38518 -38518 -3.3891 -14.812 0.42077 4.7581e+05 2024-05-18 02:34:47,956 INFO [main.py:798]
{rank 0/64} MD step = 272200 step time: 00:00:00.358672 Performance: 41.315 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-18 02:34:54,438 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 60.579 -31842 6639.5 -38482 -38482 -3.3877 -14.819 0.41994 4.7599e+05 2024-05-18 02:35:41,296 INFO [main.py:798]
{rank 0/64} MD step = 272300 step time: 00:00:00.385707 Performance: 41.311 ns/day 0.581 hours/ns 2.391 steps/s 2024-05-18 02:36:34,133 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272300 54460 60.03 -31891 6579.4 -38470 -38470 -3.3817 -14.825 0.41898 4.7617e+05 2024-05-18 02:37:09,380 INFO [main.py:798]
{rank 0/64} MD step = 272400 step time: 00:00:00.349461 Performance: 41.295 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-18 02:37:25,773 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272400 54480 59.996 -31873 6575.6 -38448 -38448 -3.3769 -14.833 0.41979 4.7634e+05 2024-05-18 02:38:00,574 INFO [main.py:798]
{rank 0/64} MD step = 272500 step time: 00:00:00.370521 Performance: 41.291 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-18 02:38:08,980 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272500 54500 60.405 -31817 6620.4 -38437 -38437 -3.3728 -14.84 0.42054 4.7651e+05 2024-05-18 02:38:43,240 INFO [main.py:798]
{rank 0/64} MD step = 272600 step time: 00:00:00.351506 Performance: 41.291 ns/day 0.581 hours/ns 2.390 steps/s 2024-05-18 02:39:02,294 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272600 54520 59.974 -31898 6573.3 -38471 -38471 -3.369 -14.845 0.42124 4.7671e+05 2024-05-18 02:39:37,473 INFO [main.py:798]
{rank 0/64} MD step = 272700 step time: 00:00:00.356726 Performance: 41.286 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-18 02:39:45,892 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272700 54540 60.254 -31883 6603.9 -38487 -38487 -3.3652 -14.849 0.4216 4.7687e+05 2024-05-18 02:40:20,412 INFO [main.py:798]
{rank 0/64} MD step = 272800 step time: 00:00:00.341712 Performance: 41.286 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-18 02:40:41,122 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272800 54560 59.864 -31949 6561.2 -38510 -38510 -3.3622 -14.854 0.423 4.7702e+05 2024-05-18 02:41:19,849 INFO [main.py:798]
{rank 0/64} MD step = 272900 step time: 00:00:00.374500 Performance: 41.280 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-18 02:41:25,878 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272900 54580 60.17 -31900 6594.7 -38494 -38494 -3.3584 -14.859 0.4224 4.772e+05 2024-05-18 02:42:02,722 INFO [main.py:798]
{rank 0/64} MD step = 273000 step time: 00:00:00.381328 Performance: 41.279 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-18 02:42:11,043 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273000 54600 60.569 -31834 6638.5 -38473 -38473 -3.3542 -14.865 0.42265 4.7738e+05 2024-05-18 02:42:45,447 INFO [main.py:798]
{rank 0/64} MD step = 273100 step time: 00:00:00.354022 Performance: 41.279 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-18 02:42:53,603 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 59.556 -31912 6527.4 -38439 -38439 -3.351 -14.871 0.42295 4.7758e+05 2024-05-18 02:43:30,096 INFO [main.py:798]
{rank 0/64} MD step = 273200 step time: 00:00:00.377869 Performance: 41.278 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-18 02:43:38,667 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273200 54640 60.027 -31886 6579 -38465 -38465 -3.3485 -14.877 0.4237 4.7772e+05 2024-05-18 02:44:13,204 INFO [main.py:798]
{rank 0/64} MD step = 273300 step time: 00:00:00.353581 Performance: 41.277 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-18 02:44:22,538 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273300 54660 59.741 -31935 6547.7 -38483 -38483 -3.3436 -14.883 0.42497 4.7792e+05 2024-05-18 02:44:57,237 INFO [main.py:798]
{rank 0/64} MD step = 273400 step time: 00:00:00.349124 Performance: 41.277 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-18 02:45:08,758 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273400 54680 59.026 -31915 6469.3 -38384 -38384 -3.3381 -14.887 0.4256 4.7808e+05 2024-05-18 02:45:43,865 INFO [main.py:798]
{rank 0/64} MD step = 273500 step time: 00:00:00.344968 Performance: 41.275 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-18 02:45:50,263 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273500 54700 59.696 -31883 6542.7 -38426 -38426 -3.3338 -14.894 0.42616 4.7821e+05 2024-05-18 02:46:26,197 INFO [main.py:798]
{rank 0/64} MD step = 273600 step time: 00:00:00.341164 Performance: 41.275 ns/day 0.581 hours/ns 2.389 steps/s 2024-05-18 02:46:37,573 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273600 54720 60.397 -31861 6619.6 -38480 -38480 -3.329 -14.9 0.427 4.7837e+05 2024-05-18 02:47:12,770 INFO [main.py:798]
{rank 0/64} MD step = 273700 step time: 00:00:00.332847 Performance: 41.273 ns/day 0.581 hours/ns 2.388 steps/s 2024-05-18 02:47:25,112 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 59.566 -31876 6528.5 -38405 -38405 -3.324 -14.907 0.42736 4.7857e+05 2024-05-18 02:47:59,759 INFO [main.py:798]
{rank 0/64} MD step = 273800 step time: 00:00:00.328820 Performance: 41.271 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-18 02:48:07,161 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273800 54760 60.097 -31830 6586.7 -38417 -38417 -3.3192 -14.913 0.42747 4.7874e+05 2024-05-18 02:48:41,998 INFO [main.py:798]
{rank 0/64} MD step = 273900 step time: 00:00:00.331638 Performance: 41.271 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-18 02:48:47,867 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273900 54780 60.263 -31892 6604.9 -38497 -38497 -3.3147 -14.919 0.4266 4.7892e+05 2024-05-18 02:49:22,936 INFO [main.py:798]
{rank 0/64} MD step = 274000 step time: 00:00:00.349376 Performance: 41.271 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-18 02:49:29,702 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274000 54800 59.588 -31985 6530.9 -38515 -38515 -3.3098 -14.925 0.42853 4.7911e+05 2024-05-18 02:50:04,954 INFO [main.py:798]
{rank 0/64} MD step = 274100 step time: 00:00:00.348348 Performance: 41.271 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-18 02:50:19,598 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274100 54820 60.53 -31938 6634.2 -38572 -38572 -3.3075 -14.933 0.42879 4.7928e+05 2024-05-18 02:50:54,036 INFO [main.py:798]
{rank 0/64} MD step = 274200 step time: 00:00:00.356654 Performance: 41.269 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-18 02:51:02,654 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 59.939 -31957 6569.4 -38526 -38526 -3.3039 -14.938 0.42861 4.7943e+05 2024-05-18 02:51:37,209 INFO [main.py:798]
{rank 0/64} MD step = 274300 step time: 00:00:00.351237 Performance: 41.268 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-18 02:51:45,047 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 60.242 -31779 6602.6 -38381 -38381 -3.3009 -14.944 0.42882 4.7962e+05 2024-05-18 02:52:19,734 INFO [main.py:798]
{rank 0/64} MD step = 274400 step time: 00:00:00.343645 Performance: 41.268 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-18 02:52:38,567 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274400 54880 59.263 -31957 6495.3 -38453 -38453 -3.2977 -14.95 0.42985 4.7977e+05 2024-05-18 02:53:25,172 INFO [main.py:798]
{rank 0/64} MD step = 274500 step time: 00:00:00.358790 Performance: 41.260 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-18 02:53:36,659 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 60.164 -31882 6594.1 -38476 -38476 -3.2935 -14.956 0.43033 4.7994e+05 2024-05-18 02:54:11,013 INFO [main.py:798]
{rank 0/64} MD step = 274600 step time: 00:00:00.344629 Performance: 41.258 ns/day 0.582 hours/ns 2.388 steps/s 2024-05-18 02:54:30,213 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274600 54920 59.745 -31917 6548.1 -38465 -38465 -3.2905 -14.964 0.43072 4.8016e+05 2024-05-18 02:55:04,197 INFO [main.py:798]
{rank 0/64} MD step = 274700 step time: 00:00:00.356106 Performance: 41.254 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-18 02:55:08,953 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 59.986 -31789 6574.5 -38363 -38363 -3.2877 -14.971 0.43141 4.8033e+05 2024-05-18 02:55:45,006 INFO [main.py:798]
{rank 0/64} MD step = 274800 step time: 00:00:00.349918 Performance: 41.255 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-18 02:55:51,509 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274800 54960 61.086 -31875 6695.1 -38570 -38570 -3.2842 -14.977 0.43118 4.8046e+05 2024-05-18 02:56:25,834 INFO [main.py:798]
{rank 0/64} MD step = 274900 step time: 00:00:00.351543 Performance: 41.255 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-18 02:56:36,339 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 60.178 -31908 6595.6 -38504 -38504 -3.2797 -14.984 0.43361 4.8065e+05 2024-05-18 02:57:11,183 INFO [main.py:798]
{rank 0/64} MD step = 275000 step time: 00:00:00.353169 Performance: 41.254 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-18 02:57:26,292 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 58.816 -32002 6446.3 -38449 -38449 -3.2767 -14.99 0.43258 4.8085e+05 2024-05-18 02:58:00,677 INFO [main.py:798]
{rank 0/64} MD step = 275100 step time: 00:00:00.347259 Performance: 41.251 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-18 02:58:08,503 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 275100 55020 59.566 -32014 6528.5 -38543 -38543 -3.273 -14.994 0.43186 4.8103e+05 2024-05-18 02:58:43,003 INFO [main.py:798]
{rank 0/64} MD step = 275200 step time: 00:00:00.356297 Performance: 41.251 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-18 02:58:53,978 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 61.56 -31708 6747 -38455 -38455 -3.2693 -14.998 0.43127 4.8124e+05 2024-05-18 02:59:28,517 INFO [main.py:798]
{rank 0/64} MD step = 275300 step time: 00:00:00.353942 Performance: 41.250 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-18 02:59:47,202 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 275300 55060 59.795 -32053 6553.6 -38607 -38607 -3.2664 -15.002 0.4313 4.8139e+05 2024-05-18 03:00:22,566 INFO [main.py:798]
{rank 0/64} MD step = 275400 step time: 00:00:00.375666 Performance: 41.245 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-18 03:00:32,902 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 59.9 -31920 6565.1 -38485 -38485 -3.2611 -15.007 0.43093 4.8157e+05 2024-05-18 03:01:08,163 INFO [main.py:798]
{rank 0/64} MD step = 275500 step time: 00:00:00.353571 Performance: 41.244 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-18 03:01:17,322 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 275500 55100 59.592 -31945 6531.4 -38476 -38476 -3.2578 -15.013 0.43183 4.8172e+05 2024-05-18 03:01:51,955 INFO [main.py:798]
{rank 0/64} MD step = 275600 step time: 00:00:00.362101 Performance: 41.243 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-18 03:02:02,135 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 275600 55120 60.073 -31908 6584.1 -38492 -38492 -3.2526 -15.018 0.43341 4.8191e+05 2024-05-18 03:02:36,302 INFO [main.py:798]
{rank 0/64} MD step = 275700 step time: 00:00:00.343818 Performance: 41.242 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-18 03:02:47,437 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 58.597 -32010 6422.3 -38432 -38432 -3.2497 -15.023 0.43208 4.8208e+05 2024-05-18 03:03:22,281 INFO [main.py:798]
{rank 0/64} MD step = 275800 step time: 00:00:00.356896 Performance: 41.241 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-18 03:03:28,336 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 60.756 -31743 6658.9 -38402 -38402 -3.2474 -15.026 0.43147 4.8227e+05 2024-05-18 03:04:02,824 INFO [main.py:798]
{rank 0/64} MD step = 275900 step time: 00:00:00.360928 Performance: 41.241 ns/day 0.582 hours/ns 2.387 steps/s 2024-05-18 03:04:17,501 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 61.799 -31813 6773.3 -38586 -38586 -3.2426 -15.031 0.43196 4.8245e+05 2024-05-18 03:04:54,768 INFO [main.py:798]
{rank 0/64} MD step = 276000 step time: 00:00:00.336638 Performance: 41.238 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-18 03:05:06,693 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 276000 55200 60.874 -31805 6671.9 -38477 -38477 -3.2381 -15.037 0.4335 4.8265e+05 2024-05-18 03:05:41,035 INFO [main.py:798]
{rank 0/64} MD step = 276100 step time: 00:00:00.334626 Performance: 41.236 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-18 03:05:48,938 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 58.935 -32014 6459.4 -38474 -38474 -3.2325 -15.043 0.4338 4.8278e+05 2024-05-18 03:06:24,279 INFO [main.py:798]
{rank 0/64} MD step = 276200 step time: 00:00:00.333630 Performance: 41.236 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-18 03:06:29,471 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 276200 55240 60.57 -31917 6638.5 -38555 -38555 -3.2293 -15.048 0.43594 4.8295e+05 2024-05-18 03:07:04,229 INFO [main.py:798]
{rank 0/64} MD step = 276300 step time: 00:00:00.339212 Performance: 41.236 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-18 03:07:12,688 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 60.18 -31957 6595.8 -38553 -38553 -3.2254 -15.054 0.43635 4.8311e+05 2024-05-18 03:07:48,938 INFO [main.py:798]
{rank 0/64} MD step = 276400 step time: 00:00:00.330426 Performance: 41.235 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-18 03:08:02,100 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 276400 55280 59.364 -32006 6506.3 -38512 -38512 -3.2215 -15.059 0.43884 4.8327e+05 2024-05-18 03:08:36,489 INFO [main.py:798]
{rank 0/64} MD step = 276500 step time: 00:00:00.346231 Performance: 41.233 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-18 03:08:41,665 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 59.83 -32060 6557.4 -38618 -38618 -3.2193 -15.063 0.43989 4.8343e+05 2024-05-18 03:09:16,545 INFO [main.py:798]
{rank 0/64} MD step = 276600 step time: 00:00:00.338478 Performance: 41.234 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-18 03:09:23,008 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 276600 55320 60.541 -31934 6635.4 -38569 -38569 -3.2145 -15.07 0.44126 4.8361e+05 2024-05-18 03:09:57,470 INFO [main.py:798]
{rank 0/64} MD step = 276700 step time: 00:00:00.332297 Performance: 41.234 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-18 03:10:05,622 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 60.694 -31908 6652.1 -38560 -38560 -3.2121 -15.075 0.44058 4.8377e+05 2024-05-18 03:10:42,153 INFO [main.py:798]
{rank 0/64} MD step = 276800 step time: 00:00:00.328679 Performance: 41.233 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-18 03:10:52,081 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 276800 55360 60.694 -31942 6652.1 -38594 -38594 -3.2066 -15.082 0.44172 4.8396e+05 2024-05-18 03:11:27,332 INFO [main.py:798]
{rank 0/64} MD step = 276900 step time: 00:00:00.347431 Performance: 41.232 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-18 03:11:34,703 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 60.244 -31973 6602.9 -38576 -38576 -3.2035 -15.087 0.44387 4.8416e+05 2024-05-18 03:12:09,704 INFO [main.py:798]
{rank 0/64} MD step = 277000 step time: 00:00:00.331268 Performance: 41.232 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-18 03:12:18,416 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 59.954 -31906 6571 -38477 -38477 -3.2011 -15.092 0.44425 4.8433e+05 2024-05-18 03:12:55,107 INFO [main.py:798]
{rank 0/64} MD step = 277100 step time: 00:00:00.326607 Performance: 41.231 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-18 03:13:00,436 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277100 55420 59.714 -31894 6544.8 -38439 -38439 -3.1964 -15.1 0.44576 4.8454e+05 2024-05-18 03:13:35,883 INFO [main.py:798]
{rank 0/64} MD step = 277200 step time: 00:00:00.348987 Performance: 41.231 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-18 03:13:43,106 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277200 55440 60.03 -32033 6579.4 -38612 -38612 -3.1931 -15.107 0.44603 4.8467e+05 2024-05-18 03:14:17,732 INFO [main.py:798]
{rank 0/64} MD step = 277300 step time: 00:00:00.353490 Performance: 41.231 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-18 03:14:38,312 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277300 55460 59.839 -31885 6558.4 -38443 -38443 -3.1897 -15.113 0.44498 4.8488e+05 2024-05-18 03:15:13,696 INFO [main.py:798]
{rank 0/64} MD step = 277400 step time: 00:00:00.327172 Performance: 41.226 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-18 03:15:31,928 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277400 55480 60.406 -31972 6620.6 -38592 -38592 -3.1844 -15.119 0.44532 4.8505e+05 2024-05-18 03:16:06,468 INFO [main.py:798]
{rank 0/64} MD step = 277500 step time: 00:00:00.363678 Performance: 41.222 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-18 03:16:15,679 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 59.723 -32000 6545.7 -38545 -38545 -3.1797 -15.125 0.44456 4.8522e+05 2024-05-18 03:16:50,980 INFO [main.py:798]
{rank 0/64} MD step = 277600 step time: 00:00:00.377003 Performance: 41.222 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-18 03:16:57,217 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277600 55520 60.355 -31879 6614.9 -38494 -38494 -3.1766 -15.13 0.44521 4.8541e+05 2024-05-18 03:17:31,843 INFO [main.py:798]
{rank 0/64} MD step = 277700 step time: 00:00:00.351555 Performance: 41.222 ns/day 0.582 hours/ns 2.386 steps/s 2024-05-18 03:17:47,119 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 59.569 -31978 6528.9 -38507 -38507 -3.1731 -15.137 0.44403 4.8556e+05 2024-05-18 03:18:21,718 INFO [main.py:798]
{rank 0/64} MD step = 277800 step time: 00:00:00.340626 Performance: 41.219 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-18 03:18:27,628 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277800 55560 60.481 -31847 6628.8 -38476 -38476 -3.1705 -15.142 0.44389 4.8576e+05 2024-05-18 03:19:01,762 INFO [main.py:798]
{rank 0/64} MD step = 277900 step time: 00:00:00.331783 Performance: 41.220 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-18 03:19:07,485 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 60.394 -31929 6619.3 -38549 -38549 -3.1684 -15.148 0.44476 4.8587e+05 2024-05-18 03:19:42,110 INFO [main.py:798]
{rank 0/64} MD step = 278000 step time: 00:00:00.335877 Performance: 41.220 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-18 03:19:53,249 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 60.113 -31834 6588.5 -38422 -38422 -3.164 -15.153 0.44521 4.8605e+05 2024-05-18 03:20:27,588 INFO [main.py:798]
{rank 0/64} MD step = 278100 step time: 00:00:00.344838 Performance: 41.219 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-18 03:20:33,322 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278100 55620 60.333 -31787 6612.6 -38400 -38400 -3.159 -15.158 0.44557 4.8622e+05 2024-05-18 03:21:08,621 INFO [main.py:798]
{rank 0/64} MD step = 278200 step time: 00:00:00.344872 Performance: 41.219 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-18 03:21:15,373 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278200 55640 59.164 -32033 6484.5 -38517 -38517 -3.155 -15.164 0.4446 4.8639e+05 2024-05-18 03:21:49,931 INFO [main.py:798]
{rank 0/64} MD step = 278300 step time: 00:00:00.340104 Performance: 41.220 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-18 03:21:55,502 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278300 55660 60.152 -31925 6592.8 -38517 -38517 -3.1511 -15.169 0.44381 4.8657e+05 2024-05-18 03:22:30,132 INFO [main.py:798]
{rank 0/64} MD step = 278400 step time: 00:00:00.329135 Performance: 41.220 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-18 03:22:34,685 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 60.257 -31816 6604.2 -38421 -38421 -3.1485 -15.177 0.44427 4.8675e+05 2024-05-18 03:23:12,057 INFO [main.py:798]
{rank 0/64} MD step = 278500 step time: 00:00:00.325188 Performance: 41.220 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-18 03:23:24,308 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278500 55700 60.235 -31873 6601.9 -38475 -38475 -3.1437 -15.182 0.4449 4.8691e+05 2024-05-18 03:23:59,359 INFO [main.py:798]
{rank 0/64} MD step = 278600 step time: 00:00:00.333409 Performance: 41.218 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-18 03:24:09,827 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278600 55720 59.644 -31992 6537.1 -38529 -38529 -3.1387 -15.188 0.44547 4.8707e+05 2024-05-18 03:24:44,258 INFO [main.py:798]
{rank 0/64} MD step = 278700 step time: 00:00:00.331530 Performance: 41.217 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-18 03:24:51,062 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278700 55740 60.405 -31825 6620.5 -38446 -38446 -3.1328 -15.195 0.44603 4.8725e+05 2024-05-18 03:25:25,687 INFO [main.py:798]
{rank 0/64} MD step = 278800 step time: 00:00:00.356551 Performance: 41.217 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-18 03:25:35,151 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278800 55760 60.555 -31824 6636.9 -38461 -38461 -3.1299 -15.201 0.44741 4.874e+05 2024-05-18 03:26:09,559 INFO [main.py:798]
{rank 0/64} MD step = 278900 step time: 00:00:00.335459 Performance: 41.217 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-18 03:26:22,729 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278900 55780 60.52 -31894 6633 -38527 -38527 -3.1284 -15.208 0.44738 4.8758e+05 2024-05-18 03:26:56,746 INFO [main.py:798]
{rank 0/64} MD step = 279000 step time: 00:00:00.364159 Performance: 41.215 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-18 03:27:04,229 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 279000 55800 60.551 -31662 6636.5 -38298 -38298 -3.1244 -15.215 0.447 4.8776e+05 2024-05-18 03:27:38,331 INFO [main.py:798]
{rank 0/64} MD step = 279100 step time: 00:00:00.350698 Performance: 41.215 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-18 03:27:46,508 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 59.894 -31854 6564.4 -38419 -38419 -3.1195 -15.221 0.44586 4.8791e+05 2024-05-18 03:28:20,886 INFO [main.py:798]
{rank 0/64} MD step = 279200 step time: 00:00:00.343883 Performance: 41.215 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-18 03:28:29,604 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 279200 55840 60.209 -31984 6599 -38583 -38583 -3.1171 -15.228 0.44654 4.8807e+05 2024-05-18 03:29:04,017 INFO [main.py:798]
{rank 0/64} MD step = 279300 step time: 00:00:00.337182 Performance: 41.214 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-18 03:29:23,372 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 279300 55860 60.463 -31889 6626.8 -38516 -38516 -3.1137 -15.234 0.44673 4.8827e+05 2024-05-18 03:29:57,502 INFO [main.py:798]
{rank 0/64} MD step = 279400 step time: 00:00:00.342156 Performance: 41.210 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-18 03:30:17,752 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 60.463 -31792 6626.8 -38419 -38419 -3.1086 -15.241 0.4458 4.8844e+05 2024-05-18 03:30:52,219 INFO [main.py:798]
{rank 0/64} MD step = 279500 step time: 00:00:00.341032 Performance: 41.206 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-18 03:31:00,964 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 279500 55900 59.658 -31884 6538.6 -38422 -38422 -3.1049 -15.246 0.44622 4.886e+05 2024-05-18 03:31:36,819 INFO [main.py:798]
{rank 0/64} MD step = 279600 step time: 00:00:00.364748 Performance: 41.205 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-18 03:31:45,716 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 279600 55920 59.782 -31857 6552.2 -38409 -38409 -3.1038 -15.252 0.44574 4.8878e+05 2024-05-18 03:32:20,276 INFO [main.py:798]
{rank 0/64} MD step = 279700 step time: 00:00:00.347973 Performance: 41.204 ns/day 0.582 hours/ns 2.385 steps/s 2024-05-18 03:32:30,312 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 60.154 -31959 6592.9 -38552 -38552 -3.1016 -15.259 0.44703 4.8896e+05 2024-05-18 03:33:05,720 INFO [main.py:798]
{rank 0/64} MD step = 279800 step time: 00:00:00.343561 Performance: 41.203 ns/day 0.582 hours/ns 2.384 steps/s 2024-05-18 03:33:15,805 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 279800 55960 59.587 -31886 6530.8 -38416 -38416 -3.0989 -15.265 0.44665 4.8916e+05 2024-05-18 03:33:50,291 INFO [main.py:798]
{rank 0/64} MD step = 279900 step time: 00:00:00.331959 Performance: 41.202 ns/day 0.582 hours/ns 2.384 steps/s 2024-05-18 03:33:58,670 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 61.27 -31725 6715.3 -38440 -38440 -3.0948 -15.27 0.44743 4.8933e+05 2024-05-18 03:34:34,182 INFO [main.py:798]
{rank 0/64} MD step = 280000 step time: 00:00:00.356020 Performance: 41.201 ns/day 0.583 hours/ns 2.384 steps/s 2024-05-18 03:34:40,837 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280000 56000 60.053 -32043 6581.9 -38625 -38625 -3.0916 -15.277 0.44712 4.8948e+05 2024-05-18 03:35:16,803 INFO [main.py:798]
{rank 0/64} MD step = 280100 step time: 00:00:00.343100 Performance: 41.201 ns/day 0.583 hours/ns 2.384 steps/s 2024-05-18 03:35:22,485 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 61.065 -31731 6692.8 -38424 -38424 -3.0884 -15.282 0.44735 4.8965e+05 2024-05-18 03:35:58,676 INFO [main.py:798]
{rank 0/64} MD step = 280200 step time: 00:00:00.334484 Performance: 41.201 ns/day 0.583 hours/ns 2.384 steps/s 2024-05-18 03:36:04,445 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280200 56040 60.049 -31808 6581.5 -38389 -38389 -3.0832 -15.288 0.44708 4.8984e+05 2024-05-18 03:36:40,242 INFO [main.py:798]
{rank 0/64} MD step = 280300 step time: 00:00:00.332845 Performance: 41.201 ns/day 0.583 hours/ns 2.384 steps/s 2024-05-18 03:36:50,397 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280300 56060 59.644 -32013 6537 -38550 -38550 -3.0801 -15.295 0.4486 4.8999e+05 2024-05-18 03:37:24,783 INFO [main.py:798]
{rank 0/64} MD step = 280400 step time: 00:00:00.337700 Performance: 41.201 ns/day 0.583 hours/ns 2.384 steps/s 2024-05-18 03:37:35,458 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280400 56080 60.389 -31883 6618.7 -38501 -38501 -3.0759 -15.3 0.44936 4.9016e+05 2024-05-18 03:38:10,296 INFO [main.py:798]
{rank 0/64} MD step = 280500 step time: 00:00:00.335702 Performance: 41.199 ns/day 0.583 hours/ns 2.384 steps/s 2024-05-18 03:38:19,521 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 59.922 -31783 6567.5 -38351 -38351 -3.0695 -15.306 0.44947 4.9035e+05 2024-05-18 03:38:56,170 INFO [main.py:798]
{rank 0/64} MD step = 280600 step time: 00:00:00.331400 Performance: 41.198 ns/day 0.583 hours/ns 2.384 steps/s 2024-05-18 03:39:05,139 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280600 56120 59.576 -31924 6529.6 -38453 -38453 -3.0656 -15.312 0.44966 4.905e+05 2024-05-18 03:39:39,851 INFO [main.py:798]
{rank 0/64} MD step = 280700 step time: 00:00:00.330839 Performance: 41.197 ns/day 0.583 hours/ns 2.384 steps/s 2024-05-18 03:39:44,504 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280700 56140 60.144 -31873 6591.9 -38465 -38465 -3.0606 -15.318 0.44971 4.9068e+05 2024-05-18 03:40:22,813 INFO [main.py:798]
{rank 0/64} MD step = 280800 step time: 00:00:00.330757 Performance: 41.197 ns/day 0.583 hours/ns 2.384 steps/s 2024-05-18 03:40:28,583 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 60.427 -31805 6622.9 -38427 -38427 -3.0571 -15.323 0.45043 4.9088e+05 2024-05-18 03:41:03,552 INFO [main.py:798]
{rank 0/64} MD step = 280900 step time: 00:00:00.335300 Performance: 41.197 ns/day 0.583 hours/ns 2.384 steps/s 2024-05-18 03:41:10,016 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280900 56180 59.447 -31915 6515.5 -38430 -38430 -3.0503 -15.33 0.44915 4.9102e+05 2024-05-18 03:41:44,951 INFO [main.py:798]
{rank 0/64} MD step = 281000 step time: 00:00:00.340849 Performance: 41.198 ns/day 0.583 hours/ns 2.384 steps/s 2024-05-18 03:41:57,201 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281000 56200 59.141 -31803 6481.9 -38285 -38285 -3.0456 -15.336 0.45093 4.9122e+05 2024-05-18 03:42:31,777 INFO [main.py:798]
{rank 0/64} MD step = 281100 step time: 00:00:00.331215 Performance: 41.196 ns/day 0.583 hours/ns 2.384 steps/s 2024-05-18 03:42:40,031 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281100 56220 59.059 -31842 6472.9 -38315 -38315 -3.0418 -15.34 0.4513 4.9139e+05 2024-05-18 03:43:14,933 INFO [main.py:798]
{rank 0/64} MD step = 281200 step time: 00:00:00.331857 Performance: 41.195 ns/day 0.583 hours/ns 2.384 steps/s 2024-05-18 03:43:22,815 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281200 56240 60.443 -31700 6624.6 -38324 -38324 -3.038 -15.347 0.45159 4.9155e+05 2024-05-18 03:43:57,511 INFO [main.py:798]
{rank 0/64} MD step = 281300 step time: 00:00:00.351735 Performance: 41.195 ns/day 0.583 hours/ns 2.384 steps/s 2024-05-18 03:44:05,194 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281300 56260 59.439 -31780 6514.6 -38295 -38295 -3.0346 -15.354 0.45191 4.9171e+05 2024-05-18 03:44:39,863 INFO [main.py:798]
{rank 0/64} MD step = 281400 step time: 00:00:00.361095 Performance: 41.195 ns/day 0.583 hours/ns 2.384 steps/s 2024-05-18 03:44:47,231 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 59.767 -31688 6550.5 -38239 -38239 -3.0321 -15.359 0.45427 4.9194e+05 2024-05-18 03:45:21,347 INFO [main.py:798]
{rank 0/64} MD step = 281500 step time: 00:00:00.337118 Performance: 41.195 ns/day 0.583 hours/ns 2.384 steps/s 2024-05-18 03:45:36,903 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 60.34 -31690 6613.3 -38303 -38303 -3.0274 -15.364 0.45497 4.921e+05 2024-05-18 03:46:13,266 INFO [main.py:798]
{rank 0/64} MD step = 281600 step time: 00:00:00.366414 Performance: 41.192 ns/day 0.583 hours/ns 2.384 steps/s 2024-05-18 03:46:21,650 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281600 56320 60.175 -31894 6595.3 -38489 -38489 -3.0238 -15.37 0.45477 4.9223e+05 2024-05-18 03:46:56,552 INFO [main.py:798]
{rank 0/64} MD step = 281700 step time: 00:00:00.379950 Performance: 41.191 ns/day 0.583 hours/ns 2.384 steps/s 2024-05-18 03:47:01,873 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281700 56340 60.049 -31792 6581.5 -38373 -38373 -3.0197 -15.375 0.45614 4.9245e+05 2024-05-18 03:47:36,749 INFO [main.py:798]
{rank 0/64} MD step = 281800 step time: 00:00:00.358923 Performance: 41.192 ns/day 0.583 hours/ns 2.384 steps/s 2024-05-18 03:47:44,979 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281800 56360 60.225 -31910 6600.8 -38511 -38511 -3.0151 -15.381 0.4571 4.9257e+05 2024-05-18 03:48:19,370 INFO [main.py:798]
{rank 0/64} MD step = 281900 step time: 00:00:00.349201 Performance: 41.192 ns/day 0.583 hours/ns 2.384 steps/s 2024-05-18 03:48:25,608 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281900 56380 60.993 -31736 6684.9 -38421 -38421 -3.0123 -15.387 0.45707 4.9277e+05 2024-05-18 03:49:00,746 INFO [main.py:798]
{rank 0/64} MD step = 282000 step time: 00:00:00.342582 Performance: 41.192 ns/day 0.583 hours/ns 2.384 steps/s 2024-05-18 03:49:06,756 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 59.996 -31803 6575.6 -38378 -38378 -3.0086 -15.392 0.45656 4.9296e+05 2024-05-18 03:49:41,377 INFO [main.py:798]
{rank 0/64} MD step = 282100 step time: 00:00:00.335897 Performance: 41.192 ns/day 0.583 hours/ns 2.384 steps/s 2024-05-18 03:49:52,133 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 282100 56420 59.718 -31835 6545.1 -38380 -38380 -3.0034 -15.399 0.45672 4.9314e+05 2024-05-18 03:50:27,178 INFO [main.py:798]
{rank 0/64} MD step = 282200 step time: 00:00:00.337146 Performance: 41.191 ns/day 0.583 hours/ns 2.384 steps/s 2024-05-18 03:50:36,398 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 61.558 -31620 6746.8 -38366 -38366 -3.0007 -15.405 0.45678 4.933e+05 2024-05-18 03:51:11,289 INFO [main.py:798]
{rank 0/64} MD step = 282300 step time: 00:00:00.340092 Performance: 41.190 ns/day 0.583 hours/ns 2.384 steps/s 2024-05-18 03:51:18,366 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 282300 56460 60.067 -31815 6583.4 -38398 -38398 -2.9966 -15.41 0.45689 4.9346e+05 2024-05-18 03:51:53,398 INFO [main.py:798]
{rank 0/64} MD step = 282400 step time: 00:00:00.352587 Performance: 41.190 ns/day 0.583 hours/ns 2.384 steps/s 2024-05-18 03:52:23,414 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 282400 56480 60.301 -31794 6609.1 -38403 -38403 -2.9937 -15.416 0.45708 4.9365e+05 2024-05-18 03:52:58,288 INFO [main.py:798]
{rank 0/64} MD step = 282500 step time: 00:00:00.342345 Performance: 41.182 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 03:53:12,813 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 60.18 -31802 6595.8 -38397 -38397 -2.9895 -15.422 0.45774 4.9381e+05 2024-05-18 03:53:48,065 INFO [main.py:798]
{rank 0/64} MD step = 282600 step time: 00:00:00.333050 Performance: 41.179 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 03:54:06,629 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 282600 56520 59.046 -31821 6471.5 -38292 -38292 -2.9849 -15.427 0.45705 4.9396e+05 2024-05-18 03:54:41,835 INFO [main.py:798]
{rank 0/64} MD step = 282700 step time: 00:00:00.350852 Performance: 41.175 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 03:55:02,384 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 60.313 -31758 6610.4 -38368 -38368 -2.9821 -15.432 0.45705 4.9415e+05 2024-05-18 03:55:38,953 INFO [main.py:798]
{rank 0/64} MD step = 282800 step time: 00:00:00.348914 Performance: 41.170 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 03:55:52,372 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 60.641 -31877 6646.3 -38524 -38524 -2.9797 -15.438 0.45756 4.9432e+05 2024-05-18 03:56:27,957 INFO [main.py:798]
{rank 0/64} MD step = 282900 step time: 00:00:00.375264 Performance: 41.168 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 03:56:37,770 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 59.544 -31856 6526.1 -38382 -38382 -2.9756 -15.443 0.45852 4.945e+05 2024-05-18 03:57:13,376 INFO [main.py:798]
{rank 0/64} MD step = 283000 step time: 00:00:00.373075 Performance: 41.166 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 03:57:35,687 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 60.079 -31873 6584.8 -38458 -38458 -2.9686 -15.449 0.45845 4.9465e+05 2024-05-18 03:58:10,458 INFO [main.py:798]
{rank 0/64} MD step = 283100 step time: 00:00:00.358401 Performance: 41.161 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 03:58:16,757 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 283100 56620 59.971 -31858 6572.9 -38431 -38431 -2.9629 -15.456 0.45861 4.9483e+05 2024-05-18 03:58:54,108 INFO [main.py:798]
{rank 0/64} MD step = 283200 step time: 00:00:00.376112 Performance: 41.161 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 03:59:01,251 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 283200 56640 59.717 -31818 6545.1 -38363 -38363 -2.9569 -15.461 0.45896 4.9501e+05 2024-05-18 03:59:35,827 INFO [main.py:798]
{rank 0/64} MD step = 283300 step time: 00:00:00.355405 Performance: 41.161 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 03:59:54,317 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 283300 56660 59.771 -31983 6551 -38534 -38534 -2.9521 -15.466 0.45842 4.9514e+05 2024-05-18 04:00:29,258 INFO [main.py:798]
{rank 0/64} MD step = 283400 step time: 00:00:00.364120 Performance: 41.157 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 04:00:38,077 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 60.945 -31765 6679.6 -38444 -38444 -2.9498 -15.473 0.45942 4.9533e+05 2024-05-18 04:01:13,065 INFO [main.py:798]
{rank 0/64} MD step = 283500 step time: 00:00:00.342264 Performance: 41.156 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 04:01:17,960 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 283500 56700 60.52 -31868 6633.1 -38501 -38501 -2.9465 -15.478 0.46043 4.9548e+05 2024-05-18 04:01:53,206 INFO [main.py:798]
{rank 0/64} MD step = 283600 step time: 00:00:00.341949 Performance: 41.157 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 04:02:06,030 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 60.24 -31820 6602.4 -38422 -38422 -2.9448 -15.484 0.46086 4.9567e+05 2024-05-18 04:02:41,295 INFO [main.py:798]
{rank 0/64} MD step = 283700 step time: 00:00:00.355100 Performance: 41.155 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 04:02:51,772 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 59.485 -31803 6519.6 -38323 -38323 -2.9412 -15.49 0.46155 4.9589e+05 2024-05-18 04:03:26,814 INFO [main.py:798]
{rank 0/64} MD step = 283800 step time: 00:00:00.350243 Performance: 41.153 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 04:03:42,785 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 60.13 -31758 6590.4 -38348 -38348 -2.9396 -15.496 0.46064 4.9602e+05 2024-05-18 04:04:17,828 INFO [main.py:798]
{rank 0/64} MD step = 283900 step time: 00:00:00.333036 Performance: 41.150 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 04:04:26,378 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 283900 56780 60.113 -31651 6588.4 -38239 -38239 -2.9374 -15.5 0.45989 4.9623e+05 2024-05-18 04:05:01,639 INFO [main.py:798]
{rank 0/64} MD step = 284000 step time: 00:00:00.331175 Performance: 41.150 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 04:05:22,254 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 60.989 -31696 6684.4 -38380 -38380 -2.9334 -15.505 0.46142 4.9636e+05 2024-05-18 04:05:56,641 INFO [main.py:798]
{rank 0/64} MD step = 284100 step time: 00:00:00.370775 Performance: 41.145 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 04:06:04,448 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 284100 56820 59.509 -31913 6522.3 -38436 -38436 -2.9286 -15.511 0.46245 4.9654e+05 2024-05-18 04:06:39,064 INFO [main.py:798]
{rank 0/64} MD step = 284200 step time: 00:00:00.349372 Performance: 41.145 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 04:06:49,748 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 284200 56840 60.109 -31848 6588.1 -38436 -38436 -2.9271 -15.515 0.46315 4.9668e+05 2024-05-18 04:07:25,475 INFO [main.py:798]
{rank 0/64} MD step = 284300 step time: 00:00:00.332639 Performance: 41.144 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 04:07:30,511 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 284300 56860 60.237 -31868 6602.1 -38470 -38470 -2.9235 -15.522 0.46303 4.9683e+05 2024-05-18 04:08:06,373 INFO [main.py:798]
{rank 0/64} MD step = 284400 step time: 00:00:00.327846 Performance: 41.144 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 04:08:19,708 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 59.706 -31911 6543.8 -38455 -38455 -2.9179 -15.528 0.4644 4.97e+05 2024-05-18 04:08:54,807 INFO [main.py:798]
{rank 0/64} MD step = 284500 step time: 00:00:00.331184 Performance: 41.142 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 04:09:05,830 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 59.494 -31911 6520.6 -38432 -38432 -2.9155 -15.532 0.46572 4.9716e+05 2024-05-18 04:09:42,314 INFO [main.py:798]
{rank 0/64} MD step = 284600 step time: 00:00:00.342857 Performance: 41.140 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 04:09:50,637 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 59.75 -31996 6548.7 -38544 -38544 -2.9129 -15.537 0.46587 4.9732e+05 2024-05-18 04:10:24,869 INFO [main.py:798]
{rank 0/64} MD step = 284700 step time: 00:00:00.336423 Performance: 41.140 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 04:10:39,317 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 284700 56940 59.617 -31729 6534.1 -38263 -38263 -2.9095 -15.541 0.46711 4.9754e+05 2024-05-18 04:11:13,378 INFO [main.py:798]
{rank 0/64} MD step = 284800 step time: 00:00:00.353110 Performance: 41.137 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 04:11:21,238 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 284800 56960 59.883 -31890 6563.3 -38453 -38453 -2.9061 -15.549 0.46792 4.9772e+05 2024-05-18 04:11:56,593 INFO [main.py:798]
{rank 0/64} MD step = 284900 step time: 00:00:00.349107 Performance: 41.137 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 04:12:05,016 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 284900 56980 60.665 -31622 6649 -38271 -38271 -2.9016 -15.553 0.46781 4.9795e+05 2024-05-18 04:12:39,228 INFO [main.py:798]
{rank 0/64} MD step = 285000 step time: 00:00:00.354529 Performance: 41.137 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 04:12:47,983 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 285000 57000 60.756 -31595 6658.9 -38254 -38254 -2.8985 -15.558 0.46834 4.9813e+05 2024-05-18 04:13:23,076 INFO [main.py:798]
{rank 0/64} MD step = 285100 step time: 00:00:00.363058 Performance: 41.136 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 04:13:28,051 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 60.26 -31798 6604.6 -38403 -38403 -2.8943 -15.564 0.46752 4.9829e+05 2024-05-18 04:14:04,311 INFO [main.py:798]
{rank 0/64} MD step = 285200 step time: 00:00:00.342193 Performance: 41.136 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 04:14:12,193 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 61.185 -31665 6705.9 -38371 -38371 -2.8901 -15.569 0.46805 4.9846e+05 2024-05-18 04:14:47,769 INFO [main.py:798]
{rank 0/64} MD step = 285300 step time: 00:00:00.351577 Performance: 41.136 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 04:14:55,954 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 60.604 -31792 6642.3 -38434 -38434 -2.8877 -15.576 0.46825 4.9863e+05 2024-05-18 04:15:30,271 INFO [main.py:798]
{rank 0/64} MD step = 285400 step time: 00:00:00.337220 Performance: 41.136 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 04:15:35,645 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 285400 57080 59.835 -31923 6558 -38481 -38481 -2.8855 -15.581 0.46886 4.9882e+05 2024-05-18 04:16:12,882 INFO [main.py:798]
{rank 0/64} MD step = 285500 step time: 00:00:00.341395 Performance: 41.136 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 04:16:27,982 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 285500 57100 59.27 -31856 6496.1 -38352 -38352 -2.8831 -15.587 0.47005 4.9902e+05 2024-05-18 04:17:03,562 INFO [main.py:798]
{rank 0/64} MD step = 285600 step time: 00:00:00.327689 Performance: 41.133 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 04:17:16,333 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 285600 57120 60.284 -31664 6607.2 -38271 -38271 -2.8813 -15.592 0.47106 4.9921e+05 2024-05-18 04:17:50,465 INFO [main.py:798]
{rank 0/64} MD step = 285700 step time: 00:00:00.332098 Performance: 41.131 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 04:17:58,532 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 60.103 -31726 6587.4 -38313 -38313 -2.8763 -15.597 0.47039 4.9939e+05 2024-05-18 04:18:33,528 INFO [main.py:798]
{rank 0/64} MD step = 285800 step time: 00:00:00.328009 Performance: 41.131 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 04:18:43,674 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 285800 57160 59.67 -31877 6539.9 -38417 -38417 -2.8731 -15.601 0.47092 4.9954e+05 2024-05-18 04:19:18,076 INFO [main.py:798]
{rank 0/64} MD step = 285900 step time: 00:00:00.346599 Performance: 41.130 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 04:19:26,899 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 285900 57180 60.614 -31733 6643.4 -38376 -38376 -2.8688 -15.61 0.47205 4.9968e+05 2024-05-18 04:20:02,037 INFO [main.py:798]
{rank 0/64} MD step = 286000 step time: 00:00:00.348896 Performance: 41.129 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 04:20:13,974 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286000 57200 59.396 -31848 6509.9 -38358 -38358 -2.8662 -15.614 0.4753 4.9986e+05 2024-05-18 04:20:48,916 INFO [main.py:798]
{rank 0/64} MD step = 286100 step time: 00:00:00.341214 Performance: 41.127 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 04:20:57,622 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286100 57220 60.301 -31711 6609 -38320 -38320 -2.8614 -15.619 0.47477 5.0004e+05 2024-05-18 04:21:33,504 INFO [main.py:798]
{rank 0/64} MD step = 286200 step time: 00:00:00.358690 Performance: 41.126 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 04:21:41,782 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286200 57240 59.912 -31878 6566.4 -38444 -38444 -2.8568 -15.625 0.47606 5.0019e+05 2024-05-18 04:22:16,411 INFO [main.py:798]
{rank 0/64} MD step = 286300 step time: 00:00:00.338595 Performance: 41.126 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 04:22:33,634 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286300 57260 60.041 -31661 6580.6 -38241 -38241 -2.8533 -15.633 0.47721 5.0041e+05 2024-05-18 04:23:08,182 INFO [main.py:798]
{rank 0/64} MD step = 286400 step time: 00:00:00.348375 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 04:23:18,393 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286400 57280 59.344 -31930 6504.2 -38434 -38434 -2.8489 -15.638 0.47905 5.0053e+05 2024-05-18 04:23:52,924 INFO [main.py:798]
{rank 0/64} MD step = 286500 step time: 00:00:00.342256 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 04:24:01,973 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286500 57300 59.978 -31824 6573.6 -38398 -38398 -2.8455 -15.645 0.47984 5.007e+05 2024-05-18 04:24:36,510 INFO [main.py:798]
{rank 0/64} MD step = 286600 step time: 00:00:00.356263 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 04:24:50,387 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286600 57320 59.407 -31852 6511.1 -38363 -38363 -2.8413 -15.651 0.48095 5.0089e+05 2024-05-18 04:25:24,744 INFO [main.py:798]
{rank 0/64} MD step = 286700 step time: 00:00:00.344724 Performance: 41.119 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 04:25:31,160 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 59.514 -31800 6522.8 -38323 -38323 -2.8374 -15.656 0.48132 5.0106e+05 2024-05-18 04:26:05,675 INFO [main.py:798]
{rank 0/64} MD step = 286800 step time: 00:00:00.353272 Performance: 41.120 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 04:26:12,346 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 59.733 -31780 6546.8 -38327 -38327 -2.8347 -15.662 0.48138 5.0125e+05 2024-05-18 04:26:46,900 INFO [main.py:798]
{rank 0/64} MD step = 286900 step time: 00:00:00.354769 Performance: 41.120 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 04:26:54,150 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 60.901 -31739 6674.8 -38414 -38414 -2.8315 -15.668 0.48155 5.0139e+05 2024-05-18 04:27:29,215 INFO [main.py:798]
{rank 0/64} MD step = 287000 step time: 00:00:00.364829 Performance: 41.120 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 04:27:34,843 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 287000 57400 59.845 -31858 6559.1 -38417 -38417 -2.8285 -15.673 0.48236 5.0155e+05 2024-05-18 04:28:10,312 INFO [main.py:798]
{rank 0/64} MD step = 287100 step time: 00:00:00.361818 Performance: 41.120 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 04:28:16,181 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 60.24 -31748 6602.3 -38351 -38351 -2.8242 -15.677 0.48395 5.0174e+05 2024-05-18 04:28:50,923 INFO [main.py:798]
{rank 0/64} MD step = 287200 step time: 00:00:00.354666 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 04:29:01,863 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 287200 57440 60.403 -31865 6620.3 -38485 -38485 -2.8202 -15.684 0.48481 5.0191e+05 2024-05-18 04:29:38,720 INFO [main.py:798]
{rank 0/64} MD step = 287300 step time: 00:00:00.354597 Performance: 41.119 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 04:29:45,159 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 60.579 -31657 6639.6 -38296 -38296 -2.8176 -15.689 0.48551 5.0207e+05 2024-05-18 04:30:19,871 INFO [main.py:798]
{rank 0/64} MD step = 287400 step time: 00:00:00.423444 Performance: 41.119 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 04:30:27,111 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 287400 57480 59.734 -31824 6547 -38371 -38371 -2.814 -15.695 0.48715 5.0226e+05 2024-05-18 04:31:01,427 INFO [main.py:798]
{rank 0/64} MD step = 287500 step time: 00:00:00.354361 Performance: 41.119 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 04:31:08,387 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 59.328 -31823 6502.4 -38326 -38326 -2.8064 -15.7 0.48691 5.0241e+05 2024-05-18 04:31:43,761 INFO [main.py:798]
{rank 0/64} MD step = 287600 step time: 00:00:00.337812 Performance: 41.119 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 04:31:50,699 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 287600 57520 60.277 -31878 6606.5 -38485 -38485 -2.8025 -15.703 0.48593 5.0257e+05 2024-05-18 04:32:25,128 INFO [main.py:798]
{rank 0/64} MD step = 287700 step time: 00:00:00.351084 Performance: 41.119 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 04:32:37,397 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 287700 57540 60.485 -31848 6629.2 -38477 -38477 -2.8009 -15.711 0.48562 5.0274e+05 2024-05-18 04:33:11,678 INFO [main.py:798]
{rank 0/64} MD step = 287800 step time: 00:00:00.343199 Performance: 41.118 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 04:33:17,268 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 60.174 -31742 6595.1 -38337 -38337 -2.7987 -15.717 0.48639 5.0292e+05 2024-05-18 04:33:52,023 INFO [main.py:798]
{rank 0/64} MD step = 287900 step time: 00:00:00.355830 Performance: 41.118 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 04:33:59,086 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 60.308 -31824 6609.8 -38434 -38434 -2.7955 -15.722 0.48618 5.031e+05 2024-05-18 04:34:33,631 INFO [main.py:798]
{rank 0/64} MD step = 288000 step time: 00:00:00.345887 Performance: 41.118 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 04:34:40,723 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 60.421 -31867 6622.2 -38490 -38490 -2.7902 -15.728 0.48721 5.0325e+05 2024-05-18 04:35:15,333 INFO [main.py:798]
{rank 0/64} MD step = 288100 step time: 00:00:00.350300 Performance: 41.118 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 04:35:21,558 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 288100 57620 59.916 -31994 6566.8 -38561 -38561 -2.7854 -15.732 0.48713 5.0342e+05 2024-05-18 04:35:57,548 INFO [main.py:798]
{rank 0/64} MD step = 288200 step time: 00:00:00.362671 Performance: 41.118 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 04:36:03,667 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 288200 57640 59.919 -31928 6567.2 -38495 -38495 -2.7795 -15.737 0.48591 5.036e+05 2024-05-18 04:36:38,774 INFO [main.py:798]
{rank 0/64} MD step = 288300 step time: 00:00:00.378509 Performance: 41.119 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 04:36:46,695 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 288300 57660 60.494 -31902 6630.3 -38532 -38532 -2.7747 -15.743 0.48444 5.0376e+05 2024-05-18 04:37:21,649 INFO [main.py:798]
{rank 0/64} MD step = 288400 step time: 00:00:00.350812 Performance: 41.118 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 04:37:29,366 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 288400 57680 59.294 -32065 6498.7 -38564 -38564 -2.771 -15.748 0.48422 5.0394e+05 2024-05-18 04:38:05,598 INFO [main.py:798]
{rank 0/64} MD step = 288500 step time: 00:00:00.348736 Performance: 41.118 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 04:38:19,895 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 288500 57700 59.73 -32026 6546.5 -38572 -38572 -2.768 -15.755 0.48492 5.0409e+05 2024-05-18 04:38:54,793 INFO [main.py:798]
{rank 0/64} MD step = 288600 step time: 00:00:00.353076 Performance: 41.115 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 04:39:01,223 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 61.068 -31919 6693.2 -38612 -38612 -2.7653 -15.762 0.48544 5.0425e+05 2024-05-18 04:39:35,910 INFO [main.py:798]
{rank 0/64} MD step = 288700 step time: 00:00:00.350263 Performance: 41.116 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 04:39:42,023 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 61.282 -31842 6716.6 -38558 -38558 -2.7619 -15.767 0.4881 5.0443e+05 2024-05-18 04:40:17,315 INFO [main.py:798]
{rank 0/64} MD step = 288800 step time: 00:00:00.373573 Performance: 41.116 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 04:40:23,179 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 288800 57760 59.964 -32044 6572.1 -38616 -38616 -2.7579 -15.773 0.48884 5.046e+05 2024-05-18 04:40:58,053 INFO [main.py:798]
{rank 0/64} MD step = 288900 step time: 00:00:00.354776 Performance: 41.116 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 04:41:07,932 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 59.899 -31841 6565 -38406 -38406 -2.7556 -15.778 0.48797 5.0479e+05 2024-05-18 04:41:43,289 INFO [main.py:798]
{rank 0/64} MD step = 289000 step time: 00:00:00.348806 Performance: 41.115 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 04:41:49,605 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 60.217 -31946 6599.9 -38546 -38546 -2.7521 -15.784 0.48764 5.0492e+05 2024-05-18 04:42:24,207 INFO [main.py:798]
{rank 0/64} MD step = 289100 step time: 00:00:00.335167 Performance: 41.116 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 04:42:29,278 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 59.682 -31831 6541.2 -38372 -38372 -2.7484 -15.79 0.4889 5.0513e+05 2024-05-18 04:43:04,907 INFO [main.py:798]
{rank 0/64} MD step = 289200 step time: 00:00:00.341596 Performance: 41.116 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 04:43:16,697 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 289200 57840 60.173 -31860 6595.1 -38455 -38455 -2.7417 -15.796 0.48894 5.0528e+05 2024-05-18 04:43:52,067 INFO [main.py:798]
{rank 0/64} MD step = 289300 step time: 00:00:00.374650 Performance: 41.114 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 04:43:57,882 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 289300 57860 60.237 -31766 6602 -38368 -38368 -2.7367 -15.801 0.49188 5.055e+05 2024-05-18 04:44:32,621 INFO [main.py:798]
{rank 0/64} MD step = 289400 step time: 00:00:00.351911 Performance: 41.115 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 04:44:38,206 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 59.818 -31778 6556.1 -38335 -38335 -2.7335 -15.806 0.49316 5.0566e+05 2024-05-18 04:45:14,884 INFO [main.py:798]
{rank 0/64} MD step = 289500 step time: 00:00:00.375036 Performance: 41.115 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 04:45:21,371 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 289500 57900 60.533 -31881 6634.5 -38515 -38515 -2.7301 -15.811 0.49351 5.0582e+05 2024-05-18 04:45:56,441 INFO [main.py:798]
{rank 0/64} MD step = 289600 step time: 00:00:00.354447 Performance: 41.115 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 04:46:02,112 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 60.246 -31876 6603 -38479 -38479 -2.7272 -15.816 0.49379 5.0596e+05 2024-05-18 04:46:37,196 INFO [main.py:798]
{rank 0/64} MD step = 289700 step time: 00:00:00.378618 Performance: 41.115 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 04:46:42,863 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 289700 57940 59.817 -31889 6556 -38445 -38445 -2.7227 -15.822 0.49559 5.0614e+05 2024-05-18 04:47:18,295 INFO [main.py:798]
{rank 0/64} MD step = 289800 step time: 00:00:00.347566 Performance: 41.116 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 04:47:23,702 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 60.253 -31939 6603.9 -38543 -38543 -2.7194 -15.828 0.49811 5.0627e+05 2024-05-18 04:47:58,326 INFO [main.py:798]
{rank 0/64} MD step = 289900 step time: 00:00:00.346832 Performance: 41.116 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 04:48:03,799 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 59.443 -31919 6515 -38434 -38434 -2.7144 -15.833 0.50009 5.0648e+05 2024-05-18 04:48:37,437 INFO [main.py:798]
{rank 0/64} MD step = 290000 step time: 00:00:00.351327 Performance: 41.117 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 04:48:44,204 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 290000 58000 60.278 -31705 6606.5 -38312 -38312 -2.7108 -15.84 0.50144 5.0666e+05 2024-05-18 04:49:18,618 INFO [main.py:798]
{rank 0/64} MD step = 290100 step time: 00:00:00.339978 Performance: 41.118 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 04:49:27,513 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 61.054 -31736 6691.5 -38427 -38427 -2.7086 -15.847 0.50173 5.0681e+05 2024-05-18 04:50:01,088 INFO [main.py:798]
{rank 0/64} MD step = 290200 step time: 00:00:00.340932 Performance: 41.117 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 04:50:07,895 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 290200 58040 61.461 -31649 6736.2 -38385 -38385 -2.705 -15.852 0.50079 5.0702e+05 2024-05-18 04:50:42,243 INFO [main.py:798]
{rank 0/64} MD step = 290300 step time: 00:00:00.344033 Performance: 41.118 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 04:50:48,204 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 290300 58060 60.387 -31814 6618.5 -38432 -38432 -2.701 -15.857 0.50102 5.0718e+05 2024-05-18 04:51:23,594 INFO [main.py:798]
{rank 0/64} MD step = 290400 step time: 00:00:00.340747 Performance: 41.118 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 04:51:29,140 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 59.922 -31876 6567.5 -38444 -38444 -2.6965 -15.863 0.50079 5.0736e+05 2024-05-18 04:52:03,767 INFO [main.py:798]
{rank 0/64} MD step = 290500 step time: 00:00:00.332974 Performance: 41.119 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 04:52:11,664 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 290500 58100 59.669 -31862 6539.7 -38402 -38402 -2.6917 -15.869 0.50111 5.0756e+05 2024-05-18 04:52:47,371 INFO [main.py:798]
{rank 0/64} MD step = 290600 step time: 00:00:00.328874 Performance: 41.118 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 04:52:56,671 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 60.297 -31716 6608.6 -38325 -38325 -2.6859 -15.875 0.49999 5.0777e+05 2024-05-18 04:53:32,569 INFO [main.py:798]
{rank 0/64} MD step = 290700 step time: 00:00:00.358739 Performance: 41.117 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 04:53:37,777 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 290700 58140 59.785 -31804 6552.5 -38356 -38356 -2.6816 -15.881 0.50166 5.0791e+05 2024-05-18 04:54:12,441 INFO [main.py:798]
{rank 0/64} MD step = 290800 step time: 00:00:00.354397 Performance: 41.118 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 04:54:17,652 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 60.863 -31880 6670.7 -38550 -38550 -2.6768 -15.886 0.50213 5.081e+05 2024-05-18 04:54:51,961 INFO [main.py:798]
{rank 0/64} MD step = 290900 step time: 00:00:00.342200 Performance: 41.118 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 04:54:55,784 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 290900 58180 60.094 -31969 6586.4 -38556 -38556 -2.6714 -15.891 0.50262 5.0825e+05 2024-05-18 04:55:32,247 INFO [main.py:798]
{rank 0/64} MD step = 291000 step time: 00:00:00.353740 Performance: 41.119 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 04:55:37,571 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 59.311 -31968 6500.6 -38469 -38469 -2.6679 -15.895 0.50334 5.0845e+05 2024-05-18 04:56:12,011 INFO [main.py:798]
{rank 0/64} MD step = 291100 step time: 00:00:00.350549 Performance: 41.120 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 04:56:17,009 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 291100 58220 60.509 -31815 6631.9 -38447 -38447 -2.6635 -15.902 0.50534 5.0863e+05 2024-05-18 04:56:51,953 INFO [main.py:798]
{rank 0/64} MD step = 291200 step time: 00:00:00.331116 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 04:56:56,827 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 60.156 -31909 6593.2 -38502 -38502 -2.6597 -15.908 0.50609 5.0882e+05 2024-05-18 04:57:32,510 INFO [main.py:798]
{rank 0/64} MD step = 291300 step time: 00:00:00.343359 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 04:57:39,600 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 291300 58260 60.636 -31806 6645.8 -38452 -38452 -2.6553 -15.912 0.50534 5.09e+05 2024-05-18 04:58:14,303 INFO [main.py:798]
{rank 0/64} MD step = 291400 step time: 00:00:00.332521 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 04:58:20,037 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 291400 58280 60.261 -31790 6604.6 -38394 -38394 -2.652 -15.918 0.50649 5.0918e+05 2024-05-18 04:58:56,063 INFO [main.py:798]
{rank 0/64} MD step = 291500 step time: 00:00:00.332171 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 04:59:01,542 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 291500 58300 59.402 -31956 6510.5 -38466 -38466 -2.649 -15.925 0.50622 5.0933e+05 2024-05-18 04:59:36,567 INFO [main.py:798]
{rank 0/64} MD step = 291600 step time: 00:00:00.348822 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 04:59:42,094 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 60.534 -31746 6634.6 -38381 -38381 -2.6457 -15.931 0.50628 5.0953e+05 2024-05-18 05:00:18,365 INFO [main.py:798]
{rank 0/64} MD step = 291700 step time: 00:00:00.332417 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:00:22,677 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 291700 58340 59.433 -32012 6514 -38526 -38526 -2.6439 -15.936 0.50729 5.0967e+05 2024-05-18 05:00:58,803 INFO [main.py:798]
{rank 0/64} MD step = 291800 step time: 00:00:00.334755 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:01:04,739 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 60.167 -31895 6594.4 -38490 -38490 -2.6403 -15.941 0.50645 5.0985e+05 2024-05-18 05:01:39,886 INFO [main.py:798]
{rank 0/64} MD step = 291900 step time: 00:00:00.327854 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:01:47,891 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 59.956 -31808 6571.2 -38379 -38379 -2.6377 -15.947 0.50574 5.1007e+05 2024-05-18 05:02:23,061 INFO [main.py:798]
{rank 0/64} MD step = 292000 step time: 00:00:00.349041 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:02:30,912 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292000 58400 60.32 -31764 6611.1 -38375 -38375 -2.6375 -15.952 0.50494 5.1022e+05 2024-05-18 05:03:05,828 INFO [main.py:798]
{rank 0/64} MD step = 292100 step time: 00:00:00.334749 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:03:11,985 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 59.389 -31995 6509.1 -38504 -38504 -2.6353 -15.959 0.50492 5.1038e+05 2024-05-18 05:03:50,366 INFO [main.py:798]
{rank 0/64} MD step = 292200 step time: 00:00:00.330259 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:03:56,936 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 61.39 -31658 6728.4 -38386 -38386 -2.6324 -15.965 0.50567 5.1057e+05 2024-05-18 05:04:31,425 INFO [main.py:798]
{rank 0/64} MD step = 292300 step time: 00:00:00.328591 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:04:37,183 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292300 58460 59.844 -31912 6559 -38471 -38471 -2.6275 -15.971 0.50584 5.1072e+05 2024-05-18 05:05:12,135 INFO [main.py:798]
{rank 0/64} MD step = 292400 step time: 00:00:00.333596 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:05:20,524 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292400 58480 60.166 -31764 6594.3 -38358 -38358 -2.6226 -15.976 0.50487 5.1095e+05 2024-05-18 05:05:57,519 INFO [main.py:798]
{rank 0/64} MD step = 292500 step time: 00:00:00.331511 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:06:01,388 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292500 58500 60.281 -32006 6606.8 -38613 -38613 -2.6192 -15.982 0.50521 5.1105e+05 2024-05-18 05:06:38,143 INFO [main.py:798]
{rank 0/64} MD step = 292600 step time: 00:00:00.337800 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:06:44,770 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292600 58520 60.542 -31893 6635.4 -38529 -38529 -2.6148 -15.987 0.50563 5.1122e+05 2024-05-18 05:07:21,497 INFO [main.py:798]
{rank 0/64} MD step = 292700 step time: 00:00:00.337798 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:07:28,457 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292700 58540 60.254 -31866 6604 -38470 -38470 -2.6122 -15.993 0.50661 5.1141e+05 2024-05-18 05:08:05,298 INFO [main.py:798]
{rank 0/64} MD step = 292800 step time: 00:00:00.336547 Performance: 41.120 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:08:22,773 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 60.628 -31759 6645 -38404 -38404 -2.6093 -16 0.50691 5.1158e+05 2024-05-18 05:08:57,827 INFO [main.py:798]
{rank 0/64} MD step = 292900 step time: 00:00:00.346208 Performance: 41.117 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 05:09:01,657 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292900 58580 59.667 -31899 6539.6 -38438 -38438 -2.6063 -16.005 0.5086 5.1178e+05 2024-05-18 05:09:37,902 INFO [main.py:798]
{rank 0/64} MD step = 293000 step time: 00:00:00.382895 Performance: 41.117 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 05:09:43,633 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 293000 58600 59.51 -31832 6522.4 -38354 -38354 -2.6024 -16.009 0.51064 5.1194e+05 2024-05-18 05:10:18,811 INFO [main.py:798]
{rank 0/64} MD step = 293100 step time: 00:00:00.368432 Performance: 41.118 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 05:10:24,588 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 59.72 -31910 6545.4 -38455 -38455 -2.5998 -16.014 0.51146 5.1209e+05 2024-05-18 05:10:58,895 INFO [main.py:798]
{rank 0/64} MD step = 293200 step time: 00:00:00.350232 Performance: 41.118 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:11:06,411 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 60.002 -31843 6576.3 -38419 -38419 -2.5976 -16.02 0.51172 5.1225e+05 2024-05-18 05:11:41,055 INFO [main.py:798]
{rank 0/64} MD step = 293300 step time: 00:00:00.358216 Performance: 41.118 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:11:47,652 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 293300 58660 59.857 -31948 6560.4 -38509 -38509 -2.5958 -16.027 0.51197 5.124e+05 2024-05-18 05:12:22,569 INFO [main.py:798]
{rank 0/64} MD step = 293400 step time: 00:00:00.341003 Performance: 41.118 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:12:29,775 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 293400 58680 60.794 -31742 6663.1 -38405 -38405 -2.5935 -16.033 0.51218 5.1259e+05 2024-05-18 05:13:04,476 INFO [main.py:798]
{rank 0/64} MD step = 293500 step time: 00:00:00.356879 Performance: 41.119 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:13:10,145 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 59.127 -32024 6480.4 -38505 -38505 -2.5903 -16.037 0.51226 5.1275e+05 2024-05-18 05:13:46,282 INFO [main.py:798]
{rank 0/64} MD step = 293600 step time: 00:00:00.353155 Performance: 41.119 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:13:52,358 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 293600 58720 59.992 -32016 6575.2 -38591 -38591 -2.5897 -16.041 0.51311 5.1295e+05 2024-05-18 05:14:27,313 INFO [main.py:798]
{rank 0/64} MD step = 293700 step time: 00:00:00.379009 Performance: 41.119 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:14:36,174 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 61.236 -31805 6711.6 -38516 -38516 -2.589 -16.046 0.51452 5.1314e+05 2024-05-18 05:15:10,934 INFO [main.py:798]
{rank 0/64} MD step = 293800 step time: 00:00:00.352744 Performance: 41.118 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:15:18,468 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 60.332 -31864 6612.5 -38476 -38476 -2.5857 -16.051 0.51368 5.133e+05 2024-05-18 05:15:52,712 INFO [main.py:798]
{rank 0/64} MD step = 293900 step time: 00:00:00.352232 Performance: 41.118 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:15:58,400 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 293900 58780 60.291 -31771 6608 -38379 -38379 -2.5817 -16.057 0.51571 5.135e+05 2024-05-18 05:16:32,911 INFO [main.py:798]
{rank 0/64} MD step = 294000 step time: 00:00:00.335091 Performance: 41.119 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:16:39,465 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294000 58800 60.006 -31843 6576.8 -38420 -38420 -2.5767 -16.063 0.51511 5.1365e+05 2024-05-18 05:17:13,937 INFO [main.py:798]
{rank 0/64} MD step = 294100 step time: 00:00:00.344977 Performance: 41.119 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:17:21,399 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294100 58820 60.441 -31800 6624.4 -38424 -38424 -2.5749 -16.067 0.51494 5.1384e+05 2024-05-18 05:17:56,483 INFO [main.py:798]
{rank 0/64} MD step = 294200 step time: 00:00:00.358603 Performance: 41.119 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:18:05,114 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294200 58840 60.704 -31914 6653.3 -38567 -38567 -2.5697 -16.073 0.51717 5.1401e+05 2024-05-18 05:18:40,368 INFO [main.py:798]
{rank 0/64} MD step = 294300 step time: 00:00:00.360232 Performance: 41.119 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:18:46,323 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294300 58860 60.369 -31764 6616.6 -38381 -38381 -2.5662 -16.08 0.51864 5.142e+05 2024-05-18 05:19:20,837 INFO [main.py:798]
{rank 0/64} MD step = 294400 step time: 00:00:00.350303 Performance: 41.119 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:19:26,372 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 59.446 -32024 6515.3 -38539 -38539 -2.5634 -16.086 0.51941 5.1438e+05 2024-05-18 05:20:00,907 INFO [main.py:798]
{rank 0/64} MD step = 294500 step time: 00:00:00.343873 Performance: 41.120 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:20:07,223 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 60.647 -31869 6646.9 -38516 -38516 -2.5617 -16.09 0.51908 5.1456e+05 2024-05-18 05:20:41,820 INFO [main.py:798]
{rank 0/64} MD step = 294600 step time: 00:00:00.354506 Performance: 41.120 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:20:47,381 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 60.176 -31800 6595.4 -38395 -38395 -2.5596 -16.097 0.52026 5.1476e+05 2024-05-18 05:21:21,989 INFO [main.py:798]
{rank 0/64} MD step = 294700 step time: 00:00:00.348260 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:21:28,699 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294700 58940 59.807 -31897 6555 -38452 -38452 -2.5578 -16.102 0.52038 5.1494e+05 2024-05-18 05:22:03,029 INFO [main.py:798]
{rank 0/64} MD step = 294800 step time: 00:00:00.341222 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:22:07,139 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294800 58960 59.887 -31832 6563.6 -38396 -38396 -2.554 -16.107 0.51929 5.1512e+05 2024-05-18 05:22:43,173 INFO [main.py:798]
{rank 0/64} MD step = 294900 step time: 00:00:00.342266 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:22:52,230 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294900 58980 60.397 -31737 6619.6 -38357 -38357 -2.5508 -16.114 0.51939 5.153e+05 2024-05-18 05:23:26,739 INFO [main.py:798]
{rank 0/64} MD step = 295000 step time: 00:00:00.364689 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:23:33,056 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 59.975 -31774 6573.4 -38347 -38347 -2.5464 -16.118 0.51956 5.155e+05 2024-05-18 05:24:07,660 INFO [main.py:798]
{rank 0/64} MD step = 295100 step time: 00:00:00.344567 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:24:13,426 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 295100 59020 59.938 -31951 6569.3 -38520 -38520 -2.5425 -16.125 0.51941 5.1562e+05 2024-05-18 05:24:48,509 INFO [main.py:798]
{rank 0/64} MD step = 295200 step time: 00:00:00.350588 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:24:54,258 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 59.405 -31749 6510.9 -38260 -38260 -2.5405 -16.131 0.51813 5.158e+05 2024-05-18 05:25:29,433 INFO [main.py:798]
{rank 0/64} MD step = 295300 step time: 00:00:00.340733 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:25:34,447 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 295300 59060 60.483 -31896 6629 -38525 -38525 -2.5379 -16.137 0.51751 5.1595e+05 2024-05-18 05:26:09,420 INFO [main.py:798]
{rank 0/64} MD step = 295400 step time: 00:00:00.358001 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:26:15,498 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 295400 59080 60.216 -31816 6599.7 -38416 -38416 -2.5357 -16.141 0.51775 5.1618e+05 2024-05-18 05:26:49,908 INFO [main.py:798]
{rank 0/64} MD step = 295500 step time: 00:00:00.350666 Performance: 41.124 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:26:57,841 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 59.748 -31787 6548.5 -38336 -38336 -2.5334 -16.147 0.51948 5.1634e+05 2024-05-18 05:27:32,682 INFO [main.py:798]
{rank 0/64} MD step = 295600 step time: 00:00:00.340259 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:27:38,123 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 60.371 -31773 6616.7 -38390 -38390 -2.5298 -16.154 0.5201 5.1648e+05 2024-05-18 05:28:13,211 INFO [main.py:798]
{rank 0/64} MD step = 295700 step time: 00:00:00.362977 Performance: 41.124 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:28:17,828 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 295700 59140 60.244 -31753 6602.9 -38356 -38356 -2.5274 -16.16 0.52054 5.1666e+05 2024-05-18 05:28:52,835 INFO [main.py:798]
{rank 0/64} MD step = 295800 step time: 00:00:00.355966 Performance: 41.125 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:28:58,262 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 59.64 -31793 6536.6 -38330 -38330 -2.5244 -16.167 0.51997 5.1681e+05 2024-05-18 05:29:33,156 INFO [main.py:798]
{rank 0/64} MD step = 295900 step time: 00:00:00.339421 Performance: 41.125 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:29:37,324 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 295900 59180 59.08 -31944 6475.2 -38420 -38420 -2.5198 -16.174 0.52024 5.1699e+05 2024-05-18 05:30:13,304 INFO [main.py:798]
{rank 0/64} MD step = 296000 step time: 00:00:00.348110 Performance: 41.126 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:30:19,497 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296000 59200 59.185 -31939 6486.8 -38426 -38426 -2.5162 -16.18 0.52035 5.1715e+05 2024-05-18 05:30:54,118 INFO [main.py:798]
{rank 0/64} MD step = 296100 step time: 00:00:00.356046 Performance: 41.126 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:31:00,570 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296100 59220 60.744 -31689 6657.6 -38347 -38347 -2.5126 -16.185 0.52163 5.1733e+05 2024-05-18 05:31:34,988 INFO [main.py:798]
{rank 0/64} MD step = 296200 step time: 00:00:00.345639 Performance: 41.127 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:31:40,440 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296200 59240 60.058 -31818 6582.5 -38400 -38400 -2.5084 -16.19 0.5209 5.175e+05 2024-05-18 05:32:15,335 INFO [main.py:798]
{rank 0/64} MD step = 296300 step time: 00:00:00.352297 Performance: 41.127 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:32:21,352 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 59.87 -31953 6561.9 -38515 -38515 -2.504 -16.196 0.52 5.1765e+05 2024-05-18 05:32:56,750 INFO [main.py:798]
{rank 0/64} MD step = 296400 step time: 00:00:00.351046 Performance: 41.127 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:33:01,550 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296400 59280 60.474 -31641 6628 -38269 -38269 -2.5001 -16.202 0.52103 5.1786e+05 2024-05-18 05:33:37,720 INFO [main.py:798]
{rank 0/64} MD step = 296500 step time: 00:00:00.345173 Performance: 41.128 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:33:43,062 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296500 59300 59.899 -31847 6565 -38412 -38412 -2.4963 -16.209 0.52155 5.18e+05 2024-05-18 05:34:19,176 INFO [main.py:798]
{rank 0/64} MD step = 296600 step time: 00:00:00.383580 Performance: 41.128 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:34:28,110 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296600 59320 60.135 -31853 6590.8 -38443 -38443 -2.4912 -16.217 0.52124 5.1817e+05 2024-05-18 05:35:02,773 INFO [main.py:798]
{rank 0/64} MD step = 296700 step time: 00:00:00.344583 Performance: 41.127 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:35:09,134 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 59.959 -31818 6571.6 -38390 -38390 -2.4879 -16.221 0.52041 5.1832e+05 2024-05-18 05:35:45,245 INFO [main.py:798]
{rank 0/64} MD step = 296800 step time: 00:00:00.348936 Performance: 41.127 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:35:49,610 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296800 59360 59.364 -31915 6506.4 -38422 -38422 -2.4855 -16.225 0.52012 5.1849e+05 2024-05-18 05:36:25,216 INFO [main.py:798]
{rank 0/64} MD step = 296900 step time: 00:00:00.347628 Performance: 41.128 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:36:32,209 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296900 59380 59.733 -32003 6546.8 -38549 -38549 -2.4836 -16.231 0.51965 5.1865e+05 2024-05-18 05:37:07,423 INFO [main.py:798]
{rank 0/64} MD step = 297000 step time: 00:00:00.355821 Performance: 41.128 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:37:13,389 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297000 59400 60.177 -31929 6595.5 -38525 -38525 -2.4802 -16.236 0.52152 5.1879e+05 2024-05-18 05:37:49,574 INFO [main.py:798]
{rank 0/64} MD step = 297100 step time: 00:00:00.369374 Performance: 41.128 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:37:56,702 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297100 59420 60.503 -31751 6631.2 -38382 -38382 -2.4752 -16.242 0.52167 5.1901e+05 2024-05-18 05:38:31,520 INFO [main.py:798]
{rank 0/64} MD step = 297200 step time: 00:00:00.338871 Performance: 41.128 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:38:38,080 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297200 59440 59.558 -31802 6527.6 -38330 -38330 -2.4709 -16.247 0.51903 5.1918e+05 2024-05-18 05:39:12,593 INFO [main.py:798]
{rank 0/64} MD step = 297300 step time: 00:00:00.341408 Performance: 41.128 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:39:18,801 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 59.444 -31861 6515.2 -38376 -38376 -2.4674 -16.254 0.51929 5.1937e+05 2024-05-18 05:39:53,411 INFO [main.py:798]
{rank 0/64} MD step = 297400 step time: 00:00:00.348878 Performance: 41.128 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:39:59,992 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297400 59480 60.209 -31693 6599 -38292 -38292 -2.4631 -16.26 0.52011 5.1953e+05 2024-05-18 05:40:34,651 INFO [main.py:798]
{rank 0/64} MD step = 297500 step time: 00:00:00.350773 Performance: 41.129 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:40:39,873 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 60.231 -31768 6601.4 -38370 -38370 -2.4617 -16.266 0.52086 5.1968e+05 2024-05-18 05:41:14,457 INFO [main.py:798]
{rank 0/64} MD step = 297600 step time: 00:00:00.346000 Performance: 41.129 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:41:19,531 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297600 59520 59.686 -31884 6541.6 -38425 -38425 -2.4582 -16.273 0.52218 5.1984e+05 2024-05-18 05:41:54,044 INFO [main.py:798]
{rank 0/64} MD step = 297700 step time: 00:00:00.358717 Performance: 41.130 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:41:58,165 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297700 59540 60.504 -31699 6631.3 -38331 -38331 -2.4535 -16.277 0.5215 5.2005e+05 2024-05-18 05:42:34,339 INFO [main.py:798]
{rank 0/64} MD step = 297800 step time: 00:00:00.341668 Performance: 41.131 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:42:40,450 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297800 59560 60.078 -31840 6584.7 -38425 -38425 -2.4501 -16.283 0.52224 5.202e+05 2024-05-18 05:43:15,757 INFO [main.py:798]
{rank 0/64} MD step = 297900 step time: 00:00:00.373451 Performance: 41.131 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:43:21,862 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297900 59580 60.603 -31745 6642.2 -38388 -38388 -2.4473 -16.289 0.52323 5.204e+05 2024-05-18 05:43:58,769 INFO [main.py:798]
{rank 0/64} MD step = 298000 step time: 00:00:00.361683 Performance: 41.131 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:44:10,507 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 298000 59600 59.427 -31836 6513.3 -38349 -38349 -2.4439 -16.295 0.5239 5.2056e+05 2024-05-18 05:44:45,138 INFO [main.py:798]
{rank 0/64} MD step = 298100 step time: 00:00:00.342234 Performance: 41.129 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:44:49,590 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 298100 59620 60.365 -31909 6616.1 -38525 -38525 -2.4412 -16.299 0.52498 5.2074e+05 2024-05-18 05:45:25,765 INFO [main.py:798]
{rank 0/64} MD step = 298200 step time: 00:00:00.344244 Performance: 41.130 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:45:30,951 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 60.208 -31720 6598.9 -38318 -38318 -2.4369 -16.305 0.52452 5.2093e+05 2024-05-18 05:46:06,034 INFO [main.py:798]
{rank 0/64} MD step = 298300 step time: 00:00:00.377997 Performance: 41.130 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:46:10,604 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 298300 59660 60.475 -31830 6628.1 -38458 -38458 -2.4345 -16.311 0.52304 5.2108e+05 2024-05-18 05:46:46,343 INFO [main.py:798]
{rank 0/64} MD step = 298400 step time: 00:00:00.337255 Performance: 41.131 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:46:51,630 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 60.365 -31798 6616 -38414 -38414 -2.4299 -16.317 0.52202 5.2127e+05 2024-05-18 05:47:25,892 INFO [main.py:798]
{rank 0/64} MD step = 298500 step time: 00:00:00.348191 Performance: 41.132 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 05:47:31,257 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 298500 59700 60.877 -31608 6672.2 -38280 -38280 -2.4263 -16.323 0.52205 5.2147e+05 2024-05-18 05:48:07,165 INFO [main.py:798]
{rank 0/64} MD step = 298600 step time: 00:00:00.357055 Performance: 41.132 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 05:48:14,323 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 59.939 -31827 6569.3 -38396 -38396 -2.4246 -16.33 0.5238 5.2166e+05 2024-05-18 05:48:49,040 INFO [main.py:798]
{rank 0/64} MD step = 298700 step time: 00:00:00.346486 Performance: 41.132 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 05:48:54,743 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 298700 59740 59.62 -32028 6534.5 -38562 -38562 -2.4206 -16.334 0.52203 5.2177e+05 2024-05-18 05:49:31,032 INFO [main.py:798]
{rank 0/64} MD step = 298800 step time: 00:00:00.371742 Performance: 41.132 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 05:49:36,199 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 298800 59760 59.861 -31959 6560.8 -38520 -38520 -2.4154 -16.34 0.52047 5.2196e+05 2024-05-18 05:50:12,405 INFO [main.py:798]
{rank 0/64} MD step = 298900 step time: 00:00:00.373973 Performance: 41.132 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 05:50:19,936 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 59.506 -31948 6521.9 -38470 -38470 -2.4126 -16.347 0.51919 5.2217e+05 2024-05-18 05:50:56,087 INFO [main.py:798]
{rank 0/64} MD step = 299000 step time: 00:00:00.371901 Performance: 41.132 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 05:51:09,388 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299000 59800 59.79 -32076 6553.1 -38629 -38629 -2.4059 -16.353 0.51894 5.2231e+05 2024-05-18 05:51:45,471 INFO [main.py:798]
{rank 0/64} MD step = 299100 step time: 00:00:00.337143 Performance: 41.129 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:51:51,124 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299100 59820 59.815 -31969 6555.8 -38525 -38525 -2.402 -16.359 0.51801 5.225e+05 2024-05-18 05:52:25,669 INFO [main.py:798]
{rank 0/64} MD step = 299200 step time: 00:00:00.345853 Performance: 41.130 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:52:31,440 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299200 59840 60.413 -31951 6621.4 -38573 -38573 -2.3985 -16.364 0.5179 5.2271e+05 2024-05-18 05:53:06,175 INFO [main.py:798]
{rank 0/64} MD step = 299300 step time: 00:00:00.349841 Performance: 41.130 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:53:11,718 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 59.982 -31940 6574.1 -38514 -38514 -2.3955 -16.37 0.51879 5.2286e+05 2024-05-18 05:53:47,228 INFO [main.py:798]
{rank 0/64} MD step = 299400 step time: 00:00:00.349382 Performance: 41.131 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:53:55,920 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 60.168 -31874 6594.5 -38469 -38469 -2.3909 -16.377 0.52122 5.2306e+05 2024-05-18 05:54:30,874 INFO [main.py:798]
{rank 0/64} MD step = 299500 step time: 00:00:00.368196 Performance: 41.130 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:54:35,993 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299500 59900 59.242 -32034 6493 -38527 -38527 -2.3855 -16.382 0.52042 5.2327e+05 2024-05-18 05:55:11,035 INFO [main.py:798]
{rank 0/64} MD step = 299600 step time: 00:00:00.343998 Performance: 41.131 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:55:16,406 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299600 59920 60.365 -32017 6616.1 -38633 -38633 -2.3812 -16.389 0.52112 5.2342e+05 2024-05-18 05:55:50,981 INFO [main.py:798]
{rank 0/64} MD step = 299700 step time: 00:00:00.341536 Performance: 41.131 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 05:55:56,476 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 60.984 -31851 6683.9 -38535 -38535 -2.3775 -16.396 0.52182 5.236e+05 2024-05-18 05:56:31,885 INFO [main.py:798]
{rank 0/64} MD step = 299800 step time: 00:00:00.359362 Performance: 41.132 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 05:56:37,430 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299800 59960 59.907 -31973 6565.8 -38539 -38539 -2.3728 -16.402 0.52199 5.2375e+05 2024-05-18 05:57:12,333 INFO [main.py:798]
{rank 0/64} MD step = 299900 step time: 00:00:00.350817 Performance: 41.132 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 05:57:23,374 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299900 59980 59.745 -31872 6548.1 -38420 -38420 -2.3674 -16.408 0.52312 5.2392e+05 2024-05-18 05:57:59,203 INFO [main.py:798]
{rank 0/64} MD step = 300000 step time: 00:00:00.375612 Performance: 41.131 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 05:58:04,686 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 59.921 -31964 6567.4 -38532 -38532 -2.3641 -16.413 0.52195 5.2406e+05 2024-05-18 05:58:39,102 INFO [main.py:798]
{rank 0/64} MD step = 300100 step time: 00:00:00.356066 Performance: 41.131 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 05:58:45,002 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 60.508 -32003 6631.7 -38635 -38635 -2.3612 -16.417 0.52079 5.2423e+05 2024-05-18 05:59:19,946 INFO [main.py:798]
{rank 0/64} MD step = 300200 step time: 00:00:00.349825 Performance: 41.132 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 05:59:27,007 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300200 60040 60.6 -31786 6641.8 -38428 -38428 -2.357 -16.423 0.52046 5.2445e+05 2024-05-18 06:00:01,503 INFO [main.py:798]
{rank 0/64} MD step = 300300 step time: 00:00:00.347281 Performance: 41.132 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 06:00:07,574 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 59.849 -32026 6559.5 -38585 -38585 -2.3539 -16.429 0.52141 5.2462e+05 2024-05-18 06:00:42,507 INFO [main.py:798]
{rank 0/64} MD step = 300400 step time: 00:00:00.341873 Performance: 41.132 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 06:00:48,655 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300400 60080 60.473 -31777 6627.9 -38404 -38404 -2.3504 -16.435 0.52186 5.2483e+05 2024-05-18 06:01:23,479 INFO [main.py:798]
{rank 0/64} MD step = 300500 step time: 00:00:00.348761 Performance: 41.132 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 06:01:30,452 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300500 60100 60.393 -31894 6619.2 -38513 -38513 -2.3472 -16.44 0.52254 5.2503e+05 2024-05-18 06:02:05,482 INFO [main.py:798]
{rank 0/64} MD step = 300600 step time: 00:00:00.388243 Performance: 41.132 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 06:02:10,766 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 59.367 -31916 6506.7 -38423 -38423 -2.3441 -16.445 0.52131 5.2521e+05 2024-05-18 06:02:46,146 INFO [main.py:798]
{rank 0/64} MD step = 300700 step time: 00:00:00.341824 Performance: 41.133 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 06:02:51,355 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 59.535 -31767 6525.1 -38292 -38292 -2.3418 -16.449 0.52268 5.2537e+05 2024-05-18 06:03:26,229 INFO [main.py:798]
{rank 0/64} MD step = 300800 step time: 00:00:00.355377 Performance: 41.134 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 06:03:34,102 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 59.805 -31837 6554.7 -38392 -38392 -2.3393 -16.455 0.5239 5.2556e+05 2024-05-18 06:04:08,908 INFO [main.py:798]
{rank 0/64} MD step = 300900 step time: 00:00:00.356939 Performance: 41.133 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 06:04:14,482 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 60.897 -31738 6674.4 -38412 -38412 -2.3343 -16.461 0.525 5.2573e+05 2024-05-18 06:04:49,397 INFO [main.py:798]
{rank 0/64} MD step = 301000 step time: 00:00:00.375912 Performance: 41.134 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 06:04:54,874 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301000 60200 59.482 -31898 6519.3 -38417 -38417 -2.3334 -16.467 0.52774 5.2591e+05 2024-05-18 06:05:29,048 INFO [main.py:798]
{rank 0/64} MD step = 301100 step time: 00:00:00.344081 Performance: 41.135 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 06:05:35,191 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 60.445 -31841 6624.9 -38466 -38466 -2.3306 -16.473 0.52734 5.2605e+05 2024-05-18 06:06:11,767 INFO [main.py:798]
{rank 0/64} MD step = 301200 step time: 00:00:00.366997 Performance: 41.134 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 06:06:22,213 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301200 60240 60.528 -31944 6633.9 -38578 -38578 -2.3281 -16.479 0.52807 5.2622e+05 2024-05-18 06:06:58,326 INFO [main.py:798]
{rank 0/64} MD step = 301300 step time: 00:00:00.333599 Performance: 41.133 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 06:07:04,255 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 59.518 -31863 6523.3 -38386 -38386 -2.3245 -16.485 0.52878 5.2639e+05 2024-05-18 06:07:39,943 INFO [main.py:798]
{rank 0/64} MD step = 301400 step time: 00:00:00.335816 Performance: 41.133 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 06:07:46,075 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301400 60280 59.546 -31914 6526.3 -38441 -38441 -2.3214 -16.49 0.52883 5.2658e+05 2024-05-18 06:08:22,363 INFO [main.py:798]
{rank 0/64} MD step = 301500 step time: 00:00:00.349379 Performance: 41.133 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 06:08:30,386 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301500 60300 59.819 -31742 6556.2 -38299 -38299 -2.3177 -16.496 0.5286 5.2678e+05 2024-05-18 06:09:04,807 INFO [main.py:798]
{rank 0/64} MD step = 301600 step time: 00:00:00.331601 Performance: 41.133 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 06:09:13,586 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301600 60320 60.073 -31816 6584.1 -38400 -38400 -2.3131 -16.501 0.52881 5.2696e+05 2024-05-18 06:09:48,060 INFO [main.py:798]
{rank 0/64} MD step = 301700 step time: 00:00:00.337219 Performance: 41.132 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 06:09:55,906 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301700 60340 60.034 -31910 6579.8 -38489 -38489 -2.3094 -16.509 0.52891 5.2711e+05 2024-05-18 06:10:30,828 INFO [main.py:798]
{rank 0/64} MD step = 301800 step time: 00:00:00.326948 Performance: 41.132 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 06:10:37,318 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301800 60360 59.767 -32034 6550.6 -38584 -38584 -2.3061 -16.514 0.53047 5.2726e+05 2024-05-18 06:11:12,584 INFO [main.py:798]
{rank 0/64} MD step = 301900 step time: 00:00:00.390396 Performance: 41.132 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 06:11:19,812 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 60.267 -31953 6605.4 -38559 -38559 -2.3046 -16.518 0.5299 5.2744e+05 2024-05-18 06:11:57,120 INFO [main.py:798]
{rank 0/64} MD step = 302000 step time: 00:00:00.375945 Performance: 41.131 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 06:12:02,126 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 302000 60400 60.334 -31814 6612.6 -38427 -38427 -2.3021 -16.524 0.52993 5.2763e+05 2024-05-18 06:12:38,176 INFO [main.py:798]
{rank 0/64} MD step = 302100 step time: 00:00:00.330708 Performance: 41.132 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 06:12:43,048 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 60.052 -31963 6581.8 -38545 -38545 -2.3015 -16.53 0.52982 5.278e+05 2024-05-18 06:13:19,804 INFO [main.py:798]
{rank 0/64} MD step = 302200 step time: 00:00:00.348454 Performance: 41.132 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 06:13:28,661 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 59.881 -31923 6563 -38486 -38486 -2.2987 -16.536 0.52953 5.2803e+05 2024-05-18 06:14:04,604 INFO [main.py:798]
{rank 0/64} MD step = 302300 step time: 00:00:00.351037 Performance: 41.131 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:14:24,076 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 60.33 -32029 6612.3 -38642 -38642 -2.2981 -16.542 0.5311 5.2819e+05 2024-05-18 06:14:58,399 INFO [main.py:798]
{rank 0/64} MD step = 302400 step time: 00:00:00.342788 Performance: 41.127 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:15:03,546 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 60.229 -31968 6601.1 -38569 -38569 -2.2929 -16.547 0.53254 5.2837e+05 2024-05-18 06:15:38,132 INFO [main.py:798]
{rank 0/64} MD step = 302500 step time: 00:00:00.341771 Performance: 41.128 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:15:45,520 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 61.028 -31792 6688.8 -38481 -38481 -2.2908 -16.553 0.5347 5.2854e+05 2024-05-18 06:16:20,065 INFO [main.py:798]
{rank 0/64} MD step = 302600 step time: 00:00:00.360127 Performance: 41.128 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:16:24,863 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 302600 60520 59.326 -31938 6502.2 -38441 -38441 -2.2868 -16.558 0.53582 5.2872e+05 2024-05-18 06:16:59,358 INFO [main.py:798]
{rank 0/64} MD step = 302700 step time: 00:00:00.332542 Performance: 41.129 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:17:03,261 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 60.887 -31739 6673.3 -38412 -38412 -2.2833 -16.563 0.53574 5.2889e+05 2024-05-18 06:17:39,246 INFO [main.py:798]
{rank 0/64} MD step = 302800 step time: 00:00:00.331622 Performance: 41.129 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:17:45,398 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 302800 60560 60.226 -31830 6600.9 -38431 -38431 -2.2806 -16.568 0.53561 5.2905e+05 2024-05-18 06:18:19,608 INFO [main.py:798]
{rank 0/64} MD step = 302900 step time: 00:00:00.329051 Performance: 41.130 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:18:27,459 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 59.844 -31934 6558.9 -38493 -38493 -2.2759 -16.573 0.53736 5.2921e+05 2024-05-18 06:19:01,746 INFO [main.py:798]
{rank 0/64} MD step = 303000 step time: 00:00:00.350847 Performance: 41.130 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:19:08,244 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 59.082 -31907 6475.4 -38382 -38382 -2.2723 -16.58 0.53755 5.294e+05 2024-05-18 06:19:43,397 INFO [main.py:798]
{rank 0/64} MD step = 303100 step time: 00:00:00.349492 Performance: 41.130 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:19:51,985 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 303100 60620 59.524 -31982 6523.9 -38506 -38506 -2.2694 -16.586 0.53673 5.2957e+05 2024-05-18 06:20:26,719 INFO [main.py:798]
{rank 0/64} MD step = 303200 step time: 00:00:00.356415 Performance: 41.130 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:20:43,436 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 59.728 -31826 6546.2 -38373 -38373 -2.2658 -16.593 0.53637 5.2976e+05 2024-05-18 06:21:18,001 INFO [main.py:798]
{rank 0/64} MD step = 303300 step time: 00:00:00.358630 Performance: 41.127 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:21:24,261 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 59.393 -32002 6509.6 -38512 -38512 -2.2637 -16.598 0.53609 5.299e+05 2024-05-18 06:21:59,137 INFO [main.py:798]
{rank 0/64} MD step = 303400 step time: 00:00:00.348019 Performance: 41.127 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:22:07,746 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 59.93 -31786 6568.4 -38355 -38355 -2.2612 -16.603 0.53571 5.301e+05 2024-05-18 06:22:41,998 INFO [main.py:798]
{rank 0/64} MD step = 303500 step time: 00:00:00.333693 Performance: 41.127 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:22:53,881 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 303500 60700 59.923 -32025 6567.6 -38592 -38592 -2.2582 -16.609 0.53592 5.3025e+05 2024-05-18 06:23:29,358 INFO [main.py:798]
{rank 0/64} MD step = 303600 step time: 00:00:00.367164 Performance: 41.125 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:23:35,287 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 59.944 -32065 6570 -38635 -38635 -2.2546 -16.616 0.53677 5.3041e+05 2024-05-18 06:24:10,402 INFO [main.py:798]
{rank 0/64} MD step = 303700 step time: 00:00:00.342709 Performance: 41.125 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:24:15,209 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 59.157 -32054 6483.7 -38537 -38537 -2.2522 -16.622 0.53635 5.306e+05 2024-05-18 06:24:51,362 INFO [main.py:798]
{rank 0/64} MD step = 303800 step time: 00:00:00.342766 Performance: 41.126 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:24:57,088 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 303800 60760 60.95 -31893 6680.2 -38573 -38573 -2.2517 -16.628 0.5372 5.3079e+05 2024-05-18 06:25:31,900 INFO [main.py:798]
{rank 0/64} MD step = 303900 step time: 00:00:00.368263 Performance: 41.126 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:25:37,144 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 59.273 -32060 6496.4 -38556 -38556 -2.2485 -16.633 0.5371 5.3096e+05 2024-05-18 06:26:13,160 INFO [main.py:798]
{rank 0/64} MD step = 304000 step time: 00:00:00.376909 Performance: 41.126 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:26:20,218 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304000 60800 60.676 -31959 6650.1 -38609 -38609 -2.2443 -16.638 0.53649 5.3115e+05 2024-05-18 06:26:56,005 INFO [main.py:798]
{rank 0/64} MD step = 304100 step time: 00:00:00.354175 Performance: 41.126 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:27:02,602 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304100 60820 59.703 -31932 6543.5 -38475 -38475 -2.2413 -16.644 0.53716 5.3134e+05 2024-05-18 06:27:38,172 INFO [main.py:798]
{rank 0/64} MD step = 304200 step time: 00:00:00.354466 Performance: 41.126 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:27:45,885 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304200 60840 60.208 -31771 6598.8 -38370 -38370 -2.2372 -16.65 0.5371 5.3153e+05 2024-05-18 06:28:20,275 INFO [main.py:798]
{rank 0/64} MD step = 304300 step time: 00:00:00.370840 Performance: 41.126 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:28:25,377 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304300 60860 60.219 -31904 6600.1 -38504 -38504 -2.2331 -16.657 0.53832 5.3165e+05 2024-05-18 06:29:00,423 INFO [main.py:798]
{rank 0/64} MD step = 304400 step time: 00:00:00.348164 Performance: 41.126 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:29:05,966 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 59.883 -31893 6563.2 -38457 -38457 -2.2287 -16.661 0.53811 5.3183e+05 2024-05-18 06:29:41,083 INFO [main.py:798]
{rank 0/64} MD step = 304500 step time: 00:00:00.382124 Performance: 41.127 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:29:47,437 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 60.474 -31895 6628 -38523 -38523 -2.2261 -16.668 0.54079 5.32e+05 2024-05-18 06:30:22,078 INFO [main.py:798]
{rank 0/64} MD step = 304600 step time: 00:00:00.343609 Performance: 41.127 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:30:27,666 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304600 60920 59.354 -31977 6505.2 -38482 -38482 -2.2243 -16.673 0.54072 5.3218e+05 2024-05-18 06:31:02,493 INFO [main.py:798]
{rank 0/64} MD step = 304700 step time: 00:00:00.353300 Performance: 41.128 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:31:07,359 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304700 60940 60.144 -31807 6591.8 -38399 -38399 -2.2222 -16.68 0.5406 5.3233e+05 2024-05-18 06:31:43,452 INFO [main.py:798]
{rank 0/64} MD step = 304800 step time: 00:00:00.343342 Performance: 41.128 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:31:53,984 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304800 60960 59.226 -31930 6491.3 -38422 -38422 -2.223 -16.684 0.54115 5.3253e+05 2024-05-18 06:32:28,815 INFO [main.py:798]
{rank 0/64} MD step = 304900 step time: 00:00:00.350065 Performance: 41.127 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:32:34,192 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 59.73 -31832 6546.5 -38379 -38379 -2.2228 -16.689 0.54225 5.3271e+05 2024-05-18 06:33:09,140 INFO [main.py:798]
{rank 0/64} MD step = 305000 step time: 00:00:00.344289 Performance: 41.128 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:33:15,199 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 305000 61000 59.914 -31832 6566.7 -38399 -38399 -2.2208 -16.695 0.54159 5.3289e+05 2024-05-18 06:33:50,253 INFO [main.py:798]
{rank 0/64} MD step = 305100 step time: 00:00:00.342386 Performance: 41.128 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:33:55,507 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 305100 61020 60.781 -31734 6661.7 -38396 -38396 -2.2199 -16.7 0.54148 5.3306e+05 2024-05-18 06:34:31,312 INFO [main.py:798]
{rank 0/64} MD step = 305200 step time: 00:00:00.357834 Performance: 41.128 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:34:37,491 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 305200 61040 59.712 -31850 6544.5 -38395 -38395 -2.2163 -16.706 0.54242 5.3324e+05 2024-05-18 06:35:12,426 INFO [main.py:798]
{rank 0/64} MD step = 305300 step time: 00:00:00.349952 Performance: 41.128 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:35:19,260 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 61.574 -31654 6748.5 -38403 -38403 -2.2144 -16.712 0.54288 5.334e+05 2024-05-18 06:35:54,814 INFO [main.py:798]
{rank 0/64} MD step = 305400 step time: 00:00:00.353573 Performance: 41.128 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:36:04,223 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 60.537 -31773 6634.9 -38407 -38407 -2.2093 -16.72 0.54307 5.3358e+05 2024-05-18 06:36:38,514 INFO [main.py:798]
{rank 0/64} MD step = 305500 step time: 00:00:00.347787 Performance: 41.128 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:36:44,467 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 60.539 -31807 6635.1 -38442 -38442 -2.2086 -16.727 0.54592 5.3374e+05 2024-05-18 06:37:19,558 INFO [main.py:798]
{rank 0/64} MD step = 305600 step time: 00:00:00.354235 Performance: 41.128 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:37:26,201 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 305600 61120 59.07 -31926 6474.2 -38400 -38400 -2.2053 -16.732 0.54647 5.3393e+05 2024-05-18 06:38:01,009 INFO [main.py:798]
{rank 0/64} MD step = 305700 step time: 00:00:00.355724 Performance: 41.128 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:38:06,266 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 60.234 -31773 6601.7 -38374 -38374 -2.2035 -16.737 0.5476 5.341e+05 2024-05-18 06:38:41,113 INFO [main.py:798]
{rank 0/64} MD step = 305800 step time: 00:00:00.359424 Performance: 41.129 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:38:47,198 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 305800 61160 60.546 -31842 6635.9 -38478 -38478 -2.2005 -16.742 0.5491 5.3426e+05 2024-05-18 06:39:22,242 INFO [main.py:798]
{rank 0/64} MD step = 305900 step time: 00:00:00.375931 Performance: 41.129 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:39:30,351 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 60.459 -31918 6626.4 -38544 -38544 -2.1976 -16.748 0.5507 5.3446e+05 2024-05-18 06:40:05,043 INFO [main.py:798]
{rank 0/64} MD step = 306000 step time: 00:00:00.353557 Performance: 41.129 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:40:09,410 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 306000 61200 60.458 -31798 6626.2 -38424 -38424 -2.1941 -16.753 0.55123 5.3463e+05 2024-05-18 06:40:45,436 INFO [main.py:798]
{rank 0/64} MD step = 306100 step time: 00:00:00.355285 Performance: 41.129 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:40:50,321 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 306100 61220 59.562 -31917 6528 -38445 -38445 -2.1923 -16.758 0.55155 5.348e+05 2024-05-18 06:41:24,836 INFO [main.py:798]
{rank 0/64} MD step = 306200 step time: 00:00:00.354686 Performance: 41.130 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:41:30,263 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 306200 61240 60.195 -31855 6597.4 -38452 -38452 -2.1909 -16.764 0.55113 5.3497e+05 2024-05-18 06:42:04,840 INFO [main.py:798]
{rank 0/64} MD step = 306300 step time: 00:00:00.356386 Performance: 41.131 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:42:10,992 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 59.87 -31824 6561.8 -38386 -38386 -2.1897 -16.77 0.55176 5.3517e+05 2024-05-18 06:42:45,815 INFO [main.py:798]
{rank 0/64} MD step = 306400 step time: 00:00:00.350989 Performance: 41.131 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 06:42:53,110 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 306400 61280 59.853 -31806 6559.9 -38366 -38366 -2.1878 -16.779 0.5523 5.3534e+05 2024-05-18 06:43:27,940 INFO [main.py:798]
{rank 0/64} MD step = 306500 step time: 00:00:00.346032 Performance: 41.131 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 06:43:32,561 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 306500 61300 60.257 -31844 6604.2 -38448 -38448 -2.1872 -16.786 0.55258 5.355e+05 2024-05-18 06:44:09,861 INFO [main.py:798]
{rank 0/64} MD step = 306600 step time: 00:00:00.343675 Performance: 41.131 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 06:44:16,083 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 59.841 -31849 6558.7 -38407 -38407 -2.1842 -16.791 0.55408 5.3569e+05 2024-05-18 06:44:51,312 INFO [main.py:798]
{rank 0/64} MD step = 306700 step time: 00:00:00.383217 Performance: 41.131 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 06:45:01,563 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 60.302 -31794 6609.2 -38403 -38403 -2.1825 -16.797 0.55418 5.3588e+05 2024-05-18 06:45:36,917 INFO [main.py:798]
{rank 0/64} MD step = 306800 step time: 00:00:00.340071 Performance: 41.130 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:45:41,575 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 306800 61360 59.802 -31962 6554.4 -38517 -38517 -2.184 -16.801 0.55485 5.3604e+05 2024-05-18 06:46:16,443 INFO [main.py:798]
{rank 0/64} MD step = 306900 step time: 00:00:00.334453 Performance: 41.131 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:46:24,516 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 306900 61380 59.376 -31947 6507.7 -38455 -38455 -2.1847 -16.806 0.55571 5.3624e+05 2024-05-18 06:47:00,229 INFO [main.py:798]
{rank 0/64} MD step = 307000 step time: 00:00:00.335664 Performance: 41.131 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:47:06,153 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 307000 61400 60.113 -31727 6588.5 -38316 -38316 -2.1835 -16.812 0.55579 5.3644e+05 2024-05-18 06:47:41,817 INFO [main.py:798]
{rank 0/64} MD step = 307100 step time: 00:00:00.337041 Performance: 41.131 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:47:50,534 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 59.774 -31895 6551.3 -38447 -38447 -2.1799 -16.819 0.5574 5.3659e+05 2024-05-18 06:48:26,749 INFO [main.py:798]
{rank 0/64} MD step = 307200 step time: 00:00:00.345862 Performance: 41.130 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:48:33,505 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 58.331 -32109 6393.1 -38502 -38502 -2.179 -16.825 0.55784 5.3675e+05 2024-05-18 06:49:08,065 INFO [main.py:798]
{rank 0/64} MD step = 307300 step time: 00:00:00.326597 Performance: 41.130 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:49:13,511 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 60.253 -31816 6603.8 -38419 -38419 -2.1741 -16.831 0.55721 5.3694e+05 2024-05-18 06:49:49,493 INFO [main.py:798]
{rank 0/64} MD step = 307400 step time: 00:00:00.326938 Performance: 41.130 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:49:54,375 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 307400 61480 59.964 -31921 6572.1 -38493 -38493 -2.1732 -16.837 0.55767 5.3714e+05 2024-05-18 06:50:29,457 INFO [main.py:798]
{rank 0/64} MD step = 307500 step time: 00:00:00.352204 Performance: 41.131 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:50:50,354 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 307500 61500 60.799 -31865 6663.6 -38528 -38528 -2.1705 -16.843 0.55816 5.3731e+05 2024-05-18 06:51:25,327 INFO [main.py:798]
{rank 0/64} MD step = 307600 step time: 00:00:00.349728 Performance: 41.126 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:51:30,487 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 60.095 -31915 6586.5 -38502 -38502 -2.1701 -16.848 0.55889 5.3752e+05 2024-05-18 06:52:05,597 INFO [main.py:798]
{rank 0/64} MD step = 307700 step time: 00:00:00.354714 Performance: 41.127 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:52:13,599 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 307700 61540 61.264 -31795 6714.6 -38510 -38510 -2.1666 -16.855 0.55971 5.377e+05 2024-05-18 06:52:48,761 INFO [main.py:798]
{rank 0/64} MD step = 307800 step time: 00:00:00.353380 Performance: 41.127 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:52:53,873 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 307800 61560 60.691 -31691 6651.8 -38343 -38343 -2.1629 -16.861 0.55927 5.3789e+05 2024-05-18 06:53:28,965 INFO [main.py:798]
{rank 0/64} MD step = 307900 step time: 00:00:00.362977 Performance: 41.127 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:53:35,211 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 60.886 -31855 6673.2 -38528 -38528 -2.161 -16.868 0.56009 5.3804e+05 2024-05-18 06:54:11,576 INFO [main.py:798]
{rank 0/64} MD step = 308000 step time: 00:00:00.378453 Performance: 41.127 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:54:17,279 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 60.177 -32002 6595.5 -38598 -38598 -2.1571 -16.875 0.55984 5.382e+05 2024-05-18 06:54:52,451 INFO [main.py:798]
{rank 0/64} MD step = 308100 step time: 00:00:00.349384 Performance: 41.127 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:54:57,307 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 60.151 -31879 6592.7 -38472 -38472 -2.1554 -16.879 0.56063 5.3836e+05 2024-05-18 06:55:33,225 INFO [main.py:798]
{rank 0/64} MD step = 308200 step time: 00:00:00.339704 Performance: 41.128 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:55:38,666 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 59.334 -31994 6503 -38497 -38497 -2.1545 -16.884 0.56015 5.3854e+05 2024-05-18 06:56:13,327 INFO [main.py:798]
{rank 0/64} MD step = 308300 step time: 00:00:00.358267 Performance: 41.128 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:56:18,341 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 308300 61660 60.632 -31858 6645.3 -38504 -38504 -2.1511 -16.889 0.5611 5.3868e+05 2024-05-18 06:56:53,005 INFO [main.py:798]
{rank 0/64} MD step = 308400 step time: 00:00:00.352865 Performance: 41.129 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:56:58,062 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 59.542 -31991 6525.9 -38517 -38517 -2.1496 -16.895 0.56232 5.3885e+05 2024-05-18 06:57:33,070 INFO [main.py:798]
{rank 0/64} MD step = 308500 step time: 00:00:00.370674 Performance: 41.130 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:57:38,921 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 308500 61700 60.048 -32069 6581.3 -38650 -38650 -2.15 -16.902 0.56334 5.39e+05 2024-05-18 06:58:13,884 INFO [main.py:798]
{rank 0/64} MD step = 308600 step time: 00:00:00.351138 Performance: 41.130 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:58:20,193 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 308600 61720 59.638 -32069 6536.4 -38605 -38605 -2.1494 -16.908 0.56316 5.3921e+05 2024-05-18 06:58:55,109 INFO [main.py:798]
{rank 0/64} MD step = 308700 step time: 00:00:00.377365 Performance: 41.130 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:59:01,156 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 308700 61740 60.215 -31933 6599.7 -38533 -38533 -2.1476 -16.915 0.56285 5.3941e+05 2024-05-18 06:59:37,057 INFO [main.py:798]
{rank 0/64} MD step = 308800 step time: 00:00:00.359520 Performance: 41.130 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 06:59:41,987 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 59.897 -31761 6564.8 -38326 -38326 -2.1453 -16.919 0.56234 5.3964e+05 2024-05-18 07:00:16,629 INFO [main.py:798]
{rank 0/64} MD step = 308900 step time: 00:00:00.362124 Performance: 41.131 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 07:00:21,712 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 59.653 -31935 6538 -38473 -38473 -2.141 -16.924 0.56144 5.3979e+05 2024-05-18 07:00:56,752 INFO [main.py:798]
{rank 0/64} MD step = 309000 step time: 00:00:00.382026 Performance: 41.132 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 07:01:02,400 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 309000 61800 59.877 -32008 6562.6 -38570 -38570 -2.1372 -16.931 0.56078 5.3995e+05 2024-05-18 07:01:37,311 INFO [main.py:798]
{rank 0/64} MD step = 309100 step time: 00:00:00.354548 Performance: 41.132 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 07:01:43,698 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 309100 61820 59.522 -31884 6523.7 -38407 -38407 -2.136 -16.936 0.56107 5.4013e+05 2024-05-18 07:02:18,726 INFO [main.py:798]
{rank 0/64} MD step = 309200 step time: 00:00:00.356320 Performance: 41.132 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 07:02:26,343 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 309200 61840 60.067 -31962 6583.5 -38546 -38546 -2.1353 -16.941 0.56232 5.4028e+05 2024-05-18 07:03:01,370 INFO [main.py:798]
{rank 0/64} MD step = 309300 step time: 00:00:00.374182 Performance: 41.132 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 07:03:07,506 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 309300 61860 59.988 -31795 6574.8 -38370 -38370 -2.1334 -16.946 0.56358 5.4048e+05 2024-05-18 07:03:42,112 INFO [main.py:798]
{rank 0/64} MD step = 309400 step time: 00:00:00.356205 Performance: 41.133 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 07:03:47,726 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 59.708 -31985 6544.1 -38529 -38529 -2.1302 -16.952 0.56521 5.4065e+05 2024-05-18 07:04:21,867 INFO [main.py:798]
{rank 0/64} MD step = 309500 step time: 00:00:00.355803 Performance: 41.133 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 07:04:28,473 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 61.016 -31855 6687.4 -38543 -38543 -2.1289 -16.958 0.56581 5.4081e+05 2024-05-18 07:05:03,761 INFO [main.py:798]
{rank 0/64} MD step = 309600 step time: 00:00:00.352675 Performance: 41.133 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 07:05:09,308 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 59.228 -32064 6491.5 -38556 -38556 -2.1276 -16.964 0.56713 5.4097e+05 2024-05-18 07:05:43,854 INFO [main.py:798]
{rank 0/64} MD step = 309700 step time: 00:00:00.352290 Performance: 41.134 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 07:05:51,978 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 59.916 -32007 6566.8 -38574 -38574 -2.1275 -16.97 0.56784 5.4115e+05 2024-05-18 07:06:27,877 INFO [main.py:798]
{rank 0/64} MD step = 309800 step time: 00:00:00.355601 Performance: 41.133 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 07:06:35,611 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 309800 61960 59.642 -31972 6536.8 -38509 -38509 -2.1253 -16.975 0.56905 5.4133e+05 2024-05-18 07:07:10,131 INFO [main.py:798]
{rank 0/64} MD step = 309900 step time: 00:00:00.348720 Performance: 41.133 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 07:07:15,550 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 60.391 -31942 6618.9 -38561 -38561 -2.1242 -16.982 0.56982 5.4151e+05 2024-05-18 07:07:50,171 INFO [main.py:798]
{rank 0/64} MD step = 310000 step time: 00:00:00.350810 Performance: 41.134 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 07:07:55,787 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 60.038 -31988 6580.2 -38568 -38568 -2.1232 -16.986 0.56972 5.4167e+05 2024-05-18 07:08:31,811 INFO [main.py:798]
{rank 0/64} MD step = 310100 step time: 00:00:00.336534 Performance: 41.134 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 07:08:40,963 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310100 62020 60.759 -31940 6659.3 -38599 -38599 -2.1232 -16.992 0.57104 5.4181e+05 2024-05-18 07:09:15,197 INFO [main.py:798]
{rank 0/64} MD step = 310200 step time: 00:00:00.336444 Performance: 41.134 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 07:09:20,527 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310200 62040 59.874 -32017 6562.2 -38580 -38580 -2.1216 -16.998 0.57127 5.4202e+05 2024-05-18 07:09:55,049 INFO [main.py:798]
{rank 0/64} MD step = 310300 step time: 00:00:00.345949 Performance: 41.134 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 07:10:00,461 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 59.524 -31967 6523.9 -38491 -38491 -2.1227 -17.003 0.57057 5.4219e+05 2024-05-18 07:10:35,251 INFO [main.py:798]
{rank 0/64} MD step = 310400 step time: 00:00:00.343110 Performance: 41.135 ns/day 0.583 hours/ns 2.380 steps/s 2024-05-18 07:10:40,606 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310400 62080 59.765 -32018 6550.3 -38568 -38568 -2.1214 -17.009 0.57135 5.4236e+05 2024-05-18 07:11:15,381 INFO [main.py:798]
{rank 0/64} MD step = 310500 step time: 00:00:00.339277 Performance: 41.135 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:11:22,254 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310500 62100 60.787 -31917 6662.3 -38579 -38579 -2.1198 -17.016 0.57059 5.4251e+05 2024-05-18 07:11:57,198 INFO [main.py:798]
{rank 0/64} MD step = 310600 step time: 00:00:00.355258 Performance: 41.135 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:12:03,297 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310600 62120 60.682 -31985 6650.8 -38635 -38635 -2.1172 -17.022 0.57278 5.427e+05 2024-05-18 07:12:38,099 INFO [main.py:798]
{rank 0/64} MD step = 310700 step time: 00:00:00.360513 Performance: 41.136 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:12:42,501 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 59.727 -31858 6546.1 -38404 -38404 -2.1149 -17.029 0.57298 5.4288e+05 2024-05-18 07:13:17,642 INFO [main.py:798]
{rank 0/64} MD step = 310800 step time: 00:00:00.351718 Performance: 41.137 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:13:22,709 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310800 62160 60.629 -31850 6645 -38495 -38495 -2.1129 -17.036 0.57319 5.4307e+05 2024-05-18 07:13:59,115 INFO [main.py:798]
{rank 0/64} MD step = 310900 step time: 00:00:00.377480 Performance: 41.137 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:14:03,252 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 60.139 -31811 6591.3 -38402 -38402 -2.1118 -17.042 0.57405 5.433e+05 2024-05-18 07:14:38,409 INFO [main.py:798]
{rank 0/64} MD step = 311000 step time: 00:00:00.332347 Performance: 41.138 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:14:44,882 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311000 62200 59.616 -32027 6534 -38561 -38561 -2.1101 -17.05 0.57432 5.4344e+05 2024-05-18 07:15:21,796 INFO [main.py:798]
{rank 0/64} MD step = 311100 step time: 00:00:00.350117 Performance: 41.137 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:15:26,946 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311100 62220 59.969 -31967 6572.7 -38540 -38540 -2.109 -17.056 0.5754 5.4361e+05 2024-05-18 07:16:02,099 INFO [main.py:798]
{rank 0/64} MD step = 311200 step time: 00:00:00.348951 Performance: 41.138 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:16:08,090 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311200 62240 59.461 -31973 6517 -38490 -38490 -2.1063 -17.061 0.57608 5.4382e+05 2024-05-18 07:16:42,360 INFO [main.py:798]
{rank 0/64} MD step = 311300 step time: 00:00:00.339945 Performance: 41.138 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:16:50,880 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311300 62260 60.086 -31850 6585.5 -38435 -38435 -2.1029 -17.066 0.57748 5.44e+05 2024-05-18 07:17:25,208 INFO [main.py:798]
{rank 0/64} MD step = 311400 step time: 00:00:00.343572 Performance: 41.138 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:17:30,416 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311400 62280 59.618 -31943 6534.2 -38477 -38477 -2.0985 -17.072 0.57802 5.4418e+05 2024-05-18 07:18:04,874 INFO [main.py:798]
{rank 0/64} MD step = 311500 step time: 00:00:00.335009 Performance: 41.139 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:18:09,886 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311500 62300 60.004 -31920 6576.5 -38497 -38497 -2.0959 -17.078 0.57676 5.4436e+05 2024-05-18 07:18:44,706 INFO [main.py:798]
{rank 0/64} MD step = 311600 step time: 00:00:00.352306 Performance: 41.139 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:18:50,590 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 60.386 -31897 6618.4 -38515 -38515 -2.0954 -17.084 0.5758 5.4451e+05 2024-05-18 07:19:24,980 INFO [main.py:798]
{rank 0/64} MD step = 311700 step time: 00:00:00.329165 Performance: 41.140 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:19:38,899 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 59.452 -31895 6516.1 -38411 -38411 -2.0931 -17.091 0.57723 5.4471e+05 2024-05-18 07:20:13,991 INFO [main.py:798]
{rank 0/64} MD step = 311800 step time: 00:00:00.353379 Performance: 41.138 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:20:20,386 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311800 62360 60.495 -31903 6630.3 -38534 -38534 -2.0898 -17.098 0.57572 5.4484e+05 2024-05-18 07:20:55,510 INFO [main.py:798]
{rank 0/64} MD step = 311900 step time: 00:00:00.350737 Performance: 41.138 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:21:01,041 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311900 62380 60.185 -31767 6596.4 -38363 -38363 -2.0883 -17.103 0.57611 5.4505e+05 2024-05-18 07:21:35,723 INFO [main.py:798]
{rank 0/64} MD step = 312000 step time: 00:00:00.351318 Performance: 41.138 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:21:40,364 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312000 62400 59.33 -32060 6502.6 -38563 -38563 -2.0846 -17.11 0.5763 5.4523e+05 2024-05-18 07:22:16,600 INFO [main.py:798]
{rank 0/64} MD step = 312100 step time: 00:00:00.384489 Performance: 41.139 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:22:25,771 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 61.652 -31733 6757.2 -38490 -38490 -2.0823 -17.116 0.57647 5.4541e+05 2024-05-18 07:23:00,749 INFO [main.py:798]
{rank 0/64} MD step = 312200 step time: 00:00:00.358791 Performance: 41.138 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:23:08,499 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 60.214 -31733 6599.5 -38333 -38333 -2.0793 -17.121 0.5774 5.4561e+05 2024-05-18 07:23:43,425 INFO [main.py:798]
{rank 0/64} MD step = 312300 step time: 00:00:00.343945 Performance: 41.138 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:23:49,582 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312300 62460 59.921 -31958 6567.4 -38525 -38525 -2.0781 -17.125 0.57828 5.4576e+05 2024-05-18 07:24:24,495 INFO [main.py:798]
{rank 0/64} MD step = 312400 step time: 00:00:00.349391 Performance: 41.138 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:24:29,782 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312400 62480 60.938 -31806 6678.9 -38485 -38485 -2.0772 -17.13 0.57898 5.4597e+05 2024-05-18 07:25:04,684 INFO [main.py:798]
{rank 0/64} MD step = 312500 step time: 00:00:00.361577 Performance: 41.139 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:25:09,239 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 59.063 -31931 6473.3 -38405 -38405 -2.0749 -17.134 0.57754 5.4615e+05 2024-05-18 07:25:45,194 INFO [main.py:798]
{rank 0/64} MD step = 312600 step time: 00:00:00.349725 Performance: 41.139 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:25:51,446 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 59.464 -31830 6517.3 -38347 -38347 -2.0732 -17.14 0.57782 5.4634e+05 2024-05-18 07:26:26,153 INFO [main.py:798]
{rank 0/64} MD step = 312700 step time: 00:00:00.363907 Performance: 41.140 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:26:32,883 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312700 62540 59.45 -31824 6515.7 -38340 -38340 -2.071 -17.146 0.57733 5.4655e+05 2024-05-18 07:27:08,691 INFO [main.py:798]
{rank 0/64} MD step = 312800 step time: 00:00:00.354562 Performance: 41.139 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:27:16,582 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312800 62560 59.777 -31835 6551.6 -38387 -38387 -2.0686 -17.152 0.57714 5.4672e+05 2024-05-18 07:27:50,822 INFO [main.py:798]
{rank 0/64} MD step = 312900 step time: 00:00:00.337689 Performance: 41.139 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:27:58,365 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312900 62580 60.387 -31703 6618.5 -38322 -38322 -2.0644 -17.159 0.57697 5.4691e+05 2024-05-18 07:28:32,773 INFO [main.py:798]
{rank 0/64} MD step = 313000 step time: 00:00:00.351103 Performance: 41.139 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:28:39,311 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 60.495 -31754 6630.3 -38385 -38385 -2.0614 -17.166 0.57592 5.4708e+05 2024-05-18 07:29:13,826 INFO [main.py:798]
{rank 0/64} MD step = 313100 step time: 00:00:00.350167 Performance: 41.140 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:29:18,962 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 313100 62620 60.822 -31798 6666.2 -38464 -38464 -2.0585 -17.173 0.57678 5.4723e+05 2024-05-18 07:29:54,555 INFO [main.py:798]
{rank 0/64} MD step = 313200 step time: 00:00:00.348803 Performance: 41.140 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:30:00,928 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 313200 62640 59.756 -31766 6549.3 -38316 -38316 -2.0549 -17.178 0.57678 5.4743e+05 2024-05-18 07:30:35,785 INFO [main.py:798]
{rank 0/64} MD step = 313300 step time: 00:00:00.342808 Performance: 41.140 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:30:40,870 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 59.807 -31786 6554.9 -38341 -38341 -2.05 -17.184 0.57798 5.4758e+05 2024-05-18 07:31:15,717 INFO [main.py:798]
{rank 0/64} MD step = 313400 step time: 00:00:00.332602 Performance: 41.141 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:31:39,232 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 313400 62680 59.243 -31919 6493.1 -38412 -38412 -2.0477 -17.189 0.57786 5.4774e+05 2024-05-18 07:32:13,953 INFO [main.py:798]
{rank 0/64} MD step = 313500 step time: 00:00:00.329298 Performance: 41.136 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:32:18,711 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 313500 62700 59.972 -31861 6573 -38434 -38434 -2.0439 -17.193 0.57725 5.4791e+05 2024-05-18 07:32:55,957 INFO [main.py:798]
{rank 0/64} MD step = 313600 step time: 00:00:00.330807 Performance: 41.136 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:33:01,960 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 59.913 -31776 6566.6 -38343 -38343 -2.0403 -17.198 0.57985 5.4812e+05 2024-05-18 07:33:37,854 INFO [main.py:798]
{rank 0/64} MD step = 313700 step time: 00:00:00.333590 Performance: 41.136 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:33:43,902 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 313700 62740 59.431 -31982 6513.7 -38495 -38495 -2.0352 -17.204 0.58129 5.4827e+05 2024-05-18 07:34:18,975 INFO [main.py:798]
{rank 0/64} MD step = 313800 step time: 00:00:00.352196 Performance: 41.136 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:34:23,904 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 313800 62760 59.738 -31877 6547.3 -38425 -38425 -2.0326 -17.21 0.58319 5.4848e+05 2024-05-18 07:34:58,699 INFO [main.py:798]
{rank 0/64} MD step = 313900 step time: 00:00:00.335485 Performance: 41.137 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:35:08,414 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 313900 62780 60.36 -31773 6615.6 -38388 -38388 -2.0292 -17.218 0.58457 5.4865e+05 2024-05-18 07:35:44,848 INFO [main.py:798]
{rank 0/64} MD step = 314000 step time: 00:00:00.375027 Performance: 41.136 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:35:51,428 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314000 62800 59.993 -31879 6575.3 -38454 -38454 -2.0257 -17.223 0.58478 5.4881e+05 2024-05-18 07:36:25,990 INFO [main.py:798]
{rank 0/64} MD step = 314100 step time: 00:00:00.344077 Performance: 41.136 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:36:32,818 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314100 62820 59.434 -31815 6514 -38329 -38329 -2.0244 -17.228 0.58479 5.4899e+05 2024-05-18 07:37:07,505 INFO [main.py:798]
{rank 0/64} MD step = 314200 step time: 00:00:00.350137 Performance: 41.136 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:37:16,044 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314200 62840 61.379 -31707 6727.2 -38434 -38434 -2.021 -17.234 0.58561 5.4915e+05 2024-05-18 07:37:51,727 INFO [main.py:798]
{rank 0/64} MD step = 314300 step time: 00:00:00.375292 Performance: 41.135 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:37:56,576 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314300 62860 59.549 -31709 6526.7 -38235 -38235 -2.0175 -17.241 0.58679 5.4937e+05 2024-05-18 07:38:32,426 INFO [main.py:798]
{rank 0/64} MD step = 314400 step time: 00:00:00.353763 Performance: 41.136 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:38:39,196 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 59.575 -31910 6529.5 -38440 -38440 -2.0152 -17.248 0.58649 5.4951e+05 2024-05-18 07:39:14,009 INFO [main.py:798]
{rank 0/64} MD step = 314500 step time: 00:00:00.355095 Performance: 41.136 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:39:21,336 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314500 62900 59.289 -31952 6498.2 -38450 -38450 -2.0119 -17.255 0.58655 5.4965e+05 2024-05-18 07:39:58,279 INFO [main.py:798]
{rank 0/64} MD step = 314600 step time: 00:00:00.358258 Performance: 41.135 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:40:03,026 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 59.753 -31891 6549 -38440 -38440 -2.0092 -17.26 0.5874 5.4983e+05 2024-05-18 07:40:38,975 INFO [main.py:798]
{rank 0/64} MD step = 314700 step time: 00:00:00.380363 Performance: 41.136 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:40:43,643 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314700 62940 59.443 -31954 6515 -38469 -38469 -2.0072 -17.266 0.5888 5.5e+05 2024-05-18 07:41:18,606 INFO [main.py:798]
{rank 0/64} MD step = 314800 step time: 00:00:00.354982 Performance: 41.136 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:41:23,901 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314800 62960 60.514 -31773 6632.4 -38405 -38405 -2.0043 -17.271 0.58998 5.5018e+05 2024-05-18 07:41:59,152 INFO [main.py:798]
{rank 0/64} MD step = 314900 step time: 00:00:00.350542 Performance: 41.137 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:42:05,092 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314900 62980 60.432 -31960 6623.4 -38583 -38583 -2.003 -17.277 0.59026 5.5031e+05 2024-05-18 07:42:40,251 INFO [main.py:798]
{rank 0/64} MD step = 315000 step time: 00:00:00.358171 Performance: 41.137 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:42:46,520 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 315000 63000 59.936 -31830 6569 -38399 -38399 -2.0033 -17.281 0.59219 5.5052e+05 2024-05-18 07:43:22,220 INFO [main.py:798]
{rank 0/64} MD step = 315100 step time: 00:00:00.357120 Performance: 41.137 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:43:27,507 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 315100 63020 59.284 -31870 6497.5 -38367 -38367 -2.0002 -17.287 0.59268 5.5072e+05 2024-05-18 07:44:02,651 INFO [main.py:798]
{rank 0/64} MD step = 315200 step time: 00:00:00.354265 Performance: 41.138 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:44:09,962 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 60.285 -31894 6607.3 -38502 -38502 -1.9983 -17.293 0.59301 5.5089e+05 2024-05-18 07:44:44,706 INFO [main.py:798]
{rank 0/64} MD step = 315300 step time: 00:00:00.357157 Performance: 41.138 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:44:48,970 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 315300 63060 60.082 -31936 6585.1 -38521 -38521 -1.9949 -17.297 0.59318 5.5108e+05 2024-05-18 07:45:26,030 INFO [main.py:798]
{rank 0/64} MD step = 315400 step time: 00:00:00.357777 Performance: 41.138 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:45:31,686 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 59.759 -31840 6549.6 -38390 -38390 -1.991 -17.304 0.593 5.5128e+05 2024-05-18 07:46:07,906 INFO [main.py:798]
{rank 0/64} MD step = 315500 step time: 00:00:00.336533 Performance: 41.138 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:46:12,944 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 60.905 -31782 6675.3 -38457 -38457 -1.9873 -17.31 0.59484 5.5144e+05 2024-05-18 07:46:48,224 INFO [main.py:798]
{rank 0/64} MD step = 315600 step time: 00:00:00.335308 Performance: 41.138 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:46:56,602 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 60.902 -31628 6674.9 -38303 -38303 -1.9845 -17.316 0.59744 5.5165e+05 2024-05-18 07:47:31,543 INFO [main.py:798]
{rank 0/64} MD step = 315700 step time: 00:00:00.329951 Performance: 41.138 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:47:39,397 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 315700 63140 60.57 -31793 6638.6 -38431 -38431 -1.9843 -17.321 0.59737 5.5179e+05 2024-05-18 07:48:15,886 INFO [main.py:798]
{rank 0/64} MD step = 315800 step time: 00:00:00.374758 Performance: 41.137 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:48:21,836 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 315800 63160 60.636 -31944 6645.8 -38590 -38590 -1.9808 -17.326 0.59758 5.5192e+05 2024-05-18 07:48:56,463 INFO [main.py:798]
{rank 0/64} MD step = 315900 step time: 00:00:00.356130 Performance: 41.138 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:49:01,847 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 315900 63180 60.529 -31901 6634 -38535 -38535 -1.979 -17.332 0.59684 5.5212e+05 2024-05-18 07:49:37,869 INFO [main.py:798]
{rank 0/64} MD step = 316000 step time: 00:00:00.371344 Performance: 41.138 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:49:43,369 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316000 63200 60.114 -31764 6588.6 -38353 -38353 -1.9764 -17.338 0.59916 5.5232e+05 2024-05-18 07:50:19,553 INFO [main.py:798]
{rank 0/64} MD step = 316100 step time: 00:00:00.371384 Performance: 41.138 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:50:27,310 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 59.93 -31753 6568.4 -38321 -38321 -1.9726 -17.344 0.59786 5.525e+05 2024-05-18 07:51:01,970 INFO [main.py:798]
{rank 0/64} MD step = 316200 step time: 00:00:00.355606 Performance: 41.138 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:51:12,723 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316200 63240 60.971 -31699 6682.5 -38382 -38382 -1.9711 -17.35 0.59782 5.5267e+05 2024-05-18 07:51:47,125 INFO [main.py:798]
{rank 0/64} MD step = 316300 step time: 00:00:00.346506 Performance: 41.137 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:51:54,039 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316300 63260 59.806 -31889 6554.8 -38444 -38444 -1.9681 -17.355 0.59641 5.5282e+05 2024-05-18 07:52:29,052 INFO [main.py:798]
{rank 0/64} MD step = 316400 step time: 00:00:00.346868 Performance: 41.137 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:52:34,481 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 61.245 -31790 6712.5 -38502 -38502 -1.9658 -17.361 0.59725 5.5299e+05 2024-05-18 07:53:08,387 INFO [main.py:798]
{rank 0/64} MD step = 316500 step time: 00:00:00.335160 Performance: 41.138 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:53:15,560 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316500 63300 59.641 -31986 6536.7 -38522 -38522 -1.9633 -17.365 0.59782 5.5318e+05 2024-05-18 07:53:50,076 INFO [main.py:798]
{rank 0/64} MD step = 316600 step time: 00:00:00.348525 Performance: 41.138 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:53:59,009 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316600 63320 59.735 -31922 6547 -38469 -38469 -1.9576 -17.371 0.59873 5.5334e+05 2024-05-18 07:54:33,922 INFO [main.py:798]
{rank 0/64} MD step = 316700 step time: 00:00:00.369785 Performance: 41.137 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:54:38,788 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316700 63340 59.588 -31822 6530.9 -38353 -38353 -1.9559 -17.375 0.60102 5.5353e+05 2024-05-18 07:55:13,640 INFO [main.py:798]
{rank 0/64} MD step = 316800 step time: 00:00:00.354474 Performance: 41.138 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:55:19,403 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316800 63360 59.917 -31857 6567 -38424 -38424 -1.9557 -17.38 0.60064 5.5369e+05 2024-05-18 07:55:54,012 INFO [main.py:798]
{rank 0/64} MD step = 316900 step time: 00:00:00.350804 Performance: 41.138 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:55:59,211 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 59.337 -32068 6503.4 -38571 -38571 -1.9532 -17.385 0.60147 5.5384e+05 2024-05-18 07:56:33,917 INFO [main.py:798]
{rank 0/64} MD step = 317000 step time: 00:00:00.336868 Performance: 41.139 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:56:39,538 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317000 63400 59.842 -31959 6558.8 -38518 -38518 -1.9495 -17.391 0.60274 5.5402e+05 2024-05-18 07:57:14,008 INFO [main.py:798]
{rank 0/64} MD step = 317100 step time: 00:00:00.344475 Performance: 41.140 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:57:22,513 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317100 63420 60.859 -31665 6670.2 -38335 -38335 -1.947 -17.398 0.60209 5.5422e+05 2024-05-18 07:57:57,712 INFO [main.py:798]
{rank 0/64} MD step = 317200 step time: 00:00:00.349255 Performance: 41.139 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:58:03,391 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317200 63440 59.591 -31982 6531.3 -38513 -38513 -1.9452 -17.404 0.60341 5.5436e+05 2024-05-18 07:58:39,220 INFO [main.py:798]
{rank 0/64} MD step = 317300 step time: 00:00:00.364468 Performance: 41.139 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:58:44,826 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 60.131 -31932 6590.5 -38523 -38523 -1.9417 -17.409 0.60373 5.5454e+05 2024-05-18 07:59:19,357 INFO [main.py:798]
{rank 0/64} MD step = 317400 step time: 00:00:00.335031 Performance: 41.140 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 07:59:24,549 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317400 63480 59.749 -31871 6548.5 -38420 -38420 -1.9399 -17.416 0.60478 5.5473e+05 2024-05-18 07:59:59,450 INFO [main.py:798]
{rank 0/64} MD step = 317500 step time: 00:00:00.340093 Performance: 41.140 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:00:05,417 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317500 63500 60.182 -31690 6596 -38286 -38286 -1.9373 -17.422 0.60632 5.5493e+05 2024-05-18 08:00:40,783 INFO [main.py:798]
{rank 0/64} MD step = 317600 step time: 00:00:00.353104 Performance: 41.141 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:00:45,367 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317600 63520 59.171 -31898 6485.2 -38383 -38383 -1.9351 -17.428 0.60626 5.5512e+05 2024-05-18 08:01:21,833 INFO [main.py:798]
{rank 0/64} MD step = 317700 step time: 00:00:00.347234 Performance: 41.141 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:01:29,222 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 59.761 -31814 6549.9 -38364 -38364 -1.9324 -17.433 0.60674 5.5527e+05 2024-05-18 08:02:05,385 INFO [main.py:798]
{rank 0/64} MD step = 317800 step time: 00:00:00.373195 Performance: 41.140 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:02:11,194 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 59.7 -31884 6543.2 -38427 -38427 -1.9297 -17.438 0.60952 5.5545e+05 2024-05-18 08:02:46,155 INFO [main.py:798]
{rank 0/64} MD step = 317900 step time: 00:00:00.343411 Performance: 41.141 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:02:51,257 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317900 63580 60.033 -31961 6579.7 -38540 -38540 -1.9259 -17.445 0.60838 5.5562e+05 2024-05-18 08:03:26,520 INFO [main.py:798]
{rank 0/64} MD step = 318000 step time: 00:00:00.335639 Performance: 41.141 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:03:33,874 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 60.149 -31853 6592.4 -38445 -38445 -1.9248 -17.451 0.60835 5.558e+05 2024-05-18 08:04:09,648 INFO [main.py:798]
{rank 0/64} MD step = 318100 step time: 00:00:00.351427 Performance: 41.141 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:04:15,951 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318100 63620 60.088 -31916 6585.7 -38502 -38502 -1.924 -17.456 0.60878 5.5596e+05 2024-05-18 08:04:50,961 INFO [main.py:798]
{rank 0/64} MD step = 318200 step time: 00:00:00.338399 Performance: 41.141 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:05:00,750 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 61.356 -31787 6724.7 -38511 -38511 -1.922 -17.463 0.60751 5.5616e+05 2024-05-18 08:05:35,081 INFO [main.py:798]
{rank 0/64} MD step = 318300 step time: 00:00:00.354748 Performance: 41.141 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:05:42,391 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318300 63660 60.439 -31830 6624.2 -38454 -38454 -1.9205 -17.468 0.60838 5.5633e+05 2024-05-18 08:06:17,180 INFO [main.py:798]
{rank 0/64} MD step = 318400 step time: 00:00:00.360560 Performance: 41.141 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:06:23,095 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318400 63680 60.093 -31919 6586.2 -38506 -38506 -1.9223 -17.472 0.60922 5.565e+05 2024-05-18 08:06:58,987 INFO [main.py:798]
{rank 0/64} MD step = 318500 step time: 00:00:00.358037 Performance: 41.141 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:07:07,617 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318500 63700 59.296 -31982 6498.9 -38481 -38481 -1.9198 -17.479 0.61156 5.567e+05 2024-05-18 08:07:43,097 INFO [main.py:798]
{rank 0/64} MD step = 318600 step time: 00:00:00.345675 Performance: 41.140 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:07:48,650 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318600 63720 60.789 -31789 6662.6 -38451 -38451 -1.9165 -17.486 0.61272 5.5687e+05 2024-05-18 08:08:23,595 INFO [main.py:798]
{rank 0/64} MD step = 318700 step time: 00:00:00.352842 Performance: 41.140 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:08:31,891 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 60.059 -31901 6582.6 -38484 -38484 -1.9131 -17.493 0.61455 5.5703e+05 2024-05-18 08:09:06,203 INFO [main.py:798]
{rank 0/64} MD step = 318800 step time: 00:00:00.351426 Performance: 41.140 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:09:14,619 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318800 63760 59.452 -31925 6516 -38441 -38441 -1.9098 -17.499 0.61569 5.5722e+05 2024-05-18 08:09:49,514 INFO [main.py:798]
{rank 0/64} MD step = 318900 step time: 00:00:00.375713 Performance: 41.140 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:09:55,750 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318900 63780 60.517 -31912 6632.7 -38545 -38545 -1.9083 -17.503 0.61756 5.5737e+05 2024-05-18 08:10:30,574 INFO [main.py:798]
{rank 0/64} MD step = 319000 step time: 00:00:00.348486 Performance: 41.140 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:10:36,279 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319000 63800 60.997 -31731 6685.3 -38416 -38416 -1.9061 -17.508 0.61758 5.5758e+05 2024-05-18 08:11:11,247 INFO [main.py:798]
{rank 0/64} MD step = 319100 step time: 00:00:00.338263 Performance: 41.140 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:11:17,458 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319100 63820 59.651 -31972 6537.9 -38510 -38510 -1.9037 -17.514 0.61837 5.5774e+05 2024-05-18 08:11:51,941 INFO [main.py:798]
{rank 0/64} MD step = 319200 step time: 00:00:00.351900 Performance: 41.141 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:11:57,963 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319200 63840 59.558 -31838 6527.7 -38365 -38365 -1.9019 -17.52 0.61849 5.579e+05 2024-05-18 08:12:32,722 INFO [main.py:798]
{rank 0/64} MD step = 319300 step time: 00:00:00.352522 Performance: 41.141 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:12:38,104 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 60.183 -31927 6596.1 -38524 -38524 -1.8985 -17.525 0.61977 5.5807e+05 2024-05-18 08:13:12,863 INFO [main.py:798]
{rank 0/64} MD step = 319400 step time: 00:00:00.355676 Performance: 41.142 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:13:18,242 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319400 63880 60.211 -31768 6599.2 -38367 -38367 -1.896 -17.529 0.61847 5.5825e+05 2024-05-18 08:13:52,922 INFO [main.py:798]
{rank 0/64} MD step = 319500 step time: 00:00:00.351919 Performance: 41.142 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:13:58,461 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319500 63900 60.014 -31871 6577.6 -38448 -38448 -1.8921 -17.534 0.62011 5.584e+05 2024-05-18 08:14:35,773 INFO [main.py:798]
{rank 0/64} MD step = 319600 step time: 00:00:00.351444 Performance: 41.142 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:14:41,604 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319600 63920 59.287 -31935 6497.9 -38433 -38433 -1.8888 -17.539 0.62183 5.5858e+05 2024-05-18 08:15:15,922 INFO [main.py:798]
{rank 0/64} MD step = 319700 step time: 00:00:00.362914 Performance: 41.143 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:15:22,155 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319700 63940 60.109 -31919 6588.1 -38507 -38507 -1.8867 -17.545 0.62384 5.5875e+05 2024-05-18 08:15:57,082 INFO [main.py:798]
{rank 0/64} MD step = 319800 step time: 00:00:00.351511 Performance: 41.143 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:16:03,314 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319800 63960 59.388 -31994 6509 -38503 -38503 -1.8857 -17.552 0.62314 5.5893e+05 2024-05-18 08:16:38,803 INFO [main.py:798]
{rank 0/64} MD step = 319900 step time: 00:00:00.354386 Performance: 41.143 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:16:45,096 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319900 63980 59.189 -31941 6487.2 -38428 -38428 -1.886 -17.558 0.62275 5.5911e+05 2024-05-18 08:17:20,005 INFO [main.py:798]
{rank 0/64} MD step = 320000 step time: 00:00:00.354230 Performance: 41.143 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:17:25,301 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 59.486 -31850 6519.8 -38370 -38370 -1.8834 -17.562 0.62228 5.5931e+05 2024-05-18 08:17:59,833 INFO [main.py:798]
{rank 0/64} MD step = 320100 step time: 00:00:00.411358 Performance: 41.144 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:18:05,507 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 59.664 -31866 6539.2 -38405 -38405 -1.8808 -17.569 0.62304 5.595e+05 2024-05-18 08:18:40,938 INFO [main.py:798]
{rank 0/64} MD step = 320200 step time: 00:00:00.355082 Performance: 41.144 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:18:46,861 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 59.912 -31897 6566.4 -38464 -38464 -1.8763 -17.575 0.62302 5.5967e+05 2024-05-18 08:19:21,606 INFO [main.py:798]
{rank 0/64} MD step = 320300 step time: 00:00:00.374447 Performance: 41.145 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:19:30,618 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 320300 64060 59.905 -31835 6565.7 -38401 -38401 -1.8735 -17.58 0.62241 5.5985e+05 2024-05-18 08:20:05,204 INFO [main.py:798]
{rank 0/64} MD step = 320400 step time: 00:00:00.326818 Performance: 41.144 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:20:14,946 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 59.73 -31956 6546.5 -38503 -38503 -1.8698 -17.586 0.62255 5.6004e+05 2024-05-18 08:20:49,481 INFO [main.py:798]
{rank 0/64} MD step = 320500 step time: 00:00:00.353444 Performance: 41.143 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:20:58,981 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 59.988 -31730 6574.8 -38305 -38305 -1.8676 -17.592 0.62485 5.6025e+05 2024-05-18 08:21:33,621 INFO [main.py:798]
{rank 0/64} MD step = 320600 step time: 00:00:00.366125 Performance: 41.143 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:21:40,071 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 320600 64120 60.766 -31803 6660 -38463 -38463 -1.8658 -17.597 0.62707 5.6038e+05 2024-05-18 08:22:14,789 INFO [main.py:798]
{rank 0/64} MD step = 320700 step time: 00:00:00.357094 Performance: 41.143 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:22:20,623 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 59.717 -31870 6545 -38415 -38415 -1.8645 -17.603 0.62849 5.6056e+05 2024-05-18 08:22:55,381 INFO [main.py:798]
{rank 0/64} MD step = 320800 step time: 00:00:00.356240 Performance: 41.144 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:23:02,380 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 320800 64160 59.441 -32047 6514.8 -38561 -38561 -1.8615 -17.608 0.62994 5.6071e+05 2024-05-18 08:23:37,746 INFO [main.py:798]
{rank 0/64} MD step = 320900 step time: 00:00:00.381707 Performance: 41.143 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:23:45,791 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 320900 64180 59.403 -32010 6510.6 -38521 -38521 -1.8577 -17.613 0.6306 5.6089e+05 2024-05-18 08:24:20,444 INFO [main.py:798]
{rank 0/64} MD step = 321000 step time: 00:00:00.353172 Performance: 41.143 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:24:29,581 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 321000 64200 59.992 -31848 6575.2 -38424 -38424 -1.855 -17.62 0.63148 5.6109e+05 2024-05-18 08:25:04,205 INFO [main.py:798]
{rank 0/64} MD step = 321100 step time: 00:00:00.354527 Performance: 41.143 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:25:09,159 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 60.305 -31886 6609.5 -38496 -38496 -1.8513 -17.626 0.63219 5.6124e+05 2024-05-18 08:25:46,082 INFO [main.py:798]
{rank 0/64} MD step = 321200 step time: 00:00:00.380228 Performance: 41.143 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:25:53,690 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 321200 64240 60.211 -31941 6599.2 -38540 -38540 -1.8481 -17.631 0.63143 5.6139e+05 2024-05-18 08:26:28,670 INFO [main.py:798]
{rank 0/64} MD step = 321300 step time: 00:00:00.349582 Performance: 41.143 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:26:33,275 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 321300 64260 59.346 -32042 6504.4 -38547 -38547 -1.8453 -17.638 0.63131 5.6156e+05 2024-05-18 08:27:08,184 INFO [main.py:798]
{rank 0/64} MD step = 321400 step time: 00:00:00.350409 Performance: 41.143 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:27:13,924 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 321400 64280 60.242 -31967 6602.6 -38570 -38570 -1.8445 -17.644 0.63055 5.6174e+05 2024-05-18 08:27:49,676 INFO [main.py:798]
{rank 0/64} MD step = 321500 step time: 00:00:00.374860 Performance: 41.143 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:27:55,482 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 321500 64300 59.019 -32081 6468.5 -38550 -38550 -1.8433 -17.649 0.62853 5.6189e+05 2024-05-18 08:28:30,224 INFO [main.py:798]
{rank 0/64} MD step = 321600 step time: 00:00:00.350901 Performance: 41.144 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:28:36,100 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 60.603 -31783 6642.2 -38426 -38426 -1.8394 -17.655 0.63135 5.621e+05 2024-05-18 08:29:10,958 INFO [main.py:798]
{rank 0/64} MD step = 321700 step time: 00:00:00.339363 Performance: 41.144 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:29:19,509 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 58.988 -32072 6465.2 -38537 -38537 -1.8338 -17.661 0.63174 5.6226e+05 2024-05-18 08:29:54,588 INFO [main.py:798]
{rank 0/64} MD step = 321800 step time: 00:00:00.335213 Performance: 41.144 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:29:59,618 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 321800 64360 59.547 -32005 6526.4 -38531 -38531 -1.8293 -17.668 0.63121 5.6246e+05 2024-05-18 08:30:34,431 INFO [main.py:798]
{rank 0/64} MD step = 321900 step time: 00:00:00.330242 Performance: 41.144 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:30:40,092 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 321900 64380 59.915 -31845 6566.8 -38412 -38412 -1.8275 -17.674 0.6317 5.6264e+05 2024-05-18 08:31:14,923 INFO [main.py:798]
{rank 0/64} MD step = 322000 step time: 00:00:00.339723 Performance: 41.145 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:31:22,302 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 322000 64400 59.377 -32046 6507.8 -38554 -38554 -1.8233 -17.678 0.63062 5.628e+05 2024-05-18 08:31:58,658 INFO [main.py:798]
{rank 0/64} MD step = 322100 step time: 00:00:00.333775 Performance: 41.144 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:32:04,335 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 60.594 -31879 6641.2 -38520 -38520 -1.82 -17.683 0.63295 5.6299e+05 2024-05-18 08:32:38,814 INFO [main.py:798]
{rank 0/64} MD step = 322200 step time: 00:00:00.333787 Performance: 41.145 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:32:44,425 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 58.222 -32074 6381.2 -38455 -38455 -1.8178 -17.689 0.6317 5.6316e+05 2024-05-18 08:33:18,865 INFO [main.py:798]
{rank 0/64} MD step = 322300 step time: 00:00:00.332042 Performance: 41.145 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:33:26,745 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 60.133 -31939 6590.7 -38529 -38529 -1.8158 -17.695 0.63158 5.6334e+05 2024-05-18 08:34:01,461 INFO [main.py:798]
{rank 0/64} MD step = 322400 step time: 00:00:00.354628 Performance: 41.145 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:34:07,046 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 322400 64480 60.712 -31774 6654.1 -38428 -38428 -1.8134 -17.7 0.6308 5.6352e+05 2024-05-18 08:34:42,319 INFO [main.py:798]
{rank 0/64} MD step = 322500 step time: 00:00:00.436654 Performance: 41.146 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:34:51,294 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 322500 64500 59.99 -31707 6575 -38282 -38282 -1.8115 -17.706 0.63234 5.6369e+05 2024-05-18 08:35:26,438 INFO [main.py:798]
{rank 0/64} MD step = 322600 step time: 00:00:00.327136 Performance: 41.145 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:35:43,310 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 322600 64520 59.946 -31881 6570.2 -38451 -38451 -1.8085 -17.711 0.63226 5.6383e+05 2024-05-18 08:36:18,560 INFO [main.py:798]
{rank 0/64} MD step = 322700 step time: 00:00:00.337714 Performance: 41.142 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:36:25,516 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 322700 64540 60.092 -31936 6586.2 -38522 -38522 -1.8072 -17.718 0.63172 5.6401e+05 2024-05-18 08:37:00,307 INFO [main.py:798]
{rank 0/64} MD step = 322800 step time: 00:00:00.331939 Performance: 41.142 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:37:08,044 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 322800 64560 59.644 -31832 6537 -38369 -38369 -1.8038 -17.725 0.63165 5.6418e+05 2024-05-18 08:37:42,776 INFO [main.py:798]
{rank 0/64} MD step = 322900 step time: 00:00:00.354900 Performance: 41.142 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:37:48,452 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 58.63 -31916 6425.9 -38342 -38342 -1.8008 -17.73 0.63244 5.6438e+05 2024-05-18 08:38:23,263 INFO [main.py:798]
{rank 0/64} MD step = 323000 step time: 00:00:00.354924 Performance: 41.142 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:38:34,085 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323000 64600 60.17 -31777 6594.8 -38372 -38372 -1.7992 -17.735 0.63371 5.6458e+05 2024-05-18 08:39:08,711 INFO [main.py:798]
{rank 0/64} MD step = 323100 step time: 00:00:00.351988 Performance: 41.141 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:39:15,833 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323100 64620 60.201 -31852 6598.1 -38450 -38450 -1.7938 -17.74 0.63342 5.6478e+05 2024-05-18 08:39:51,576 INFO [main.py:798]
{rank 0/64} MD step = 323200 step time: 00:00:00.350997 Performance: 41.141 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:40:00,972 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 59.768 -31715 6550.6 -38266 -38266 -1.7911 -17.746 0.63324 5.6497e+05 2024-05-18 08:40:35,839 INFO [main.py:798]
{rank 0/64} MD step = 323300 step time: 00:00:00.330580 Performance: 41.140 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:40:40,516 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323300 64660 59.497 -31857 6520.9 -38378 -38378 -1.7869 -17.751 0.63221 5.6512e+05 2024-05-18 08:41:17,125 INFO [main.py:798]
{rank 0/64} MD step = 323400 step time: 00:00:00.337931 Performance: 41.141 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:41:22,581 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 60.433 -31885 6623.5 -38508 -38508 -1.7842 -17.757 0.63162 5.6528e+05 2024-05-18 08:41:59,400 INFO [main.py:798]
{rank 0/64} MD step = 323500 step time: 00:00:00.332497 Performance: 41.140 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:42:05,298 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 59.728 -31697 6546.2 -38243 -38243 -1.7803 -17.762 0.63257 5.6546e+05 2024-05-18 08:42:40,836 INFO [main.py:798]
{rank 0/64} MD step = 323600 step time: 00:00:00.343088 Performance: 41.141 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:42:46,978 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323600 64720 59.215 -31938 6490 -38428 -38428 -1.7771 -17.768 0.6314 5.6562e+05 2024-05-18 08:43:21,755 INFO [main.py:798]
{rank 0/64} MD step = 323700 step time: 00:00:00.328093 Performance: 41.141 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:43:27,327 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323700 64740 60.738 -31743 6657 -38400 -38400 -1.7761 -17.773 0.63194 5.6579e+05 2024-05-18 08:44:02,977 INFO [main.py:798]
{rank 0/64} MD step = 323800 step time: 00:00:00.333443 Performance: 41.141 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:44:08,587 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323800 64760 59.417 -31972 6512.2 -38484 -38484 -1.7734 -17.777 0.63256 5.6597e+05 2024-05-18 08:44:45,554 INFO [main.py:798]
{rank 0/64} MD step = 323900 step time: 00:00:00.333467 Performance: 41.141 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:44:54,638 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323900 64780 60.473 -31783 6627.9 -38411 -38411 -1.771 -17.782 0.63004 5.6616e+05 2024-05-18 08:45:30,298 INFO [main.py:798]
{rank 0/64} MD step = 324000 step time: 00:00:00.348087 Performance: 41.140 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:45:36,013 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 60.543 -31834 6635.6 -38469 -38469 -1.7686 -17.788 0.62829 5.6634e+05 2024-05-18 08:46:10,656 INFO [main.py:798]
{rank 0/64} MD step = 324100 step time: 00:00:00.352219 Performance: 41.141 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:46:16,947 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 59.819 -31944 6556.2 -38500 -38500 -1.7668 -17.794 0.62776 5.6651e+05 2024-05-18 08:46:51,508 INFO [main.py:798]
{rank 0/64} MD step = 324200 step time: 00:00:00.347290 Performance: 41.141 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:46:58,112 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 324200 64840 59.776 -31843 6551.6 -38395 -38395 -1.7638 -17.8 0.62777 5.6673e+05 2024-05-18 08:47:32,938 INFO [main.py:798]
{rank 0/64} MD step = 324300 step time: 00:00:00.355097 Performance: 41.141 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:47:38,403 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 60.139 -31825 6591.3 -38417 -38417 -1.7598 -17.806 0.6288 5.6692e+05 2024-05-18 08:48:13,774 INFO [main.py:798]
{rank 0/64} MD step = 324400 step time: 00:00:00.349637 Performance: 41.142 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:48:20,045 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 59.918 -31756 6567.1 -38323 -38323 -1.76 -17.812 0.62927 5.6707e+05 2024-05-18 08:48:54,985 INFO [main.py:798]
{rank 0/64} MD step = 324500 step time: 00:00:00.351885 Performance: 41.142 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:49:01,210 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 59.919 -31860 6567.2 -38428 -38428 -1.7577 -17.818 0.63044 5.6722e+05 2024-05-18 08:49:36,579 INFO [main.py:798]
{rank 0/64} MD step = 324600 step time: 00:00:00.361016 Performance: 41.142 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:49:46,414 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 324600 64920 60.026 -31957 6578.9 -38536 -38536 -1.7552 -17.824 0.63023 5.6742e+05 2024-05-18 08:50:21,021 INFO [main.py:798]
{rank 0/64} MD step = 324700 step time: 00:00:00.354908 Performance: 41.141 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:50:27,067 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 324700 64940 60.723 -31966 6655.3 -38621 -38621 -1.7541 -17.83 0.63291 5.6758e+05 2024-05-18 08:51:02,248 INFO [main.py:798]
{rank 0/64} MD step = 324800 step time: 00:00:00.378044 Performance: 41.141 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:51:06,989 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 324800 64960 59.424 -31888 6513 -38401 -38401 -1.7507 -17.834 0.63282 5.6776e+05 2024-05-18 08:51:42,299 INFO [main.py:798]
{rank 0/64} MD step = 324900 step time: 00:00:00.337170 Performance: 41.142 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:51:46,353 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 59.853 -31840 6560 -38400 -38400 -1.7493 -17.841 0.63409 5.6796e+05 2024-05-18 08:52:21,427 INFO [main.py:798]
{rank 0/64} MD step = 325000 step time: 00:00:00.328872 Performance: 41.143 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:52:27,203 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 60.405 -31820 6620.5 -38440 -38440 -1.7455 -17.847 0.63506 5.6813e+05 2024-05-18 08:53:01,771 INFO [main.py:798]
{rank 0/64} MD step = 325100 step time: 00:00:00.329773 Performance: 41.143 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:53:10,875 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 60.319 -31883 6611 -38494 -38494 -1.7436 -17.853 0.63496 5.6832e+05 2024-05-18 08:53:46,521 INFO [main.py:798]
{rank 0/64} MD step = 325200 step time: 00:00:00.335975 Performance: 41.143 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:53:57,615 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 325200 65040 60.028 -31915 6579.2 -38494 -38494 -1.7402 -17.859 0.63567 5.6849e+05 2024-05-18 08:54:32,245 INFO [main.py:798]
{rank 0/64} MD step = 325300 step time: 00:00:00.368970 Performance: 41.141 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:54:36,571 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 325300 65060 59.011 -32061 6467.7 -38529 -38529 -1.7383 -17.865 0.63425 5.6867e+05 2024-05-18 08:55:12,492 INFO [main.py:798]
{rank 0/64} MD step = 325400 step time: 00:00:00.339170 Performance: 41.142 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:55:18,599 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 60.584 -31795 6640.1 -38435 -38435 -1.7367 -17.871 0.63397 5.6881e+05 2024-05-18 08:55:54,742 INFO [main.py:798]
{rank 0/64} MD step = 325500 step time: 00:00:00.342611 Performance: 41.142 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:55:59,891 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 60.621 -31859 6644.2 -38503 -38503 -1.7364 -17.876 0.63529 5.6903e+05 2024-05-18 08:56:34,718 INFO [main.py:798]
{rank 0/64} MD step = 325600 step time: 00:00:00.349728 Performance: 41.143 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:56:40,860 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 325600 65120 60.259 -31831 6604.4 -38436 -38436 -1.735 -17.881 0.63636 5.6923e+05 2024-05-18 08:57:15,439 INFO [main.py:798]
{rank 0/64} MD step = 325700 step time: 00:00:00.353362 Performance: 41.143 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:57:20,225 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 325700 65140 59.493 -32000 6520.6 -38520 -38520 -1.7337 -17.886 0.63573 5.6939e+05 2024-05-18 08:57:55,718 INFO [main.py:798]
{rank 0/64} MD step = 325800 step time: 00:00:00.361673 Performance: 41.143 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:58:02,504 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 60.601 -32025 6641.9 -38667 -38667 -1.7332 -17.891 0.63623 5.6957e+05 2024-05-18 08:58:36,995 INFO [main.py:798]
{rank 0/64} MD step = 325900 step time: 00:00:00.352676 Performance: 41.144 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:58:41,993 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 59.88 -32020 6562.9 -38583 -38583 -1.7339 -17.896 0.636 5.6975e+05 2024-05-18 08:59:18,370 INFO [main.py:798]
{rank 0/64} MD step = 326000 step time: 00:00:00.344758 Performance: 41.144 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 08:59:24,037 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 58.529 -32103 6414.9 -38518 -38518 -1.7339 -17.902 0.63807 5.6993e+05 2024-05-18 08:59:58,653 INFO [main.py:798]
{rank 0/64} MD step = 326100 step time: 00:00:00.336707 Performance: 41.144 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:00:03,135 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 326100 65220 60.429 -31883 6623.1 -38506 -38506 -1.7321 -17.909 0.6385 5.7013e+05 2024-05-18 09:00:38,235 INFO [main.py:798]
{rank 0/64} MD step = 326200 step time: 00:00:00.333621 Performance: 41.145 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:00:43,490 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 58.639 -32135 6426.9 -38562 -38562 -1.7301 -17.915 0.63939 5.7033e+05 2024-05-18 09:01:17,889 INFO [main.py:798]
{rank 0/64} MD step = 326300 step time: 00:00:00.331439 Performance: 41.146 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:01:23,459 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 58.997 -32046 6466.2 -38513 -38513 -1.7267 -17.921 0.6387 5.7049e+05 2024-05-18 09:01:58,053 INFO [main.py:798]
{rank 0/64} MD step = 326400 step time: 00:00:00.336300 Performance: 41.146 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:02:04,742 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 326400 65280 60.086 -31980 6585.6 -38565 -38565 -1.7247 -17.925 0.63853 5.7065e+05 2024-05-18 09:02:39,051 INFO [main.py:798]
{rank 0/64} MD step = 326500 step time: 00:00:00.342983 Performance: 41.147 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:02:45,185 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 59.539 -32134 6525.6 -38660 -38660 -1.7203 -17.931 0.63839 5.7084e+05 2024-05-18 09:03:20,011 INFO [main.py:798]
{rank 0/64} MD step = 326600 step time: 00:00:00.347799 Performance: 41.147 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:03:25,383 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 326600 65320 59.835 -32118 6558 -38676 -38676 -1.7181 -17.936 0.63661 5.7101e+05 2024-05-18 09:04:00,150 INFO [main.py:798]
{rank 0/64} MD step = 326700 step time: 00:00:00.358377 Performance: 41.147 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:04:06,199 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 326700 65340 60.175 -31958 6595.2 -38553 -38553 -1.7145 -17.941 0.63751 5.712e+05 2024-05-18 09:04:40,330 INFO [main.py:798]
{rank 0/64} MD step = 326800 step time: 00:00:00.346949 Performance: 41.148 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:04:45,495 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 326800 65360 60.216 -31922 6599.7 -38522 -38522 -1.714 -17.946 0.63825 5.714e+05 2024-05-18 09:05:19,884 INFO [main.py:798]
{rank 0/64} MD step = 326900 step time: 00:00:00.352368 Performance: 41.149 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:05:25,121 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 326900 65380 60.668 -31994 6649.3 -38644 -38644 -1.7109 -17.952 0.63829 5.7155e+05 2024-05-18 09:05:59,330 INFO [main.py:798]
{rank 0/64} MD step = 327000 step time: 00:00:00.333353 Performance: 41.150 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:06:07,696 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 327000 65400 59.989 -31935 6574.9 -38510 -38510 -1.7078 -17.958 0.63715 5.7174e+05 2024-05-18 09:06:42,227 INFO [main.py:798]
{rank 0/64} MD step = 327100 step time: 00:00:00.350075 Performance: 41.149 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:06:48,685 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 59.489 -32047 6520.1 -38567 -38567 -1.7065 -17.965 0.63565 5.7191e+05 2024-05-18 09:07:26,581 INFO [main.py:798]
{rank 0/64} MD step = 327200 step time: 00:00:00.384831 Performance: 41.149 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:07:35,707 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 327200 65440 60.46 -31913 6626.5 -38539 -38539 -1.7065 -17.969 0.63638 5.7209e+05 2024-05-18 09:08:10,305 INFO [main.py:798]
{rank 0/64} MD step = 327300 step time: 00:00:00.345678 Performance: 41.148 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:08:24,744 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 327300 65460 59.42 -31984 6512.5 -38497 -38497 -1.7048 -17.975 0.6356 5.7224e+05 2024-05-18 09:09:04,125 INFO [main.py:798]
{rank 0/64} MD step = 327400 step time: 00:00:00.347516 Performance: 41.144 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:09:10,592 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 327400 65480 59.148 -32122 6482.7 -38605 -38605 -1.7011 -17.98 0.63387 5.724e+05 2024-05-18 09:09:45,060 INFO [main.py:798]
{rank 0/64} MD step = 327500 step time: 00:00:00.347971 Performance: 41.145 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:09:54,669 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 60.551 -31920 6636.4 -38556 -38556 -1.6982 -17.986 0.6323 5.7256e+05 2024-05-18 09:10:29,237 INFO [main.py:798]
{rank 0/64} MD step = 327600 step time: 00:00:00.415922 Performance: 41.144 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:10:35,301 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 61.071 -31918 6693.5 -38612 -38612 -1.6954 -17.992 0.63276 5.7272e+05 2024-05-18 09:11:09,974 INFO [main.py:798]
{rank 0/64} MD step = 327700 step time: 00:00:00.354289 Performance: 41.145 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:11:19,674 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 59.657 -32046 6538.5 -38584 -38584 -1.6975 -17.997 0.6332 5.7292e+05 2024-05-18 09:11:57,352 INFO [main.py:798]
{rank 0/64} MD step = 327800 step time: 00:00:00.351568 Performance: 41.143 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:12:04,351 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 59.707 -31938 6543.9 -38482 -38482 -1.6969 -18.001 0.63206 5.7309e+05 2024-05-18 09:12:38,899 INFO [main.py:798]
{rank 0/64} MD step = 327900 step time: 00:00:00.350328 Performance: 41.143 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:12:44,397 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 327900 65580 59.517 -32059 6523.1 -38582 -38582 -1.696 -18.006 0.6317 5.7325e+05 2024-05-18 09:13:18,967 INFO [main.py:798]
{rank 0/64} MD step = 328000 step time: 00:00:00.340784 Performance: 41.144 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:13:24,469 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328000 65600 60.365 -31963 6616 -38579 -38579 -1.6961 -18.012 0.63333 5.734e+05 2024-05-18 09:13:59,235 INFO [main.py:798]
{rank 0/64} MD step = 328100 step time: 00:00:00.359580 Performance: 41.144 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:14:03,502 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 59.581 -32001 6530.1 -38531 -38531 -1.6938 -18.019 0.63345 5.7361e+05 2024-05-18 09:14:39,399 INFO [main.py:798]
{rank 0/64} MD step = 328200 step time: 00:00:00.352263 Performance: 41.145 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:14:44,574 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328200 65640 59.883 -31911 6563.2 -38474 -38474 -1.6926 -18.024 0.63451 5.738e+05 2024-05-18 09:15:19,590 INFO [main.py:798]
{rank 0/64} MD step = 328300 step time: 00:00:00.380787 Performance: 41.145 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:15:24,517 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328300 65660 59.097 -31972 6477.1 -38449 -38449 -1.6909 -18.029 0.63497 5.7397e+05 2024-05-18 09:15:59,436 INFO [main.py:798]
{rank 0/64} MD step = 328400 step time: 00:00:00.350523 Performance: 41.146 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:16:07,263 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 59.404 -32094 6510.8 -38605 -38605 -1.6875 -18.034 0.63468 5.7415e+05 2024-05-18 09:16:41,977 INFO [main.py:798]
{rank 0/64} MD step = 328500 step time: 00:00:00.374547 Performance: 41.146 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:16:51,854 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328500 65700 58.837 -32200 6448.6 -38649 -38649 -1.6865 -18.039 0.6345 5.7431e+05 2024-05-18 09:17:26,927 INFO [main.py:798]
{rank 0/64} MD step = 328600 step time: 00:00:00.366360 Performance: 41.145 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:17:47,143 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328600 65720 60.268 -31944 6605.5 -38550 -38550 -1.6859 -18.043 0.63395 5.7449e+05 2024-05-18 09:18:22,298 INFO [main.py:798]
{rank 0/64} MD step = 328700 step time: 00:00:00.345897 Performance: 41.141 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:18:27,488 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328700 65740 60.273 -31896 6606 -38502 -38502 -1.6853 -18.049 0.6347 5.7465e+05 2024-05-18 09:19:02,530 INFO [main.py:798]
{rank 0/64} MD step = 328800 step time: 00:00:00.345633 Performance: 41.141 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:19:07,159 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 60.306 -31841 6609.6 -38451 -38451 -1.6851 -18.053 0.63531 5.7483e+05 2024-05-18 09:19:42,136 INFO [main.py:798]
{rank 0/64} MD step = 328900 step time: 00:00:00.361974 Performance: 41.142 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:19:47,916 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 60.902 -31936 6675 -38611 -38611 -1.6843 -18.059 0.63444 5.7495e+05 2024-05-18 09:20:22,899 INFO [main.py:798]
{rank 0/64} MD step = 329000 step time: 00:00:00.354292 Performance: 41.142 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:20:27,469 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 61.003 -31811 6686.1 -38497 -38497 -1.6807 -18.066 0.6342 5.7512e+05 2024-05-18 09:21:02,394 INFO [main.py:798]
{rank 0/64} MD step = 329100 step time: 00:00:00.375310 Performance: 41.143 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:21:06,601 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329100 65820 59.971 -31814 6572.9 -38387 -38387 -1.6788 -18.071 0.63391 5.7533e+05 2024-05-18 09:21:41,953 INFO [main.py:798]
{rank 0/64} MD step = 329200 step time: 00:00:00.381316 Performance: 41.144 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:21:54,993 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 60.593 -31899 6641 -38540 -38540 -1.6763 -18.075 0.63492 5.7546e+05 2024-05-18 09:22:30,020 INFO [main.py:798]
{rank 0/64} MD step = 329300 step time: 00:00:00.330652 Performance: 41.142 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:22:36,601 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 60.092 -31925 6586.1 -38511 -38511 -1.6719 -18.082 0.6359 5.7563e+05 2024-05-18 09:23:11,485 INFO [main.py:798]
{rank 0/64} MD step = 329400 step time: 00:00:00.331889 Performance: 41.142 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:23:19,114 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329400 65880 60.087 -31831 6585.6 -38416 -38416 -1.6684 -18.087 0.63626 5.758e+05 2024-05-18 09:23:53,735 INFO [main.py:798]
{rank 0/64} MD step = 329500 step time: 00:00:00.351071 Performance: 41.142 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:23:58,925 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329500 65900 59.557 -31830 6527.5 -38357 -38357 -1.6656 -18.093 0.6351 5.76e+05 2024-05-18 09:24:34,545 INFO [main.py:798]
{rank 0/64} MD step = 329600 step time: 00:00:00.333455 Performance: 41.143 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:24:41,398 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329600 65920 59.682 -31842 6541.2 -38383 -38383 -1.6639 -18.098 0.63541 5.7616e+05 2024-05-18 09:25:16,188 INFO [main.py:798]
{rank 0/64} MD step = 329700 step time: 00:00:00.331436 Performance: 41.143 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:25:28,575 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 59.892 -31884 6564.3 -38448 -38448 -1.6613 -18.103 0.63543 5.763e+05 2024-05-18 09:26:03,155 INFO [main.py:798]
{rank 0/64} MD step = 329800 step time: 00:00:00.332880 Performance: 41.141 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:26:09,471 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329800 65960 60.681 -31849 6650.7 -38500 -38500 -1.6583 -18.11 0.63519 5.7648e+05 2024-05-18 09:26:44,181 INFO [main.py:798]
{rank 0/64} MD step = 329900 step time: 00:00:00.330556 Performance: 41.141 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:26:49,746 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329900 65980 60.067 -32054 6583.4 -38637 -38637 -1.6557 -18.116 0.6374 5.766e+05 2024-05-18 09:27:24,496 INFO [main.py:798]
{rank 0/64} MD step = 330000 step time: 00:00:00.333578 Performance: 41.142 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:27:30,010 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 330000 66000 59.441 -32039 6514.8 -38553 -38553 -1.6534 -18.121 0.63785 5.7681e+05 2024-05-18 09:28:05,024 INFO [main.py:798]
{rank 0/64} MD step = 330100 step time: 00:00:00.349325 Performance: 41.142 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:28:10,247 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 330100 66020 60.342 -31843 6613.6 -38456 -38456 -1.6516 -18.126 0.63753 5.7702e+05 2024-05-18 09:28:45,285 INFO [main.py:798]
{rank 0/64} MD step = 330200 step time: 00:00:00.332837 Performance: 41.143 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:28:50,776 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 59.643 -31768 6537 -38305 -38305 -1.6491 -18.132 0.63897 5.772e+05 2024-05-18 09:29:25,906 INFO [main.py:798]
{rank 0/64} MD step = 330300 step time: 00:00:00.353983 Performance: 41.143 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:29:31,872 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 59.863 -31890 6561.1 -38451 -38451 -1.647 -18.137 0.64007 5.7739e+05 2024-05-18 09:30:08,482 INFO [main.py:798]
{rank 0/64} MD step = 330400 step time: 00:00:00.334097 Performance: 41.143 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:30:13,177 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 330400 66080 60.739 -31749 6657 -38406 -38406 -1.6451 -18.142 0.63933 5.7757e+05 2024-05-18 09:30:47,794 INFO [main.py:798]
{rank 0/64} MD step = 330500 step time: 00:00:00.326947 Performance: 41.144 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:30:52,478 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 330500 66100 60.873 -31685 6671.7 -38357 -38357 -1.6408 -18.148 0.63908 5.7776e+05 2024-05-18 09:31:27,711 INFO [main.py:798]
{rank 0/64} MD step = 330600 step time: 00:00:00.349172 Performance: 41.145 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:31:33,377 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 330600 66120 59.622 -31997 6534.7 -38532 -38532 -1.6381 -18.153 0.63825 5.779e+05 2024-05-18 09:32:08,796 INFO [main.py:798]
{rank 0/64} MD step = 330700 step time: 00:00:00.356119 Performance: 41.145 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:32:14,483 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 60.03 -31851 6579.4 -38430 -38430 -1.6343 -18.16 0.63926 5.7809e+05 2024-05-18 09:32:50,518 INFO [main.py:798]
{rank 0/64} MD step = 330800 step time: 00:00:00.367967 Performance: 41.145 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:32:55,724 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 59.667 -31888 6539.5 -38427 -38427 -1.6303 -18.166 0.63804 5.7828e+05 2024-05-18 09:33:31,298 INFO [main.py:798]
{rank 0/64} MD step = 330900 step time: 00:00:00.377179 Performance: 41.145 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:33:37,117 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 60.668 -31725 6649.3 -38375 -38375 -1.6276 -18.17 0.63906 5.7845e+05 2024-05-18 09:34:11,844 INFO [main.py:798]
{rank 0/64} MD step = 331000 step time: 00:00:00.349854 Performance: 41.146 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:34:20,147 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 331000 66200 60.576 -31790 6639.2 -38429 -38429 -1.6237 -18.175 0.63752 5.786e+05 2024-05-18 09:34:54,844 INFO [main.py:798]
{rank 0/64} MD step = 331100 step time: 00:00:00.330849 Performance: 41.145 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:34:59,900 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 331100 66220 61.237 -31672 6711.7 -38384 -38384 -1.6218 -18.181 0.63643 5.7878e+05 2024-05-18 09:35:34,441 INFO [main.py:798]
{rank 0/64} MD step = 331200 step time: 00:00:00.332423 Performance: 41.146 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:35:41,061 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 59.174 -31812 6485.6 -38297 -38297 -1.6193 -18.186 0.63588 5.7895e+05 2024-05-18 09:36:15,944 INFO [main.py:798]
{rank 0/64} MD step = 331300 step time: 00:00:00.331754 Performance: 41.146 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:36:21,362 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 60.702 -31896 6653 -38549 -38549 -1.619 -18.192 0.6368 5.791e+05 2024-05-18 09:36:56,311 INFO [main.py:798]
{rank 0/64} MD step = 331400 step time: 00:00:00.327426 Performance: 41.147 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:37:02,721 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 331400 66280 60.574 -31773 6639 -38412 -38412 -1.6187 -18.198 0.63763 5.7929e+05 2024-05-18 09:37:37,392 INFO [main.py:798]
{rank 0/64} MD step = 331500 step time: 00:00:00.326381 Performance: 41.147 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:37:42,529 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 331500 66300 60.094 -31898 6586.4 -38485 -38485 -1.6166 -18.203 0.63998 5.7944e+05 2024-05-18 09:38:17,620 INFO [main.py:798]
{rank 0/64} MD step = 331600 step time: 00:00:00.327079 Performance: 41.148 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:38:22,178 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 331600 66320 60.066 -31862 6583.3 -38445 -38445 -1.6155 -18.209 0.64068 5.7965e+05 2024-05-18 09:39:00,460 INFO [main.py:798]
{rank 0/64} MD step = 331700 step time: 00:00:00.326035 Performance: 41.147 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:39:08,051 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 331700 66340 60.466 -31756 6627.1 -38383 -38383 -1.6142 -18.215 0.64059 5.7983e+05 2024-05-18 09:39:42,245 INFO [main.py:798]
{rank 0/64} MD step = 331800 step time: 00:00:00.346686 Performance: 41.147 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:39:46,602 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 61.092 -31616 6695.8 -38312 -38312 -1.6118 -18.221 0.6396 5.8002e+05 2024-05-18 09:40:23,330 INFO [main.py:798]
{rank 0/64} MD step = 331900 step time: 00:00:00.343355 Performance: 41.148 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:40:29,125 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 331900 66380 60.902 -31733 6675 -38408 -38408 -1.6095 -18.227 0.63893 5.802e+05 2024-05-18 09:41:04,182 INFO [main.py:798]
{rank 0/64} MD step = 332000 step time: 00:00:00.351454 Performance: 41.148 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:41:09,884 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332000 66400 60.047 -31981 6581.2 -38563 -38563 -1.6056 -18.232 0.63841 5.8036e+05 2024-05-18 09:41:44,511 INFO [main.py:798]
{rank 0/64} MD step = 332100 step time: 00:00:00.352070 Performance: 41.148 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:41:50,247 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332100 66420 59.993 -31784 6575.3 -38359 -38359 -1.6029 -18.238 0.63822 5.8052e+05 2024-05-18 09:42:25,593 INFO [main.py:798]
{rank 0/64} MD step = 332200 step time: 00:00:00.352810 Performance: 41.149 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:42:35,740 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332200 66440 60.58 -31791 6639.7 -38431 -38431 -1.6016 -18.242 0.63794 5.8072e+05 2024-05-18 09:43:10,649 INFO [main.py:798]
{rank 0/64} MD step = 332300 step time: 00:00:00.351741 Performance: 41.148 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:43:15,729 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332300 66460 59.269 -32075 6495.9 -38571 -38571 -1.5999 -18.248 0.6384 5.8087e+05 2024-05-18 09:43:50,334 INFO [main.py:798]
{rank 0/64} MD step = 332400 step time: 00:00:00.354039 Performance: 41.149 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:43:56,228 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332400 66480 59.601 -31968 6532.3 -38500 -38500 -1.5994 -18.252 0.63809 5.8106e+05 2024-05-18 09:44:30,602 INFO [main.py:798]
{rank 0/64} MD step = 332500 step time: 00:00:00.339026 Performance: 41.149 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:44:35,103 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 59.595 -31916 6531.7 -38448 -38448 -1.5984 -18.26 0.63841 5.8125e+05 2024-05-18 09:45:11,256 INFO [main.py:798]
{rank 0/64} MD step = 332600 step time: 00:00:00.355586 Performance: 41.149 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:45:17,082 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 60.079 -31856 6584.7 -38441 -38441 -1.5953 -18.267 0.63794 5.8143e+05 2024-05-18 09:45:52,068 INFO [main.py:798]
{rank 0/64} MD step = 332700 step time: 00:00:00.371836 Performance: 41.150 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:45:57,818 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 60.314 -31884 6610.5 -38495 -38495 -1.5924 -18.273 0.63901 5.8157e+05 2024-05-18 09:46:32,633 INFO [main.py:798]
{rank 0/64} MD step = 332800 step time: 00:00:00.352124 Performance: 41.150 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:46:38,603 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332800 66560 60.127 -31961 6590 -38551 -38551 -1.5892 -18.278 0.63866 5.8176e+05 2024-05-18 09:47:13,300 INFO [main.py:798]
{rank 0/64} MD step = 332900 step time: 00:00:00.336838 Performance: 41.151 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:47:21,635 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 59.167 -31952 6484.7 -38437 -38437 -1.5873 -18.282 0.63886 5.8192e+05 2024-05-18 09:47:55,995 INFO [main.py:798]
{rank 0/64} MD step = 333000 step time: 00:00:00.348892 Performance: 41.150 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:48:01,305 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333000 66600 60.029 -31840 6579.2 -38419 -38419 -1.5841 -18.287 0.6384 5.8209e+05 2024-05-18 09:48:36,147 INFO [main.py:798]
{rank 0/64} MD step = 333100 step time: 00:00:00.336116 Performance: 41.151 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:48:41,751 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 59.414 -31948 6511.9 -38460 -38460 -1.5791 -18.293 0.63922 5.823e+05 2024-05-18 09:49:17,634 INFO [main.py:798]
{rank 0/64} MD step = 333200 step time: 00:00:00.349936 Performance: 41.151 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:49:24,375 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 59.51 -31941 6522.4 -38463 -38463 -1.5738 -18.297 0.63773 5.8246e+05 2024-05-18 09:49:58,805 INFO [main.py:798]
{rank 0/64} MD step = 333300 step time: 00:00:00.347817 Performance: 41.151 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:50:04,907 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333300 66660 59.462 -31883 6517.1 -38400 -38400 -1.5696 -18.304 0.63825 5.8264e+05 2024-05-18 09:50:39,930 INFO [main.py:798]
{rank 0/64} MD step = 333400 step time: 00:00:00.340090 Performance: 41.152 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:50:44,311 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333400 66680 59.797 -31820 6553.8 -38373 -38373 -1.5663 -18.309 0.63784 5.8281e+05 2024-05-18 09:51:20,178 INFO [main.py:798]
{rank 0/64} MD step = 333500 step time: 00:00:00.331560 Performance: 41.152 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:51:25,762 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333500 66700 59.319 -31873 6501.5 -38374 -38374 -1.5644 -18.315 0.636 5.8299e+05 2024-05-18 09:52:01,986 INFO [main.py:798]
{rank 0/64} MD step = 333600 step time: 00:00:00.341975 Performance: 41.152 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:52:08,507 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 60.385 -31834 6618.3 -38452 -38452 -1.5592 -18.32 0.63679 5.8317e+05 2024-05-18 09:52:42,993 INFO [main.py:798]
{rank 0/64} MD step = 333700 step time: 00:00:00.343196 Performance: 41.152 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 09:52:51,638 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333700 66740 60.171 -31783 6594.9 -38377 -38377 -1.5566 -18.325 0.63547 5.8335e+05 2024-05-18 09:53:26,893 INFO [main.py:798]
{rank 0/64} MD step = 333800 step time: 00:00:00.346932 Performance: 41.152 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 09:53:31,314 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333800 66760 60.771 -31778 6660.6 -38439 -38439 -1.5549 -18.33 0.63515 5.8353e+05 2024-05-18 09:54:07,264 INFO [main.py:798]
{rank 0/64} MD step = 333900 step time: 00:00:00.331589 Performance: 41.152 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 09:54:13,634 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333900 66780 59.522 -31890 6523.7 -38414 -38414 -1.5532 -18.336 0.63644 5.8372e+05 2024-05-18 09:54:48,043 INFO [main.py:798]
{rank 0/64} MD step = 334000 step time: 00:00:00.333314 Performance: 41.153 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 09:54:55,083 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 60.065 -31804 6583.2 -38388 -38388 -1.5498 -18.342 0.63718 5.8392e+05 2024-05-18 09:55:29,899 INFO [main.py:798]
{rank 0/64} MD step = 334100 step time: 00:00:00.327923 Performance: 41.153 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 09:55:36,900 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334100 66820 59.926 -31825 6568 -38393 -38393 -1.5473 -18.347 0.63668 5.8405e+05 2024-05-18 09:56:11,667 INFO [main.py:798]
{rank 0/64} MD step = 334200 step time: 00:00:00.356863 Performance: 41.153 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 09:56:17,502 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 59.162 -31942 6484.2 -38427 -38427 -1.5434 -18.354 0.63612 5.8421e+05 2024-05-18 09:56:52,558 INFO [main.py:798]
{rank 0/64} MD step = 334300 step time: 00:00:00.345573 Performance: 41.153 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 09:56:58,686 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334300 66860 60.467 -31675 6627.3 -38302 -38302 -1.5406 -18.359 0.6344 5.8441e+05 2024-05-18 09:57:33,607 INFO [main.py:798]
{rank 0/64} MD step = 334400 step time: 00:00:00.334852 Performance: 41.153 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 09:57:38,078 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334400 66880 59.919 -31971 6567.2 -38538 -38538 -1.5369 -18.363 0.63425 5.8455e+05 2024-05-18 09:58:14,571 INFO [main.py:798]
{rank 0/64} MD step = 334500 step time: 00:00:00.340808 Performance: 41.154 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 09:58:23,290 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334500 66900 60.763 -31873 6659.8 -38533 -38533 -1.534 -18.37 0.63336 5.8472e+05 2024-05-18 09:58:57,410 INFO [main.py:798]
{rank 0/64} MD step = 334600 step time: 00:00:00.336254 Performance: 41.153 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 09:59:03,040 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334600 66920 59.855 -31889 6560.1 -38450 -38450 -1.5291 -18.376 0.63312 5.8488e+05 2024-05-18 09:59:37,972 INFO [main.py:798]
{rank 0/64} MD step = 334700 step time: 00:00:00.384268 Performance: 41.154 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 09:59:44,440 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334700 66940 59.762 -31949 6550 -38499 -38499 -1.5249 -18.38 0.63277 5.8508e+05 2024-05-18 10:00:19,542 INFO [main.py:798]
{rank 0/64} MD step = 334800 step time: 00:00:00.343740 Performance: 41.154 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:00:24,541 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 60.89 -31762 6673.6 -38436 -38436 -1.5202 -18.386 0.63223 5.8527e+05 2024-05-18 10:00:59,738 INFO [main.py:798]
{rank 0/64} MD step = 334900 step time: 00:00:00.348963 Performance: 41.155 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:01:07,284 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334900 66980 59.767 -31934 6550.5 -38485 -38485 -1.5134 -18.391 0.63219 5.8544e+05 2024-05-18 10:01:42,079 INFO [main.py:798]
{rank 0/64} MD step = 335000 step time: 00:00:00.336409 Performance: 41.154 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:01:47,441 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 61.065 -31947 6692.8 -38640 -38640 -1.5104 -18.397 0.63179 5.8563e+05 2024-05-18 10:02:22,246 INFO [main.py:798]
{rank 0/64} MD step = 335100 step time: 00:00:00.348795 Performance: 41.155 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:02:28,381 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335100 67020 61.003 -31706 6686 -38392 -38392 -1.5097 -18.403 0.63218 5.8585e+05 2024-05-18 10:03:04,333 INFO [main.py:798]
{rank 0/64} MD step = 335200 step time: 00:00:00.358543 Performance: 41.155 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:03:11,009 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335200 67040 60.804 -31819 6664.2 -38483 -38483 -1.5108 -18.409 0.63165 5.86e+05 2024-05-18 10:03:46,638 INFO [main.py:798]
{rank 0/64} MD step = 335300 step time: 00:00:00.386822 Performance: 41.155 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:03:51,957 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335300 67060 60.131 -31771 6590.4 -38362 -38362 -1.5102 -18.416 0.6311 5.8619e+05 2024-05-18 10:04:26,760 INFO [main.py:798]
{rank 0/64} MD step = 335400 step time: 00:00:00.362356 Performance: 41.155 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:04:32,420 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335400 67080 59.613 -32015 6533.7 -38548 -38548 -1.5093 -18.42 0.63206 5.8633e+05 2024-05-18 10:05:07,611 INFO [main.py:798]
{rank 0/64} MD step = 335500 step time: 00:00:00.352039 Performance: 41.156 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:05:12,953 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335500 67100 60.282 -31766 6607 -38373 -38373 -1.5047 -18.426 0.63055 5.8655e+05 2024-05-18 10:05:48,159 INFO [main.py:798]
{rank 0/64} MD step = 335600 step time: 00:00:00.360905 Performance: 41.156 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:05:53,683 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335600 67120 60.027 -31929 6579 -38508 -38508 -1.5009 -18.431 0.6305 5.8673e+05 2024-05-18 10:06:30,390 INFO [main.py:798]
{rank 0/64} MD step = 335700 step time: 00:00:00.360261 Performance: 41.156 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:06:35,749 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335700 67140 60.185 -31842 6596.3 -38439 -38439 -1.4996 -18.436 0.62914 5.8688e+05 2024-05-18 10:07:10,264 INFO [main.py:798]
{rank 0/64} MD step = 335800 step time: 00:00:00.349325 Performance: 41.157 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:07:15,838 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 61.039 -31746 6689.9 -38436 -38436 -1.4987 -18.441 0.62919 5.8705e+05 2024-05-18 10:07:52,795 INFO [main.py:798]
{rank 0/64} MD step = 335900 step time: 00:00:00.370855 Performance: 41.156 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:07:59,365 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335900 67180 59.942 -31982 6569.7 -38551 -38551 -1.4965 -18.446 0.6289 5.872e+05 2024-05-18 10:08:34,556 INFO [main.py:798]
{rank 0/64} MD step = 336000 step time: 00:00:00.376041 Performance: 41.157 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:08:44,536 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 59.229 -32097 6491.5 -38588 -38588 -1.4935 -18.451 0.62956 5.8739e+05 2024-05-18 10:09:21,087 INFO [main.py:798]
{rank 0/64} MD step = 336100 step time: 00:00:00.337186 Performance: 41.155 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:09:26,012 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 60.203 -31850 6598.4 -38448 -38448 -1.4905 -18.455 0.62952 5.8759e+05 2024-05-18 10:10:00,750 INFO [main.py:798]
{rank 0/64} MD step = 336200 step time: 00:00:00.346143 Performance: 41.156 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:10:05,319 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 59.567 -31855 6528.7 -38384 -38384 -1.4895 -18.459 0.63089 5.8777e+05 2024-05-18 10:10:40,914 INFO [main.py:798]
{rank 0/64} MD step = 336300 step time: 00:00:00.340438 Performance: 41.156 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:10:47,529 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 60.387 -31802 6618.5 -38421 -38421 -1.4857 -18.464 0.62834 5.8797e+05 2024-05-18 10:11:22,670 INFO [main.py:798]
{rank 0/64} MD step = 336400 step time: 00:00:00.330824 Performance: 41.157 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:11:28,179 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 58.984 -31904 6464.7 -38369 -38369 -1.4816 -18.47 0.62774 5.8813e+05 2024-05-18 10:12:03,057 INFO [main.py:798]
{rank 0/64} MD step = 336500 step time: 00:00:00.341877 Performance: 41.157 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:12:10,423 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 336500 67300 59.582 -31853 6530.3 -38383 -38383 -1.4782 -18.476 0.62745 5.883e+05 2024-05-18 10:12:46,707 INFO [main.py:798]
{rank 0/64} MD step = 336600 step time: 00:00:00.379351 Performance: 41.156 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:12:53,160 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 336600 67320 60.287 -31842 6607.5 -38449 -38449 -1.476 -18.482 0.6261 5.885e+05 2024-05-18 10:13:30,876 INFO [main.py:798]
{rank 0/64} MD step = 336700 step time: 00:00:00.327658 Performance: 41.156 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:13:37,812 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 59.447 -32031 6515.4 -38546 -38546 -1.4752 -18.487 0.62438 5.8867e+05 2024-05-18 10:14:12,816 INFO [main.py:798]
{rank 0/64} MD step = 336800 step time: 00:00:00.345270 Performance: 41.156 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:14:23,531 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 60.08 -32007 6584.9 -38592 -38592 -1.4743 -18.491 0.62292 5.8881e+05 2024-05-18 10:14:58,541 INFO [main.py:798]
{rank 0/64} MD step = 336900 step time: 00:00:00.337534 Performance: 41.155 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:15:04,296 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 336900 67380 60.224 -31821 6600.6 -38421 -38421 -1.4703 -18.496 0.61988 5.8903e+05 2024-05-18 10:15:39,520 INFO [main.py:798]
{rank 0/64} MD step = 337000 step time: 00:00:00.354295 Performance: 41.155 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:15:45,696 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 337000 67400 60.89 -31712 6673.6 -38386 -38386 -1.4664 -18.501 0.61878 5.8918e+05 2024-05-18 10:16:20,439 INFO [main.py:798]
{rank 0/64} MD step = 337100 step time: 00:00:00.376152 Performance: 41.155 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:16:24,424 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 59.894 -31886 6564.5 -38450 -38450 -1.4648 -18.507 0.61814 5.8937e+05 2024-05-18 10:17:00,668 INFO [main.py:798]
{rank 0/64} MD step = 337200 step time: 00:00:00.371555 Performance: 41.156 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:17:06,500 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 337200 67440 60.099 -31871 6586.9 -38458 -38458 -1.4619 -18.514 0.61709 5.8954e+05 2024-05-18 10:17:40,832 INFO [main.py:798]
{rank 0/64} MD step = 337300 step time: 00:00:00.345052 Performance: 41.156 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:17:49,240 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 337300 67460 59.352 -31887 6505 -38392 -38392 -1.4593 -18.521 0.61747 5.8972e+05 2024-05-18 10:18:24,278 INFO [main.py:798]
{rank 0/64} MD step = 337400 step time: 00:00:00.344194 Performance: 41.156 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:18:29,482 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 59.61 -31890 6533.3 -38423 -38423 -1.4565 -18.527 0.61678 5.899e+05 2024-05-18 10:19:04,303 INFO [main.py:798]
{rank 0/64} MD step = 337500 step time: 00:00:00.352944 Performance: 41.157 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:19:10,568 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 60.354 -31871 6614.8 -38486 -38486 -1.4539 -18.532 0.61666 5.9009e+05 2024-05-18 10:19:44,824 INFO [main.py:798]
{rank 0/64} MD step = 337600 step time: 00:00:00.356315 Performance: 41.157 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:19:51,747 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 337600 67520 60.789 -31889 6662.6 -38552 -38552 -1.4516 -18.538 0.61543 5.9024e+05 2024-05-18 10:20:26,102 INFO [main.py:798]
{rank 0/64} MD step = 337700 step time: 00:00:00.362966 Performance: 41.157 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:20:30,706 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 337700 67540 59.333 -32106 6502.9 -38609 -38609 -1.4516 -18.542 0.61402 5.9039e+05 2024-05-18 10:21:07,657 INFO [main.py:798]
{rank 0/64} MD step = 337800 step time: 00:00:00.378223 Performance: 41.157 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:21:14,342 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 61.338 -31759 6722.7 -38481 -38481 -1.4485 -18.545 0.61417 5.9062e+05 2024-05-18 10:21:49,029 INFO [main.py:798]
{rank 0/64} MD step = 337900 step time: 00:00:00.354717 Performance: 41.158 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:21:54,618 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 59.857 -31926 6560.4 -38487 -38487 -1.4465 -18.55 0.61406 5.9076e+05 2024-05-18 10:22:29,503 INFO [main.py:798]
{rank 0/64} MD step = 338000 step time: 00:00:00.351716 Performance: 41.158 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:22:35,197 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338000 67600 60.238 -31835 6602.1 -38437 -38437 -1.4444 -18.555 0.61348 5.9093e+05 2024-05-18 10:23:10,378 INFO [main.py:798]
{rank 0/64} MD step = 338100 step time: 00:00:00.370489 Performance: 41.158 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:23:16,193 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 60.339 -31807 6613.3 -38420 -38420 -1.4407 -18.56 0.61343 5.9113e+05 2024-05-18 10:23:51,249 INFO [main.py:798]
{rank 0/64} MD step = 338200 step time: 00:00:00.354331 Performance: 41.159 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:24:11,706 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 60.567 -31913 6638.2 -38552 -38552 -1.4359 -18.566 0.61264 5.9126e+05 2024-05-18 10:24:45,912 INFO [main.py:798]
{rank 0/64} MD step = 338300 step time: 00:00:00.347445 Performance: 41.155 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:24:52,038 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 60.098 -31881 6586.8 -38468 -38468 -1.4343 -18.571 0.61295 5.9145e+05 2024-05-18 10:25:26,619 INFO [main.py:798]
{rank 0/64} MD step = 338400 step time: 00:00:00.362730 Performance: 41.155 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:25:31,651 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338400 67680 59.537 -31946 6525.4 -38471 -38471 -1.4317 -18.576 0.61245 5.9163e+05 2024-05-18 10:26:05,284 INFO [main.py:798]
{rank 0/64} MD step = 338500 step time: 00:00:00.356673 Performance: 41.156 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:26:11,822 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338500 67700 60.037 -31999 6580.1 -38580 -38580 -1.4302 -18.582 0.61253 5.9179e+05 2024-05-18 10:26:48,505 INFO [main.py:798]
{rank 0/64} MD step = 338600 step time: 00:00:00.352683 Performance: 41.156 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:26:57,151 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 61.04 -31763 6690.1 -38453 -38453 -1.4279 -18.586 0.61188 5.9197e+05 2024-05-18 10:27:31,734 INFO [main.py:798]
{rank 0/64} MD step = 338700 step time: 00:00:00.348034 Performance: 41.156 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:27:37,892 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338700 67740 59.78 -31839 6551.9 -38391 -38391 -1.4251 -18.592 0.61112 5.9216e+05 2024-05-18 10:28:13,152 INFO [main.py:798]
{rank 0/64} MD step = 338800 step time: 00:00:00.346146 Performance: 41.156 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:28:18,765 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 59.64 -31953 6536.6 -38490 -38490 -1.4235 -18.597 0.61035 5.9234e+05 2024-05-18 10:28:54,352 INFO [main.py:798]
{rank 0/64} MD step = 338900 step time: 00:00:00.333695 Performance: 41.156 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:28:59,608 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338900 67780 59.408 -32032 6511.2 -38544 -38544 -1.4199 -18.6 0.60981 5.9251e+05 2024-05-18 10:29:34,479 INFO [main.py:798]
{rank 0/64} MD step = 339000 step time: 00:00:00.372738 Performance: 41.156 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:29:39,627 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 59.596 -31901 6531.8 -38433 -38433 -1.4199 -18.605 0.60788 5.9271e+05 2024-05-18 10:30:14,608 INFO [main.py:798]
{rank 0/64} MD step = 339100 step time: 00:00:00.358536 Performance: 41.157 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:30:18,531 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 60.545 -31796 6635.8 -38431 -38431 -1.4183 -18.61 0.60798 5.9289e+05 2024-05-18 10:30:54,388 INFO [main.py:798]
{rank 0/64} MD step = 339200 step time: 00:00:00.351483 Performance: 41.158 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:31:02,049 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 339200 67840 59.06 -32039 6473.1 -38512 -38512 -1.4165 -18.616 0.60603 5.9304e+05 2024-05-18 10:31:35,979 INFO [main.py:798]
{rank 0/64} MD step = 339300 step time: 00:00:00.335199 Performance: 41.158 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:31:41,981 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 339300 67860 59.054 -32100 6472.4 -38573 -38573 -1.4144 -18.621 0.60602 5.9318e+05 2024-05-18 10:32:18,268 INFO [main.py:798]
{rank 0/64} MD step = 339400 step time: 00:00:00.354851 Performance: 41.158 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:32:23,361 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 60.212 -31898 6599.3 -38497 -38497 -1.4108 -18.626 0.60559 5.9341e+05 2024-05-18 10:32:57,968 INFO [main.py:798]
{rank 0/64} MD step = 339500 step time: 00:00:00.349058 Performance: 41.158 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:33:02,723 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 59.47 -32087 6518 -38605 -38605 -1.4089 -18.631 0.60482 5.9356e+05 2024-05-18 10:33:38,101 INFO [main.py:798]
{rank 0/64} MD step = 339600 step time: 00:00:00.358192 Performance: 41.159 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:33:43,727 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 339600 67920 60.375 -31862 6617.1 -38479 -38479 -1.406 -18.636 0.60595 5.9373e+05 2024-05-18 10:34:19,062 INFO [main.py:798]
{rank 0/64} MD step = 339700 step time: 00:00:00.367333 Performance: 41.159 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:34:24,215 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 59.945 -32057 6570.1 -38627 -38627 -1.4019 -18.641 0.60537 5.9389e+05 2024-05-18 10:34:59,010 INFO [main.py:798]
{rank 0/64} MD step = 339800 step time: 00:00:00.355905 Performance: 41.160 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:35:04,368 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 339800 67960 59.738 -32025 6547.4 -38572 -38572 -1.3992 -18.645 0.60434 5.9405e+05 2024-05-18 10:35:39,436 INFO [main.py:798]
{rank 0/64} MD step = 339900 step time: 00:00:00.347226 Performance: 41.160 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:35:45,540 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 60.713 -31845 6654.2 -38500 -38500 -1.396 -18.65 0.60453 5.9426e+05 2024-05-18 10:36:21,034 INFO [main.py:798]
{rank 0/64} MD step = 340000 step time: 00:00:00.338947 Performance: 41.160 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:36:28,887 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340000 68000 58.818 -31983 6446.5 -38429 -38429 -1.3936 -18.654 0.60449 5.9442e+05 2024-05-18 10:37:03,818 INFO [main.py:798]
{rank 0/64} MD step = 340100 step time: 00:00:00.348323 Performance: 41.160 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:37:08,982 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 60.313 -31989 6610.3 -38599 -38599 -1.3906 -18.659 0.60417 5.9459e+05 2024-05-18 10:37:44,496 INFO [main.py:798]
{rank 0/64} MD step = 340200 step time: 00:00:00.378334 Performance: 41.160 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:37:50,154 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340200 68040 60.731 -31896 6656.2 -38553 -38553 -1.3878 -18.664 0.60498 5.9478e+05 2024-05-18 10:38:27,612 INFO [main.py:798]
{rank 0/64} MD step = 340300 step time: 00:00:00.349741 Performance: 41.160 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:38:33,125 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340300 68060 59.558 -31765 6527.7 -38293 -38293 -1.3856 -18.668 0.60493 5.9499e+05 2024-05-18 10:39:07,679 INFO [main.py:798]
{rank 0/64} MD step = 340400 step time: 00:00:00.358938 Performance: 41.161 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:39:17,134 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340400 68080 59.78 -31889 6551.9 -38441 -38441 -1.3828 -18.673 0.60354 5.9514e+05 2024-05-18 10:39:51,859 INFO [main.py:798]
{rank 0/64} MD step = 340500 step time: 00:00:00.338689 Performance: 41.160 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:40:02,571 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 59.69 -31964 6542.1 -38506 -38506 -1.3788 -18.677 0.60491 5.9533e+05 2024-05-18 10:40:39,528 INFO [main.py:798]
{rank 0/64} MD step = 340600 step time: 00:00:00.390281 Performance: 41.158 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:40:45,643 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 59.62 -31871 6534.4 -38406 -38406 -1.3778 -18.679 0.60616 5.9553e+05 2024-05-18 10:41:20,057 INFO [main.py:798]
{rank 0/64} MD step = 340700 step time: 00:00:00.345015 Performance: 41.159 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:41:25,125 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340700 68140 60.879 -31834 6672.5 -38507 -38507 -1.3758 -18.684 0.6055 5.9563e+05 2024-05-18 10:42:02,420 INFO [main.py:798]
{rank 0/64} MD step = 340800 step time: 00:00:00.345270 Performance: 41.159 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:42:07,850 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340800 68160 60.537 -31823 6634.9 -38458 -38458 -1.3734 -18.689 0.60708 5.9583e+05 2024-05-18 10:42:42,930 INFO [main.py:798]
{rank 0/64} MD step = 340900 step time: 00:00:00.394720 Performance: 41.159 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:42:51,669 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340900 68180 59.503 -31965 6521.6 -38486 -38486 -1.371 -18.693 0.60746 5.96e+05 2024-05-18 10:43:27,639 INFO [main.py:798]
{rank 0/64} MD step = 341000 step time: 00:00:00.350019 Performance: 41.158 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:43:34,648 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 60.184 -31939 6596.3 -38536 -38536 -1.3694 -18.698 0.60615 5.9618e+05 2024-05-18 10:44:09,008 INFO [main.py:798]
{rank 0/64} MD step = 341100 step time: 00:00:00.348843 Performance: 41.159 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:44:16,027 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 59.638 -31918 6536.4 -38454 -38454 -1.3673 -18.704 0.60577 5.9635e+05 2024-05-18 10:44:50,591 INFO [main.py:798]
{rank 0/64} MD step = 341200 step time: 00:00:00.354304 Performance: 41.159 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:44:55,660 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 59.756 -31959 6549.4 -38509 -38509 -1.3654 -18.708 0.60558 5.9649e+05 2024-05-18 10:45:30,225 INFO [main.py:798]
{rank 0/64} MD step = 341300 step time: 00:00:00.356027 Performance: 41.159 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:45:36,405 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 60.354 -31959 6614.9 -38574 -38574 -1.3622 -18.713 0.60525 5.9669e+05 2024-05-18 10:46:10,339 INFO [main.py:798]
{rank 0/64} MD step = 341400 step time: 00:00:00.338584 Performance: 41.160 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:46:18,175 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 60.162 -31868 6593.8 -38462 -38462 -1.3598 -18.718 0.60398 5.9688e+05 2024-05-18 10:46:53,316 INFO [main.py:798]
{rank 0/64} MD step = 341500 step time: 00:00:00.338364 Performance: 41.160 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:47:03,668 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 59.282 -31960 6497.3 -38457 -38457 -1.3551 -18.722 0.60336 5.9706e+05 2024-05-18 10:47:38,287 INFO [main.py:798]
{rank 0/64} MD step = 341600 step time: 00:00:00.352575 Performance: 41.159 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:47:46,312 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 59.509 -31867 6522.3 -38389 -38389 -1.3508 -18.728 0.60218 5.9726e+05 2024-05-18 10:48:20,457 INFO [main.py:798]
{rank 0/64} MD step = 341700 step time: 00:00:00.340551 Performance: 41.159 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:48:26,589 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 341700 68340 59.151 -31995 6483 -38478 -38478 -1.3477 -18.733 0.60085 5.974e+05 2024-05-18 10:49:01,843 INFO [main.py:798]
{rank 0/64} MD step = 341800 step time: 00:00:00.354276 Performance: 41.159 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:49:09,437 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 341800 68360 60.02 -31837 6578.3 -38415 -38415 -1.3448 -18.74 0.59956 5.976e+05 2024-05-18 10:49:44,001 INFO [main.py:798]
{rank 0/64} MD step = 341900 step time: 00:00:00.355972 Performance: 41.159 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:49:50,536 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 59.751 -32155 6548.8 -38704 -38704 -1.3387 -18.746 0.59867 5.9772e+05 2024-05-18 10:50:25,385 INFO [main.py:798]
{rank 0/64} MD step = 342000 step time: 00:00:00.341276 Performance: 41.159 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:50:29,712 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 60.836 -31807 6667.7 -38474 -38474 -1.3338 -18.751 0.59885 5.9793e+05 2024-05-18 10:51:05,837 INFO [main.py:798]
{rank 0/64} MD step = 342100 step time: 00:00:00.335052 Performance: 41.159 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:51:11,814 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342100 68420 60.106 -31854 6587.7 -38442 -38442 -1.3314 -18.755 0.5976 5.9813e+05 2024-05-18 10:51:47,253 INFO [main.py:798]
{rank 0/64} MD step = 342200 step time: 00:00:00.367612 Performance: 41.160 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:51:51,586 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342200 68440 59.585 -31894 6530.6 -38425 -38425 -1.33 -18.76 0.59635 5.9829e+05 2024-05-18 10:52:28,591 INFO [main.py:798]
{rank 0/64} MD step = 342300 step time: 00:00:00.349016 Performance: 41.160 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:52:34,990 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342300 68460 59.583 -31940 6530.4 -38470 -38470 -1.3275 -18.766 0.59497 5.9845e+05 2024-05-18 10:53:09,361 INFO [main.py:798]
{rank 0/64} MD step = 342400 step time: 00:00:00.339067 Performance: 41.160 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:53:15,268 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342400 68480 59.868 -32070 6561.6 -38631 -38631 -1.3262 -18.772 0.59503 5.9865e+05 2024-05-18 10:53:50,779 INFO [main.py:798]
{rank 0/64} MD step = 342500 step time: 00:00:00.374764 Performance: 41.160 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:53:55,560 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342500 68500 60.903 -31833 6675 -38508 -38508 -1.3231 -18.778 0.59493 5.9884e+05 2024-05-18 10:54:31,371 INFO [main.py:798]
{rank 0/64} MD step = 342600 step time: 00:00:00.351236 Performance: 41.161 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:54:45,725 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342600 68520 59.431 -32066 6513.7 -38579 -38579 -1.3195 -18.782 0.59645 5.9896e+05 2024-05-18 10:55:19,933 INFO [main.py:798]
{rank 0/64} MD step = 342700 step time: 00:00:00.350410 Performance: 41.159 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:55:26,248 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 60.345 -31882 6613.9 -38496 -38496 -1.3166 -18.785 0.59676 5.9913e+05 2024-05-18 10:56:00,868 INFO [main.py:798]
{rank 0/64} MD step = 342800 step time: 00:00:00.353007 Performance: 41.159 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:56:07,148 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342800 68560 59.488 -31940 6520 -38460 -38460 -1.3121 -18.79 0.59693 5.9933e+05 2024-05-18 10:56:41,713 INFO [main.py:798]
{rank 0/64} MD step = 342900 step time: 00:00:00.376777 Performance: 41.159 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:56:46,990 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 60.047 -31881 6581.2 -38462 -38462 -1.3101 -18.797 0.59761 5.9948e+05 2024-05-18 10:57:23,526 INFO [main.py:798]
{rank 0/64} MD step = 343000 step time: 00:00:00.342248 Performance: 41.159 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:57:33,650 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 59.794 -31825 6553.5 -38379 -38379 -1.3061 -18.802 0.59661 5.9969e+05 2024-05-18 10:58:08,282 INFO [main.py:798]
{rank 0/64} MD step = 343100 step time: 00:00:00.343697 Performance: 41.159 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:58:14,971 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 59.507 -31861 6522.1 -38383 -38383 -1.3043 -18.805 0.5954 5.9985e+05 2024-05-18 10:58:50,020 INFO [main.py:798]
{rank 0/64} MD step = 343200 step time: 00:00:00.345080 Performance: 41.159 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:58:55,892 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 59.351 -32138 6504.9 -38643 -38643 -1.3012 -18.812 0.5954 6.0001e+05 2024-05-18 10:59:30,392 INFO [main.py:798]
{rank 0/64} MD step = 343300 step time: 00:00:00.359392 Performance: 41.159 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 10:59:36,112 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 61.155 -31827 6702.7 -38530 -38530 -1.2973 -18.815 0.59528 6.0016e+05 2024-05-18 11:00:10,865 INFO [main.py:798]
{rank 0/64} MD step = 343400 step time: 00:00:00.351425 Performance: 41.160 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:00:16,750 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 60.165 -31926 6594.2 -38520 -38520 -1.294 -18.82 0.59486 6.0033e+05 2024-05-18 11:00:52,157 INFO [main.py:798]
{rank 0/64} MD step = 343500 step time: 00:00:00.356658 Performance: 41.160 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:00:56,682 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 343500 68700 58.645 -32092 6427.5 -38520 -38520 -1.2918 -18.824 0.59309 6.0049e+05 2024-05-18 11:01:32,825 INFO [main.py:798]
{rank 0/64} MD step = 343600 step time: 00:00:00.354333 Performance: 41.160 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:01:40,689 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 343600 68720 59.667 -32022 6539.5 -38561 -38561 -1.2883 -18.829 0.59283 6.0068e+05 2024-05-18 11:02:15,824 INFO [main.py:798]
{rank 0/64} MD step = 343700 step time: 00:00:00.382150 Performance: 41.160 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:02:20,815 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 343700 68740 59.71 -31828 6544.3 -38372 -38372 -1.2859 -18.833 0.59192 6.0087e+05 2024-05-18 11:02:58,500 INFO [main.py:798]
{rank 0/64} MD step = 343800 step time: 00:00:00.356868 Performance: 41.160 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:03:05,176 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 343800 68760 59.625 -31896 6535 -38431 -38431 -1.2829 -18.839 0.59108 6.0103e+05 2024-05-18 11:03:39,373 INFO [main.py:798]
{rank 0/64} MD step = 343900 step time: 00:00:00.348499 Performance: 41.160 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:03:45,837 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 60.17 -31990 6594.7 -38584 -38584 -1.2798 -18.843 0.59093 6.0121e+05 2024-05-18 11:04:20,090 INFO [main.py:798]
{rank 0/64} MD step = 344000 step time: 00:00:00.342015 Performance: 41.160 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:04:27,294 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344000 68800 58.846 -32090 6449.6 -38540 -38540 -1.278 -18.849 0.58898 6.014e+05 2024-05-18 11:05:02,599 INFO [main.py:798]
{rank 0/64} MD step = 344100 step time: 00:00:00.344198 Performance: 41.160 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:05:09,311 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 59.972 -31846 6573 -38419 -38419 -1.2748 -18.854 0.58996 6.0158e+05 2024-05-18 11:05:43,805 INFO [main.py:798]
{rank 0/64} MD step = 344200 step time: 00:00:00.358923 Performance: 41.160 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:05:48,434 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344200 68840 59.979 -32022 6573.8 -38596 -38596 -1.2711 -18.86 0.58971 6.0173e+05 2024-05-18 11:06:24,359 INFO [main.py:798]
{rank 0/64} MD step = 344300 step time: 00:00:00.352061 Performance: 41.161 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:06:30,831 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344300 68860 60.516 -31906 6632.6 -38539 -38539 -1.2674 -18.866 0.59032 6.0193e+05 2024-05-18 11:07:05,632 INFO [main.py:798]
{rank 0/64} MD step = 344400 step time: 00:00:00.380596 Performance: 41.161 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:07:13,405 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 59.904 -31880 6565.5 -38446 -38446 -1.2661 -18.872 0.58942 6.0214e+05 2024-05-18 11:07:48,051 INFO [main.py:798]
{rank 0/64} MD step = 344500 step time: 00:00:00.368410 Performance: 41.161 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:07:54,786 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344500 68900 59.383 -32051 6508.4 -38559 -38559 -1.2626 -18.876 0.58986 6.0228e+05 2024-05-18 11:08:30,861 INFO [main.py:798]
{rank 0/64} MD step = 344600 step time: 00:00:00.345191 Performance: 41.161 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:08:36,926 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344600 68920 59.255 -31914 6494.4 -38409 -38409 -1.2596 -18.881 0.58981 6.0247e+05 2024-05-18 11:09:11,281 INFO [main.py:798]
{rank 0/64} MD step = 344700 step time: 00:00:00.351065 Performance: 41.161 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:09:16,667 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344700 68940 59.898 -31938 6564.9 -38503 -38503 -1.2555 -18.886 0.59066 6.0266e+05 2024-05-18 11:09:50,414 INFO [main.py:798]
{rank 0/64} MD step = 344800 step time: 00:00:00.326008 Performance: 41.162 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:09:59,704 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 60.522 -31728 6633.2 -38362 -38362 -1.2536 -18.89 0.58877 6.0284e+05 2024-05-18 11:10:34,439 INFO [main.py:798]
{rank 0/64} MD step = 344900 step time: 00:00:00.348112 Performance: 41.161 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:10:39,431 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344900 68980 60.501 -31808 6631 -38439 -38439 -1.2521 -18.895 0.58701 6.03e+05 2024-05-18 11:11:14,654 INFO [main.py:798]
{rank 0/64} MD step = 345000 step time: 00:00:00.348995 Performance: 41.162 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:11:20,448 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345000 69000 59.895 -31928 6564.6 -38492 -38492 -1.2483 -18.901 0.58612 6.0318e+05 2024-05-18 11:11:55,194 INFO [main.py:798]
{rank 0/64} MD step = 345100 step time: 00:00:00.332250 Performance: 41.162 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:12:05,123 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345100 69020 59.663 -32059 6539.1 -38598 -38598 -1.2473 -18.905 0.58599 6.0334e+05 2024-05-18 11:12:41,251 INFO [main.py:798]
{rank 0/64} MD step = 345200 step time: 00:00:00.371320 Performance: 41.161 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:12:49,518 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345200 69040 60.753 -31857 6658.6 -38515 -38515 -1.246 -18.91 0.58517 6.035e+05 2024-05-18 11:13:24,120 INFO [main.py:798]
{rank 0/64} MD step = 345300 step time: 00:00:00.345600 Performance: 41.161 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:13:28,628 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 59.876 -31856 6562.5 -38419 -38419 -1.2435 -18.915 0.5834 6.0372e+05 2024-05-18 11:14:04,253 INFO [main.py:798]
{rank 0/64} MD step = 345400 step time: 00:00:00.357121 Performance: 41.161 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:14:11,170 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345400 69080 59.596 -32001 6531.8 -38533 -38533 -1.2411 -18.921 0.58232 6.0386e+05 2024-05-18 11:14:46,182 INFO [main.py:798]
{rank 0/64} MD step = 345500 step time: 00:00:00.341251 Performance: 41.161 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:14:53,399 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345500 69100 59.618 -31996 6534.2 -38530 -38530 -1.2383 -18.925 0.58137 6.0406e+05 2024-05-18 11:15:28,228 INFO [main.py:798]
{rank 0/64} MD step = 345600 step time: 00:00:00.365011 Performance: 41.161 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:15:34,144 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 60.744 -31980 6657.6 -38638 -38638 -1.2351 -18.929 0.58114 6.0425e+05 2024-05-18 11:16:08,803 INFO [main.py:798]
{rank 0/64} MD step = 345700 step time: 00:00:00.354565 Performance: 41.162 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:16:15,133 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 60.225 -31903 6600.7 -38504 -38504 -1.2341 -18.934 0.58171 6.0443e+05 2024-05-18 11:16:50,834 INFO [main.py:798]
{rank 0/64} MD step = 345800 step time: 00:00:00.375448 Performance: 41.162 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:16:56,221 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345800 69160 59.864 -32009 6561.2 -38570 -38570 -1.2306 -18.939 0.58045 6.0459e+05 2024-05-18 11:17:30,717 INFO [main.py:798]
{rank 0/64} MD step = 345900 step time: 00:00:00.354296 Performance: 41.162 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:17:36,558 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345900 69180 60.479 -31708 6628.6 -38337 -38337 -1.2294 -18.944 0.57873 6.0479e+05 2024-05-18 11:18:11,433 INFO [main.py:798]
{rank 0/64} MD step = 346000 step time: 00:00:00.346808 Performance: 41.163 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:18:16,472 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 60.493 -31689 6630.1 -38319 -38319 -1.2269 -18.948 0.57862 6.0497e+05 2024-05-18 11:18:51,328 INFO [main.py:798]
{rank 0/64} MD step = 346100 step time: 00:00:00.338866 Performance: 41.163 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:18:57,418 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346100 69220 60.708 -31721 6653.7 -38375 -38375 -1.225 -18.952 0.57898 6.0512e+05 2024-05-18 11:19:31,904 INFO [main.py:798]
{rank 0/64} MD step = 346200 step time: 00:00:00.348275 Performance: 41.164 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:19:38,385 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 59.941 -31845 6569.6 -38415 -38415 -1.2226 -18.957 0.5774 6.0531e+05 2024-05-18 11:20:13,000 INFO [main.py:798]
{rank 0/64} MD step = 346300 step time: 00:00:00.351609 Performance: 41.164 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:20:19,057 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346300 69260 60.18 -31922 6595.8 -38518 -38518 -1.2207 -18.963 0.57577 6.0544e+05 2024-05-18 11:20:55,469 INFO [main.py:798]
{rank 0/64} MD step = 346400 step time: 00:00:00.350452 Performance: 41.164 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:21:02,486 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 59.714 -31975 6544.7 -38520 -38520 -1.2176 -18.967 0.57518 6.0561e+05 2024-05-18 11:21:36,770 INFO [main.py:798]
{rank 0/64} MD step = 346500 step time: 00:00:00.365984 Performance: 41.164 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:21:42,132 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346500 69300 59.699 -31908 6543.1 -38451 -38451 -1.2143 -18.972 0.57359 6.0581e+05 2024-05-18 11:22:17,433 INFO [main.py:798]
{rank 0/64} MD step = 346600 step time: 00:00:00.352892 Performance: 41.164 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:22:23,430 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 61.011 -31796 6686.9 -38482 -38482 -1.2099 -18.977 0.57152 6.0593e+05 2024-05-18 11:22:58,267 INFO [main.py:798]
{rank 0/64} MD step = 346700 step time: 00:00:00.397654 Performance: 41.165 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:23:04,511 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 58.891 -32081 6454.5 -38535 -38535 -1.2084 -18.983 0.5718 6.0613e+05 2024-05-18 11:23:39,242 INFO [main.py:798]
{rank 0/64} MD step = 346800 step time: 00:00:00.344822 Performance: 41.165 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:23:44,612 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346800 69360 60.039 -31743 6580.3 -38324 -38324 -1.2087 -18.987 0.57087 6.0632e+05 2024-05-18 11:24:19,529 INFO [main.py:798]
{rank 0/64} MD step = 346900 step time: 00:00:00.355086 Performance: 41.165 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:24:24,671 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346900 69380 60.365 -31711 6616.1 -38327 -38327 -1.2087 -18.991 0.56981 6.0647e+05 2024-05-18 11:24:59,739 INFO [main.py:798]
{rank 0/64} MD step = 347000 step time: 00:00:00.346021 Performance: 41.166 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:25:05,618 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 60.361 -31698 6615.6 -38314 -38314 -1.2063 -18.995 0.56982 6.0666e+05 2024-05-18 11:25:41,181 INFO [main.py:798]
{rank 0/64} MD step = 347100 step time: 00:00:00.351489 Performance: 41.166 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:25:48,544 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347100 69420 59.959 -31803 6571.5 -38374 -38374 -1.2053 -18.999 0.56877 6.0682e+05 2024-05-18 11:26:23,171 INFO [main.py:798]
{rank 0/64} MD step = 347200 step time: 00:00:00.352738 Performance: 41.166 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:26:28,604 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 61.255 -31751 6713.6 -38464 -38464 -1.2037 -19.004 0.56849 6.0701e+05 2024-05-18 11:27:02,995 INFO [main.py:798]
{rank 0/64} MD step = 347300 step time: 00:00:00.347485 Performance: 41.167 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:27:08,823 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 60.989 -31812 6684.5 -38496 -38496 -1.2027 -19.009 0.56932 6.0716e+05 2024-05-18 11:27:43,759 INFO [main.py:798]
{rank 0/64} MD step = 347400 step time: 00:00:00.353154 Performance: 41.167 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:27:50,927 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347400 69480 60.622 -31750 6644.2 -38394 -38394 -1.2022 -19.014 0.56813 6.0736e+05 2024-05-18 11:28:25,903 INFO [main.py:798]
{rank 0/64} MD step = 347500 step time: 00:00:00.376103 Performance: 41.167 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:28:31,813 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347500 69500 60.052 -31757 6581.8 -38338 -38338 -1.2016 -19.017 0.56813 6.0753e+05 2024-05-18 11:29:06,092 INFO [main.py:798]
{rank 0/64} MD step = 347600 step time: 00:00:00.347631 Performance: 41.168 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:29:12,616 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347600 69520 60.022 -31888 6578.5 -38466 -38466 -1.1992 -19.022 0.56821 6.0768e+05 2024-05-18 11:29:47,455 INFO [main.py:798]
{rank 0/64} MD step = 347700 step time: 00:00:00.342071 Performance: 41.168 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:29:55,788 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347700 69540 59.965 -31911 6572.3 -38484 -38484 -1.1962 -19.026 0.56578 6.0787e+05 2024-05-18 11:30:31,104 INFO [main.py:798]
{rank 0/64} MD step = 347800 step time: 00:00:00.347641 Performance: 41.167 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:30:35,698 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347800 69560 59.558 -32049 6527.6 -38576 -38576 -1.1946 -19.029 0.56365 6.0804e+05 2024-05-18 11:31:11,072 INFO [main.py:798]
{rank 0/64} MD step = 347900 step time: 00:00:00.342620 Performance: 41.168 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:31:16,312 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 59.745 -31907 6548.1 -38455 -38455 -1.1913 -19.034 0.56277 6.0825e+05 2024-05-18 11:31:51,513 INFO [main.py:798]
{rank 0/64} MD step = 348000 step time: 00:00:00.378290 Performance: 41.168 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:31:56,756 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348000 69600 59.906 -31884 6565.8 -38450 -38450 -1.1889 -19.038 0.56173 6.0843e+05 2024-05-18 11:32:31,906 INFO [main.py:798]
{rank 0/64} MD step = 348100 step time: 00:00:00.377943 Performance: 41.169 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:32:36,755 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348100 69620 59.823 -31951 6556.7 -38508 -38508 -1.1872 -19.043 0.56127 6.0862e+05 2024-05-18 11:33:12,994 INFO [main.py:798]
{rank 0/64} MD step = 348200 step time: 00:00:00.347106 Performance: 41.169 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:33:19,180 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348200 69640 60.421 -31863 6622.2 -38485 -38485 -1.1874 -19.048 0.5616 6.0876e+05 2024-05-18 11:33:53,878 INFO [main.py:798]
{rank 0/64} MD step = 348300 step time: 00:00:00.352991 Performance: 41.169 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:33:59,521 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 61.378 -31633 6727.1 -38360 -38360 -1.1891 -19.051 0.56192 6.0897e+05 2024-05-18 11:34:34,537 INFO [main.py:798]
{rank 0/64} MD step = 348400 step time: 00:00:00.358897 Performance: 41.170 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:34:40,981 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348400 69680 59.91 -31846 6566.2 -38412 -38412 -1.1904 -19.055 0.5626 6.0915e+05 2024-05-18 11:35:15,055 INFO [main.py:798]
{rank 0/64} MD step = 348500 step time: 00:00:00.331086 Performance: 41.170 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 11:35:30,056 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348500 69700 60.129 -31850 6590.2 -38441 -38441 -1.1901 -19.061 0.56289 6.0928e+05 2024-05-18 11:36:05,302 INFO [main.py:798]
{rank 0/64} MD step = 348600 step time: 00:00:00.348070 Performance: 41.168 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:36:12,244 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 61.019 -31728 6687.8 -38416 -38416 -1.1902 -19.066 0.56254 6.0944e+05 2024-05-18 11:36:46,093 INFO [main.py:798]
{rank 0/64} MD step = 348700 step time: 00:00:00.329482 Performance: 41.168 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:36:51,879 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 59.911 -31884 6566.3 -38451 -38451 -1.1881 -19.071 0.56117 6.0961e+05 2024-05-18 11:37:26,809 INFO [main.py:798]
{rank 0/64} MD step = 348800 step time: 00:00:00.346931 Performance: 41.168 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:37:32,282 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 59.917 -31906 6566.9 -38473 -38473 -1.186 -19.075 0.55994 6.0978e+05 2024-05-18 11:38:07,167 INFO [main.py:798]
{rank 0/64} MD step = 348900 step time: 00:00:00.337557 Performance: 41.169 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:38:15,338 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348900 69780 60.106 -31852 6587.7 -38440 -38440 -1.1834 -19.08 0.55976 6.0998e+05 2024-05-18 11:38:51,468 INFO [main.py:798]
{rank 0/64} MD step = 349000 step time: 00:00:00.328014 Performance: 41.168 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:38:57,349 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 59.745 -32008 6548.1 -38556 -38556 -1.1803 -19.085 0.55865 6.1015e+05 2024-05-18 11:39:32,956 INFO [main.py:798]
{rank 0/64} MD step = 349100 step time: 00:00:00.327450 Performance: 41.168 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:39:40,096 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 349100 69820 60.683 -31675 6650.9 -38326 -38326 -1.1773 -19.089 0.55999 6.1031e+05 2024-05-18 11:40:14,899 INFO [main.py:798]
{rank 0/64} MD step = 349200 step time: 00:00:00.327448 Performance: 41.168 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:40:19,174 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 61.168 -31547 6704.1 -38251 -38251 -1.174 -19.093 0.55792 6.1051e+05 2024-05-18 11:40:55,156 INFO [main.py:798]
{rank 0/64} MD step = 349300 step time: 00:00:00.341067 Performance: 41.169 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:41:02,645 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 60.921 -31731 6677.1 -38408 -38408 -1.1726 -19.098 0.55816 6.1063e+05 2024-05-18 11:41:37,377 INFO [main.py:798]
{rank 0/64} MD step = 349400 step time: 00:00:00.331188 Performance: 41.169 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:41:43,288 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 349400 69880 60.513 -31787 6632.3 -38420 -38420 -1.1704 -19.102 0.55699 6.1082e+05 2024-05-18 11:42:17,839 INFO [main.py:798]
{rank 0/64} MD step = 349500 step time: 00:00:00.327264 Performance: 41.169 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:42:24,811 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 349500 69900 60.582 -31852 6639.9 -38492 -38492 -1.1703 -19.107 0.55611 6.1097e+05 2024-05-18 11:42:59,750 INFO [main.py:798]
{rank 0/64} MD step = 349600 step time: 00:00:00.330510 Performance: 41.169 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:43:06,537 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 349600 69920 59.65 -31853 6537.7 -38391 -38391 -1.1705 -19.112 0.55598 6.1116e+05 2024-05-18 11:43:42,593 INFO [main.py:798]
{rank 0/64} MD step = 349700 step time: 00:00:00.356275 Performance: 41.169 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:43:47,962 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 60.157 -31871 6593.3 -38465 -38465 -1.1695 -19.117 0.55462 6.1133e+05 2024-05-18 11:44:22,616 INFO [main.py:798]
{rank 0/64} MD step = 349800 step time: 00:00:00.330210 Performance: 41.169 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:44:30,125 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 349800 69960 59.471 -31875 6518.1 -38393 -38393 -1.1668 -19.123 0.55521 6.115e+05 2024-05-18 11:45:05,075 INFO [main.py:798]
{rank 0/64} MD step = 349900 step time: 00:00:00.344813 Performance: 41.169 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 11:45:10,293 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 349900 69980 60.226 -31836 6600.9 -38437 -38437 -1.1635 -19.127 0.55443 6.1169e+05 2024-05-18 11:45:45,982 INFO [main.py:798]
{rank 0/64} MD step = 350000 step time: 00:00:00.347934 Performance: 41.170 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 11:45:51,951 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 60.125 -31716 6589.7 -38306 -38306 -1.1628 -19.132 0.55369 6.1187e+05 2024-05-18 11:46:26,962 INFO [main.py:798]
{rank 0/64} MD step = 350100 step time: 00:00:00.347480 Performance: 41.170 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 11:46:32,255 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 350100 70020 60.417 -31848 6621.7 -38469 -38469 -1.1616 -19.137 0.55404 6.1204e+05 2024-05-18 11:47:06,784 INFO [main.py:798]
{rank 0/64} MD step = 350200 step time: 00:00:00.371574 Performance: 41.171 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 11:47:12,647 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 58.975 -31885 6463.8 -38349 -38349 -1.1586 -19.14 0.55368 6.1222e+05 2024-05-18 11:47:47,377 INFO [main.py:798]
{rank 0/64} MD step = 350300 step time: 00:00:00.339767 Performance: 41.171 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 11:47:53,841 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 59.668 -31936 6539.7 -38476 -38476 -1.157 -19.145 0.55261 6.1238e+05 2024-05-18 11:48:29,984 INFO [main.py:798]
{rank 0/64} MD step = 350400 step time: 00:00:00.343540 Performance: 41.171 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 11:48:35,892 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 60.413 -31707 6621.3 -38329 -38329 -1.1544 -19.15 0.55283 6.1256e+05 2024-05-18 11:49:10,546 INFO [main.py:798]
{rank 0/64} MD step = 350500 step time: 00:00:00.351182 Performance: 41.171 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 11:49:17,843 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 350500 70100 60.477 -31965 6628.4 -38593 -38593 -1.1553 -19.155 0.55127 6.1268e+05 2024-05-18 11:49:52,934 INFO [main.py:798]
{rank 0/64} MD step = 350600 step time: 00:00:00.343084 Performance: 41.171 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 11:49:57,218 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 59.368 -31880 6506.8 -38387 -38387 -1.1563 -19.161 0.55195 6.1286e+05 2024-05-18 11:50:33,037 INFO [main.py:798]
{rank 0/64} MD step = 350700 step time: 00:00:00.349406 Performance: 41.172 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 11:50:39,046 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 350700 70140 60.741 -31787 6657.3 -38444 -38444 -1.157 -19.167 0.54977 6.1302e+05 2024-05-18 11:51:13,691 INFO [main.py:798]
{rank 0/64} MD step = 350800 step time: 00:00:00.353686 Performance: 41.172 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 11:51:18,145 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 350800 70160 59.579 -31899 6530 -38428 -38428 -1.1574 -19.172 0.54957 6.1326e+05 2024-05-18 11:51:53,264 INFO [main.py:798]
{rank 0/64} MD step = 350900 step time: 00:00:00.343138 Performance: 41.173 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 11:51:58,194 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 350900 70180 59.503 -31922 6521.6 -38444 -38444 -1.1572 -19.177 0.54735 6.134e+05 2024-05-18 11:52:33,145 INFO [main.py:798]
{rank 0/64} MD step = 351000 step time: 00:00:00.348366 Performance: 41.173 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 11:52:43,971 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351000 70200 59.909 -31858 6566.1 -38424 -38424 -1.1538 -19.182 0.54763 6.1358e+05 2024-05-18 11:53:17,878 INFO [main.py:798]
{rank 0/64} MD step = 351100 step time: 00:00:00.334270 Performance: 41.172 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 11:53:26,478 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351100 70220 59.643 -31822 6536.9 -38359 -38359 -1.1508 -19.187 0.54923 6.1375e+05 2024-05-18 11:54:00,972 INFO [main.py:798]
{rank 0/64} MD step = 351200 step time: 00:00:00.351550 Performance: 41.172 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 11:54:09,402 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351200 70240 60.143 -31971 6591.7 -38563 -38563 -1.15 -19.192 0.54971 6.1391e+05 2024-05-18 11:54:44,221 INFO [main.py:798]
{rank 0/64} MD step = 351300 step time: 00:00:00.373730 Performance: 41.172 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 11:54:51,236 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351300 70260 59.841 -31779 6558.6 -38338 -38338 -1.1497 -19.196 0.54887 6.1411e+05 2024-05-18 11:55:26,083 INFO [main.py:798]
{rank 0/64} MD step = 351400 step time: 00:00:00.352393 Performance: 41.172 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 11:55:31,072 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351400 70280 60.286 -31824 6607.4 -38431 -38431 -1.1491 -19.202 0.54957 6.1429e+05 2024-05-18 11:56:05,866 INFO [main.py:798]
{rank 0/64} MD step = 351500 step time: 00:00:00.367168 Performance: 41.172 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 11:56:11,488 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351500 70300 59.613 -31865 6533.6 -38398 -38398 -1.149 -19.207 0.54944 6.1445e+05 2024-05-18 11:56:45,947 INFO [main.py:798]
{rank 0/64} MD step = 351600 step time: 00:00:00.355559 Performance: 41.173 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 11:56:53,319 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351600 70320 59.774 -31990 6551.3 -38542 -38542 -1.1485 -19.211 0.55028 6.1463e+05 2024-05-18 11:57:28,344 INFO [main.py:798]
{rank 0/64} MD step = 351700 step time: 00:00:00.359410 Performance: 41.173 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 11:57:34,526 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 60.399 -31805 6619.9 -38425 -38425 -1.1498 -19.214 0.5496 6.1481e+05 2024-05-18 11:58:09,352 INFO [main.py:798]
{rank 0/64} MD step = 351800 step time: 00:00:00.351665 Performance: 41.173 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 11:58:13,933 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 60.361 -31848 6615.6 -38463 -38463 -1.1504 -19.22 0.54871 6.1497e+05 2024-05-18 11:58:50,444 INFO [main.py:798]
{rank 0/64} MD step = 351900 step time: 00:00:00.376755 Performance: 41.173 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 11:58:57,070 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351900 70380 60.504 -31881 6631.3 -38512 -38512 -1.153 -19.224 0.54743 6.1515e+05 2024-05-18 11:59:31,413 INFO [main.py:798]
{rank 0/64} MD step = 352000 step time: 00:00:00.348447 Performance: 41.174 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 11:59:44,877 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352000 70400 59.703 -31907 6543.5 -38451 -38451 -1.1547 -19.229 0.54561 6.1535e+05 2024-05-18 12:00:19,687 INFO [main.py:798]
{rank 0/64} MD step = 352100 step time: 00:00:00.360474 Performance: 41.172 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 12:00:23,628 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352100 70420 60.302 -31764 6609.2 -38373 -38373 -1.1566 -19.236 0.5458 6.1555e+05 2024-05-18 12:01:01,151 INFO [main.py:798]
{rank 0/64} MD step = 352200 step time: 00:00:00.380631 Performance: 41.172 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 12:01:07,472 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352200 70440 59.886 -31896 6563.5 -38459 -38459 -1.1568 -19.239 0.5449 6.1572e+05 2024-05-18 12:01:42,157 INFO [main.py:798]
{rank 0/64} MD step = 352300 step time: 00:00:00.349451 Performance: 41.172 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 12:01:48,828 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 59.388 -31840 6509 -38349 -38349 -1.1587 -19.244 0.54436 6.159e+05 2024-05-18 12:02:23,434 INFO [main.py:798]
{rank 0/64} MD step = 352400 step time: 00:00:00.348591 Performance: 41.172 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 12:02:29,411 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352400 70480 60.493 -31742 6630.1 -38372 -38372 -1.1546 -19.248 0.5419 6.1604e+05 2024-05-18 12:03:06,594 INFO [main.py:798]
{rank 0/64} MD step = 352500 step time: 00:00:00.375191 Performance: 41.172 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 12:03:12,097 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352500 70500 61.154 -31720 6702.6 -38422 -38422 -1.1526 -19.253 0.54014 6.1622e+05 2024-05-18 12:03:46,504 INFO [main.py:798]
{rank 0/64} MD step = 352600 step time: 00:00:00.354208 Performance: 41.173 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 12:03:53,952 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352600 70520 60.232 -31717 6601.5 -38319 -38319 -1.1499 -19.258 0.53938 6.1637e+05 2024-05-18 12:04:28,512 INFO [main.py:798]
{rank 0/64} MD step = 352700 step time: 00:00:00.354194 Performance: 41.173 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 12:04:33,357 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 60.389 -31735 6618.8 -38354 -38354 -1.1471 -19.261 0.53725 6.1655e+05 2024-05-18 12:05:12,218 INFO [main.py:798]
{rank 0/64} MD step = 352800 step time: 00:00:00.331707 Performance: 41.172 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 12:05:17,706 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 60.452 -31700 6625.6 -38326 -38326 -1.1454 -19.265 0.5378 6.1672e+05 2024-05-18 12:05:52,473 INFO [main.py:798]
{rank 0/64} MD step = 352900 step time: 00:00:00.350042 Performance: 41.173 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 12:05:57,992 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352900 70580 60.024 -31943 6578.7 -38522 -38522 -1.1427 -19.27 0.53778 6.1685e+05 2024-05-18 12:06:34,693 INFO [main.py:798]
{rank 0/64} MD step = 353000 step time: 00:00:00.372855 Performance: 41.173 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 12:06:41,911 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 353000 70600 59.795 -31705 6553.6 -38258 -38258 -1.1411 -19.274 0.53633 6.1704e+05 2024-05-18 12:07:18,602 INFO [main.py:798]
{rank 0/64} MD step = 353100 step time: 00:00:00.333463 Performance: 41.172 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 12:07:26,078 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 353100 70620 60.503 -31756 6631.2 -38388 -38388 -1.1402 -19.279 0.53597 6.1722e+05 2024-05-18 12:08:01,405 INFO [main.py:798]
{rank 0/64} MD step = 353200 step time: 00:00:00.331381 Performance: 41.172 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 12:08:08,124 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 60.056 -31837 6582.2 -38419 -38419 -1.1389 -19.282 0.53643 6.1737e+05 2024-05-18 12:08:42,821 INFO [main.py:798]
{rank 0/64} MD step = 353300 step time: 00:00:00.335105 Performance: 41.172 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 12:08:51,525 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 353300 70660 60.804 -31819 6664.2 -38483 -38483 -1.1356 -19.285 0.53574 6.1751e+05 2024-05-18 12:09:26,725 INFO [main.py:798]
{rank 0/64} MD step = 353400 step time: 00:00:00.342423 Performance: 41.171 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 12:09:35,062 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 60.037 -31849 6580.1 -38429 -38429 -1.1328 -19.29 0.53613 6.177e+05 2024-05-18 12:10:09,819 INFO [main.py:798]
{rank 0/64} MD step = 353500 step time: 00:00:00.369888 Performance: 41.171 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 12:10:17,081 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 353500 70700 60.352 -31906 6614.7 -38520 -38520 -1.1306 -19.295 0.53508 6.1785e+05 2024-05-18 12:10:53,627 INFO [main.py:798]
{rank 0/64} MD step = 353600 step time: 00:00:00.353446 Performance: 41.171 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 12:11:07,308 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 60.398 -31792 6619.7 -38412 -38412 -1.1284 -19.301 0.53374 6.1801e+05 2024-05-18 12:11:41,834 INFO [main.py:798]
{rank 0/64} MD step = 353700 step time: 00:00:00.349997 Performance: 41.169 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:11:47,709 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 353700 70740 59.075 -31827 6474.6 -38301 -38301 -1.1244 -19.307 0.53329 6.1817e+05 2024-05-18 12:12:22,144 INFO [main.py:798]
{rank 0/64} MD step = 353800 step time: 00:00:00.357853 Performance: 41.169 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:12:26,886 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 353800 70760 61.234 -31709 6711.3 -38420 -38420 -1.123 -19.311 0.53398 6.1835e+05 2024-05-18 12:13:02,876 INFO [main.py:798]
{rank 0/64} MD step = 353900 step time: 00:00:00.339454 Performance: 41.170 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 12:13:12,687 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 353900 70780 59.506 -31825 6521.9 -38347 -38347 -1.1213 -19.315 0.53485 6.1854e+05 2024-05-18 12:13:47,566 INFO [main.py:798]
{rank 0/64} MD step = 354000 step time: 00:00:00.343167 Performance: 41.169 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:13:55,986 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 60.51 -31805 6632 -38437 -38437 -1.1205 -19.32 0.5331 6.1869e+05 2024-05-18 12:14:30,323 INFO [main.py:798]
{rank 0/64} MD step = 354100 step time: 00:00:00.350353 Performance: 41.169 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:14:36,775 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354100 70820 60.405 -31807 6620.4 -38428 -38428 -1.1202 -19.325 0.53316 6.1886e+05 2024-05-18 12:15:11,544 INFO [main.py:798]
{rank 0/64} MD step = 354200 step time: 00:00:00.351590 Performance: 41.169 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:15:17,941 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 61.234 -31653 6711.3 -38364 -38364 -1.1199 -19.331 0.53447 6.1907e+05 2024-05-18 12:15:52,715 INFO [main.py:798]
{rank 0/64} MD step = 354300 step time: 00:00:00.370298 Performance: 41.169 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:15:58,395 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354300 70860 59.771 -31829 6550.9 -38380 -38380 -1.117 -19.336 0.53301 6.1923e+05 2024-05-18 12:16:33,130 INFO [main.py:798]
{rank 0/64} MD step = 354400 step time: 00:00:00.344605 Performance: 41.170 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:16:40,012 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 60.773 -31816 6660.8 -38476 -38476 -1.1156 -19.341 0.53239 6.1939e+05 2024-05-18 12:17:14,452 INFO [main.py:798]
{rank 0/64} MD step = 354500 step time: 00:00:00.347717 Performance: 41.170 ns/day 0.583 hours/ns 2.383 steps/s 2024-05-18 12:17:31,371 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354500 70900 60.602 -31808 6642.1 -38450 -38450 -1.1153 -19.346 0.5322 6.1959e+05 2024-05-18 12:18:06,681 INFO [main.py:798]
{rank 0/64} MD step = 354600 step time: 00:00:00.372211 Performance: 41.167 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:18:15,251 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354600 70920 60.767 -31777 6660.2 -38438 -38438 -1.1156 -19.351 0.5308 6.1977e+05 2024-05-18 12:18:51,005 INFO [main.py:798]
{rank 0/64} MD step = 354700 step time: 00:00:00.328923 Performance: 41.166 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:19:16,770 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 60.968 -31792 6682.2 -38474 -38474 -1.1138 -19.355 0.52925 6.1994e+05 2024-05-18 12:19:52,027 INFO [main.py:798]
{rank 0/64} MD step = 354800 step time: 00:00:00.339523 Performance: 41.161 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:19:58,569 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354800 70960 60.458 -31824 6626.3 -38450 -38450 -1.1117 -19.361 0.52816 6.2009e+05 2024-05-18 12:20:33,140 INFO [main.py:798]
{rank 0/64} MD step = 354900 step time: 00:00:00.356888 Performance: 41.161 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:20:40,446 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 59.527 -31906 6524.2 -38430 -38430 -1.1092 -19.366 0.52841 6.2029e+05 2024-05-18 12:21:15,285 INFO [main.py:798]
{rank 0/64} MD step = 355000 step time: 00:00:00.372751 Performance: 41.161 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:21:20,944 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 61.09 -31695 6695.5 -38391 -38391 -1.1068 -19.369 0.52792 6.2044e+05 2024-05-18 12:21:56,424 INFO [main.py:798]
{rank 0/64} MD step = 355100 step time: 00:00:00.347782 Performance: 41.161 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:22:03,996 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 60.518 -31750 6632.8 -38383 -38383 -1.1059 -19.373 0.52832 6.2063e+05 2024-05-18 12:22:38,121 INFO [main.py:798]
{rank 0/64} MD step = 355200 step time: 00:00:00.346906 Performance: 41.161 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:22:43,136 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 355200 71040 59.748 -31819 6548.5 -38367 -38367 -1.1054 -19.376 0.5275 6.2078e+05 2024-05-18 12:23:19,541 INFO [main.py:798]
{rank 0/64} MD step = 355300 step time: 00:00:00.330992 Performance: 41.162 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:23:36,960 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 59.149 -31816 6482.8 -38299 -38299 -1.1041 -19.38 0.52725 6.2096e+05 2024-05-18 12:24:11,557 INFO [main.py:798]
{rank 0/64} MD step = 355400 step time: 00:00:00.342018 Performance: 41.159 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:24:17,742 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 59.282 -31934 6497.4 -38432 -38432 -1.1015 -19.385 0.52803 6.2112e+05 2024-05-18 12:24:54,008 INFO [main.py:798]
{rank 0/64} MD step = 355500 step time: 00:00:00.327949 Performance: 41.159 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:24:59,520 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 60.059 -31770 6582.5 -38353 -38353 -1.0995 -19.39 0.52685 6.2129e+05 2024-05-18 12:25:35,088 INFO [main.py:798]
{rank 0/64} MD step = 355600 step time: 00:00:00.329807 Performance: 41.159 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:25:43,819 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 59.215 -31927 6490.1 -38417 -38417 -1.1014 -19.395 0.52592 6.2147e+05 2024-05-18 12:26:18,285 INFO [main.py:798]
{rank 0/64} MD step = 355700 step time: 00:00:00.356643 Performance: 41.159 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:26:31,577 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 355700 71140 59.36 -32035 6506 -38541 -38541 -1.1015 -19.398 0.52595 6.2163e+05 2024-05-18 12:27:05,829 INFO [main.py:798]
{rank 0/64} MD step = 355800 step time: 00:00:00.363014 Performance: 41.157 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:27:12,405 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 355800 71160 60.468 -31863 6627.3 -38491 -38491 -1.099 -19.402 0.52666 6.218e+05 2024-05-18 12:27:46,755 INFO [main.py:798]
{rank 0/64} MD step = 355900 step time: 00:00:00.372979 Performance: 41.157 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:27:54,264 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 355900 71180 59.705 -31856 6543.8 -38400 -38400 -1.0978 -19.407 0.52616 6.2197e+05 2024-05-18 12:28:30,562 INFO [main.py:798]
{rank 0/64} MD step = 356000 step time: 00:00:00.350806 Performance: 41.157 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:28:36,763 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 60.083 -31852 6585.2 -38437 -38437 -1.0983 -19.413 0.52468 6.2215e+05 2024-05-18 12:29:13,301 INFO [main.py:798]
{rank 0/64} MD step = 356100 step time: 00:00:00.355792 Performance: 41.157 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:29:21,423 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 59.572 -32041 6529.1 -38570 -38570 -1.098 -19.419 0.52413 6.2229e+05 2024-05-18 12:29:56,007 INFO [main.py:798]
{rank 0/64} MD step = 356200 step time: 00:00:00.349345 Performance: 41.156 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:30:02,872 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 356200 71240 59.952 -31778 6570.8 -38349 -38349 -1.0997 -19.424 0.52256 6.2253e+05 2024-05-18 12:30:38,276 INFO [main.py:798]
{rank 0/64} MD step = 356300 step time: 00:00:00.373277 Performance: 41.156 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:30:44,938 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 58.892 -32052 6454.7 -38506 -38506 -1.1004 -19.428 0.52231 6.2267e+05 2024-05-18 12:31:20,367 INFO [main.py:798]
{rank 0/64} MD step = 356400 step time: 00:00:00.356439 Performance: 41.156 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:31:26,814 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 58.662 -32010 6429.4 -38439 -38439 -1.101 -19.432 0.52056 6.2283e+05 2024-05-18 12:32:01,755 INFO [main.py:798]
{rank 0/64} MD step = 356500 step time: 00:00:00.347936 Performance: 41.157 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:32:07,826 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 356500 71300 60.07 -31908 6583.8 -38492 -38492 -1.0999 -19.44 0.51791 6.2303e+05 2024-05-18 12:32:42,098 INFO [main.py:798]
{rank 0/64} MD step = 356600 step time: 00:00:00.339367 Performance: 41.157 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:32:47,676 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 59.662 -31947 6539.1 -38486 -38486 -1.0999 -19.444 0.5169 6.2318e+05 2024-05-18 12:33:22,244 INFO [main.py:798]
{rank 0/64} MD step = 356700 step time: 00:00:00.354660 Performance: 41.158 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:33:27,868 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 356700 71340 60.061 -31855 6582.7 -38438 -38438 -1.0983 -19.45 0.51723 6.2335e+05 2024-05-18 12:34:02,495 INFO [main.py:798]
{rank 0/64} MD step = 356800 step time: 00:00:00.340264 Performance: 41.158 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:34:08,792 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 356800 71360 60.648 -31914 6647.1 -38561 -38561 -1.096 -19.456 0.51659 6.2349e+05 2024-05-18 12:34:45,216 INFO [main.py:798]
{rank 0/64} MD step = 356900 step time: 00:00:00.381504 Performance: 41.158 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:34:52,483 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 356900 71380 59.512 -31996 6522.5 -38519 -38519 -1.0937 -19.463 0.51496 6.2368e+05 2024-05-18 12:35:27,747 INFO [main.py:798]
{rank 0/64} MD step = 357000 step time: 00:00:00.372992 Performance: 41.158 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:35:33,199 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 357000 71400 59.702 -31901 6543.4 -38444 -38444 -1.0935 -19.467 0.51435 6.2388e+05 2024-05-18 12:36:07,880 INFO [main.py:798]
{rank 0/64} MD step = 357100 step time: 00:00:00.352111 Performance: 41.158 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:36:14,029 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 60.013 -31971 6577.5 -38549 -38549 -1.0923 -19.472 0.51423 6.2398e+05 2024-05-18 12:36:49,067 INFO [main.py:798]
{rank 0/64} MD step = 357200 step time: 00:00:00.346309 Performance: 41.158 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:36:54,217 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 60.441 -31904 6624.4 -38528 -38528 -1.0924 -19.477 0.51351 6.2415e+05 2024-05-18 12:37:28,903 INFO [main.py:798]
{rank 0/64} MD step = 357300 step time: 00:00:00.350375 Performance: 41.159 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:37:33,944 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 59.776 -31907 6551.5 -38458 -38458 -1.0903 -19.483 0.51355 6.2436e+05 2024-05-18 12:38:08,641 INFO [main.py:798]
{rank 0/64} MD step = 357400 step time: 00:00:00.339565 Performance: 41.160 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:38:14,538 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 61.539 -31815 6744.8 -38559 -38559 -1.0891 -19.488 0.51226 6.2451e+05 2024-05-18 12:38:49,296 INFO [main.py:798]
{rank 0/64} MD step = 357500 step time: 00:00:00.374089 Performance: 41.160 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:38:55,284 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 357500 71500 60.477 -31765 6628.4 -38394 -38394 -1.0897 -19.493 0.51212 6.247e+05 2024-05-18 12:39:30,024 INFO [main.py:798]
{rank 0/64} MD step = 357600 step time: 00:00:00.348836 Performance: 41.160 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:39:38,947 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 60.706 -31802 6653.4 -38455 -38455 -1.0886 -19.498 0.5106 6.2487e+05 2024-05-18 12:40:16,273 INFO [main.py:798]
{rank 0/64} MD step = 357700 step time: 00:00:00.377836 Performance: 41.159 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:40:22,302 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 357700 71540 58.887 -31865 6454.1 -38319 -38319 -1.088 -19.503 0.51062 6.2506e+05 2024-05-18 12:40:58,983 INFO [main.py:798]
{rank 0/64} MD step = 357800 step time: 00:00:00.326466 Performance: 41.159 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:41:14,897 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 59.734 -31822 6546.9 -38368 -38368 -1.0882 -19.508 0.5094 6.2524e+05 2024-05-18 12:41:49,524 INFO [main.py:798]
{rank 0/64} MD step = 357900 step time: 00:00:00.342458 Performance: 41.157 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:41:57,809 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 357900 71580 59.704 -31863 6543.6 -38407 -38407 -1.0893 -19.513 0.50744 6.254e+05 2024-05-18 12:42:32,695 INFO [main.py:798]
{rank 0/64} MD step = 358000 step time: 00:00:00.339982 Performance: 41.156 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:42:40,349 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 59.946 -32024 6570.2 -38594 -38594 -1.0907 -19.519 0.50831 6.2557e+05 2024-05-18 12:43:14,749 INFO [main.py:798]
{rank 0/64} MD step = 358100 step time: 00:00:00.347938 Performance: 41.156 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:43:23,973 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 358100 71620 60.412 -31753 6621.3 -38374 -38374 -1.0916 -19.524 0.5073 6.2579e+05 2024-05-18 12:43:58,598 INFO [main.py:798]
{rank 0/64} MD step = 358200 step time: 00:00:00.351866 Performance: 41.156 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:44:09,872 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 60.166 -31873 6594.2 -38467 -38467 -1.0921 -19.528 0.50713 6.2591e+05 2024-05-18 12:44:44,545 INFO [main.py:798]
{rank 0/64} MD step = 358300 step time: 00:00:00.340745 Performance: 41.155 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:44:51,562 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 358300 71660 59.96 -31846 6571.7 -38418 -38418 -1.0927 -19.533 0.50742 6.261e+05 2024-05-18 12:45:26,565 INFO [main.py:798]
{rank 0/64} MD step = 358400 step time: 00:00:00.356916 Performance: 41.155 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:45:34,673 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 358400 71680 60.585 -31841 6640.2 -38482 -38482 -1.0933 -19.539 0.50635 6.263e+05 2024-05-18 12:46:09,328 INFO [main.py:798]
{rank 0/64} MD step = 358500 step time: 00:00:00.352395 Performance: 41.154 ns/day 0.583 hours/ns 2.382 steps/s 2024-05-18 12:46:24,094 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 358500 71700 60.044 -31578 6580.9 -38158 -38158 -1.09 -19.543 0.50553 6.2649e+05 2024-05-18 12:46:59,257 INFO [main.py:798]
{rank 0/64} MD step = 358600 step time: 00:00:00.357958 Performance: 41.152 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 12:47:25,932 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 60.873 -31742 6671.7 -38413 -38413 -1.0875 -19.549 0.50496 6.2662e+05 2024-05-18 12:48:00,312 INFO [main.py:798]
{rank 0/64} MD step = 358700 step time: 00:00:00.346562 Performance: 41.147 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 12:48:06,711 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 59.38 -31921 6508.1 -38429 -38429 -1.0858 -19.554 0.50382 6.268e+05 2024-05-18 12:48:42,310 INFO [main.py:798]
{rank 0/64} MD step = 358800 step time: 00:00:00.353631 Performance: 41.147 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 12:48:47,724 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 59.006 -32017 6467.1 -38484 -38484 -1.083 -19.56 0.5046 6.2698e+05 2024-05-18 12:49:22,078 INFO [main.py:798]
{rank 0/64} MD step = 358900 step time: 00:00:00.357362 Performance: 41.148 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 12:49:33,013 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 60.398 -31789 6619.7 -38409 -38409 -1.0807 -19.564 0.50345 6.2715e+05 2024-05-18 12:50:07,565 INFO [main.py:798]
{rank 0/64} MD step = 359000 step time: 00:00:00.340039 Performance: 41.147 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 12:50:14,518 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359000 71800 59.96 -31804 6571.7 -38375 -38375 -1.0806 -19.567 0.50344 6.2735e+05 2024-05-18 12:50:49,121 INFO [main.py:798]
{rank 0/64} MD step = 359100 step time: 00:00:00.357915 Performance: 41.147 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 12:50:55,402 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359100 71820 60.493 -31654 6630.1 -38284 -38284 -1.0817 -19.57 0.50298 6.2754e+05 2024-05-18 12:51:30,336 INFO [main.py:798]
{rank 0/64} MD step = 359200 step time: 00:00:00.346250 Performance: 41.147 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 12:51:34,948 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 60.125 -31872 6589.8 -38462 -38462 -1.0831 -19.574 0.5033 6.2769e+05 2024-05-18 12:52:11,780 INFO [main.py:798]
{rank 0/64} MD step = 359300 step time: 00:00:00.346862 Performance: 41.147 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 12:52:18,463 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 59.931 -31889 6568.6 -38458 -38458 -1.0847 -19.579 0.50216 6.2789e+05 2024-05-18 12:52:53,606 INFO [main.py:798]
{rank 0/64} MD step = 359400 step time: 00:00:00.339148 Performance: 41.147 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 12:52:59,676 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359400 71880 60.001 -31836 6576.1 -38413 -38413 -1.0863 -19.581 0.50046 6.2808e+05 2024-05-18 12:53:34,902 INFO [main.py:798]
{rank 0/64} MD step = 359500 step time: 00:00:00.344072 Performance: 41.147 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 12:53:41,700 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359500 71900 60.478 -31655 6628.4 -38283 -38283 -1.0868 -19.585 0.49976 6.2826e+05 2024-05-18 12:54:16,596 INFO [main.py:798]
{rank 0/64} MD step = 359600 step time: 00:00:00.350883 Performance: 41.147 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 12:54:24,390 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359600 71920 60.282 -31749 6607 -38356 -38356 -1.0861 -19.589 0.49995 6.284e+05 2024-05-18 12:54:58,856 INFO [main.py:798]
{rank 0/64} MD step = 359700 step time: 00:00:00.350620 Performance: 41.147 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 12:55:04,835 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359700 71940 59.619 -31830 6534.3 -38365 -38365 -1.0842 -19.596 0.49959 6.2859e+05 2024-05-18 12:55:41,483 INFO [main.py:798]
{rank 0/64} MD step = 359800 step time: 00:00:00.373192 Performance: 41.147 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 12:55:46,939 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359800 71960 60.011 -31819 6577.2 -38397 -38397 -1.083 -19.601 0.49861 6.2876e+05 2024-05-18 12:56:21,361 INFO [main.py:798]
{rank 0/64} MD step = 359900 step time: 00:00:00.347592 Performance: 41.148 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 12:56:28,263 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359900 71980 60.25 -31871 6603.5 -38475 -38475 -1.0802 -19.604 0.49749 6.2892e+05 2024-05-18 12:57:02,981 INFO [main.py:798]
{rank 0/64} MD step = 360000 step time: 00:00:00.351693 Performance: 41.148 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 12:57:09,600 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360000 72000 60.46 -31777 6626.5 -38403 -38403 -1.0762 -19.61 0.49706 6.291e+05 2024-05-18 12:57:44,767 INFO [main.py:798]
{rank 0/64} MD step = 360100 step time: 00:00:00.356857 Performance: 41.148 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 12:57:51,443 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360100 72020 59.739 -31883 6547.4 -38430 -38430 -1.0747 -19.614 0.49671 6.2926e+05 2024-05-18 12:58:27,906 INFO [main.py:798]
{rank 0/64} MD step = 360200 step time: 00:00:00.373495 Performance: 41.148 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 12:58:33,823 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360200 72040 60.371 -31744 6616.8 -38360 -38360 -1.0739 -19.618 0.49506 6.2946e+05 2024-05-18 12:59:08,640 INFO [main.py:798]
{rank 0/64} MD step = 360300 step time: 00:00:00.329999 Performance: 41.148 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 12:59:15,565 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 58.817 -31960 6446.4 -38406 -38406 -1.0719 -19.621 0.49405 6.296e+05 2024-05-18 12:59:51,603 INFO [main.py:798]
{rank 0/64} MD step = 360400 step time: 00:00:00.329639 Performance: 41.148 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 12:59:59,056 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360400 72080 60.952 -31835 6680.5 -38516 -38516 -1.0712 -19.626 0.49418 6.2976e+05 2024-05-18 13:00:33,854 INFO [main.py:798]
{rank 0/64} MD step = 360500 step time: 00:00:00.354217 Performance: 41.148 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:00:38,356 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360500 72100 59.974 -31844 6573.2 -38417 -38417 -1.0682 -19.631 0.49331 6.2994e+05 2024-05-18 13:01:13,945 INFO [main.py:798]
{rank 0/64} MD step = 360600 step time: 00:00:00.350901 Performance: 41.148 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:01:20,239 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360600 72120 60.457 -31773 6626.2 -38399 -38399 -1.0654 -19.634 0.49313 6.3012e+05 2024-05-18 13:01:54,736 INFO [main.py:798]
{rank 0/64} MD step = 360700 step time: 00:00:00.345810 Performance: 41.149 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:02:00,435 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360700 72140 59.957 -31843 6571.3 -38414 -38414 -1.0629 -19.638 0.49279 6.3027e+05 2024-05-18 13:02:35,274 INFO [main.py:798]
{rank 0/64} MD step = 360800 step time: 00:00:00.328227 Performance: 41.149 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:02:42,780 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360800 72160 59.561 -31851 6527.9 -38378 -38378 -1.0629 -19.643 0.49283 6.3047e+05 2024-05-18 13:03:19,360 INFO [main.py:798]
{rank 0/64} MD step = 360900 step time: 00:00:00.350704 Performance: 41.148 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:03:27,963 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360900 72180 59.942 -31941 6569.7 -38510 -38510 -1.0642 -19.648 0.49141 6.3063e+05 2024-05-18 13:04:03,137 INFO [main.py:798]
{rank 0/64} MD step = 361000 step time: 00:00:00.368206 Performance: 41.148 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:04:09,417 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 361000 72200 60.109 -31755 6588.1 -38343 -38343 -1.0658 -19.653 0.49176 6.308e+05 2024-05-18 13:04:44,070 INFO [main.py:798]
{rank 0/64} MD step = 361100 step time: 00:00:00.336195 Performance: 41.148 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:04:49,762 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 59.71 -31817 6544.2 -38361 -38361 -1.0657 -19.658 0.4917 6.3099e+05 2024-05-18 13:05:24,776 INFO [main.py:798]
{rank 0/64} MD step = 361200 step time: 00:00:00.374227 Performance: 41.148 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:05:31,495 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 361200 72240 59.99 -31730 6574.9 -38304 -38304 -1.0641 -19.664 0.49108 6.3114e+05 2024-05-18 13:06:06,093 INFO [main.py:798]
{rank 0/64} MD step = 361300 step time: 00:00:00.353049 Performance: 41.149 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:06:12,616 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 361300 72260 60.167 -31772 6594.4 -38367 -38367 -1.061 -19.667 0.49051 6.3133e+05 2024-05-18 13:06:47,207 INFO [main.py:798]
{rank 0/64} MD step = 361400 step time: 00:00:00.357350 Performance: 41.149 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:06:55,302 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 59.692 -32001 6542.4 -38543 -38543 -1.0607 -19.67 0.49005 6.3147e+05 2024-05-18 13:07:30,356 INFO [main.py:798]
{rank 0/64} MD step = 361500 step time: 00:00:00.349073 Performance: 41.149 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:07:37,833 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 60.027 -31835 6579 -38414 -38414 -1.0599 -19.676 0.48902 6.3166e+05 2024-05-18 13:08:13,602 INFO [main.py:798]
{rank 0/64} MD step = 361600 step time: 00:00:00.351526 Performance: 41.148 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:08:19,298 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 361600 72320 60.133 -31847 6590.6 -38437 -38437 -1.059 -19.68 0.48944 6.3185e+05 2024-05-18 13:08:53,882 INFO [main.py:798]
{rank 0/64} MD step = 361700 step time: 00:00:00.360594 Performance: 41.149 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:08:59,882 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 59.72 -31842 6545.4 -38387 -38387 -1.0585 -19.685 0.48758 6.3203e+05 2024-05-18 13:09:35,263 INFO [main.py:798]
{rank 0/64} MD step = 361800 step time: 00:00:00.379114 Performance: 41.149 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:09:41,754 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 60.851 -31745 6669.3 -38414 -38414 -1.0586 -19.689 0.48767 6.3221e+05 2024-05-18 13:10:15,997 INFO [main.py:798]
{rank 0/64} MD step = 361900 step time: 00:00:00.340402 Performance: 41.149 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:10:23,279 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 361900 72380 60.312 -31864 6610.2 -38474 -38474 -1.0571 -19.693 0.48662 6.3238e+05 2024-05-18 13:10:57,779 INFO [main.py:798]
{rank 0/64} MD step = 362000 step time: 00:00:00.343205 Performance: 41.149 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:11:14,107 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 59.642 -31849 6536.9 -38386 -38386 -1.0575 -19.697 0.48694 6.3255e+05 2024-05-18 13:11:49,184 INFO [main.py:798]
{rank 0/64} MD step = 362100 step time: 00:00:00.341919 Performance: 41.147 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:12:02,001 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 61.105 -31702 6697.2 -38399 -38399 -1.0565 -19.703 0.4848 6.3272e+05 2024-05-18 13:12:36,597 INFO [main.py:798]
{rank 0/64} MD step = 362200 step time: 00:00:00.361804 Performance: 41.145 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:12:43,372 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 362200 72440 59.703 -31810 6543.5 -38353 -38353 -1.0547 -19.707 0.48267 6.329e+05 2024-05-18 13:13:19,922 INFO [main.py:798]
{rank 0/64} MD step = 362300 step time: 00:00:00.379437 Performance: 41.145 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:13:29,750 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 61.065 -31830 6692.8 -38523 -38523 -1.0553 -19.711 0.48243 6.3304e+05 2024-05-18 13:14:04,856 INFO [main.py:798]
{rank 0/64} MD step = 362400 step time: 00:00:00.348376 Performance: 41.144 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:14:11,315 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 59.907 -31810 6565.9 -38376 -38376 -1.0536 -19.716 0.48067 6.3325e+05 2024-05-18 13:14:45,176 INFO [main.py:798]
{rank 0/64} MD step = 362500 step time: 00:00:00.340868 Performance: 41.145 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:14:52,239 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 59.967 -31869 6572.5 -38441 -38441 -1.0512 -19.719 0.47991 6.3337e+05 2024-05-18 13:15:26,454 INFO [main.py:798]
{rank 0/64} MD step = 362600 step time: 00:00:00.347781 Performance: 41.145 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:15:32,323 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 60.512 -31858 6632.2 -38490 -38490 -1.0505 -19.722 0.47913 6.3355e+05 2024-05-18 13:16:09,808 INFO [main.py:798]
{rank 0/64} MD step = 362700 step time: 00:00:00.371935 Performance: 41.144 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:16:18,339 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 59.774 -31775 6551.3 -38327 -38327 -1.0482 -19.728 0.47875 6.3374e+05 2024-05-18 13:16:52,999 INFO [main.py:798]
{rank 0/64} MD step = 362800 step time: 00:00:00.360591 Performance: 41.144 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:17:00,571 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 60.089 -31815 6585.9 -38401 -38401 -1.0442 -19.733 0.47738 6.3388e+05 2024-05-18 13:17:36,088 INFO [main.py:798]
{rank 0/64} MD step = 362900 step time: 00:00:00.358272 Performance: 41.144 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:17:48,103 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 362900 72580 59.752 -31791 6548.9 -38340 -38340 -1.0427 -19.737 0.47487 6.341e+05 2024-05-18 13:18:22,568 INFO [main.py:798]
{rank 0/64} MD step = 363000 step time: 00:00:00.353132 Performance: 41.143 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:18:31,626 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 59.228 -32088 6491.5 -38579 -38579 -1.043 -19.74 0.47366 6.3421e+05 2024-05-18 13:19:06,370 INFO [main.py:798]
{rank 0/64} MD step = 363100 step time: 00:00:00.348112 Performance: 41.142 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:19:12,633 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 59.651 -32042 6537.8 -38580 -38580 -1.0417 -19.746 0.47405 6.3439e+05 2024-05-18 13:19:48,102 INFO [main.py:798]
{rank 0/64} MD step = 363200 step time: 00:00:00.351944 Performance: 41.142 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:19:54,185 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 363200 72640 59.812 -31919 6555.5 -38474 -38474 -1.0411 -19.75 0.47275 6.3458e+05 2024-05-18 13:20:29,935 INFO [main.py:798]
{rank 0/64} MD step = 363300 step time: 00:00:00.370032 Performance: 41.142 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:20:36,082 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 363300 72660 60.846 -31736 6668.8 -38404 -38404 -1.0403 -19.755 0.47267 6.3478e+05 2024-05-18 13:21:12,104 INFO [main.py:798]
{rank 0/64} MD step = 363400 step time: 00:00:00.375435 Performance: 41.142 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:21:17,787 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 363400 72680 59.523 -31981 6523.8 -38505 -38505 -1.0403 -19.76 0.47156 6.3492e+05 2024-05-18 13:21:52,798 INFO [main.py:798]
{rank 0/64} MD step = 363500 step time: 00:00:00.338377 Performance: 41.143 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:21:57,772 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 60.338 -31838 6613.1 -38451 -38451 -1.0385 -19.764 0.47033 6.3513e+05 2024-05-18 13:22:33,004 INFO [main.py:798]
{rank 0/64} MD step = 363600 step time: 00:00:00.342442 Performance: 41.143 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:22:38,677 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 363600 72720 60.492 -31843 6630 -38473 -38473 -1.0349 -19.768 0.46861 6.3531e+05 2024-05-18 13:23:14,208 INFO [main.py:798]
{rank 0/64} MD step = 363700 step time: 00:00:00.356934 Performance: 41.143 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:23:21,590 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 60.802 -31861 6664 -38525 -38525 -1.0333 -19.772 0.46734 6.3549e+05 2024-05-18 13:23:56,601 INFO [main.py:798]
{rank 0/64} MD step = 363800 step time: 00:00:00.364530 Performance: 41.143 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:24:01,569 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 59.858 -31931 6560.5 -38492 -38492 -1.0317 -19.776 0.46784 6.3566e+05 2024-05-18 13:24:36,028 INFO [main.py:798]
{rank 0/64} MD step = 363900 step time: 00:00:00.347147 Performance: 41.144 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:24:42,146 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 363900 72780 60.334 -31889 6612.6 -38502 -38502 -1.0308 -19.78 0.4669 6.3581e+05 2024-05-18 13:25:18,087 INFO [main.py:798]
{rank 0/64} MD step = 364000 step time: 00:00:00.360291 Performance: 41.144 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:25:22,327 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364000 72800 60.308 -31983 6609.8 -38593 -38593 -1.0302 -19.784 0.46727 6.3597e+05 2024-05-18 13:25:58,596 INFO [main.py:798]
{rank 0/64} MD step = 364100 step time: 00:00:00.351087 Performance: 41.144 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:26:06,889 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364100 72820 59.335 -31859 6503.2 -38362 -38362 -1.0298 -19.788 0.46667 6.362e+05 2024-05-18 13:26:41,643 INFO [main.py:798]
{rank 0/64} MD step = 364200 step time: 00:00:00.356980 Performance: 41.144 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:26:48,954 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364200 72840 59.886 -31868 6563.6 -38431 -38431 -1.0306 -19.793 0.46578 6.3635e+05 2024-05-18 13:27:24,115 INFO [main.py:798]
{rank 0/64} MD step = 364300 step time: 00:00:00.347180 Performance: 41.144 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:27:32,902 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 58.904 -31948 6455.9 -38404 -38404 -1.0287 -19.798 0.46646 6.3653e+05 2024-05-18 13:28:07,203 INFO [main.py:798]
{rank 0/64} MD step = 364400 step time: 00:00:00.342153 Performance: 41.143 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:28:12,712 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 60.051 -31890 6581.7 -38472 -38472 -1.0309 -19.802 0.46579 6.367e+05 2024-05-18 13:28:48,260 INFO [main.py:798]
{rank 0/64} MD step = 364500 step time: 00:00:00.369199 Performance: 41.144 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:28:54,153 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364500 72900 60.324 -31891 6611.6 -38502 -38502 -1.0299 -19.804 0.46847 6.3687e+05 2024-05-18 13:29:29,004 INFO [main.py:798]
{rank 0/64} MD step = 364600 step time: 00:00:00.369288 Performance: 41.144 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:29:40,292 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364600 72920 59.527 -32022 6524.3 -38546 -38546 -1.0293 -19.81 0.4666 6.3704e+05 2024-05-18 13:30:15,393 INFO [main.py:798]
{rank 0/64} MD step = 364700 step time: 00:00:00.370597 Performance: 41.143 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:30:28,847 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364700 72940 59.898 -31914 6564.9 -38479 -38479 -1.0294 -19.815 0.46478 6.3721e+05 2024-05-18 13:31:03,951 INFO [main.py:798]
{rank 0/64} MD step = 364800 step time: 00:00:00.345333 Performance: 41.141 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:31:13,557 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364800 72960 60.612 -31813 6643.2 -38457 -38457 -1.0295 -19.819 0.46267 6.3741e+05 2024-05-18 13:31:46,841 INFO [main.py:798]
{rank 0/64} MD step = 364900 step time: 00:00:00.340702 Performance: 41.141 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:31:52,804 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364900 72980 59.683 -31901 6541.3 -38442 -38442 -1.0275 -19.823 0.46317 6.3761e+05 2024-05-18 13:32:29,235 INFO [main.py:798]
{rank 0/64} MD step = 365000 step time: 00:00:00.365701 Performance: 41.141 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:32:36,951 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 365000 73000 60.89 -31692 6673.6 -38365 -38365 -1.029 -19.827 0.46245 6.3781e+05 2024-05-18 13:33:10,899 INFO [main.py:798]
{rank 0/64} MD step = 365100 step time: 00:00:00.352735 Performance: 41.141 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:33:17,174 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 365100 73020 59.465 -32094 6517.4 -38611 -38611 -1.0301 -19.831 0.46119 6.3796e+05 2024-05-18 13:33:52,722 INFO [main.py:798]
{rank 0/64} MD step = 365200 step time: 00:00:00.357965 Performance: 41.141 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:34:10,921 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 60.114 -32072 6588.5 -38661 -38661 -1.0299 -19.836 0.46063 6.3813e+05 2024-05-18 13:34:45,303 INFO [main.py:798]
{rank 0/64} MD step = 365300 step time: 00:00:00.347002 Performance: 41.138 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:34:53,991 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 365300 73060 60.122 -31819 6589.4 -38408 -38408 -1.0301 -19.841 0.45995 6.3834e+05 2024-05-18 13:35:28,885 INFO [main.py:798]
{rank 0/64} MD step = 365400 step time: 00:00:00.389032 Performance: 41.138 ns/day 0.583 hours/ns 2.381 steps/s 2024-05-18 13:36:07,438 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 59.094 -31867 6476.8 -38344 -38344 -1.0298 -19.844 0.46004 6.385e+05 2024-05-18 13:36:42,057 INFO [main.py:798]
{rank 0/64} MD step = 365500 step time: 00:00:00.353821 Performance: 41.129 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 13:36:50,341 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 365500 73100 60.204 -31697 6598.4 -38295 -38295 -1.0307 -19.849 0.4589 6.3868e+05 2024-05-18 13:37:24,722 INFO [main.py:798]
{rank 0/64} MD step = 365600 step time: 00:00:00.346987 Performance: 41.129 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 13:37:30,827 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 60.143 -31885 6591.8 -38477 -38477 -1.0317 -19.853 0.46055 6.3884e+05 2024-05-18 13:38:06,554 INFO [main.py:798]
{rank 0/64} MD step = 365700 step time: 00:00:00.389262 Performance: 41.129 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 13:38:11,907 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 60.252 -31804 6603.7 -38407 -38407 -1.0317 -19.858 0.46144 6.3904e+05 2024-05-18 13:38:47,922 INFO [main.py:798]
{rank 0/64} MD step = 365800 step time: 00:00:00.350716 Performance: 41.129 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 13:38:55,612 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 365800 73160 59.984 -32057 6574.3 -38631 -38631 -1.0315 -19.863 0.46193 6.3914e+05 2024-05-18 13:39:31,899 INFO [main.py:798]
{rank 0/64} MD step = 365900 step time: 00:00:00.373646 Performance: 41.129 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 13:39:37,654 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 60.075 -31766 6584.3 -38350 -38350 -1.0315 -19.866 0.46098 6.3938e+05 2024-05-18 13:40:13,845 INFO [main.py:798]
{rank 0/64} MD step = 366000 step time: 00:00:00.371741 Performance: 41.129 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 13:40:20,270 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 60.642 -31665 6646.4 -38312 -38312 -1.0288 -19.871 0.45951 6.3955e+05 2024-05-18 13:40:55,836 INFO [main.py:798]
{rank 0/64} MD step = 366100 step time: 00:00:00.380464 Performance: 41.129 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 13:41:01,132 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 366100 73220 60.347 -31766 6614.1 -38380 -38380 -1.0274 -19.875 0.45778 6.397e+05 2024-05-18 13:41:37,382 INFO [main.py:798]
{rank 0/64} MD step = 366200 step time: 00:00:00.351050 Performance: 41.129 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 13:41:44,319 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 60.124 -31817 6589.7 -38407 -38407 -1.0276 -19.88 0.45841 6.3991e+05 2024-05-18 13:42:18,694 INFO [main.py:798]
{rank 0/64} MD step = 366300 step time: 00:00:00.355019 Performance: 41.129 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 13:42:27,039 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 59.947 -31852 6570.3 -38423 -38423 -1.0269 -19.886 0.45785 6.4006e+05 2024-05-18 13:43:02,368 INFO [main.py:798]
{rank 0/64} MD step = 366400 step time: 00:00:00.355335 Performance: 41.129 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 13:43:08,433 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 366400 73280 59.057 -31925 6472.8 -38397 -38397 -1.0273 -19.892 0.45793 6.4029e+05 2024-05-18 13:43:42,928 INFO [main.py:798]
{rank 0/64} MD step = 366500 step time: 00:00:00.353670 Performance: 41.129 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 13:43:48,744 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 366500 73300 59.951 -31832 6570.7 -38403 -38403 -1.0257 -19.896 0.45738 6.4044e+05 2024-05-18 13:44:23,283 INFO [main.py:798]
{rank 0/64} MD step = 366600 step time: 00:00:00.338086 Performance: 41.130 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 13:44:29,814 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 366600 73320 60.314 -31789 6610.5 -38399 -38399 -1.0262 -19.9 0.45774 6.4063e+05 2024-05-18 13:45:04,096 INFO [main.py:798]
{rank 0/64} MD step = 366700 step time: 00:00:00.337493 Performance: 41.130 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 13:45:09,508 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 366700 73340 59.679 -31959 6540.9 -38500 -38500 -1.0264 -19.907 0.45726 6.4081e+05 2024-05-18 13:45:44,133 INFO [main.py:798]
{rank 0/64} MD step = 366800 step time: 00:00:00.351876 Performance: 41.130 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 13:45:52,593 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 60.09 -31816 6585.9 -38402 -38402 -1.0273 -19.912 0.45702 6.4095e+05 2024-05-18 13:46:27,489 INFO [main.py:798]
{rank 0/64} MD step = 366900 step time: 00:00:00.378428 Performance: 41.130 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 13:46:38,059 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 366900 73380 60.761 -31813 6659.5 -38472 -38472 -1.0269 -19.917 0.45607 6.4111e+05 2024-05-18 13:47:12,809 INFO [main.py:798]
{rank 0/64} MD step = 367000 step time: 00:00:00.332162 Performance: 41.129 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 13:47:33,295 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367000 73400 59.745 -31888 6548.2 -38436 -38436 -1.0269 -19.921 0.45584 6.4129e+05 2024-05-18 13:48:07,664 INFO [main.py:798]
{rank 0/64} MD step = 367100 step time: 00:00:00.342039 Performance: 41.126 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 13:48:15,845 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367100 73420 59.759 -31853 6549.6 -38403 -38403 -1.0259 -19.926 0.4577 6.4148e+05 2024-05-18 13:48:51,035 INFO [main.py:798]
{rank 0/64} MD step = 367200 step time: 00:00:00.327232 Performance: 41.125 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 13:48:57,148 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 59.543 -31975 6526 -38501 -38501 -1.0256 -19.93 0.45694 6.4161e+05 2024-05-18 13:49:31,966 INFO [main.py:798]
{rank 0/64} MD step = 367300 step time: 00:00:00.342968 Performance: 41.126 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 13:49:44,842 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367300 73460 59.595 -31862 6531.7 -38393 -38393 -1.0255 -19.934 0.45656 6.4184e+05 2024-05-18 13:50:20,070 INFO [main.py:798]
{rank 0/64} MD step = 367400 step time: 00:00:00.352127 Performance: 41.124 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 13:50:26,186 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367400 73480 60.073 -31839 6584.1 -38423 -38423 -1.0258 -19.939 0.45609 6.4205e+05 2024-05-18 13:51:01,888 INFO [main.py:798]
{rank 0/64} MD step = 367500 step time: 00:00:00.332650 Performance: 41.124 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 13:51:06,700 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 59.981 -31875 6574 -38449 -38449 -1.0244 -19.945 0.4558 6.4218e+05 2024-05-18 13:51:42,994 INFO [main.py:798]
{rank 0/64} MD step = 367600 step time: 00:00:00.363535 Performance: 41.124 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 13:51:49,821 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367600 73520 59.324 -32041 6501.9 -38543 -38543 -1.0248 -19.951 0.45776 6.4236e+05 2024-05-18 13:52:24,635 INFO [main.py:798]
{rank 0/64} MD step = 367700 step time: 00:00:00.348321 Performance: 41.124 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 13:52:32,054 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 59.536 -32086 6525.3 -38611 -38611 -1.0258 -19.955 0.45732 6.425e+05 2024-05-18 13:53:06,832 INFO [main.py:798]
{rank 0/64} MD step = 367800 step time: 00:00:00.375894 Performance: 41.124 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 13:53:21,683 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 59.611 -31958 6533.4 -38491 -38491 -1.0236 -19.961 0.45742 6.4271e+05 2024-05-18 13:53:56,384 INFO [main.py:798]
{rank 0/64} MD step = 367900 step time: 00:00:00.354818 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 13:54:01,587 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 60.451 -31855 6625.5 -38481 -38481 -1.0227 -19.966 0.45949 6.4288e+05 2024-05-18 13:54:38,827 INFO [main.py:798]
{rank 0/64} MD step = 368000 step time: 00:00:00.366431 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 13:54:45,086 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 368000 73600 59.815 -31970 6555.8 -38526 -38526 -1.0199 -19.971 0.45713 6.4303e+05 2024-05-18 13:55:19,698 INFO [main.py:798]
{rank 0/64} MD step = 368100 step time: 00:00:00.346028 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 13:55:25,514 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 59.038 -31962 6470.7 -38432 -38432 -1.0183 -19.976 0.45656 6.4322e+05 2024-05-18 13:56:01,237 INFO [main.py:798]
{rank 0/64} MD step = 368200 step time: 00:00:00.353404 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 13:56:08,161 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 59.043 -31938 6471.2 -38409 -38409 -1.0184 -19.981 0.45561 6.4337e+05 2024-05-18 13:56:42,323 INFO [main.py:798]
{rank 0/64} MD step = 368300 step time: 00:00:00.348738 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 13:56:47,590 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 368300 73660 59.508 -31898 6522.1 -38420 -38420 -1.0197 -19.987 0.45573 6.4352e+05 2024-05-18 13:57:23,913 INFO [main.py:798]
{rank 0/64} MD step = 368400 step time: 00:00:00.356465 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 13:57:30,135 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 60.346 -31707 6614 -38321 -38321 -1.0213 -19.992 0.45568 6.437e+05 2024-05-18 13:58:04,756 INFO [main.py:798]
{rank 0/64} MD step = 368500 step time: 00:00:00.357476 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 13:58:10,227 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 60.259 -31769 6604.5 -38373 -38373 -1.0211 -19.997 0.45499 6.4387e+05 2024-05-18 13:58:45,528 INFO [main.py:798]
{rank 0/64} MD step = 368600 step time: 00:00:00.342508 Performance: 41.124 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 13:58:54,654 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 59.946 -31848 6570.2 -38418 -38418 -1.022 -20.002 0.45307 6.4402e+05 2024-05-18 13:59:29,485 INFO [main.py:798]
{rank 0/64} MD step = 368700 step time: 00:00:00.342241 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 13:59:39,055 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 368700 73740 59.111 -31919 6478.6 -38398 -38398 -1.0214 -20.005 0.45368 6.4422e+05 2024-05-18 14:00:13,276 INFO [main.py:798]
{rank 0/64} MD step = 368800 step time: 00:00:00.352608 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:00:17,645 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 60.787 -31774 6662.3 -38437 -38437 -1.0208 -20.008 0.45161 6.4438e+05 2024-05-18 14:00:53,908 INFO [main.py:798]
{rank 0/64} MD step = 368900 step time: 00:00:00.362363 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:01:00,480 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 368900 73780 60.591 -31792 6640.8 -38433 -38433 -1.02 -20.014 0.45063 6.4459e+05 2024-05-18 14:01:35,401 INFO [main.py:798]
{rank 0/64} MD step = 369000 step time: 00:00:00.337463 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:01:41,291 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369000 73800 60.599 -31785 6641.7 -38426 -38426 -1.021 -20.017 0.45035 6.4475e+05 2024-05-18 14:02:15,950 INFO [main.py:798]
{rank 0/64} MD step = 369100 step time: 00:00:00.351602 Performance: 41.124 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:02:21,097 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 60.298 -31721 6608.8 -38329 -38329 -1.022 -20.021 0.44799 6.4498e+05 2024-05-18 14:02:56,550 INFO [main.py:798]
{rank 0/64} MD step = 369200 step time: 00:00:00.357972 Performance: 41.124 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:03:11,651 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369200 73840 59.51 -31867 6522.4 -38390 -38390 -1.0226 -20.026 0.44882 6.4513e+05 2024-05-18 14:03:46,648 INFO [main.py:798]
{rank 0/64} MD step = 369300 step time: 00:00:00.358184 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:03:56,199 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 59.117 -31851 6479.3 -38331 -38331 -1.0223 -20.03 0.44928 6.453e+05 2024-05-18 14:04:30,712 INFO [main.py:798]
{rank 0/64} MD step = 369400 step time: 00:00:00.356115 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:04:39,067 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 59.254 -31921 6494.3 -38415 -38415 -1.0217 -20.034 0.44751 6.4549e+05 2024-05-18 14:05:12,295 INFO [main.py:798]
{rank 0/64} MD step = 369500 step time: 00:00:00.367737 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:05:21,856 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369500 73900 59.775 -32043 6551.4 -38594 -38594 -1.0235 -20.038 0.44677 6.4563e+05 2024-05-18 14:05:56,769 INFO [main.py:798]
{rank 0/64} MD step = 369600 step time: 00:00:00.362738 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:06:03,589 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369600 73920 60.483 -31843 6629 -38472 -38472 -1.023 -20.044 0.44743 6.4584e+05 2024-05-18 14:06:38,136 INFO [main.py:798]
{rank 0/64} MD step = 369700 step time: 00:00:00.355887 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:06:44,332 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369700 73940 59.851 -31999 6559.8 -38559 -38559 -1.0229 -20.048 0.4466 6.46e+05 2024-05-18 14:07:18,909 INFO [main.py:798]
{rank 0/64} MD step = 369800 step time: 00:00:00.355426 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:07:25,398 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369800 73960 59.422 -31807 6512.7 -38319 -38319 -1.0225 -20.052 0.44631 6.4621e+05 2024-05-18 14:07:59,894 INFO [main.py:798]
{rank 0/64} MD step = 369900 step time: 00:00:00.345820 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:08:05,916 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369900 73980 60.552 -31763 6636.6 -38400 -38400 -1.026 -20.057 0.44615 6.4637e+05 2024-05-18 14:08:40,404 INFO [main.py:798]
{rank 0/64} MD step = 370000 step time: 00:00:00.348395 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:08:46,608 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370000 74000 60.661 -31815 6648.6 -38464 -38464 -1.0266 -20.061 0.44663 6.4653e+05 2024-05-18 14:09:20,959 INFO [main.py:798]
{rank 0/64} MD step = 370100 step time: 00:00:00.349401 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:09:27,151 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370100 74020 60.283 -31814 6607.1 -38421 -38421 -1.0276 -20.065 0.4474 6.4669e+05 2024-05-18 14:10:02,795 INFO [main.py:798]
{rank 0/64} MD step = 370200 step time: 00:00:00.346944 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:10:08,670 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370200 74040 59.931 -31978 6568.6 -38547 -38547 -1.028 -20.07 0.44702 6.4685e+05 2024-05-18 14:10:44,687 INFO [main.py:798]
{rank 0/64} MD step = 370300 step time: 00:00:00.382066 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:10:51,314 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370300 74060 60.624 -31827 6644.5 -38471 -38471 -1.0296 -20.072 0.44465 6.4708e+05 2024-05-18 14:11:25,792 INFO [main.py:798]
{rank 0/64} MD step = 370400 step time: 00:00:00.348935 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:11:31,884 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370400 74080 60.086 -31897 6585.6 -38482 -38482 -1.0311 -20.076 0.44359 6.4723e+05 2024-05-18 14:12:07,380 INFO [main.py:798]
{rank 0/64} MD step = 370500 step time: 00:00:00.371142 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:12:13,397 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 60.478 -31815 6628.4 -38443 -38443 -1.0312 -20.081 0.44478 6.4742e+05 2024-05-18 14:12:48,152 INFO [main.py:798]
{rank 0/64} MD step = 370600 step time: 00:00:00.348809 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:12:56,297 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 60.428 -31860 6623 -38483 -38483 -1.0317 -20.086 0.44637 6.4754e+05 2024-05-18 14:13:30,885 INFO [main.py:798]
{rank 0/64} MD step = 370700 step time: 00:00:00.350447 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:13:38,762 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370700 74140 59.964 -31966 6572.1 -38538 -38538 -1.033 -20.09 0.44705 6.4771e+05 2024-05-18 14:14:13,853 INFO [main.py:798]
{rank 0/64} MD step = 370800 step time: 00:00:00.352470 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:14:20,340 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370800 74160 59.488 -32039 6520 -38559 -38559 -1.0331 -20.096 0.44709 6.4788e+05 2024-05-18 14:14:55,035 INFO [main.py:798]
{rank 0/64} MD step = 370900 step time: 00:00:00.345152 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:15:02,293 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 60.536 -31847 6634.8 -38481 -38481 -1.0332 -20.101 0.44696 6.4805e+05 2024-05-18 14:15:36,859 INFO [main.py:798]
{rank 0/64} MD step = 371000 step time: 00:00:00.363738 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:15:42,693 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 371000 74200 59.079 -31964 6475.1 -38439 -38439 -1.0343 -20.106 0.44654 6.4825e+05 2024-05-18 14:16:18,900 INFO [main.py:798]
{rank 0/64} MD step = 371100 step time: 00:00:00.372202 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:16:24,971 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 371100 74220 60.155 -31974 6593.1 -38568 -38568 -1.0356 -20.111 0.44686 6.484e+05 2024-05-18 14:16:59,407 INFO [main.py:798]
{rank 0/64} MD step = 371200 step time: 00:00:00.343088 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:17:05,950 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 371200 74240 60.615 -31911 6643.4 -38554 -38554 -1.0361 -20.116 0.44627 6.4858e+05 2024-05-18 14:17:40,777 INFO [main.py:798]
{rank 0/64} MD step = 371300 step time: 00:00:00.357878 Performance: 41.124 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:17:49,105 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 371300 74260 59.778 -31930 6551.7 -38482 -38482 -1.0374 -20.121 0.44551 6.4877e+05 2024-05-18 14:18:23,307 INFO [main.py:798]
{rank 0/64} MD step = 371400 step time: 00:00:00.369521 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:18:32,344 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 371400 74280 60.434 -31860 6623.7 -38484 -38484 -1.0374 -20.126 0.44429 6.4891e+05 2024-05-18 14:19:06,976 INFO [main.py:798]
{rank 0/64} MD step = 371500 step time: 00:00:00.341324 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:19:12,062 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 59.688 -31881 6541.9 -38423 -38423 -1.0374 -20.131 0.44458 6.4909e+05 2024-05-18 14:19:48,305 INFO [main.py:798]
{rank 0/64} MD step = 371600 step time: 00:00:00.360118 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:19:55,359 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 371600 74320 61.497 -31837 6740.1 -38577 -38577 -1.0375 -20.135 0.44376 6.4924e+05 2024-05-18 14:20:30,184 INFO [main.py:798]
{rank 0/64} MD step = 371700 step time: 00:00:00.357771 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:20:37,991 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 58.873 -32124 6452.5 -38577 -38577 -1.0392 -20.138 0.44489 6.4941e+05 2024-05-18 14:21:12,938 INFO [main.py:798]
{rank 0/64} MD step = 371800 step time: 00:00:00.351242 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:21:22,785 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 371800 74360 59.431 -31886 6513.7 -38400 -38400 -1.0385 -20.142 0.44416 6.4964e+05 2024-05-18 14:21:57,940 INFO [main.py:798]
{rank 0/64} MD step = 371900 step time: 00:00:00.370256 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:22:04,544 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 60.365 -31832 6616.1 -38448 -38448 -1.0386 -20.145 0.44399 6.498e+05 2024-05-18 14:22:38,945 INFO [main.py:798]
{rank 0/64} MD step = 372000 step time: 00:00:00.345526 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:22:45,837 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372000 74400 60.416 -31724 6621.7 -38346 -38346 -1.0377 -20.147 0.44339 6.4998e+05 2024-05-18 14:23:20,494 INFO [main.py:798]
{rank 0/64} MD step = 372100 step time: 00:00:00.333958 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:23:26,399 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372100 74420 60.098 -31811 6586.8 -38398 -38398 -1.0368 -20.15 0.44249 6.5013e+05 2024-05-18 14:24:02,413 INFO [main.py:798]
{rank 0/64} MD step = 372200 step time: 00:00:00.348110 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:24:10,260 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 59.579 -31974 6529.9 -38504 -38504 -1.0329 -20.155 0.4415 6.5029e+05 2024-05-18 14:24:44,541 INFO [main.py:798]
{rank 0/64} MD step = 372300 step time: 00:00:00.328271 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:24:50,457 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 59.291 -32063 6498.4 -38561 -38561 -1.0309 -20.16 0.44088 6.5044e+05 2024-05-18 14:25:25,170 INFO [main.py:798]
{rank 0/64} MD step = 372400 step time: 00:00:00.380861 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:25:34,607 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 60.775 -31801 6661 -38462 -38462 -1.0295 -20.165 0.44191 6.5066e+05 2024-05-18 14:26:09,484 INFO [main.py:798]
{rank 0/64} MD step = 372500 step time: 00:00:00.349131 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:26:17,077 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372500 74500 59.881 -31971 6563.1 -38534 -38534 -1.0267 -20.169 0.44075 6.5081e+05 2024-05-18 14:26:52,083 INFO [main.py:798]
{rank 0/64} MD step = 372600 step time: 00:00:00.355945 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:26:56,142 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372600 74520 60.255 -31925 6604 -38529 -38529 -1.0224 -20.174 0.44045 6.5101e+05 2024-05-18 14:27:32,238 INFO [main.py:798]
{rank 0/64} MD step = 372700 step time: 00:00:00.349626 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:27:37,400 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 60.298 -31839 6608.7 -38448 -38448 -1.0209 -20.179 0.44135 6.5117e+05 2024-05-18 14:28:12,284 INFO [main.py:798]
{rank 0/64} MD step = 372800 step time: 00:00:00.342024 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:28:20,759 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372800 74560 60.802 -31843 6663.9 -38507 -38507 -1.0204 -20.184 0.44155 6.5135e+05 2024-05-18 14:28:55,461 INFO [main.py:798]
{rank 0/64} MD step = 372900 step time: 00:00:00.353407 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:29:01,200 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372900 74580 60.141 -31957 6591.6 -38549 -38549 -1.0203 -20.19 0.4413 6.5152e+05 2024-05-18 14:29:35,870 INFO [main.py:798]
{rank 0/64} MD step = 373000 step time: 00:00:00.346702 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:29:43,838 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 373000 74600 59.39 -32068 6509.2 -38578 -38578 -1.0188 -20.194 0.44035 6.5166e+05 2024-05-18 14:30:18,503 INFO [main.py:798]
{rank 0/64} MD step = 373100 step time: 00:00:00.355487 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:30:24,324 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 59.628 -31945 6535.3 -38480 -38480 -1.0185 -20.199 0.43942 6.5189e+05 2024-05-18 14:30:59,208 INFO [main.py:798]
{rank 0/64} MD step = 373200 step time: 00:00:00.344064 Performance: 41.124 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:31:05,324 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 373200 74640 59.33 -31991 6502.6 -38493 -38493 -1.0167 -20.205 0.43847 6.5207e+05 2024-05-18 14:31:40,073 INFO [main.py:798]
{rank 0/64} MD step = 373300 step time: 00:00:00.355788 Performance: 41.124 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:31:45,299 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 59.174 -31939 6485.6 -38425 -38425 -1.0151 -20.209 0.4372 6.5225e+05 2024-05-18 14:32:21,842 INFO [main.py:798]
{rank 0/64} MD step = 373400 step time: 00:00:00.345047 Performance: 41.124 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:32:27,732 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 373400 74680 60.09 -31972 6585.9 -38557 -38557 -1.0127 -20.214 0.43515 6.524e+05 2024-05-18 14:33:02,206 INFO [main.py:798]
{rank 0/64} MD step = 373500 step time: 00:00:00.350691 Performance: 41.124 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:33:11,695 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 373500 74700 59.241 -31989 6492.9 -38482 -38482 -1.0113 -20.22 0.43389 6.5257e+05 2024-05-18 14:33:46,647 INFO [main.py:798]
{rank 0/64} MD step = 373600 step time: 00:00:00.369233 Performance: 41.124 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:33:51,606 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 60.47 -31875 6627.6 -38502 -38502 -1.0105 -20.223 0.43408 6.5274e+05 2024-05-18 14:34:27,340 INFO [main.py:798]
{rank 0/64} MD step = 373700 step time: 00:00:00.351276 Performance: 41.124 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:34:35,365 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 373700 74740 59.898 -31864 6564.9 -38429 -38429 -1.0103 -20.228 0.43351 6.5291e+05 2024-05-18 14:35:11,754 INFO [main.py:798]
{rank 0/64} MD step = 373800 step time: 00:00:00.336360 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:35:18,143 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 61.017 -31795 6687.6 -38483 -38483 -1.0096 -20.233 0.43374 6.5309e+05 2024-05-18 14:35:52,780 INFO [main.py:798]
{rank 0/64} MD step = 373900 step time: 00:00:00.358912 Performance: 41.124 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:35:59,014 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 59.748 -31923 6548.5 -38471 -38471 -1.011 -20.237 0.43318 6.5326e+05 2024-05-18 14:36:36,993 INFO [main.py:798]
{rank 0/64} MD step = 374000 step time: 00:00:00.372223 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:36:48,400 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 60.16 -31894 6593.6 -38487 -38487 -1.0087 -20.241 0.4315 6.5343e+05 2024-05-18 14:37:25,626 INFO [main.py:798]
{rank 0/64} MD step = 374100 step time: 00:00:00.353143 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:37:33,839 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 374100 74820 58.805 -32015 6445.1 -38460 -38460 -1.0086 -20.245 0.43027 6.5363e+05 2024-05-18 14:38:08,422 INFO [main.py:798]
{rank 0/64} MD step = 374200 step time: 00:00:00.375536 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:38:14,472 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 59.756 -31876 6549.4 -38426 -38426 -1.0094 -20.25 0.42671 6.5377e+05 2024-05-18 14:38:49,980 INFO [main.py:798]
{rank 0/64} MD step = 374300 step time: 00:00:00.343279 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:38:55,568 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 60.373 -31841 6616.9 -38458 -38458 -1.01 -20.256 0.42629 6.5395e+05 2024-05-18 14:39:30,293 INFO [main.py:798]
{rank 0/64} MD step = 374400 step time: 00:00:00.344035 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:39:37,349 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 59.452 -31699 6516 -38215 -38215 -1.0101 -20.262 0.42614 6.5417e+05 2024-05-18 14:40:12,035 INFO [main.py:798]
{rank 0/64} MD step = 374500 step time: 00:00:00.353220 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:40:18,903 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 374500 74900 59.57 -31819 6528.9 -38348 -38348 -1.008 -20.268 0.42476 6.5434e+05 2024-05-18 14:40:53,721 INFO [main.py:798]
{rank 0/64} MD step = 374600 step time: 00:00:00.344535 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:41:00,707 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 374600 74920 60.011 -31815 6577.2 -38392 -38392 -1.007 -20.271 0.42421 6.5449e+05 2024-05-18 14:41:34,999 INFO [main.py:798]
{rank 0/64} MD step = 374700 step time: 00:00:00.355301 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:41:42,253 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 374700 74940 60.249 -32034 6603.3 -38637 -38637 -1.0064 -20.277 0.42513 6.5465e+05 2024-05-18 14:42:18,221 INFO [main.py:798]
{rank 0/64} MD step = 374800 step time: 00:00:00.348706 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:42:25,221 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 374800 74960 60.568 -31811 6638.4 -38449 -38449 -1.0046 -20.281 0.42507 6.5485e+05 2024-05-18 14:43:03,913 INFO [main.py:798]
{rank 0/64} MD step = 374900 step time: 00:00:00.374788 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:43:10,555 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 374900 74980 60.107 -31916 6587.8 -38504 -38504 -1.0023 -20.284 0.4252 6.55e+05 2024-05-18 14:43:44,816 INFO [main.py:798]
{rank 0/64} MD step = 375000 step time: 00:00:00.346359 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:43:51,072 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 59.543 -31730 6526 -38256 -38256 -1.0008 -20.29 0.42443 6.5519e+05 2024-05-18 14:44:25,708 INFO [main.py:798]
{rank 0/64} MD step = 375100 step time: 00:00:00.345592 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:44:30,919 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 375100 75020 60.079 -31815 6584.8 -38400 -38400 -1.0001 -20.296 0.42528 6.5533e+05 2024-05-18 14:45:07,015 INFO [main.py:798]
{rank 0/64} MD step = 375200 step time: 00:00:00.338893 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:45:15,964 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 375200 75040 60.011 -31773 6577.3 -38350 -38350 -0.99831 -20.301 0.42406 6.5553e+05 2024-05-18 14:45:50,840 INFO [main.py:798]
{rank 0/64} MD step = 375300 step time: 00:00:00.350584 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:45:59,661 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 375300 75060 59.718 -31873 6545.2 -38418 -38418 -1.0001 -20.306 0.42332 6.5567e+05 2024-05-18 14:46:34,653 INFO [main.py:798]
{rank 0/64} MD step = 375400 step time: 00:00:00.349827 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:46:41,272 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 60.106 -31713 6587.7 -38301 -38301 -0.99796 -20.308 0.42275 6.5587e+05 2024-05-18 14:47:15,481 INFO [main.py:798]
{rank 0/64} MD step = 375500 step time: 00:00:00.343771 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:47:21,683 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 375500 75100 60.057 -31855 6582.3 -38437 -38437 -0.99628 -20.312 0.42105 6.5602e+05 2024-05-18 14:47:55,915 INFO [main.py:798]
{rank 0/64} MD step = 375600 step time: 00:00:00.373535 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:48:02,600 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 59.113 -31991 6478.9 -38470 -38470 -0.99423 -20.316 0.4205 6.5621e+05 2024-05-18 14:48:37,114 INFO [main.py:798]
{rank 0/64} MD step = 375700 step time: 00:00:00.330310 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:48:45,599 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 375700 75140 60.41 -31889 6621 -38510 -38510 -0.99399 -20.319 0.42027 6.5637e+05 2024-05-18 14:49:22,344 INFO [main.py:798]
{rank 0/64} MD step = 375800 step time: 00:00:00.357572 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:49:28,611 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 60.28 -31854 6606.7 -38461 -38461 -0.99242 -20.323 0.42023 6.5654e+05 2024-05-18 14:50:03,101 INFO [main.py:798]
{rank 0/64} MD step = 375900 step time: 00:00:00.348212 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:50:11,933 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 60.812 -31802 6665.1 -38467 -38467 -0.98962 -20.327 0.41922 6.5672e+05 2024-05-18 14:50:46,114 INFO [main.py:798]
{rank 0/64} MD step = 376000 step time: 00:00:00.327625 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:50:55,914 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376000 75200 60.458 -31927 6626.3 -38553 -38553 -0.9891 -20.331 0.41812 6.5688e+05 2024-05-18 14:51:30,481 INFO [main.py:798]
{rank 0/64} MD step = 376100 step time: 00:00:00.331686 Performance: 41.120 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:51:37,386 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376100 75220 59.538 -31766 6525.4 -38291 -38291 -0.98947 -20.336 0.41799 6.5708e+05 2024-05-18 14:52:11,993 INFO [main.py:798]
{rank 0/64} MD step = 376200 step time: 00:00:00.330557 Performance: 41.120 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:52:21,704 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376200 75240 59.955 -31903 6571.1 -38474 -38474 -0.99057 -20.341 0.4169 6.5721e+05 2024-05-18 14:52:56,399 INFO [main.py:798]
{rank 0/64} MD step = 376300 step time: 00:00:00.362046 Performance: 41.120 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:53:03,705 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 59.726 -31977 6546 -38523 -38523 -0.99248 -20.345 0.41644 6.5738e+05 2024-05-18 14:53:38,764 INFO [main.py:798]
{rank 0/64} MD step = 376400 step time: 00:00:00.332185 Performance: 41.120 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:53:45,544 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 60.936 -31702 6678.6 -38381 -38381 -0.99478 -20.35 0.41517 6.5758e+05 2024-05-18 14:54:20,432 INFO [main.py:798]
{rank 0/64} MD step = 376500 step time: 00:00:00.333631 Performance: 41.120 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:54:26,167 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376500 75300 60.001 -31805 6576.2 -38382 -38382 -0.99499 -20.355 0.41465 6.5774e+05 2024-05-18 14:55:02,043 INFO [main.py:798]
{rank 0/64} MD step = 376600 step time: 00:00:00.349328 Performance: 41.120 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:55:07,574 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376600 75320 60.371 -31880 6616.7 -38497 -38497 -0.9939 -20.359 0.41397 6.5789e+05 2024-05-18 14:55:41,842 INFO [main.py:798]
{rank 0/64} MD step = 376700 step time: 00:00:00.345212 Performance: 41.120 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:55:48,217 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 59.921 -31951 6567.4 -38519 -38519 -0.99114 -20.364 0.41301 6.5807e+05 2024-05-18 14:56:23,399 INFO [main.py:798]
{rank 0/64} MD step = 376800 step time: 00:00:00.343094 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:56:31,648 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376800 75360 59.875 -31991 6562.4 -38554 -38554 -0.99007 -20.368 0.4105 6.5827e+05 2024-05-18 14:57:06,484 INFO [main.py:798]
{rank 0/64} MD step = 376900 step time: 00:00:00.333381 Performance: 41.120 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:57:12,095 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 59.852 -31831 6559.8 -38391 -38391 -0.98979 -20.373 0.41108 6.5845e+05 2024-05-18 14:57:48,925 INFO [main.py:798]
{rank 0/64} MD step = 377000 step time: 00:00:00.331534 Performance: 41.120 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:57:54,875 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377000 75400 59.683 -31931 6541.3 -38472 -38472 -0.98914 -20.376 0.41031 6.5862e+05 2024-05-18 14:58:29,714 INFO [main.py:798]
{rank 0/64} MD step = 377100 step time: 00:00:00.332054 Performance: 41.120 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:58:35,415 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 60.616 -31766 6643.6 -38409 -38409 -0.98623 -20.381 0.40922 6.5878e+05 2024-05-18 14:59:10,195 INFO [main.py:798]
{rank 0/64} MD step = 377200 step time: 00:00:00.335134 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:59:16,285 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377200 75440 59.784 -31927 6552.4 -38479 -38479 -0.98417 -20.385 0.40784 6.5896e+05 2024-05-18 14:59:50,993 INFO [main.py:798]
{rank 0/64} MD step = 377300 step time: 00:00:00.329995 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 14:59:57,047 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377300 75460 60.167 -31841 6594.4 -38436 -38436 -0.9823 -20.389 0.40619 6.5914e+05 2024-05-18 15:00:33,181 INFO [main.py:798]
{rank 0/64} MD step = 377400 step time: 00:00:00.329090 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:00:38,977 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377400 75480 59.7 -32025 6543.2 -38568 -38568 -0.98053 -20.394 0.4041 6.5929e+05 2024-05-18 15:01:13,982 INFO [main.py:798]
{rank 0/64} MD step = 377500 step time: 00:00:00.327453 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:01:22,760 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 60.212 -31830 6599.3 -38430 -38430 -0.98025 -20.399 0.40425 6.5949e+05 2024-05-18 15:01:58,240 INFO [main.py:798]
{rank 0/64} MD step = 377600 step time: 00:00:00.327886 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:02:08,967 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377600 75520 60.171 -31822 6594.9 -38416 -38416 -0.97901 -20.402 0.40412 6.5965e+05 2024-05-18 15:02:45,216 INFO [main.py:798]
{rank 0/64} MD step = 377700 step time: 00:00:00.349359 Performance: 41.120 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:02:50,827 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377700 75540 60.411 -31818 6621.1 -38440 -38440 -0.97712 -20.407 0.40459 6.5982e+05 2024-05-18 15:03:25,795 INFO [main.py:798]
{rank 0/64} MD step = 377800 step time: 00:00:00.334143 Performance: 41.120 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:03:31,649 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377800 75560 59.652 -31935 6538 -38473 -38473 -0.97727 -20.409 0.40395 6.5996e+05 2024-05-18 15:04:06,131 INFO [main.py:798]
{rank 0/64} MD step = 377900 step time: 00:00:00.326626 Performance: 41.120 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:04:11,722 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377900 75580 60.802 -31694 6664 -38358 -38358 -0.97783 -20.412 0.40179 6.6018e+05 2024-05-18 15:04:46,518 INFO [main.py:798]
{rank 0/64} MD step = 378000 step time: 00:00:00.335563 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:04:53,212 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 60.13 -31900 6590.3 -38490 -38490 -0.97708 -20.416 0.40204 6.6035e+05 2024-05-18 15:05:27,960 INFO [main.py:798]
{rank 0/64} MD step = 378100 step time: 00:00:00.332516 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:05:33,940 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 59.548 -31981 6526.6 -38508 -38508 -0.97566 -20.42 0.40294 6.605e+05 2024-05-18 15:06:08,460 INFO [main.py:798]
{rank 0/64} MD step = 378200 step time: 00:00:00.337362 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:06:15,962 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 60.386 -31816 6618.4 -38435 -38435 -0.97302 -20.424 0.40185 6.607e+05 2024-05-18 15:06:50,233 INFO [main.py:798]
{rank 0/64} MD step = 378300 step time: 00:00:00.332287 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:06:57,579 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 59.887 -31917 6563.7 -38480 -38480 -0.97217 -20.429 0.40132 6.6086e+05 2024-05-18 15:07:33,666 INFO [main.py:798]
{rank 0/64} MD step = 378400 step time: 00:00:00.341796 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:07:39,156 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378400 75680 60.487 -31751 6629.5 -38380 -38380 -0.97036 -20.433 0.4012 6.6104e+05 2024-05-18 15:08:13,838 INFO [main.py:798]
{rank 0/64} MD step = 378500 step time: 00:00:00.330759 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:08:24,425 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378500 75700 59.64 -31929 6536.6 -38465 -38465 -0.96844 -20.436 0.40044 6.6121e+05 2024-05-18 15:08:59,238 INFO [main.py:798]
{rank 0/64} MD step = 378600 step time: 00:00:00.330934 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:09:08,150 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378600 75720 60.177 -31934 6595.5 -38529 -38529 -0.96716 -20.441 0.39998 6.6143e+05 2024-05-18 15:09:42,662 INFO [main.py:798]
{rank 0/64} MD step = 378700 step time: 00:00:00.327641 Performance: 41.120 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:09:48,205 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 60.201 -31837 6598.1 -38435 -38435 -0.96459 -20.444 0.39941 6.616e+05 2024-05-18 15:10:23,228 INFO [main.py:798]
{rank 0/64} MD step = 378800 step time: 00:00:00.342977 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:10:30,554 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378800 75760 60.237 -31832 6602 -38434 -38434 -0.96341 -20.448 0.39704 6.6178e+05 2024-05-18 15:11:04,422 INFO [main.py:798]
{rank 0/64} MD step = 378900 step time: 00:00:00.354544 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:11:11,274 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 59.744 -31805 6548.1 -38353 -38353 -0.96215 -20.45 0.39804 6.6198e+05 2024-05-18 15:11:46,866 INFO [main.py:798]
{rank 0/64} MD step = 379000 step time: 00:00:00.353934 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:11:59,728 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 379000 75800 59.407 -31828 6511 -38340 -38340 -0.96289 -20.453 0.39789 6.6219e+05 2024-05-18 15:12:33,166 INFO [main.py:798]
{rank 0/64} MD step = 379100 step time: 00:00:00.326692 Performance: 41.120 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:12:39,633 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 379100 75820 60.195 -31688 6597.4 -38285 -38285 -0.96448 -20.458 0.39785 6.6236e+05 2024-05-18 15:13:15,208 INFO [main.py:798]
{rank 0/64} MD step = 379200 step time: 00:00:00.339750 Performance: 41.120 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:13:20,927 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 379200 75840 60.316 -31684 6610.7 -38294 -38294 -0.96737 -20.461 0.39877 6.6253e+05 2024-05-18 15:13:55,565 INFO [main.py:798]
{rank 0/64} MD step = 379300 step time: 00:00:00.348361 Performance: 41.120 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:14:01,899 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 379300 75860 59.509 -31996 6522.3 -38518 -38518 -0.96784 -20.465 0.39782 6.6271e+05 2024-05-18 15:14:36,649 INFO [main.py:798]
{rank 0/64} MD step = 379400 step time: 00:00:00.351474 Performance: 41.120 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:14:42,662 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 60.139 -31803 6591.3 -38394 -38394 -0.96969 -20.469 0.39713 6.6289e+05 2024-05-18 15:15:17,280 INFO [main.py:798]
{rank 0/64} MD step = 379500 step time: 00:00:00.352096 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:15:23,345 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 59.625 -31825 6534.9 -38360 -38360 -0.97165 -20.472 0.39835 6.6306e+05 2024-05-18 15:15:58,245 INFO [main.py:798]
{rank 0/64} MD step = 379600 step time: 00:00:00.361441 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:16:04,292 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 59.673 -31820 6540.2 -38360 -38360 -0.97245 -20.477 0.39834 6.6322e+05 2024-05-18 15:16:39,742 INFO [main.py:798]
{rank 0/64} MD step = 379700 step time: 00:00:00.350274 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:16:46,601 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 58.77 -31854 6441.2 -38295 -38295 -0.97248 -20.482 0.39917 6.634e+05 2024-05-18 15:17:22,597 INFO [main.py:798]
{rank 0/64} MD step = 379800 step time: 00:00:00.355376 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:17:28,771 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 379800 75960 59.462 -31934 6517.1 -38452 -38452 -0.97278 -20.487 0.39805 6.6355e+05 2024-05-18 15:18:03,463 INFO [main.py:798]
{rank 0/64} MD step = 379900 step time: 00:00:00.338178 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:18:09,539 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 59.921 -31762 6567.4 -38329 -38329 -0.97352 -20.49 0.39717 6.6378e+05 2024-05-18 15:18:44,824 INFO [main.py:798]
{rank 0/64} MD step = 380000 step time: 00:00:00.339573 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:18:51,568 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 380000 76000 59.068 -31839 6473.9 -38313 -38313 -0.97621 -20.493 0.39619 6.6397e+05 2024-05-18 15:19:26,299 INFO [main.py:798]
{rank 0/64} MD step = 380100 step time: 00:00:00.358936 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:19:32,800 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 59.669 -31832 6539.8 -38372 -38372 -0.97564 -20.497 0.39733 6.6415e+05 2024-05-18 15:20:07,678 INFO [main.py:798]
{rank 0/64} MD step = 380200 step time: 00:00:00.353705 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:20:19,832 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 59.377 -31937 6507.8 -38445 -38445 -0.97352 -20.5 0.39797 6.6431e+05 2024-05-18 15:20:54,922 INFO [main.py:798]
{rank 0/64} MD step = 380300 step time: 00:00:00.357161 Performance: 41.120 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:21:01,964 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 380300 76060 59.684 -31924 6541.5 -38466 -38466 -0.9734 -20.502 0.39751 6.645e+05 2024-05-18 15:21:36,760 INFO [main.py:798]
{rank 0/64} MD step = 380400 step time: 00:00:00.349716 Performance: 41.120 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:21:43,007 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 380400 76080 60.121 -31815 6589.3 -38404 -38404 -0.97294 -20.506 0.39709 6.6467e+05 2024-05-18 15:22:17,638 INFO [main.py:798]
{rank 0/64} MD step = 380500 step time: 00:00:00.331383 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:22:22,505 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 59.957 -31853 6571.3 -38424 -38424 -0.9723 -20.509 0.39787 6.6482e+05 2024-05-18 15:23:00,102 INFO [main.py:798]
{rank 0/64} MD step = 380600 step time: 00:00:00.327458 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:23:06,580 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 380600 76120 60.388 -31784 6618.6 -38402 -38402 -0.97236 -20.513 0.39721 6.6501e+05 2024-05-18 15:23:41,789 INFO [main.py:798]
{rank 0/64} MD step = 380700 step time: 00:00:00.348259 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:23:47,554 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 59.796 -31948 6553.8 -38502 -38502 -0.97188 -20.516 0.39755 6.6518e+05 2024-05-18 15:24:23,274 INFO [main.py:798]
{rank 0/64} MD step = 380800 step time: 00:00:00.328872 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:24:28,636 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 380800 76160 59.502 -31956 6521.5 -38477 -38477 -0.97272 -20.52 0.39701 6.6538e+05 2024-05-18 15:25:03,196 INFO [main.py:798]
{rank 0/64} MD step = 380900 step time: 00:00:00.334281 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:25:10,112 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 380900 76180 60.273 -31801 6605.9 -38407 -38407 -0.9719 -20.523 0.39797 6.6558e+05 2024-05-18 15:25:44,953 INFO [main.py:798]
{rank 0/64} MD step = 381000 step time: 00:00:00.332365 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:25:54,788 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 381000 76200 60.667 -31706 6649.1 -38355 -38355 -0.97114 -20.526 0.3949 6.6577e+05 2024-05-18 15:26:29,047 INFO [main.py:798]
{rank 0/64} MD step = 381100 step time: 00:00:00.326805 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:26:35,298 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 61.157 -31845 6702.9 -38548 -38548 -0.96924 -20.529 0.39476 6.6591e+05 2024-05-18 15:27:11,084 INFO [main.py:798]
{rank 0/64} MD step = 381200 step time: 00:00:00.376815 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:27:18,042 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 59.79 -31849 6553.1 -38402 -38402 -0.97179 -20.533 0.39537 6.6615e+05 2024-05-18 15:27:52,436 INFO [main.py:798]
{rank 0/64} MD step = 381300 step time: 00:00:00.339575 Performance: 41.121 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:27:57,672 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 381300 76260 59.512 -31883 6522.6 -38405 -38405 -0.97276 -20.537 0.39517 6.663e+05 2024-05-18 15:28:32,463 INFO [main.py:798]
{rank 0/64} MD step = 381400 step time: 00:00:00.353336 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:28:38,143 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 381400 76280 59.47 -31908 6518 -38426 -38426 -0.97407 -20.54 0.39671 6.6648e+05 2024-05-18 15:29:13,457 INFO [main.py:798]
{rank 0/64} MD step = 381500 step time: 00:00:00.350434 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:29:18,086 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 381500 76300 59.913 -31811 6566.6 -38378 -38378 -0.97527 -20.543 0.39701 6.6665e+05 2024-05-18 15:29:54,102 INFO [main.py:798]
{rank 0/64} MD step = 381600 step time: 00:00:00.377113 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:30:00,256 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 381600 76320 60.37 -31715 6616.6 -38332 -38332 -0.97481 -20.546 0.39579 6.6683e+05 2024-05-18 15:30:34,789 INFO [main.py:798]
{rank 0/64} MD step = 381700 step time: 00:00:00.348693 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:30:41,923 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 381700 76340 59.587 -31891 6530.8 -38422 -38422 -0.97646 -20.55 0.39644 6.6702e+05 2024-05-18 15:31:16,175 INFO [main.py:798]
{rank 0/64} MD step = 381800 step time: 00:00:00.345750 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:31:24,412 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 59.491 -31951 6520.3 -38472 -38472 -0.97748 -20.555 0.39677 6.6717e+05 2024-05-18 15:31:58,838 INFO [main.py:798]
{rank 0/64} MD step = 381900 step time: 00:00:00.346903 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:32:05,012 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 381900 76380 60.273 -31880 6606 -38486 -38486 -0.97646 -20.558 0.39684 6.6737e+05 2024-05-18 15:32:39,905 INFO [main.py:798]
{rank 0/64} MD step = 382000 step time: 00:00:00.361895 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:32:45,495 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 382000 76400 59.939 -31999 6569.4 -38568 -38568 -0.97564 -20.559 0.39522 6.6752e+05 2024-05-18 15:33:20,450 INFO [main.py:798]
{rank 0/64} MD step = 382100 step time: 00:00:00.353624 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:33:30,465 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 382100 76420 59.288 -31864 6498.1 -38362 -38362 -0.97463 -20.562 0.39309 6.6768e+05 2024-05-18 15:34:06,725 INFO [main.py:798]
{rank 0/64} MD step = 382200 step time: 00:00:00.374198 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:34:12,989 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 60.038 -31856 6580.2 -38437 -38437 -0.97429 -20.564 0.39442 6.6781e+05 2024-05-18 15:34:47,466 INFO [main.py:798]
{rank 0/64} MD step = 382300 step time: 00:00:00.349357 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:34:54,410 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 59.961 -31856 6571.8 -38428 -38428 -0.97251 -20.566 0.39414 6.68e+05 2024-05-18 15:35:29,560 INFO [main.py:798]
{rank 0/64} MD step = 382400 step time: 00:00:00.347986 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:35:35,816 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 60.407 -31778 6620.7 -38399 -38399 -0.97383 -20.569 0.39345 6.6817e+05 2024-05-18 15:36:10,318 INFO [main.py:798]
{rank 0/64} MD step = 382500 step time: 00:00:00.353346 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:36:16,926 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 382500 76500 59.993 -31779 6575.3 -38354 -38354 -0.974 -20.571 0.39273 6.6833e+05 2024-05-18 15:36:51,479 INFO [main.py:798]
{rank 0/64} MD step = 382600 step time: 00:00:00.348136 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:36:58,787 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 382600 76520 60.338 -31709 6613.1 -38322 -38322 -0.97687 -20.575 0.39144 6.6849e+05 2024-05-18 15:37:32,748 INFO [main.py:798]
{rank 0/64} MD step = 382700 step time: 00:00:00.347720 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:37:43,692 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 59.344 -31862 6504.2 -38366 -38366 -0.97749 -20.577 0.39164 6.6866e+05 2024-05-18 15:38:19,617 INFO [main.py:798]
{rank 0/64} MD step = 382800 step time: 00:00:00.372480 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:38:26,470 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 382800 76560 59.656 -31837 6538.4 -38375 -38375 -0.97933 -20.578 0.39153 6.6882e+05 2024-05-18 15:39:00,847 INFO [main.py:798]
{rank 0/64} MD step = 382900 step time: 00:00:00.341129 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:39:07,485 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 382900 76580 60.601 -31833 6642 -38475 -38475 -0.97944 -20.58 0.38934 6.69e+05 2024-05-18 15:39:41,945 INFO [main.py:798]
{rank 0/64} MD step = 383000 step time: 00:00:00.346616 Performance: 41.122 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:39:47,435 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 60.537 -31855 6634.9 -38490 -38490 -0.97914 -20.582 0.38884 6.6918e+05 2024-05-18 15:40:22,624 INFO [main.py:798]
{rank 0/64} MD step = 383100 step time: 00:00:00.345114 Performance: 41.123 ns/day 0.584 hours/ns 2.380 steps/s 2024-05-18 15:40:53,543 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 60.529 -31858 6634 -38492 -38492 -0.97846 -20.585 0.38878 6.6936e+05 2024-05-18 15:41:29,643 INFO [main.py:798]
{rank 0/64} MD step = 383200 step time: 00:00:00.376542 Performance: 41.116 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 15:41:39,064 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 383200 76640 60.077 -31885 6584.5 -38470 -38470 -0.976 -20.586 0.38875 6.6952e+05 2024-05-18 15:42:15,779 INFO [main.py:798]
{rank 0/64} MD step = 383300 step time: 00:00:00.330921 Performance: 41.115 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 15:42:27,924 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 383300 76660 60.192 -31822 6597.1 -38419 -38419 -0.9751 -20.59 0.38798 6.6973e+05 2024-05-18 15:43:02,272 INFO [main.py:798]
{rank 0/64} MD step = 383400 step time: 00:00:00.349328 Performance: 41.114 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 15:43:10,370 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 383400 76680 59.806 -31670 6554.8 -38225 -38225 -0.97313 -20.594 0.3873 6.6995e+05 2024-05-18 15:43:44,901 INFO [main.py:798]
{rank 0/64} MD step = 383500 step time: 00:00:00.353065 Performance: 41.114 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 15:43:51,507 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 59.37 -31824 6507 -38331 -38331 -0.97266 -20.596 0.38726 6.7011e+05 2024-05-18 15:44:28,073 INFO [main.py:798]
{rank 0/64} MD step = 383600 step time: 00:00:00.373306 Performance: 41.114 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 15:44:35,785 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 59.639 -31909 6536.5 -38445 -38445 -0.97156 -20.599 0.3887 6.7027e+05 2024-05-18 15:45:10,570 INFO [main.py:798]
{rank 0/64} MD step = 383700 step time: 00:00:00.366415 Performance: 41.114 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 15:45:18,955 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 60.114 -31828 6588.6 -38416 -38416 -0.97209 -20.601 0.38863 6.7045e+05 2024-05-18 15:45:53,493 INFO [main.py:798]
{rank 0/64} MD step = 383800 step time: 00:00:00.345819 Performance: 41.113 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 15:45:59,422 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 59.94 -31913 6569.5 -38483 -38483 -0.97319 -20.604 0.38713 6.7061e+05 2024-05-18 15:46:35,306 INFO [main.py:798]
{rank 0/64} MD step = 383900 step time: 00:00:00.374931 Performance: 41.113 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 15:46:41,286 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 60.204 -31919 6598.4 -38517 -38517 -0.97445 -20.606 0.38688 6.7077e+05 2024-05-18 15:47:16,352 INFO [main.py:798]
{rank 0/64} MD step = 384000 step time: 00:00:00.354083 Performance: 41.114 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 15:47:22,259 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 59.627 -31905 6535.2 -38440 -38440 -0.97531 -20.61 0.38566 6.7097e+05 2024-05-18 15:47:56,639 INFO [main.py:798]
{rank 0/64} MD step = 384100 step time: 00:00:00.355631 Performance: 41.114 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 15:48:01,794 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 60.677 -31906 6650.3 -38556 -38556 -0.97358 -20.611 0.3843 6.7114e+05 2024-05-18 15:48:37,026 INFO [main.py:798]
{rank 0/64} MD step = 384200 step time: 00:00:00.353883 Performance: 41.114 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 15:48:42,766 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 384200 76840 61.121 -31770 6699 -38469 -38469 -0.97082 -20.615 0.3849 6.7131e+05 2024-05-18 15:49:17,385 INFO [main.py:798]
{rank 0/64} MD step = 384300 step time: 00:00:00.360222 Performance: 41.115 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 15:49:28,957 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 59.539 -31801 6525.5 -38326 -38326 -0.96847 -20.617 0.38322 6.7148e+05 2024-05-18 15:50:04,250 INFO [main.py:798]
{rank 0/64} MD step = 384400 step time: 00:00:00.345608 Performance: 41.114 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 15:50:09,901 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 61.014 -31694 6687.2 -38381 -38381 -0.96668 -20.62 0.38406 6.7164e+05 2024-05-18 15:50:46,156 INFO [main.py:798]
{rank 0/64} MD step = 384500 step time: 00:00:00.339055 Performance: 41.114 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 15:51:13,321 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 384500 76900 60.396 -31868 6619.5 -38487 -38487 -0.96484 -20.622 0.38419 6.7181e+05 2024-05-18 15:51:48,223 INFO [main.py:798]
{rank 0/64} MD step = 384600 step time: 00:00:00.346502 Performance: 41.109 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 15:51:54,614 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 60.483 -31830 6629.1 -38459 -38459 -0.96438 -20.625 0.38485 6.7201e+05 2024-05-18 15:52:29,048 INFO [main.py:798]
{rank 0/64} MD step = 384700 step time: 00:00:00.342159 Performance: 41.109 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 15:52:37,778 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 384700 76940 59.576 -31882 6529.6 -38411 -38411 -0.96367 -20.63 0.38455 6.722e+05 2024-05-18 15:53:12,222 INFO [main.py:798]
{rank 0/64} MD step = 384800 step time: 00:00:00.352895 Performance: 41.109 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 15:53:27,124 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 384800 76960 60.001 -31980 6576.2 -38556 -38556 -0.96287 -20.633 0.38394 6.7236e+05 2024-05-18 15:54:05,036 INFO [main.py:798]
{rank 0/64} MD step = 384900 step time: 00:00:00.371102 Performance: 41.106 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 15:54:15,482 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 384900 76980 59.654 -31863 6538.2 -38401 -38401 -0.96259 -20.637 0.38471 6.7255e+05 2024-05-18 15:54:50,074 INFO [main.py:798]
{rank 0/64} MD step = 385000 step time: 00:00:00.338996 Performance: 41.105 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 15:54:57,148 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 59.875 -31858 6562.3 -38420 -38420 -0.96173 -20.639 0.38467 6.7271e+05 2024-05-18 15:55:31,592 INFO [main.py:798]
{rank 0/64} MD step = 385100 step time: 00:00:00.342257 Performance: 41.105 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 15:55:37,372 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 59.627 -31942 6535.2 -38477 -38477 -0.96218 -20.642 0.38403 6.729e+05 2024-05-18 15:56:12,141 INFO [main.py:798]
{rank 0/64} MD step = 385200 step time: 00:00:00.356977 Performance: 41.106 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 15:56:17,666 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 385200 77040 60.617 -31741 6643.8 -38384 -38384 -0.96448 -20.643 0.38415 6.7307e+05 2024-05-18 15:56:52,324 INFO [main.py:798]
{rank 0/64} MD step = 385300 step time: 00:00:00.352031 Performance: 41.106 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 15:56:58,338 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 385300 77060 60.609 -31849 6642.8 -38492 -38492 -0.96389 -20.647 0.38455 6.7323e+05 2024-05-18 15:57:32,499 INFO [main.py:798]
{rank 0/64} MD step = 385400 step time: 00:00:00.337477 Performance: 41.107 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 15:57:39,978 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 59.292 -31894 6498.4 -38393 -38393 -0.96364 -20.649 0.38475 6.7339e+05 2024-05-18 15:58:14,406 INFO [main.py:798]
{rank 0/64} MD step = 385500 step time: 00:00:00.372644 Performance: 41.107 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 15:58:23,514 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 385500 77100 60.006 -31969 6576.7 -38546 -38546 -0.96322 -20.651 0.3823 6.7355e+05 2024-05-18 15:58:58,183 INFO [main.py:798]
{rank 0/64} MD step = 385600 step time: 00:00:00.336051 Performance: 41.106 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 15:59:04,234 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 385600 77120 59.194 -31994 6487.8 -38482 -38482 -0.96271 -20.654 0.38145 6.7373e+05 2024-05-18 15:59:39,442 INFO [main.py:798]
{rank 0/64} MD step = 385700 step time: 00:00:00.338635 Performance: 41.106 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 15:59:46,139 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 59.818 -31834 6556.1 -38390 -38390 -0.96228 -20.655 0.38078 6.739e+05 2024-05-18 16:00:20,609 INFO [main.py:798]
{rank 0/64} MD step = 385800 step time: 00:00:00.367776 Performance: 41.107 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:00:26,287 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 59.826 -31956 6557 -38513 -38513 -0.96325 -20.658 0.37888 6.7406e+05 2024-05-18 16:01:02,536 INFO [main.py:798]
{rank 0/64} MD step = 385900 step time: 00:00:00.340372 Performance: 41.107 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:01:09,958 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 60.34 -31743 6613.3 -38356 -38356 -0.96216 -20.661 0.37955 6.7423e+05 2024-05-18 16:01:43,981 INFO [main.py:798]
{rank 0/64} MD step = 386000 step time: 00:00:00.330612 Performance: 41.107 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:01:49,711 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 59.642 -31935 6536.8 -38472 -38472 -0.96173 -20.663 0.37795 6.7439e+05 2024-05-18 16:02:24,529 INFO [main.py:798]
{rank 0/64} MD step = 386100 step time: 00:00:00.328041 Performance: 41.107 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:02:32,314 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 386100 77220 60.295 -31797 6608.4 -38406 -38406 -0.9642 -20.667 0.3781 6.7454e+05 2024-05-18 16:03:07,408 INFO [main.py:798]
{rank 0/64} MD step = 386200 step time: 00:00:00.335253 Performance: 41.107 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:03:15,838 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 60.771 -31780 6660.6 -38441 -38441 -0.96432 -20.67 0.37596 6.7473e+05 2024-05-18 16:03:51,909 INFO [main.py:798]
{rank 0/64} MD step = 386300 step time: 00:00:00.335354 Performance: 41.106 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:03:59,764 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 59.973 -31852 6573.1 -38425 -38425 -0.96649 -20.673 0.37644 6.7489e+05 2024-05-18 16:04:34,333 INFO [main.py:798]
{rank 0/64} MD step = 386400 step time: 00:00:00.333235 Performance: 41.106 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:04:46,375 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 59.214 -31975 6489.9 -38465 -38465 -0.96652 -20.675 0.37708 6.7506e+05 2024-05-18 16:05:23,222 INFO [main.py:798]
{rank 0/64} MD step = 386500 step time: 00:00:00.338465 Performance: 41.104 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:05:29,827 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 386500 77300 59.818 -31952 6556.1 -38508 -38508 -0.96399 -20.676 0.37747 6.7521e+05 2024-05-18 16:06:04,704 INFO [main.py:798]
{rank 0/64} MD step = 386600 step time: 00:00:00.328437 Performance: 41.105 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:06:11,951 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 386600 77320 60.16 -31909 6593.6 -38502 -38502 -0.96465 -20.678 0.37846 6.7539e+05 2024-05-18 16:06:46,842 INFO [main.py:798]
{rank 0/64} MD step = 386700 step time: 00:00:00.349966 Performance: 41.105 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:06:51,734 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 59.849 -31888 6559.5 -38448 -38448 -0.96554 -20.681 0.3781 6.7554e+05 2024-05-18 16:07:26,725 INFO [main.py:798]
{rank 0/64} MD step = 386800 step time: 00:00:00.379539 Performance: 41.105 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:07:33,125 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 386800 77360 60.304 -31907 6609.4 -38517 -38517 -0.96415 -20.682 0.37861 6.7571e+05 2024-05-18 16:08:08,077 INFO [main.py:798]
{rank 0/64} MD step = 386900 step time: 00:00:00.351005 Performance: 41.105 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:08:13,617 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 386900 77380 59.771 -31988 6551 -38539 -38539 -0.962 -20.685 0.37835 6.7587e+05 2024-05-18 16:08:48,952 INFO [main.py:798]
{rank 0/64} MD step = 387000 step time: 00:00:00.346184 Performance: 41.106 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:08:57,486 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387000 77400 60.648 -31747 6647 -38394 -38394 -0.9599 -20.686 0.37728 6.7607e+05 2024-05-18 16:09:32,504 INFO [main.py:798]
{rank 0/64} MD step = 387100 step time: 00:00:00.355338 Performance: 41.105 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:09:37,734 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387100 77420 60.488 -31763 6629.5 -38393 -38393 -0.95839 -20.688 0.37739 6.7627e+05 2024-05-18 16:10:12,706 INFO [main.py:798]
{rank 0/64} MD step = 387200 step time: 00:00:00.355136 Performance: 41.106 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:10:18,478 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 60.732 -31765 6656.3 -38421 -38421 -0.95732 -20.69 0.3768 6.7643e+05 2024-05-18 16:10:52,942 INFO [main.py:798]
{rank 0/64} MD step = 387300 step time: 00:00:00.342121 Performance: 41.106 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:10:58,318 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387300 77460 59.587 -31918 6530.8 -38448 -38448 -0.95716 -20.693 0.376 6.7664e+05 2024-05-18 16:11:33,596 INFO [main.py:798]
{rank 0/64} MD step = 387400 step time: 00:00:00.356162 Performance: 41.106 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:11:37,814 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387400 77480 59.726 -31879 6546 -38425 -38425 -0.95965 -20.696 0.37587 6.7681e+05 2024-05-18 16:12:13,224 INFO [main.py:798]
{rank 0/64} MD step = 387500 step time: 00:00:00.344900 Performance: 41.107 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:12:18,663 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387500 77500 61.002 -31764 6685.9 -38450 -38450 -0.96303 -20.698 0.376 6.7698e+05 2024-05-18 16:12:53,639 INFO [main.py:798]
{rank 0/64} MD step = 387600 step time: 00:00:00.352089 Performance: 41.107 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:13:01,535 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 59.687 -32001 6541.8 -38542 -38542 -0.96655 -20.701 0.37539 6.7717e+05 2024-05-18 16:13:36,587 INFO [main.py:798]
{rank 0/64} MD step = 387700 step time: 00:00:00.354376 Performance: 41.107 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:13:43,244 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387700 77540 60.122 -31848 6589.5 -38438 -38438 -0.97004 -20.703 0.37442 6.7738e+05 2024-05-18 16:14:17,971 INFO [main.py:798]
{rank 0/64} MD step = 387800 step time: 00:00:00.356185 Performance: 41.107 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:14:24,926 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387800 77560 59.502 -31945 6521.5 -38467 -38467 -0.97204 -20.707 0.37366 6.7754e+05 2024-05-18 16:15:00,894 INFO [main.py:798]
{rank 0/64} MD step = 387900 step time: 00:00:00.374441 Performance: 41.107 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:15:07,995 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387900 77580 60.209 -31768 6599 -38367 -38367 -0.97107 -20.709 0.37385 6.7772e+05 2024-05-18 16:15:43,874 INFO [main.py:798]
{rank 0/64} MD step = 388000 step time: 00:00:00.373622 Performance: 41.107 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:15:49,164 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 60.44 -31817 6624.3 -38441 -38441 -0.97049 -20.71 0.37225 6.7788e+05 2024-05-18 16:16:24,371 INFO [main.py:798]
{rank 0/64} MD step = 388100 step time: 00:00:00.352538 Performance: 41.107 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:16:30,227 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 388100 77620 60.674 -31645 6649.9 -38295 -38295 -0.97255 -20.714 0.37099 6.7808e+05 2024-05-18 16:17:05,732 INFO [main.py:798]
{rank 0/64} MD step = 388200 step time: 00:00:00.354957 Performance: 41.108 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:17:13,269 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 388200 77640 60.11 -31858 6588.1 -38446 -38446 -0.97188 -20.716 0.37222 6.7824e+05 2024-05-18 16:17:47,801 INFO [main.py:798]
{rank 0/64} MD step = 388300 step time: 00:00:00.347827 Performance: 41.108 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:17:52,856 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 59.534 -31764 6525 -38289 -38289 -0.97163 -20.717 0.37161 6.7843e+05 2024-05-18 16:18:28,303 INFO [main.py:798]
{rank 0/64} MD step = 388400 step time: 00:00:00.340999 Performance: 41.108 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:18:45,425 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 388400 77680 59.149 -31976 6482.8 -38459 -38459 -0.97227 -20.719 0.37229 6.7858e+05 2024-05-18 16:19:21,657 INFO [main.py:798]
{rank 0/64} MD step = 388500 step time: 00:00:00.371812 Performance: 41.105 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:19:26,940 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 388500 77700 60.283 -31668 6607 -38275 -38275 -0.97251 -20.722 0.37184 6.7878e+05 2024-05-18 16:20:01,757 INFO [main.py:798]
{rank 0/64} MD step = 388600 step time: 00:00:00.334939 Performance: 41.106 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:20:11,023 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 388600 77720 59.988 -31792 6574.8 -38367 -38367 -0.97145 -20.724 0.37099 6.7897e+05 2024-05-18 16:20:45,187 INFO [main.py:798]
{rank 0/64} MD step = 388700 step time: 00:00:00.343227 Performance: 41.105 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:20:50,139 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 388700 77740 59.936 -31977 6569.1 -38546 -38546 -0.97049 -20.727 0.37034 6.7909e+05 2024-05-18 16:21:26,353 INFO [main.py:798]
{rank 0/64} MD step = 388800 step time: 00:00:00.353251 Performance: 41.105 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:21:31,829 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 59.538 -31891 6525.4 -38417 -38417 -0.97164 -20.728 0.36998 6.793e+05 2024-05-18 16:22:06,378 INFO [main.py:798]
{rank 0/64} MD step = 388900 step time: 00:00:00.362359 Performance: 41.106 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:22:11,639 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 60.79 -31774 6662.7 -38437 -38437 -0.97346 -20.731 0.37069 6.7948e+05 2024-05-18 16:22:46,351 INFO [main.py:798]
{rank 0/64} MD step = 389000 step time: 00:00:00.352643 Performance: 41.106 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:22:52,233 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 60.378 -31980 6617.5 -38597 -38597 -0.97536 -20.732 0.3702 6.7964e+05 2024-05-18 16:23:27,296 INFO [main.py:798]
{rank 0/64} MD step = 389100 step time: 00:00:00.367049 Performance: 41.107 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:23:36,868 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389100 77820 59.694 -31917 6542.5 -38460 -38460 -0.97771 -20.735 0.36939 6.7985e+05 2024-05-18 16:24:11,387 INFO [main.py:798]
{rank 0/64} MD step = 389200 step time: 00:00:00.348894 Performance: 41.106 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:24:28,224 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 59.779 -31997 6551.9 -38549 -38549 -0.98115 -20.738 0.36793 6.7996e+05 2024-05-18 16:25:02,980 INFO [main.py:798]
{rank 0/64} MD step = 389300 step time: 00:00:00.343461 Performance: 41.104 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:25:09,079 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 60.055 -32044 6582.1 -38626 -38626 -0.98211 -20.74 0.36707 6.8018e+05 2024-05-18 16:25:43,660 INFO [main.py:798]
{rank 0/64} MD step = 389400 step time: 00:00:00.354935 Performance: 41.104 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:25:47,754 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389400 77880 60.957 -31877 6680.9 -38558 -38558 -0.98299 -20.743 0.36688 6.8038e+05 2024-05-18 16:26:25,215 INFO [main.py:798]
{rank 0/64} MD step = 389500 step time: 00:00:00.372422 Performance: 41.104 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:26:31,318 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389500 77900 60.518 -31959 6632.8 -38592 -38592 -0.98299 -20.744 0.36735 6.8054e+05 2024-05-18 16:27:06,096 INFO [main.py:798]
{rank 0/64} MD step = 389600 step time: 00:00:00.358277 Performance: 41.105 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:27:14,978 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389600 77920 59.552 -32033 6527 -38560 -38560 -0.98446 -20.747 0.36627 6.8074e+05 2024-05-18 16:27:52,314 INFO [main.py:798]
{rank 0/64} MD step = 389700 step time: 00:00:00.349355 Performance: 41.103 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:27:57,952 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389700 77940 60.057 -31852 6582.3 -38434 -38434 -0.98592 -20.75 0.36434 6.8095e+05 2024-05-18 16:28:32,620 INFO [main.py:798]
{rank 0/64} MD step = 389800 step time: 00:00:00.334571 Performance: 41.104 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:28:38,541 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 60.527 -31875 6633.9 -38509 -38509 -0.98764 -20.752 0.36241 6.8108e+05 2024-05-18 16:29:13,146 INFO [main.py:798]
{rank 0/64} MD step = 389900 step time: 00:00:00.353979 Performance: 41.104 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:29:18,607 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 60.06 -31937 6582.7 -38520 -38520 -0.98782 -20.755 0.36353 6.8125e+05 2024-05-18 16:29:54,736 INFO [main.py:798]
{rank 0/64} MD step = 390000 step time: 00:00:00.383484 Performance: 41.104 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:30:00,150 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390000 78000 59.245 -32079 6493.3 -38573 -38573 -0.98783 -20.757 0.36143 6.8141e+05 2024-05-18 16:30:35,271 INFO [main.py:798]
{rank 0/64} MD step = 390100 step time: 00:00:00.360139 Performance: 41.105 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:30:42,289 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 60.011 -31925 6577.3 -38502 -38502 -0.98569 -20.759 0.36029 6.816e+05 2024-05-18 16:31:17,267 INFO [main.py:798]
{rank 0/64} MD step = 390200 step time: 00:00:00.352422 Performance: 41.105 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:31:23,165 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 59.971 -31914 6572.9 -38486 -38486 -0.98546 -20.762 0.36012 6.8175e+05 2024-05-18 16:31:57,433 INFO [main.py:798]
{rank 0/64} MD step = 390300 step time: 00:00:00.344270 Performance: 41.105 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:32:03,111 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390300 78060 60.154 -31918 6593 -38511 -38511 -0.98548 -20.764 0.36093 6.8192e+05 2024-05-18 16:32:38,019 INFO [main.py:798]
{rank 0/64} MD step = 390400 step time: 00:00:00.351064 Performance: 41.106 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:32:42,260 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390400 78080 59.924 -31979 6567.7 -38547 -38547 -0.98607 -20.766 0.3584 6.8206e+05 2024-05-18 16:33:18,049 INFO [main.py:798]
{rank 0/64} MD step = 390500 step time: 00:00:00.359508 Performance: 41.106 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:33:25,581 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 59.708 -31998 6544 -38542 -38542 -0.9868 -20.768 0.35642 6.8226e+05 2024-05-18 16:33:59,886 INFO [main.py:798]
{rank 0/64} MD step = 390600 step time: 00:00:00.344198 Performance: 41.106 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:34:06,075 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390600 78120 59.365 -31888 6506.4 -38394 -38394 -0.98791 -20.77 0.35499 6.8245e+05 2024-05-18 16:34:41,540 INFO [main.py:798]
{rank 0/64} MD step = 390700 step time: 00:00:00.357090 Performance: 41.106 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:34:49,523 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 60.969 -31828 6682.3 -38510 -38510 -0.98949 -20.771 0.35548 6.8259e+05 2024-05-18 16:35:23,952 INFO [main.py:798]
{rank 0/64} MD step = 390800 step time: 00:00:00.353808 Performance: 41.106 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:35:29,781 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390800 78160 60.616 -31766 6643.5 -38409 -38409 -0.99168 -20.773 0.35592 6.8283e+05 2024-05-18 16:36:04,547 INFO [main.py:798]
{rank 0/64} MD step = 390900 step time: 00:00:00.346108 Performance: 41.107 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:36:10,939 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390900 78180 59.759 -31903 6549.6 -38453 -38453 -0.99541 -20.773 0.35736 6.8295e+05 2024-05-18 16:36:45,927 INFO [main.py:798]
{rank 0/64} MD step = 391000 step time: 00:00:00.377083 Performance: 41.107 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:36:52,487 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 60.052 -31956 6581.8 -38538 -38538 -0.99724 -20.776 0.35707 6.8314e+05 2024-05-18 16:37:26,896 INFO [main.py:798]
{rank 0/64} MD step = 391100 step time: 00:00:00.358373 Performance: 41.107 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:37:33,632 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 391100 78220 60.627 -31834 6644.7 -38479 -38479 -0.99752 -20.776 0.35785 6.8334e+05 2024-05-18 16:38:08,092 INFO [main.py:798]
{rank 0/64} MD step = 391200 step time: 00:00:00.342719 Performance: 41.107 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:38:15,003 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 59.096 -32168 6477 -38645 -38645 -0.99868 -20.78 0.35754 6.835e+05 2024-05-18 16:38:49,891 INFO [main.py:798]
{rank 0/64} MD step = 391300 step time: 00:00:00.378246 Performance: 41.107 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:38:58,275 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 60.696 -31882 6652.3 -38535 -38535 -0.99987 -20.781 0.35646 6.8368e+05 2024-05-18 16:39:33,263 INFO [main.py:798]
{rank 0/64} MD step = 391400 step time: 00:00:00.350219 Performance: 41.107 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:39:39,318 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 391400 78280 59.568 -32048 6528.8 -38577 -38577 -1.0014 -20.782 0.35573 6.8386e+05 2024-05-18 16:40:14,038 INFO [main.py:798]
{rank 0/64} MD step = 391500 step time: 00:00:00.351213 Performance: 41.107 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:40:20,011 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 60.683 -31735 6651 -38386 -38386 -1.003 -20.783 0.35608 6.8406e+05 2024-05-18 16:40:54,649 INFO [main.py:798]
{rank 0/64} MD step = 391600 step time: 00:00:00.355210 Performance: 41.108 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:41:00,036 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 60.413 -31845 6621.3 -38466 -38466 -1.0066 -20.785 0.3544 6.8418e+05 2024-05-18 16:41:35,611 INFO [main.py:798]
{rank 0/64} MD step = 391700 step time: 00:00:00.346137 Performance: 41.108 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:41:41,298 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 391700 78340 59.686 -32057 6541.7 -38598 -38598 -1.0107 -20.786 0.3544 6.8435e+05 2024-05-18 16:42:16,154 INFO [main.py:798]
{rank 0/64} MD step = 391800 step time: 00:00:00.338408 Performance: 41.108 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:42:32,720 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 391800 78360 60.023 -32174 6578.5 -38753 -38753 -1.0131 -20.788 0.35469 6.8446e+05 2024-05-18 16:43:07,273 INFO [main.py:798]
{rank 0/64} MD step = 391900 step time: 00:00:00.358893 Performance: 41.106 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:43:13,115 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 60.122 -31999 6589.5 -38588 -38588 -1.0146 -20.79 0.35372 6.8469e+05 2024-05-18 16:43:47,583 INFO [main.py:798]
{rank 0/64} MD step = 392000 step time: 00:00:00.349168 Performance: 41.106 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:43:55,919 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 392000 78400 59.746 -31953 6548.2 -38502 -38502 -1.0146 -20.792 0.35349 6.8485e+05 2024-05-18 16:44:30,463 INFO [main.py:798]
{rank 0/64} MD step = 392100 step time: 00:00:00.343115 Performance: 41.106 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:44:38,384 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 59.603 -31949 6532.6 -38482 -38482 -1.0151 -20.793 0.35267 6.8503e+05 2024-05-18 16:45:12,952 INFO [main.py:798]
{rank 0/64} MD step = 392200 step time: 00:00:00.341413 Performance: 41.106 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:45:19,954 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 392200 78440 60.123 -31899 6589.5 -38489 -38489 -1.0166 -20.795 0.3522 6.8524e+05 2024-05-18 16:45:55,278 INFO [main.py:798]
{rank 0/64} MD step = 392300 step time: 00:00:00.384248 Performance: 41.106 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:46:00,581 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 59.81 -31960 6555.2 -38515 -38515 -1.0191 -20.796 0.35143 6.8542e+05 2024-05-18 16:46:35,001 INFO [main.py:798]
{rank 0/64} MD step = 392400 step time: 00:00:00.353903 Performance: 41.107 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:46:41,931 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 392400 78480 59.391 -31973 6509.3 -38482 -38482 -1.0208 -20.797 0.35029 6.856e+05 2024-05-18 16:47:16,201 INFO [main.py:798]
{rank 0/64} MD step = 392500 step time: 00:00:00.337835 Performance: 41.107 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:47:24,523 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 392500 78500 60.117 -31919 6588.9 -38507 -38507 -1.0216 -20.799 0.35051 6.8576e+05 2024-05-18 16:47:59,118 INFO [main.py:798]
{rank 0/64} MD step = 392600 step time: 00:00:00.357122 Performance: 41.107 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:48:05,839 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 59.686 -32110 6541.7 -38652 -38652 -1.0242 -20.801 0.34977 6.8592e+05 2024-05-18 16:48:40,455 INFO [main.py:798]
{rank 0/64} MD step = 392700 step time: 00:00:00.352415 Performance: 41.107 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:48:51,694 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 392700 78540 59.73 -32037 6546.5 -38584 -38584 -1.0261 -20.803 0.35017 6.8614e+05 2024-05-18 16:49:25,168 INFO [main.py:798]
{rank 0/64} MD step = 392800 step time: 00:00:00.331499 Performance: 41.106 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:49:34,957 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 392800 78560 60.094 -31891 6586.4 -38477 -38477 -1.0294 -20.805 0.3497 6.8632e+05 2024-05-18 16:50:09,876 INFO [main.py:798]
{rank 0/64} MD step = 392900 step time: 00:00:00.336031 Performance: 41.105 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:50:16,312 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 392900 78580 60.601 -31784 6641.9 -38426 -38426 -1.0329 -20.807 0.34911 6.8647e+05 2024-05-18 16:50:52,258 INFO [main.py:798]
{rank 0/64} MD step = 393000 step time: 00:00:00.336826 Performance: 41.105 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:50:59,344 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393000 78600 59.265 -32144 6495.5 -38639 -38639 -1.0383 -20.811 0.34943 6.8662e+05 2024-05-18 16:51:34,288 INFO [main.py:798]
{rank 0/64} MD step = 393100 step time: 00:00:00.353051 Performance: 41.105 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:51:41,598 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393100 78620 59.858 -31919 6560.5 -38479 -38479 -1.0417 -20.811 0.3492 6.8682e+05 2024-05-18 16:52:17,472 INFO [main.py:798]
{rank 0/64} MD step = 393200 step time: 00:00:00.374563 Performance: 41.105 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:52:44,467 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393200 78640 60.425 -31686 6622.7 -38309 -38309 -1.0453 -20.812 0.34871 6.8699e+05 2024-05-18 16:53:18,521 INFO [main.py:798]
{rank 0/64} MD step = 393300 step time: 00:00:00.341713 Performance: 41.100 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 16:53:24,953 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 60.287 -31759 6607.5 -38367 -38367 -1.0472 -20.814 0.3506 6.8717e+05 2024-05-18 16:53:59,719 INFO [main.py:798]
{rank 0/64} MD step = 393400 step time: 00:00:00.330977 Performance: 41.101 ns/day 0.584 hours/ns 2.379 steps/s 2024-05-18 16:54:13,681 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393400 78680 59.229 -31944 6491.5 -38435 -38435 -1.0502 -20.818 0.34981 6.8736e+05 2024-05-18 16:54:48,474 INFO [main.py:798]
{rank 0/64} MD step = 393500 step time: 00:00:00.346603 Performance: 41.099 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 16:55:19,335 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393500 78700 59.86 -31918 6560.7 -38479 -38479 -1.0505 -20.819 0.35046 6.8752e+05 2024-05-18 16:55:53,914 INFO [main.py:798]
{rank 0/64} MD step = 393600 step time: 00:00:00.360431 Performance: 41.093 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 16:56:00,256 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393600 78720 60.363 -31806 6615.8 -38422 -38422 -1.0515 -20.821 0.35043 6.8772e+05 2024-05-18 16:56:34,772 INFO [main.py:798]
{rank 0/64} MD step = 393700 step time: 00:00:00.361610 Performance: 41.093 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 16:56:39,689 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393700 78740 60.992 -31822 6684.8 -38506 -38506 -1.0544 -20.823 0.3497 6.8788e+05 2024-05-18 16:57:15,075 INFO [main.py:798]
{rank 0/64} MD step = 393800 step time: 00:00:00.342003 Performance: 41.094 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 16:57:22,804 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393800 78760 60.05 -31987 6581.6 -38569 -38569 -1.0567 -20.826 0.34888 6.8803e+05 2024-05-18 16:57:57,184 INFO [main.py:798]
{rank 0/64} MD step = 393900 step time: 00:00:00.356538 Performance: 41.094 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 16:58:03,742 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393900 78780 59.362 -31947 6506.1 -38454 -38454 -1.0604 -20.828 0.34908 6.8822e+05 2024-05-18 16:58:41,027 INFO [main.py:798]
{rank 0/64} MD step = 394000 step time: 00:00:00.338532 Performance: 41.093 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 16:58:47,213 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394000 78800 60.204 -31887 6598.5 -38485 -38485 -1.0617 -20.831 0.35111 6.8841e+05 2024-05-18 16:59:21,778 INFO [main.py:798]
{rank 0/64} MD step = 394100 step time: 00:00:00.347230 Performance: 41.094 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 16:59:27,734 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394100 78820 60.161 -31880 6593.8 -38473 -38473 -1.0648 -20.832 0.35118 6.8859e+05 2024-05-18 17:00:02,404 INFO [main.py:798]
{rank 0/64} MD step = 394200 step time: 00:00:00.347280 Performance: 41.094 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:00:08,303 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 59.488 -31830 6520 -38350 -38350 -1.0667 -20.833 0.3518 6.8877e+05 2024-05-18 17:00:42,931 INFO [main.py:798]
{rank 0/64} MD step = 394300 step time: 00:00:00.361606 Performance: 41.094 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:00:50,499 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394300 78860 60.243 -31794 6602.7 -38397 -38397 -1.0717 -20.833 0.35337 6.8897e+05 2024-05-18 17:01:26,514 INFO [main.py:798]
{rank 0/64} MD step = 394400 step time: 00:00:00.379832 Performance: 41.094 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:01:35,436 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 59.931 -31906 6568.5 -38474 -38474 -1.0747 -20.835 0.35312 6.8912e+05 2024-05-18 17:02:09,892 INFO [main.py:798]
{rank 0/64} MD step = 394500 step time: 00:00:00.352281 Performance: 41.094 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:02:16,569 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394500 78900 60.391 -31964 6618.9 -38583 -38583 -1.0754 -20.837 0.35071 6.8927e+05 2024-05-18 17:02:52,014 INFO [main.py:798]
{rank 0/64} MD step = 394600 step time: 00:00:00.365744 Performance: 41.094 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:02:56,690 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394600 78920 59.775 -31792 6551.4 -38343 -38343 -1.0799 -20.839 0.35131 6.8947e+05 2024-05-18 17:03:33,300 INFO [main.py:798]
{rank 0/64} MD step = 394700 step time: 00:00:00.369818 Performance: 41.094 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:03:39,185 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 60.525 -32022 6633.6 -38656 -38656 -1.0832 -20.841 0.35183 6.896e+05 2024-05-18 17:04:14,070 INFO [main.py:798]
{rank 0/64} MD step = 394800 step time: 00:00:00.358540 Performance: 41.094 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:04:19,504 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 59.9 -31840 6565.1 -38405 -38405 -1.0855 -20.843 0.35285 6.8979e+05 2024-05-18 17:04:54,064 INFO [main.py:798]
{rank 0/64} MD step = 394900 step time: 00:00:00.350981 Performance: 41.095 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:04:59,856 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394900 78980 60.247 -31982 6603.1 -38585 -38585 -1.0839 -20.845 0.3532 6.8994e+05 2024-05-18 17:05:35,717 INFO [main.py:798]
{rank 0/64} MD step = 395000 step time: 00:00:00.346852 Performance: 41.095 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:05:41,121 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 60.021 -31970 6578.4 -38548 -38548 -1.0838 -20.848 0.35252 6.9013e+05 2024-05-18 17:06:16,044 INFO [main.py:798]
{rank 0/64} MD step = 395100 step time: 00:00:00.368559 Performance: 41.095 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:06:25,501 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 395100 79020 60.615 -31836 6643.4 -38479 -38479 -1.0861 -20.85 0.35119 6.9031e+05 2024-05-18 17:06:59,728 INFO [main.py:798]
{rank 0/64} MD step = 395200 step time: 00:00:00.355583 Performance: 41.095 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:07:16,840 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 59.982 -31761 6574.1 -38335 -38335 -1.0873 -20.852 0.35269 6.905e+05 2024-05-18 17:07:50,733 INFO [main.py:798]
{rank 0/64} MD step = 395300 step time: 00:00:00.348602 Performance: 41.093 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:07:58,594 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 59.346 -32123 6504.4 -38628 -38628 -1.0901 -20.852 0.3529 6.9065e+05 2024-05-18 17:08:32,487 INFO [main.py:798]
{rank 0/64} MD step = 395400 step time: 00:00:00.358360 Performance: 41.093 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:08:38,585 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 60.363 -31999 6615.8 -38614 -38614 -1.0908 -20.854 0.35288 6.9083e+05 2024-05-18 17:09:12,987 INFO [main.py:798]
{rank 0/64} MD step = 395500 step time: 00:00:00.338090 Performance: 41.093 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:09:18,132 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 60.137 -32008 6591 -38599 -38599 -1.0933 -20.856 0.35098 6.91e+05 2024-05-18 17:09:52,994 INFO [main.py:798]
{rank 0/64} MD step = 395600 step time: 00:00:00.331107 Performance: 41.094 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:09:58,883 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 395600 79120 61.422 -31694 6731.9 -38426 -38426 -1.0959 -20.858 0.3513 6.9125e+05 2024-05-18 17:10:34,166 INFO [main.py:798]
{rank 0/64} MD step = 395700 step time: 00:00:00.331927 Performance: 41.094 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:10:38,312 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 395700 79140 60.028 -32032 6579.2 -38611 -38611 -1.0996 -20.86 0.34961 6.914e+05 2024-05-18 17:11:14,363 INFO [main.py:798]
{rank 0/64} MD step = 395800 step time: 00:00:00.329289 Performance: 41.094 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:11:20,638 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 395800 79160 59.741 -31989 6547.7 -38537 -38537 -1.1028 -20.861 0.35027 6.9156e+05 2024-05-18 17:11:55,541 INFO [main.py:798]
{rank 0/64} MD step = 395900 step time: 00:00:00.332113 Performance: 41.094 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:12:02,384 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 395900 79180 59.663 -31970 6539.1 -38509 -38509 -1.1055 -20.863 0.35065 6.9175e+05 2024-05-18 17:12:37,567 INFO [main.py:798]
{rank 0/64} MD step = 396000 step time: 00:00:00.342576 Performance: 41.094 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:12:52,915 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396000 79200 60.564 -31817 6637.9 -38455 -38455 -1.1083 -20.864 0.35097 6.9191e+05 2024-05-18 17:13:27,586 INFO [main.py:798]
{rank 0/64} MD step = 396100 step time: 00:00:00.341419 Performance: 41.092 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:13:32,688 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396100 79220 60.421 -31833 6622.3 -38455 -38455 -1.1094 -20.864 0.34992 6.9207e+05 2024-05-18 17:14:08,475 INFO [main.py:798]
{rank 0/64} MD step = 396200 step time: 00:00:00.370850 Performance: 41.093 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:14:14,391 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 58.966 -32051 6462.7 -38514 -38514 -1.1107 -20.866 0.35011 6.9221e+05 2024-05-18 17:14:49,122 INFO [main.py:798]
{rank 0/64} MD step = 396300 step time: 00:00:00.334275 Performance: 41.093 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:14:56,935 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 58.878 -32050 6453.1 -38503 -38503 -1.1126 -20.87 0.35072 6.924e+05 2024-05-18 17:15:33,660 INFO [main.py:798]
{rank 0/64} MD step = 396400 step time: 00:00:00.333863 Performance: 41.092 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:15:39,980 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396400 79280 59.575 -32055 6529.5 -38584 -38584 -1.114 -20.873 0.34783 6.9256e+05 2024-05-18 17:16:14,346 INFO [main.py:798]
{rank 0/64} MD step = 396500 step time: 00:00:00.333057 Performance: 41.093 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:16:20,325 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396500 79300 60.493 -31907 6630.1 -38537 -38537 -1.1175 -20.875 0.34696 6.9275e+05 2024-05-18 17:16:54,449 INFO [main.py:798]
{rank 0/64} MD step = 396600 step time: 00:00:00.329279 Performance: 41.093 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:17:00,881 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396600 79320 60.214 -32033 6599.5 -38632 -38632 -1.119 -20.877 0.34431 6.9291e+05 2024-05-18 17:17:35,392 INFO [main.py:798]
{rank 0/64} MD step = 396700 step time: 00:00:00.329828 Performance: 41.094 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:17:40,901 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396700 79340 60.776 -31876 6661.2 -38537 -38537 -1.1203 -20.88 0.34351 6.931e+05 2024-05-18 17:18:16,586 INFO [main.py:798]
{rank 0/64} MD step = 396800 step time: 00:00:00.338124 Performance: 41.094 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:18:24,824 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 58.925 -32068 6458.3 -38526 -38526 -1.1213 -20.883 0.34223 6.9329e+05 2024-05-18 17:18:59,613 INFO [main.py:798]
{rank 0/64} MD step = 396900 step time: 00:00:00.358788 Performance: 41.094 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:19:06,040 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396900 79380 60.604 -31909 6642.3 -38551 -38551 -1.1262 -20.884 0.34309 6.9347e+05 2024-05-18 17:19:40,600 INFO [main.py:798]
{rank 0/64} MD step = 397000 step time: 00:00:00.342083 Performance: 41.094 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:19:46,238 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397000 79400 59.916 -31908 6566.8 -38475 -38475 -1.1292 -20.885 0.34471 6.9364e+05 2024-05-18 17:20:20,980 INFO [main.py:798]
{rank 0/64} MD step = 397100 step time: 00:00:00.353398 Performance: 41.094 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:20:26,038 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397100 79420 60.198 -31860 6597.8 -38458 -38458 -1.1289 -20.887 0.34429 6.9384e+05 2024-05-18 17:21:00,754 INFO [main.py:798]
{rank 0/64} MD step = 397200 step time: 00:00:00.339341 Performance: 41.095 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:21:08,287 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 60.432 -32048 6623.4 -38671 -38671 -1.1308 -20.889 0.34426 6.9396e+05 2024-05-18 17:21:46,752 INFO [main.py:798]
{rank 0/64} MD step = 397300 step time: 00:00:00.333814 Performance: 41.094 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:21:55,696 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397300 79460 60.155 -32083 6593.1 -38676 -38676 -1.1328 -20.891 0.34486 6.9414e+05 2024-05-18 17:22:31,314 INFO [main.py:798]
{rank 0/64} MD step = 397400 step time: 00:00:00.351076 Performance: 41.093 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:22:36,506 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397400 79480 59.935 -31928 6569 -38497 -38497 -1.1373 -20.893 0.34437 6.9434e+05 2024-05-18 17:23:11,348 INFO [main.py:798]
{rank 0/64} MD step = 397500 step time: 00:00:00.344322 Performance: 41.094 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:23:19,768 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397500 79500 60.263 -31917 6604.9 -38522 -38522 -1.1399 -20.896 0.34349 6.9451e+05 2024-05-18 17:23:55,497 INFO [main.py:798]
{rank 0/64} MD step = 397600 step time: 00:00:00.369860 Performance: 41.093 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:24:01,275 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397600 79520 60.219 -31926 6600 -38526 -38526 -1.1411 -20.898 0.3452 6.947e+05 2024-05-18 17:24:35,711 INFO [main.py:798]
{rank 0/64} MD step = 397700 step time: 00:00:00.350227 Performance: 41.094 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:24:42,060 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397700 79540 60.914 -32004 6676.3 -38680 -38680 -1.143 -20.9 0.34501 6.9486e+05 2024-05-18 17:25:16,755 INFO [main.py:798]
{rank 0/64} MD step = 397800 step time: 00:00:00.363315 Performance: 41.094 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:25:24,312 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397800 79560 59.53 -32041 6524.6 -38565 -38565 -1.142 -20.902 0.34432 6.9501e+05 2024-05-18 17:25:59,566 INFO [main.py:798]
{rank 0/64} MD step = 397900 step time: 00:00:00.356429 Performance: 41.094 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:26:08,461 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397900 79580 59.812 -32120 6555.4 -38676 -38676 -1.1403 -20.903 0.34248 6.9517e+05 2024-05-18 17:26:43,743 INFO [main.py:798]
{rank 0/64} MD step = 398000 step time: 00:00:00.339320 Performance: 41.093 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:26:52,090 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398000 79600 60.834 -31895 6667.5 -38562 -38562 -1.139 -20.905 0.34032 6.9539e+05 2024-05-18 17:27:26,544 INFO [main.py:798]
{rank 0/64} MD step = 398100 step time: 00:00:00.365448 Performance: 41.093 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:27:35,249 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398100 79620 60.175 -31994 6595.3 -38590 -38590 -1.1398 -20.906 0.3393 6.9556e+05 2024-05-18 17:28:09,850 INFO [main.py:798]
{rank 0/64} MD step = 398200 step time: 00:00:00.343804 Performance: 41.093 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:28:16,209 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398200 79640 60.25 -31870 6603.5 -38474 -38474 -1.1407 -20.906 0.33869 6.9576e+05 2024-05-18 17:28:50,874 INFO [main.py:798]
{rank 0/64} MD step = 398300 step time: 00:00:00.339562 Performance: 41.093 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:28:56,451 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398300 79660 59.013 -31949 6467.8 -38417 -38417 -1.1406 -20.907 0.33893 6.9596e+05 2024-05-18 17:29:31,364 INFO [main.py:798]
{rank 0/64} MD step = 398400 step time: 00:00:00.357274 Performance: 41.093 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:29:37,139 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398400 79680 60.365 -31876 6616.1 -38492 -38492 -1.1417 -20.908 0.33775 6.961e+05 2024-05-18 17:30:11,661 INFO [main.py:798]
{rank 0/64} MD step = 398500 step time: 00:00:00.351253 Performance: 41.094 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:30:21,196 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398500 79700 59.872 -31995 6562 -38557 -38557 -1.145 -20.911 0.33726 6.9629e+05 2024-05-18 17:30:57,772 INFO [main.py:798]
{rank 0/64} MD step = 398600 step time: 00:00:00.338878 Performance: 41.093 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:31:04,806 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 60.469 -31956 6627.5 -38583 -38583 -1.1477 -20.913 0.33709 6.9643e+05 2024-05-18 17:31:39,676 INFO [main.py:798]
{rank 0/64} MD step = 398700 step time: 00:00:00.343625 Performance: 41.093 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:31:46,202 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398700 79740 58.632 -31980 6426.1 -38406 -38406 -1.15 -20.915 0.3386 6.9662e+05 2024-05-18 17:32:20,746 INFO [main.py:798]
{rank 0/64} MD step = 398800 step time: 00:00:00.351791 Performance: 41.093 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:32:26,486 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 61.032 -31731 6689.1 -38420 -38420 -1.1501 -20.917 0.33796 6.9678e+05 2024-05-18 17:33:01,871 INFO [main.py:798]
{rank 0/64} MD step = 398900 step time: 00:00:00.351043 Performance: 41.093 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:33:07,405 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 58.87 -32118 6452.3 -38570 -38570 -1.1503 -20.918 0.3378 6.9693e+05 2024-05-18 17:33:43,265 INFO [main.py:798]
{rank 0/64} MD step = 399000 step time: 00:00:00.373102 Performance: 41.093 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:33:49,455 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 59.981 -32038 6574 -38612 -38612 -1.1509 -20.92 0.33775 6.9708e+05 2024-05-18 17:34:24,060 INFO [main.py:798]
{rank 0/64} MD step = 399100 step time: 00:00:00.348894 Performance: 41.094 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:34:30,752 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 399100 79820 60.086 -31820 6585.5 -38406 -38406 -1.1513 -20.922 0.33909 6.973e+05 2024-05-18 17:35:05,196 INFO [main.py:798]
{rank 0/64} MD step = 399200 step time: 00:00:00.343829 Performance: 41.094 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:35:13,933 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 60.647 -31663 6647 -38310 -38310 -1.1505 -20.925 0.33846 6.9745e+05 2024-05-18 17:35:48,924 INFO [main.py:798]
{rank 0/64} MD step = 399300 step time: 00:00:00.373956 Performance: 41.094 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:36:08,380 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 60.326 -31890 6611.8 -38502 -38502 -1.152 -20.927 0.3365 6.9759e+05 2024-05-18 17:36:44,143 INFO [main.py:798]
{rank 0/64} MD step = 399400 step time: 00:00:00.352643 Performance: 41.090 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:37:00,182 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 399400 79880 60.495 -31856 6630.4 -38487 -38487 -1.1518 -20.929 0.33604 6.978e+05 2024-05-18 17:37:34,784 INFO [main.py:798]
{rank 0/64} MD step = 399500 step time: 00:00:00.351441 Performance: 41.088 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:37:43,390 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 399500 79900 59.969 -31985 6572.7 -38558 -38558 -1.1529 -20.929 0.33472 6.9796e+05 2024-05-18 17:38:19,910 INFO [main.py:798]
{rank 0/64} MD step = 399600 step time: 00:00:00.350539 Performance: 41.087 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:38:26,861 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 59.874 -31942 6562.2 -38504 -38504 -1.1534 -20.929 0.33396 6.9814e+05 2024-05-18 17:39:01,587 INFO [main.py:798]
{rank 0/64} MD step = 399700 step time: 00:00:00.334152 Performance: 41.088 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:39:14,767 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 61.157 -31787 6702.9 -38490 -38490 -1.155 -20.93 0.33369 6.9831e+05 2024-05-18 17:39:49,350 INFO [main.py:798]
{rank 0/64} MD step = 399800 step time: 00:00:00.349465 Performance: 41.086 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:39:55,586 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 399800 79960 60.701 -31798 6652.9 -38450 -38450 -1.1586 -20.93 0.33282 6.9851e+05 2024-05-18 17:40:32,470 INFO [main.py:798]
{rank 0/64} MD step = 399900 step time: 00:00:00.344759 Performance: 41.086 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:40:41,016 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 60.367 -31996 6616.3 -38613 -38613 -1.1628 -20.933 0.33276 6.9865e+05 2024-05-18 17:41:15,813 INFO [main.py:798]
{rank 0/64} MD step = 400000 step time: 00:00:00.355469 Performance: 41.086 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:41:21,990 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400000 80000 59.259 -31975 6494.9 -38469 -38469 -1.1653 -20.936 0.3335 6.9885e+05 2024-05-18 17:41:56,873 INFO [main.py:798]
{rank 0/64} MD step = 400100 step time: 00:00:00.350739 Performance: 41.086 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:42:03,090 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400100 80020 60.184 -31851 6596.3 -38448 -38448 -1.1667 -20.938 0.33262 6.9902e+05 2024-05-18 17:42:37,902 INFO [main.py:798]
{rank 0/64} MD step = 400200 step time: 00:00:00.350004 Performance: 41.086 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:42:44,610 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400200 80040 60.469 -31833 6627.5 -38461 -38461 -1.1668 -20.941 0.33137 6.992e+05 2024-05-18 17:43:19,196 INFO [main.py:798]
{rank 0/64} MD step = 400300 step time: 00:00:00.338266 Performance: 41.086 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:43:24,415 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 60.014 -31860 6577.6 -38438 -38438 -1.1649 -20.945 0.33192 6.9935e+05 2024-05-18 17:43:59,607 INFO [main.py:798]
{rank 0/64} MD step = 400400 step time: 00:00:00.354838 Performance: 41.087 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:44:07,913 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400400 80080 59.959 -31911 6571.5 -38483 -38483 -1.1631 -20.946 0.33105 6.9953e+05 2024-05-18 17:44:44,391 INFO [main.py:798]
{rank 0/64} MD step = 400500 step time: 00:00:00.374184 Performance: 41.086 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:44:50,853 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 59.554 -31801 6527.2 -38328 -38328 -1.1621 -20.948 0.33148 6.9972e+05 2024-05-18 17:45:26,470 INFO [main.py:798]
{rank 0/64} MD step = 400600 step time: 00:00:00.353631 Performance: 41.086 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:45:32,883 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400600 80120 60.738 -31800 6656.9 -38457 -38457 -1.1645 -20.95 0.33019 6.9988e+05 2024-05-18 17:46:07,728 INFO [main.py:798]
{rank 0/64} MD step = 400700 step time: 00:00:00.355478 Performance: 41.086 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:46:13,606 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400700 80140 60.32 -31674 6611.1 -38285 -38285 -1.1665 -20.952 0.33097 7.0011e+05 2024-05-18 17:46:49,216 INFO [main.py:798]
{rank 0/64} MD step = 400800 step time: 00:00:00.348836 Performance: 41.086 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:46:59,534 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400800 80160 60.502 -31676 6631.1 -38307 -38307 -1.1695 -20.953 0.33022 7.0029e+05 2024-05-18 17:47:34,008 INFO [main.py:798]
{rank 0/64} MD step = 400900 step time: 00:00:00.357652 Performance: 41.086 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:47:40,205 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400900 80180 59.881 -31827 6563 -38390 -38390 -1.1696 -20.956 0.32985 7.0043e+05 2024-05-18 17:48:15,676 INFO [main.py:798]
{rank 0/64} MD step = 401000 step time: 00:00:00.375612 Performance: 41.086 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:48:21,565 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 59.995 -31897 6575.6 -38473 -38473 -1.1683 -20.957 0.32867 7.0061e+05 2024-05-18 17:48:55,527 INFO [main.py:798]
{rank 0/64} MD step = 401100 step time: 00:00:00.339098 Performance: 41.086 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:49:01,105 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 58.813 -31945 6445.9 -38391 -38391 -1.166 -20.958 0.32832 7.0077e+05 2024-05-18 17:49:36,328 INFO [main.py:798]
{rank 0/64} MD step = 401200 step time: 00:00:00.361838 Performance: 41.087 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:49:45,816 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 401200 80240 59.955 -31871 6571.1 -38442 -38442 -1.1641 -20.957 0.32698 7.0094e+05 2024-05-18 17:50:20,514 INFO [main.py:798]
{rank 0/64} MD step = 401300 step time: 00:00:00.346600 Performance: 41.086 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:50:26,215 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 401300 80260 60.388 -31880 6618.6 -38499 -38499 -1.1612 -20.958 0.32701 7.0113e+05 2024-05-18 17:51:01,749 INFO [main.py:798]
{rank 0/64} MD step = 401400 step time: 00:00:00.343863 Performance: 41.086 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:51:07,719 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 401400 80280 60.539 -31845 6635.1 -38480 -38480 -1.1587 -20.958 0.32733 7.0128e+05 2024-05-18 17:51:42,455 INFO [main.py:798]
{rank 0/64} MD step = 401500 step time: 00:00:00.343649 Performance: 41.087 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:51:49,319 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 59.562 -31869 6528.1 -38397 -38397 -1.1568 -20.958 0.32717 7.0148e+05 2024-05-18 17:52:23,595 INFO [main.py:798]
{rank 0/64} MD step = 401600 step time: 00:00:00.352395 Performance: 41.087 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:52:31,681 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 59.975 -31818 6573.3 -38391 -38391 -1.1544 -20.958 0.32739 7.0167e+05 2024-05-18 17:53:05,848 INFO [main.py:798]
{rank 0/64} MD step = 401700 step time: 00:00:00.339396 Performance: 41.087 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:53:15,930 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 60.152 -31815 6592.7 -38408 -38408 -1.1565 -20.96 0.32838 7.0184e+05 2024-05-18 17:53:50,051 INFO [main.py:798]
{rank 0/64} MD step = 401800 step time: 00:00:00.326059 Performance: 41.086 ns/day 0.584 hours/ns 2.378 steps/s 2024-05-18 17:54:28,032 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 401800 80360 60.981 -31781 6683.6 -38464 -38464 -1.1577 -20.962 0.3277 7.02e+05 2024-05-18 17:55:02,029 INFO [main.py:798]
{rank 0/64} MD step = 401900 step time: 00:00:00.327736 Performance: 41.079 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 17:55:12,255 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 60.23 -31877 6601.3 -38479 -38479 -1.158 -20.964 0.32636 7.0217e+05 2024-05-18 17:55:47,988 INFO [main.py:798]
{rank 0/64} MD step = 402000 step time: 00:00:00.363641 Performance: 41.078 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 17:55:57,748 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 402000 80400 60.112 -31773 6588.4 -38361 -38361 -1.1582 -20.965 0.32484 7.0239e+05 2024-05-18 17:56:32,827 INFO [main.py:798]
{rank 0/64} MD step = 402100 step time: 00:00:00.382786 Performance: 41.077 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 17:56:40,591 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 60.303 -31755 6609.3 -38364 -38364 -1.1586 -20.968 0.32392 7.0257e+05 2024-05-18 17:57:15,098 INFO [main.py:798]
{rank 0/64} MD step = 402200 step time: 00:00:00.346158 Performance: 41.077 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 17:57:22,313 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 60.063 -31959 6582.9 -38542 -38542 -1.161 -20.969 0.3236 7.027e+05 2024-05-18 17:57:56,782 INFO [main.py:798]
{rank 0/64} MD step = 402300 step time: 00:00:00.365708 Performance: 41.077 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 17:58:08,837 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 402300 80460 59.745 -31983 6548.1 -38531 -38531 -1.1607 -20.971 0.32219 7.0288e+05 2024-05-18 17:58:43,613 INFO [main.py:798]
{rank 0/64} MD step = 402400 step time: 00:00:00.350946 Performance: 41.076 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 17:58:50,495 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 402400 80480 60.497 -31687 6630.5 -38317 -38317 -1.159 -20.973 0.32249 7.0308e+05 2024-05-18 17:59:25,883 INFO [main.py:798]
{rank 0/64} MD step = 402500 step time: 00:00:00.356934 Performance: 41.076 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 17:59:34,886 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 60.225 -31736 6600.7 -38337 -38337 -1.1587 -20.974 0.3215 7.0329e+05 2024-05-18 18:00:09,062 INFO [main.py:798]
{rank 0/64} MD step = 402600 step time: 00:00:00.349513 Performance: 41.076 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 18:00:18,362 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 402600 80520 59.314 -31895 6500.9 -38395 -38395 -1.1575 -20.977 0.32313 7.0348e+05 2024-05-18 18:00:54,416 INFO [main.py:798]
{rank 0/64} MD step = 402700 step time: 00:00:00.352165 Performance: 41.075 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 18:01:05,993 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 60.242 -31816 6602.6 -38419 -38419 -1.1572 -20.978 0.32468 7.0365e+05 2024-05-18 18:01:40,051 INFO [main.py:798]
{rank 0/64} MD step = 402800 step time: 00:00:00.347848 Performance: 41.074 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 18:01:46,172 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 402800 80560 60.057 -31843 6582.3 -38426 -38426 -1.1569 -20.979 0.32556 7.0382e+05 2024-05-18 18:02:21,551 INFO [main.py:798]
{rank 0/64} MD step = 402900 step time: 00:00:00.378473 Performance: 41.074 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 18:02:27,948 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 60.541 -31788 6635.4 -38424 -38424 -1.1562 -20.981 0.32555 7.0399e+05 2024-05-18 18:03:02,901 INFO [main.py:798]
{rank 0/64} MD step = 403000 step time: 00:00:00.351476 Performance: 41.075 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 18:03:08,792 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 59.851 -31870 6559.7 -38430 -38430 -1.1552 -20.984 0.32672 7.0418e+05 2024-05-18 18:03:44,985 INFO [main.py:798]
{rank 0/64} MD step = 403100 step time: 00:00:00.355073 Performance: 41.075 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 18:03:51,270 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 59.715 -31912 6544.8 -38457 -38457 -1.1548 -20.985 0.32512 7.0432e+05 2024-05-18 18:04:26,176 INFO [main.py:798]
{rank 0/64} MD step = 403200 step time: 00:00:00.342241 Performance: 41.075 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 18:04:32,669 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 60.074 -31920 6584.1 -38505 -38505 -1.1544 -20.988 0.32508 7.0451e+05 2024-05-18 18:05:07,284 INFO [main.py:798]
{rank 0/64} MD step = 403300 step time: 00:00:00.343268 Performance: 41.075 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 18:05:13,669 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 403300 80660 59.487 -31793 6519.8 -38312 -38312 -1.1572 -20.99 0.32337 7.0471e+05 2024-05-18 18:05:49,117 INFO [main.py:798]
{rank 0/64} MD step = 403400 step time: 00:00:00.353519 Performance: 41.075 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 18:05:57,897 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 403400 80680 59.93 -31797 6568.4 -38366 -38366 -1.1582 -20.991 0.3235 7.0489e+05 2024-05-18 18:06:33,639 INFO [main.py:798]
{rank 0/64} MD step = 403500 step time: 00:00:00.375992 Performance: 41.074 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 18:06:39,992 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 403500 80700 60.481 -31831 6628.7 -38460 -38460 -1.157 -20.993 0.32263 7.0504e+05 2024-05-18 18:07:14,562 INFO [main.py:798]
{rank 0/64} MD step = 403600 step time: 00:00:00.376072 Performance: 41.075 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 18:07:22,796 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 403600 80720 60.217 -31850 6599.8 -38450 -38450 -1.1583 -20.996 0.32345 7.052e+05 2024-05-18 18:07:57,593 INFO [main.py:798]
{rank 0/64} MD step = 403700 step time: 00:00:00.353234 Performance: 41.075 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 18:08:04,424 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 60.076 -31934 6584.4 -38518 -38518 -1.1584 -20.999 0.32318 7.0538e+05 2024-05-18 18:08:38,818 INFO [main.py:798]
{rank 0/64} MD step = 403800 step time: 00:00:00.345356 Performance: 41.075 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 18:08:48,349 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 403800 80760 60.323 -31797 6611.5 -38408 -38408 -1.1572 -21.001 0.32322 7.0556e+05 2024-05-18 18:09:22,872 INFO [main.py:798]
{rank 0/64} MD step = 403900 step time: 00:00:00.351236 Performance: 41.074 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 18:09:32,446 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 60.34 -31777 6613.3 -38390 -38390 -1.158 -21 0.32352 7.0571e+05 2024-05-18 18:10:08,660 INFO [main.py:798]
{rank 0/64} MD step = 404000 step time: 00:00:00.367199 Performance: 41.073 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 18:10:16,778 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 404000 80800 59.566 -31983 6528.5 -38512 -38512 -1.1586 -21.001 0.32206 7.0587e+05 2024-05-18 18:10:51,648 INFO [main.py:798]
{rank 0/64} MD step = 404100 step time: 00:00:00.353912 Performance: 41.073 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 18:11:02,473 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 404100 80820 60.866 -31809 6671 -38480 -38480 -1.16 -21.003 0.32192 7.0607e+05 2024-05-18 18:11:37,458 INFO [main.py:798]
{rank 0/64} MD step = 404200 step time: 00:00:00.352722 Performance: 41.072 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 18:11:47,851 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 59.936 -31905 6569 -38474 -38474 -1.1622 -21.005 0.3212 7.0625e+05 2024-05-18 18:12:22,477 INFO [main.py:798]
{rank 0/64} MD step = 404300 step time: 00:00:00.333120 Performance: 41.072 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 18:12:31,123 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 60.035 -32011 6579.9 -38591 -38591 -1.1626 -21.007 0.32131 7.0638e+05 2024-05-18 18:13:05,855 INFO [main.py:798]
{rank 0/64} MD step = 404400 step time: 00:00:00.348276 Performance: 41.071 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 18:13:13,016 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 404400 80880 59.903 -31903 6565.5 -38469 -38469 -1.1606 -21.008 0.3199 7.0657e+05 2024-05-18 18:13:46,971 INFO [main.py:798]
{rank 0/64} MD step = 404500 step time: 00:00:00.378150 Performance: 41.071 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 18:13:54,680 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 404500 80900 59.996 -32071 6575.7 -38647 -38647 -1.1592 -21.01 0.31994 7.0671e+05 2024-05-18 18:14:28,599 INFO [main.py:798]
{rank 0/64} MD step = 404600 step time: 00:00:00.347789 Performance: 41.072 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 18:14:37,207 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 404600 80920 60.073 -32004 6584 -38588 -38588 -1.1589 -21.011 0.31815 7.069e+05 2024-05-18 18:15:12,985 INFO [main.py:798]
{rank 0/64} MD step = 404700 step time: 00:00:00.386423 Performance: 41.071 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 18:15:21,138 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 59.428 -32025 6513.4 -38538 -38538 -1.1586 -21.011 0.31653 7.071e+05 2024-05-18 18:15:55,696 INFO [main.py:798]
{rank 0/64} MD step = 404800 step time: 00:00:00.336877 Performance: 41.071 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 18:16:01,004 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 59.596 -32040 6531.7 -38572 -38572 -1.1574 -21.012 0.31524 7.0723e+05 2024-05-18 18:16:35,857 INFO [main.py:798]
{rank 0/64} MD step = 404900 step time: 00:00:00.346597 Performance: 41.071 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 18:16:41,682 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 59.23 -31948 6491.7 -38440 -38440 -1.1552 -21.014 0.31301 7.0743e+05 2024-05-18 18:17:16,808 INFO [main.py:798]
{rank 0/64} MD step = 405000 step time: 00:00:00.356823 Performance: 41.072 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 18:17:26,782 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 405000 81000 60.102 -32013 6587.3 -38600 -38600 -1.1528 -21.015 0.31226 7.0756e+05 2024-05-18 18:18:02,481 INFO [main.py:798]
{rank 0/64} MD step = 405100 step time: 00:00:00.373159 Performance: 41.071 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 18:18:08,762 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 60.923 -31715 6677.2 -38392 -38392 -1.1525 -21.018 0.31055 7.0777e+05 2024-05-18 18:18:45,013 INFO [main.py:798]
{rank 0/64} MD step = 405200 step time: 00:00:00.356171 Performance: 41.071 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 18:18:54,364 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 405200 81040 60.383 -31975 6618.1 -38593 -38593 -1.1511 -21.02 0.30973 7.0791e+05 2024-05-18 18:19:29,075 INFO [main.py:798]
{rank 0/64} MD step = 405300 step time: 00:00:00.344313 Performance: 41.070 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 18:19:40,164 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 60.189 -31915 6596.8 -38512 -38512 -1.1516 -21.022 0.30802 7.0812e+05 2024-05-18 18:20:15,402 INFO [main.py:798]
{rank 0/64} MD step = 405400 step time: 00:00:00.352663 Performance: 41.069 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 18:20:24,639 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 405400 81080 60.302 -31883 6609.2 -38492 -38492 -1.1518 -21.023 0.30847 7.0826e+05 2024-05-18 18:20:59,237 INFO [main.py:798]
{rank 0/64} MD step = 405500 step time: 00:00:00.344899 Performance: 41.069 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 18:21:13,573 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 405500 81100 60.433 -31988 6623.5 -38611 -38611 -1.1519 -21.025 0.31015 7.0842e+05 2024-05-18 18:21:49,632 INFO [main.py:798]
{rank 0/64} MD step = 405600 step time: 00:00:00.379892 Performance: 41.067 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 18:21:55,438 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 405600 81120 60.465 -31765 6627 -38392 -38392 -1.1541 -21.027 0.31052 7.086e+05 2024-05-18 18:22:30,588 INFO [main.py:798]
{rank 0/64} MD step = 405700 step time: 00:00:00.376723 Performance: 41.067 ns/day 0.584 hours/ns 2.377 steps/s 2024-05-18 18:22:47,532 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 59.808 -31835 6555 -38390 -38390 -1.1561 -21.03 0.30942 7.088e+05 2024-05-18 18:23:22,370 INFO [main.py:798]
{rank 0/64} MD step = 405800 step time: 00:00:00.378648 Performance: 41.065 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:23:28,937 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 59.249 -32073 6493.8 -38567 -38567 -1.1574 -21.032 0.30942 7.0895e+05 2024-05-18 18:24:03,410 INFO [main.py:798]
{rank 0/64} MD step = 405900 step time: 00:00:00.344829 Performance: 41.065 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:24:20,894 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 59.655 -31930 6538.3 -38468 -38468 -1.1577 -21.034 0.30914 7.0912e+05 2024-05-18 18:24:54,903 INFO [main.py:798]
{rank 0/64} MD step = 406000 step time: 00:00:00.345645 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:25:01,255 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 59.869 -32121 6561.7 -38682 -38682 -1.1545 -21.035 0.31035 7.0928e+05 2024-05-18 18:25:36,642 INFO [main.py:798]
{rank 0/64} MD step = 406100 step time: 00:00:00.382058 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:25:42,441 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 406100 81220 60 -31835 6576 -38411 -38411 -1.1538 -21.038 0.30986 7.0946e+05 2024-05-18 18:26:17,637 INFO [main.py:798]
{rank 0/64} MD step = 406200 step time: 00:00:00.352684 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:26:29,338 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 60.342 -31757 6613.6 -38370 -38370 -1.1537 -21.039 0.31091 7.0964e+05 2024-05-18 18:27:03,309 INFO [main.py:798]
{rank 0/64} MD step = 406300 step time: 00:00:00.352772 Performance: 41.062 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:27:13,132 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 406300 81260 59.678 -31853 6540.8 -38394 -38394 -1.152 -21.04 0.3104 7.0983e+05 2024-05-18 18:27:46,805 INFO [main.py:798]
{rank 0/64} MD step = 406400 step time: 00:00:00.368035 Performance: 41.062 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:27:53,999 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 406400 81280 60.348 -31787 6614.2 -38402 -38402 -1.1489 -21.042 0.30937 7.0999e+05 2024-05-18 18:28:28,224 INFO [main.py:798]
{rank 0/64} MD step = 406500 step time: 00:00:00.353649 Performance: 41.062 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:28:33,665 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 60.065 -31849 6583.2 -38433 -38433 -1.1511 -21.045 0.30943 7.1017e+05 2024-05-18 18:29:08,530 INFO [main.py:798]
{rank 0/64} MD step = 406600 step time: 00:00:00.364544 Performance: 41.062 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:29:15,345 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 406600 81320 60.274 -31832 6606.1 -38438 -38438 -1.1515 -21.047 0.30947 7.1034e+05 2024-05-18 18:29:50,198 INFO [main.py:798]
{rank 0/64} MD step = 406700 step time: 00:00:00.356570 Performance: 41.062 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:29:56,312 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 59.908 -32044 6565.9 -38610 -38610 -1.153 -21.051 0.30933 7.1049e+05 2024-05-18 18:30:30,863 INFO [main.py:798]
{rank 0/64} MD step = 406800 step time: 00:00:00.343034 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:30:37,907 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 59.868 -31957 6561.6 -38519 -38519 -1.1532 -21.054 0.30792 7.1068e+05 2024-05-18 18:31:13,403 INFO [main.py:798]
{rank 0/64} MD step = 406900 step time: 00:00:00.353753 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:31:20,687 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 59.7 -32017 6543.2 -38560 -38560 -1.1546 -21.055 0.30865 7.1082e+05 2024-05-18 18:31:55,776 INFO [main.py:798]
{rank 0/64} MD step = 407000 step time: 00:00:00.356054 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:32:02,465 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 60.435 -31857 6623.8 -38481 -38481 -1.1553 -21.058 0.30916 7.1103e+05 2024-05-18 18:32:36,784 INFO [main.py:798]
{rank 0/64} MD step = 407100 step time: 00:00:00.365253 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:32:42,755 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 60.599 -31799 6641.8 -38441 -38441 -1.1576 -21.06 0.30947 7.1123e+05 2024-05-18 18:33:19,785 INFO [main.py:798]
{rank 0/64} MD step = 407200 step time: 00:00:00.378930 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:33:26,077 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 407200 81440 60.195 -31877 6597.4 -38475 -38475 -1.1587 -21.061 0.3095 7.1141e+05 2024-05-18 18:34:00,530 INFO [main.py:798]
{rank 0/64} MD step = 407300 step time: 00:00:00.339648 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:34:06,759 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 407300 81460 59.283 -31942 6497.5 -38439 -38439 -1.1611 -21.062 0.31017 7.1158e+05 2024-05-18 18:34:41,285 INFO [main.py:798]
{rank 0/64} MD step = 407400 step time: 00:00:00.352851 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:34:47,738 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 407400 81480 60.024 -32026 6578.7 -38604 -38604 -1.162 -21.064 0.30947 7.1173e+05 2024-05-18 18:35:22,510 INFO [main.py:798]
{rank 0/64} MD step = 407500 step time: 00:00:00.350971 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:35:29,534 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 60.382 -31893 6617.9 -38511 -38511 -1.1618 -21.065 0.30851 7.1191e+05 2024-05-18 18:36:05,059 INFO [main.py:798]
{rank 0/64} MD step = 407600 step time: 00:00:00.376264 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:36:11,389 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 407600 81520 60.334 -31956 6612.6 -38568 -38568 -1.1623 -21.066 0.30756 7.1211e+05 2024-05-18 18:36:48,973 INFO [main.py:798]
{rank 0/64} MD step = 407700 step time: 00:00:00.356328 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:36:54,240 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 407700 81540 59.645 -31975 6537.1 -38512 -38512 -1.1648 -21.068 0.30792 7.123e+05 2024-05-18 18:37:29,276 INFO [main.py:798]
{rank 0/64} MD step = 407800 step time: 00:00:00.351889 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:37:37,929 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 59.983 -31942 6574.2 -38516 -38516 -1.1684 -21.07 0.30889 7.1245e+05 2024-05-18 18:38:12,228 INFO [main.py:798]
{rank 0/64} MD step = 407900 step time: 00:00:00.364317 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:38:18,118 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 61.018 -31706 6687.6 -38394 -38394 -1.1724 -21.073 0.30887 7.1261e+05 2024-05-18 18:38:53,738 INFO [main.py:798]
{rank 0/64} MD step = 408000 step time: 00:00:00.341399 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:39:00,061 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 61.048 -31673 6690.9 -38364 -38364 -1.1753 -21.074 0.30752 7.1279e+05 2024-05-18 18:39:34,530 INFO [main.py:798]
{rank 0/64} MD step = 408100 step time: 00:00:00.348805 Performance: 41.064 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:39:43,096 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 60.141 -31926 6591.5 -38518 -38518 -1.1784 -21.076 0.30631 7.1293e+05 2024-05-18 18:40:18,125 INFO [main.py:798]
{rank 0/64} MD step = 408200 step time: 00:00:00.357190 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:40:24,317 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 408200 81640 59.709 -31933 6544.1 -38477 -38477 -1.1802 -21.078 0.30691 7.1314e+05 2024-05-18 18:40:58,142 INFO [main.py:798]
{rank 0/64} MD step = 408300 step time: 00:00:00.347783 Performance: 41.064 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:41:04,953 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 408300 81660 59.586 -31974 6530.7 -38505 -38505 -1.1824 -21.08 0.30706 7.1332e+05 2024-05-18 18:41:39,183 INFO [main.py:798]
{rank 0/64} MD step = 408400 step time: 00:00:00.346272 Performance: 41.064 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:41:46,354 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 408400 81680 60.492 -31821 6630 -38451 -38451 -1.1861 -21.083 0.30911 7.1348e+05 2024-05-18 18:42:21,338 INFO [main.py:798]
{rank 0/64} MD step = 408500 step time: 00:00:00.376084 Performance: 41.064 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:42:28,366 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 60.015 -31786 6577.7 -38364 -38364 -1.1889 -21.084 0.3116 7.1373e+05 2024-05-18 18:43:03,277 INFO [main.py:798]
{rank 0/64} MD step = 408600 step time: 00:00:00.344222 Performance: 41.064 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:43:10,099 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 408600 81720 60.468 -31783 6627.4 -38410 -38410 -1.1902 -21.086 0.3115 7.1391e+05 2024-05-18 18:43:45,042 INFO [main.py:798]
{rank 0/64} MD step = 408700 step time: 00:00:00.358118 Performance: 41.064 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:43:51,677 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 59.27 -31803 6496 -38299 -38299 -1.1932 -21.088 0.31047 7.1408e+05 2024-05-18 18:44:27,711 INFO [main.py:798]
{rank 0/64} MD step = 408800 step time: 00:00:00.351440 Performance: 41.064 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:44:33,319 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 61.012 -31741 6687 -38428 -38428 -1.1942 -21.09 0.30922 7.1422e+05 2024-05-18 18:45:08,841 INFO [main.py:798]
{rank 0/64} MD step = 408900 step time: 00:00:00.357987 Performance: 41.064 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:45:16,631 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 408900 81780 59.831 -31871 6557.6 -38429 -38429 -1.1949 -21.09 0.30955 7.1439e+05 2024-05-18 18:45:50,872 INFO [main.py:798]
{rank 0/64} MD step = 409000 step time: 00:00:00.332821 Performance: 41.064 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:45:58,356 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 58.795 -31884 6444 -38328 -38328 -1.1944 -21.09 0.30886 7.1455e+05 2024-05-18 18:46:33,505 INFO [main.py:798]
{rank 0/64} MD step = 409100 step time: 00:00:00.343721 Performance: 41.064 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:46:46,139 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 409100 81820 60.34 -31895 6613.3 -38509 -38509 -1.1957 -21.093 0.30798 7.1471e+05 2024-05-18 18:47:19,738 INFO [main.py:798]
{rank 0/64} MD step = 409200 step time: 00:00:00.344575 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:47:25,501 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 59.225 -32036 6491.2 -38528 -38528 -1.1927 -21.096 0.30524 7.149e+05 2024-05-18 18:48:00,662 INFO [main.py:798]
{rank 0/64} MD step = 409300 step time: 00:00:00.342508 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:48:08,036 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 409300 81860 60.398 -31760 6619.7 -38379 -38379 -1.1912 -21.099 0.30449 7.1512e+05 2024-05-18 18:48:42,878 INFO [main.py:798]
{rank 0/64} MD step = 409400 step time: 00:00:00.378605 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:48:50,414 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 409400 81880 60.204 -31794 6598.5 -38392 -38392 -1.193 -21.1 0.30535 7.1528e+05 2024-05-18 18:49:24,919 INFO [main.py:798]
{rank 0/64} MD step = 409500 step time: 00:00:00.344568 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:49:32,702 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 59.673 -32017 6540.3 -38557 -38557 -1.1953 -21.101 0.30388 7.1542e+05 2024-05-18 18:50:07,132 INFO [main.py:798]
{rank 0/64} MD step = 409600 step time: 00:00:00.355269 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:50:13,214 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 409600 81920 59.9 -31926 6565.1 -38491 -38491 -1.1965 -21.103 0.30381 7.1559e+05 2024-05-18 18:50:47,996 INFO [main.py:798]
{rank 0/64} MD step = 409700 step time: 00:00:00.347913 Performance: 41.064 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:50:55,842 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 59.543 -31945 6526 -38471 -38471 -1.1964 -21.105 0.304 7.1579e+05 2024-05-18 18:51:30,337 INFO [main.py:798]
{rank 0/64} MD step = 409800 step time: 00:00:00.351086 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:51:36,261 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 59.918 -31804 6567 -38371 -38371 -1.1953 -21.106 0.30369 7.1597e+05 2024-05-18 18:52:10,714 INFO [main.py:798]
{rank 0/64} MD step = 409900 step time: 00:00:00.354849 Performance: 41.064 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:52:16,756 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 409900 81980 59.847 -31913 6559.3 -38472 -38472 -1.1933 -21.108 0.30396 7.1612e+05 2024-05-18 18:52:52,280 INFO [main.py:798]
{rank 0/64} MD step = 410000 step time: 00:00:00.345330 Performance: 41.064 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:53:00,643 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410000 82000 60.787 -31967 6662.3 -38629 -38629 -1.1931 -21.11 0.3039 7.1626e+05 2024-05-18 18:53:35,400 INFO [main.py:798]
{rank 0/64} MD step = 410100 step time: 00:00:00.374931 Performance: 41.064 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:53:44,800 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 60.196 -31910 6597.6 -38508 -38508 -1.1951 -21.112 0.30166 7.1647e+05 2024-05-18 18:54:20,590 INFO [main.py:798]
{rank 0/64} MD step = 410200 step time: 00:00:00.362013 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:54:29,196 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410200 82040 60.064 -32005 6583.1 -38588 -38588 -1.1966 -21.114 0.30065 7.1663e+05 2024-05-18 18:55:04,583 INFO [main.py:798]
{rank 0/64} MD step = 410300 step time: 00:00:00.360652 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:55:11,655 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 60.567 -31828 6638.2 -38466 -38466 -1.1986 -21.115 0.29984 7.1682e+05 2024-05-18 18:55:46,422 INFO [main.py:798]
{rank 0/64} MD step = 410400 step time: 00:00:00.348594 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:55:53,690 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410400 82080 60.172 -31795 6595 -38390 -38390 -1.2016 -21.118 0.30051 7.1701e+05 2024-05-18 18:56:28,194 INFO [main.py:798]
{rank 0/64} MD step = 410500 step time: 00:00:00.342484 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:56:35,371 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410500 82100 59.515 -31813 6523 -38336 -38336 -1.2046 -21.119 0.30069 7.172e+05 2024-05-18 18:57:09,824 INFO [main.py:798]
{rank 0/64} MD step = 410600 step time: 00:00:00.355297 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:57:16,199 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 59.786 -31860 6552.6 -38412 -38412 -1.2078 -21.12 0.30044 7.1737e+05 2024-05-18 18:57:51,123 INFO [main.py:798]
{rank 0/64} MD step = 410700 step time: 00:00:00.362341 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:57:58,145 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410700 82140 60.883 -31860 6672.9 -38533 -38533 -1.2111 -21.123 0.30129 7.1753e+05 2024-05-18 18:58:33,186 INFO [main.py:798]
{rank 0/64} MD step = 410800 step time: 00:00:00.350281 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:58:39,662 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410800 82160 60.973 -31783 6682.7 -38466 -38466 -1.2125 -21.126 0.30177 7.1769e+05 2024-05-18 18:59:14,281 INFO [main.py:798]
{rank 0/64} MD step = 410900 step time: 00:00:00.350478 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 18:59:23,049 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410900 82180 59.269 -31928 6495.9 -38424 -38424 -1.2118 -21.128 0.29992 7.1791e+05 2024-05-18 18:59:57,114 INFO [main.py:798]
{rank 0/64} MD step = 411000 step time: 00:00:00.350384 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 19:00:05,279 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 59.406 -31860 6510.9 -38371 -38371 -1.2113 -21.129 0.29919 7.1809e+05 2024-05-18 19:00:39,501 INFO [main.py:798]
{rank 0/64} MD step = 411100 step time: 00:00:00.335713 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 19:00:45,635 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 411100 82220 60.095 -31801 6586.5 -38387 -38387 -1.2116 -21.131 0.3001 7.1825e+05 2024-05-18 19:01:20,018 INFO [main.py:798]
{rank 0/64} MD step = 411200 step time: 00:00:00.344556 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 19:01:26,033 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 411200 82240 59.275 -31965 6496.6 -38461 -38461 -1.2125 -21.133 0.30035 7.184e+05 2024-05-18 19:02:02,506 INFO [main.py:798]
{rank 0/64} MD step = 411300 step time: 00:00:00.368669 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 19:02:08,271 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 411300 82260 60.307 -31943 6609.7 -38553 -38553 -1.2142 -21.133 0.30116 7.1856e+05 2024-05-18 19:02:42,703 INFO [main.py:798]
{rank 0/64} MD step = 411400 step time: 00:00:00.354740 Performance: 41.064 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 19:02:50,974 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 411400 82280 59.134 -32047 6481.1 -38528 -38528 -1.2143 -21.134 0.3016 7.1874e+05 2024-05-18 19:03:27,315 INFO [main.py:798]
{rank 0/64} MD step = 411500 step time: 00:00:00.361296 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 19:03:34,729 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 411500 82300 59.404 -31987 6510.8 -38498 -38498 -1.2156 -21.134 0.30164 7.1894e+05 2024-05-18 19:04:08,869 INFO [main.py:798]
{rank 0/64} MD step = 411600 step time: 00:00:00.341402 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 19:04:15,016 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 59.8 -31994 6554.2 -38548 -38548 -1.2175 -21.136 0.30122 7.191e+05 2024-05-18 19:04:50,559 INFO [main.py:798]
{rank 0/64} MD step = 411700 step time: 00:00:00.375223 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 19:04:56,982 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 59.917 -31983 6567 -38550 -38550 -1.2201 -21.135 0.30066 7.1927e+05 2024-05-18 19:05:32,535 INFO [main.py:798]
{rank 0/64} MD step = 411800 step time: 00:00:00.355985 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 19:05:43,913 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 60.311 -31740 6610.1 -38350 -38350 -1.223 -21.137 0.30057 7.1947e+05 2024-05-18 19:06:19,046 INFO [main.py:798]
{rank 0/64} MD step = 411900 step time: 00:00:00.331930 Performance: 41.062 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 19:06:26,890 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 411900 82380 60.48 -31886 6628.7 -38515 -38515 -1.2242 -21.14 0.30016 7.1963e+05 2024-05-18 19:07:02,808 INFO [main.py:798]
{rank 0/64} MD step = 412000 step time: 00:00:00.329700 Performance: 41.062 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 19:07:07,951 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 59.936 -31911 6569.1 -38480 -38480 -1.2251 -21.141 0.30114 7.1978e+05 2024-05-18 19:07:43,066 INFO [main.py:798]
{rank 0/64} MD step = 412100 step time: 00:00:00.337364 Performance: 41.062 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 19:07:48,288 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 60.364 -31798 6616 -38414 -38414 -1.2248 -21.143 0.30183 7.1998e+05 2024-05-18 19:08:23,337 INFO [main.py:798]
{rank 0/64} MD step = 412200 step time: 00:00:00.332654 Performance: 41.063 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 19:08:31,749 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 412200 82440 60.687 -31824 6651.3 -38476 -38476 -1.2247 -21.144 0.30055 7.2015e+05 2024-05-18 19:09:06,740 INFO [main.py:798]
{rank 0/64} MD step = 412300 step time: 00:00:00.364348 Performance: 41.062 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 19:09:14,491 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 412300 82460 60.575 -31861 6639.1 -38500 -38500 -1.2221 -21.145 0.30091 7.203e+05 2024-05-18 19:09:50,344 INFO [main.py:798]
{rank 0/64} MD step = 412400 step time: 00:00:00.327272 Performance: 41.062 ns/day 0.584 hours/ns 2.376 steps/s 2024-05-18 19:10:05,878 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 59.817 -31828 6556 -38384 -38384 -1.2206 -21.145 0.30278 7.2048e+05 2024-05-18 19:10:40,870 INFO [main.py:798]
{rank 0/64} MD step = 412500 step time: 00:00:00.334023 Performance: 41.060 ns/day 0.585 hours/ns 2.376 steps/s 2024-05-18 19:10:47,616 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 412500 82500 60.72 -31859 6655 -38514 -38514 -1.222 -21.146 0.30161 7.2064e+05 2024-05-18 19:11:22,710 INFO [main.py:798]
{rank 0/64} MD step = 412600 step time: 00:00:00.354308 Performance: 41.060 ns/day 0.585 hours/ns 2.376 steps/s 2024-05-18 19:11:42,542 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 59.492 -31992 6520.4 -38512 -38512 -1.2217 -21.147 0.30341 7.208e+05 2024-05-18 19:12:16,561 INFO [main.py:798]
{rank 0/64} MD step = 412700 step time: 00:00:00.364569 Performance: 41.057 ns/day 0.585 hours/ns 2.376 steps/s 2024-05-18 19:12:32,476 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 59.543 -31994 6526 -38520 -38520 -1.223 -21.148 0.30234 7.2097e+05 2024-05-18 19:13:08,175 INFO [main.py:798]
{rank 0/64} MD step = 412800 step time: 00:00:00.352201 Performance: 41.055 ns/day 0.585 hours/ns 2.376 steps/s 2024-05-18 19:13:14,233 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 412800 82560 60.532 -31965 6634.4 -38599 -38599 -1.2242 -21.152 0.30207 7.2114e+05 2024-05-18 19:13:49,332 INFO [main.py:798]
{rank 0/64} MD step = 412900 step time: 00:00:00.356692 Performance: 41.055 ns/day 0.585 hours/ns 2.376 steps/s 2024-05-18 19:13:58,364 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 59.513 -31932 6522.7 -38454 -38454 -1.2265 -21.153 0.30009 7.2132e+05 2024-05-18 19:14:33,033 INFO [main.py:798]
{rank 0/64} MD step = 413000 step time: 00:00:00.344926 Performance: 41.055 ns/day 0.585 hours/ns 2.376 steps/s 2024-05-18 19:14:38,962 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 413000 82600 59.431 -31879 6513.7 -38393 -38393 -1.2309 -21.155 0.29996 7.2149e+05 2024-05-18 19:15:15,180 INFO [main.py:798]
{rank 0/64} MD step = 413100 step time: 00:00:00.355980 Performance: 41.055 ns/day 0.585 hours/ns 2.376 steps/s 2024-05-18 19:15:24,303 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 413100 82620 59.886 -32017 6563.5 -38581 -38581 -1.2341 -21.156 0.30082 7.2163e+05 2024-05-18 19:15:58,626 INFO [main.py:798]
{rank 0/64} MD step = 413200 step time: 00:00:00.363246 Performance: 41.055 ns/day 0.585 hours/ns 2.376 steps/s 2024-05-18 19:16:08,072 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 61.142 -31890 6701.2 -38591 -38591 -1.2373 -21.156 0.30019 7.2181e+05 2024-05-18 19:16:44,068 INFO [main.py:798]
{rank 0/64} MD step = 413300 step time: 00:00:00.386110 Performance: 41.054 ns/day 0.585 hours/ns 2.376 steps/s 2024-05-18 19:16:50,311 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 60.772 -31907 6660.7 -38568 -38568 -1.2385 -21.157 0.30059 7.2197e+05 2024-05-18 19:17:25,507 INFO [main.py:798]
{rank 0/64} MD step = 413400 step time: 00:00:00.343728 Performance: 41.054 ns/day 0.585 hours/ns 2.376 steps/s 2024-05-18 19:17:36,476 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 413400 82680 58.984 -32130 6464.7 -38595 -38595 -1.2395 -21.158 0.29935 7.2217e+05 2024-05-18 19:18:10,841 INFO [main.py:798]
{rank 0/64} MD step = 413500 step time: 00:00:00.350092 Performance: 41.053 ns/day 0.585 hours/ns 2.376 steps/s 2024-05-18 19:18:26,260 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 60.363 -31939 6615.8 -38555 -38555 -1.2431 -21.158 0.29954 7.2232e+05 2024-05-18 19:18:59,864 INFO [main.py:798]
{rank 0/64} MD step = 413600 step time: 00:00:00.354704 Performance: 41.052 ns/day 0.585 hours/ns 2.376 steps/s 2024-05-18 19:19:07,208 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 59.501 -31863 6521.4 -38385 -38385 -1.2451 -21.16 0.30061 7.2253e+05 2024-05-18 19:19:41,865 INFO [main.py:798]
{rank 0/64} MD step = 413700 step time: 00:00:00.349114 Performance: 41.052 ns/day 0.585 hours/ns 2.376 steps/s 2024-05-18 19:19:48,168 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 413700 82740 59.94 -31927 6569.5 -38496 -38496 -1.2485 -21.161 0.30203 7.2266e+05 2024-05-18 19:20:22,974 INFO [main.py:798]
{rank 0/64} MD step = 413800 step time: 00:00:00.364287 Performance: 41.052 ns/day 0.585 hours/ns 2.376 steps/s 2024-05-18 19:20:31,990 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 60.388 -31815 6618.5 -38434 -38434 -1.2502 -21.163 0.30234 7.2282e+05 2024-05-18 19:21:06,158 INFO [main.py:798]
{rank 0/64} MD step = 413900 step time: 00:00:00.352772 Performance: 41.052 ns/day 0.585 hours/ns 2.376 steps/s 2024-05-18 19:21:13,454 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 413900 82780 59.863 -32020 6561.1 -38581 -38581 -1.2504 -21.165 0.30177 7.2299e+05 2024-05-18 19:21:48,224 INFO [main.py:798]
{rank 0/64} MD step = 414000 step time: 00:00:00.355090 Performance: 41.052 ns/day 0.585 hours/ns 2.376 steps/s 2024-05-18 19:21:55,516 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 59.831 -31818 6557.5 -38376 -38376 -1.2524 -21.167 0.30105 7.2322e+05 2024-05-18 19:22:29,529 INFO [main.py:798]
{rank 0/64} MD step = 414100 step time: 00:00:00.338669 Performance: 41.052 ns/day 0.585 hours/ns 2.376 steps/s 2024-05-18 19:22:35,048 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 59.986 -31977 6574.6 -38551 -38551 -1.2517 -21.17 0.30114 7.2337e+05 2024-05-18 19:23:10,654 INFO [main.py:798]
{rank 0/64} MD step = 414200 step time: 00:00:00.379486 Performance: 41.052 ns/day 0.585 hours/ns 2.376 steps/s 2024-05-18 19:23:17,589 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 414200 82840 59.797 -32019 6553.8 -38573 -38573 -1.2511 -21.171 0.30041 7.2353e+05 2024-05-18 19:23:51,599 INFO [main.py:798]
{rank 0/64} MD step = 414300 step time: 00:00:00.343920 Performance: 41.052 ns/day 0.585 hours/ns 2.376 steps/s 2024-05-18 19:24:01,328 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 60.321 -31902 6611.3 -38514 -38514 -1.252 -21.173 0.29913 7.237e+05 2024-05-18 19:24:35,659 INFO [main.py:798]
{rank 0/64} MD step = 414400 step time: 00:00:00.336646 Performance: 41.052 ns/day 0.585 hours/ns 2.376 steps/s 2024-05-18 19:24:41,357 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 59.447 -31888 6515.5 -38403 -38403 -1.2541 -21.176 0.29914 7.239e+05 2024-05-18 19:25:17,272 INFO [main.py:798]
{rank 0/64} MD step = 414500 step time: 00:00:00.383428 Performance: 41.052 ns/day 0.585 hours/ns 2.376 steps/s 2024-05-18 19:25:26,957 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 414500 82900 60.098 -31994 6586.8 -38581 -38581 -1.2555 -21.178 0.29948 7.2402e+05 2024-05-18 19:26:01,578 INFO [main.py:798]
{rank 0/64} MD step = 414600 step time: 00:00:00.351993 Performance: 41.051 ns/day 0.585 hours/ns 2.376 steps/s 2024-05-18 19:26:06,893 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 414600 82920 59.654 -31943 6538.1 -38481 -38481 -1.2564 -21.179 0.30034 7.242e+05 2024-05-18 19:26:41,479 INFO [main.py:798]
{rank 0/64} MD step = 414700 step time: 00:00:00.359447 Performance: 41.052 ns/day 0.585 hours/ns 2.376 steps/s 2024-05-18 19:26:49,066 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 414700 82940 61.15 -31869 6702.1 -38571 -38571 -1.259 -21.182 0.30112 7.2439e+05 2024-05-18 19:27:23,501 INFO [main.py:798]
{rank 0/64} MD step = 414800 step time: 00:00:00.353436 Performance: 41.052 ns/day 0.585 hours/ns 2.376 steps/s 2024-05-18 19:27:37,046 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 414800 82960 60.131 -31900 6590.4 -38491 -38491 -1.2624 -21.185 0.30158 7.2456e+05 2024-05-18 19:28:11,947 INFO [main.py:798]
{rank 0/64} MD step = 414900 step time: 00:00:00.357961 Performance: 41.050 ns/day 0.585 hours/ns 2.376 steps/s 2024-05-18 19:28:18,336 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 60.595 -32101 6641.3 -38742 -38742 -1.2631 -21.186 0.30226 7.2473e+05 2024-05-18 19:28:53,046 INFO [main.py:798]
{rank 0/64} MD step = 415000 step time: 00:00:00.348225 Performance: 41.051 ns/day 0.585 hours/ns 2.376 steps/s 2024-05-18 19:29:02,462 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 415000 83000 60.301 -32069 6609 -38678 -38678 -1.2659 -21.189 0.30078 7.2492e+05 2024-05-18 19:29:37,345 INFO [main.py:798]
{rank 0/64} MD step = 415100 step time: 00:00:00.347662 Performance: 41.050 ns/day 0.585 hours/ns 2.376 steps/s 2024-05-18 19:29:51,906 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 60.657 -31858 6648.1 -38506 -38506 -1.2693 -21.191 0.29993 7.2512e+05 2024-05-18 19:30:26,531 INFO [main.py:798]
{rank 0/64} MD step = 415200 step time: 00:00:00.372248 Performance: 41.048 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 19:30:32,491 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 60.001 -31811 6576.2 -38388 -38388 -1.2713 -21.193 0.29893 7.253e+05 2024-05-18 19:31:06,888 INFO [main.py:798]
{rank 0/64} MD step = 415300 step time: 00:00:00.361770 Performance: 41.049 ns/day 0.585 hours/ns 2.376 steps/s 2024-05-18 19:31:14,100 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 59.128 -31952 6480.5 -38433 -38433 -1.2723 -21.196 0.29925 7.2548e+05 2024-05-18 19:31:49,235 INFO [main.py:798]
{rank 0/64} MD step = 415400 step time: 00:00:00.354429 Performance: 41.049 ns/day 0.585 hours/ns 2.376 steps/s 2024-05-18 19:31:54,970 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 60.44 -31783 6624.3 -38407 -38407 -1.2725 -21.197 0.29892 7.2567e+05 2024-05-18 19:32:31,471 INFO [main.py:798]
{rank 0/64} MD step = 415500 step time: 00:00:00.346126 Performance: 41.049 ns/day 0.585 hours/ns 2.376 steps/s 2024-05-18 19:32:38,832 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 60.624 -31898 6644.4 -38542 -38542 -1.2736 -21.2 0.29828 7.2581e+05 2024-05-18 19:33:12,104 INFO [main.py:798]
{rank 0/64} MD step = 415600 step time: 00:00:00.336457 Performance: 41.049 ns/day 0.585 hours/ns 2.376 steps/s 2024-05-18 19:33:23,354 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 60.014 -31967 6577.6 -38545 -38545 -1.2742 -21.202 0.29752 7.2601e+05 2024-05-18 19:33:57,684 INFO [main.py:798]
{rank 0/64} MD step = 415700 step time: 00:00:00.327434 Performance: 41.048 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 19:34:10,122 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 415700 83140 59.474 -31961 6518.4 -38479 -38479 -1.2765 -21.203 0.29793 7.2619e+05 2024-05-18 19:34:44,756 INFO [main.py:798]
{rank 0/64} MD step = 415800 step time: 00:00:00.336925 Performance: 41.047 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 19:34:50,457 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 60.632 -31898 6645.3 -38543 -38543 -1.2793 -21.204 0.29905 7.2633e+05 2024-05-18 19:35:27,283 INFO [main.py:798]
{rank 0/64} MD step = 415900 step time: 00:00:00.344677 Performance: 41.047 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 19:35:45,727 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 59.234 -32011 6492.1 -38504 -38504 -1.2795 -21.207 0.30017 7.2653e+05 2024-05-18 19:36:21,704 INFO [main.py:798]
{rank 0/64} MD step = 416000 step time: 00:00:00.350485 Performance: 41.044 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 19:36:27,156 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416000 83200 59.067 -31995 6473.8 -38469 -38469 -1.2802 -21.211 0.29973 7.2671e+05 2024-05-18 19:37:02,703 INFO [main.py:798]
{rank 0/64} MD step = 416100 step time: 00:00:00.344150 Performance: 41.044 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 19:37:08,128 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416100 83220 60.085 -31923 6585.4 -38508 -38508 -1.2802 -21.213 0.30002 7.269e+05 2024-05-18 19:37:42,465 INFO [main.py:798]
{rank 0/64} MD step = 416200 step time: 00:00:00.340947 Performance: 41.045 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 19:37:54,983 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416200 83240 60.398 -31864 6619.7 -38484 -38484 -1.2823 -21.216 0.30025 7.2707e+05 2024-05-18 19:38:29,577 INFO [main.py:798]
{rank 0/64} MD step = 416300 step time: 00:00:00.370531 Performance: 41.044 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 19:38:36,254 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416300 83260 60.536 -31908 6634.8 -38542 -38542 -1.2834 -21.218 0.29994 7.2724e+05 2024-05-18 19:39:09,926 INFO [main.py:798]
{rank 0/64} MD step = 416400 step time: 00:00:00.349460 Performance: 41.044 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 19:39:17,357 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 60.062 -31942 6582.8 -38525 -38525 -1.2872 -21.22 0.30047 7.2743e+05 2024-05-18 19:39:53,628 INFO [main.py:798]
{rank 0/64} MD step = 416500 step time: 00:00:00.352121 Performance: 41.044 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 19:40:01,368 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 59.817 -31911 6556 -38467 -38467 -1.2927 -21.22 0.30098 7.2761e+05 2024-05-18 19:40:36,444 INFO [main.py:798]
{rank 0/64} MD step = 416600 step time: 00:00:00.339991 Performance: 41.044 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 19:40:42,410 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 59.747 -31955 6548.4 -38504 -38504 -1.2959 -21.222 0.29906 7.2776e+05 2024-05-18 19:41:17,160 INFO [main.py:798]
{rank 0/64} MD step = 416700 step time: 00:00:00.334205 Performance: 41.044 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 19:41:29,344 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 59.357 -31965 6505.6 -38470 -38470 -1.2972 -21.223 0.29729 7.2793e+05 2024-05-18 19:42:03,857 INFO [main.py:798]
{rank 0/64} MD step = 416800 step time: 00:00:00.354889 Performance: 41.043 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 19:42:09,806 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416800 83360 59.983 -31843 6574.3 -38418 -38418 -1.2957 -21.225 0.29698 7.2811e+05 2024-05-18 19:42:44,486 INFO [main.py:798]
{rank 0/64} MD step = 416900 step time: 00:00:00.354707 Performance: 41.043 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 19:42:56,028 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416900 83380 60.704 -32015 6653.2 -38668 -38668 -1.2961 -21.226 0.29651 7.2824e+05 2024-05-18 19:43:30,670 INFO [main.py:798]
{rank 0/64} MD step = 417000 step time: 00:00:00.353373 Performance: 41.042 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 19:43:38,846 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 60.271 -31947 6605.7 -38553 -38553 -1.2967 -21.226 0.29628 7.2843e+05 2024-05-18 19:44:13,768 INFO [main.py:798]
{rank 0/64} MD step = 417100 step time: 00:00:00.368161 Performance: 41.042 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 19:44:22,730 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 59.758 -31956 6549.5 -38506 -38506 -1.2974 -21.228 0.29635 7.2864e+05 2024-05-18 19:44:57,018 INFO [main.py:798]
{rank 0/64} MD step = 417200 step time: 00:00:00.342085 Performance: 41.042 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 19:45:10,321 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 417200 83440 59.655 -32130 6538.2 -38668 -38668 -1.2988 -21.229 0.29655 7.2879e+05 2024-05-18 19:45:46,053 INFO [main.py:798]
{rank 0/64} MD step = 417300 step time: 00:00:00.353036 Performance: 41.040 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 19:45:51,889 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 417300 83460 59.709 -31963 6544.2 -38507 -38507 -1.301 -21.229 0.29616 7.2896e+05 2024-05-18 19:46:26,472 INFO [main.py:798]
{rank 0/64} MD step = 417400 step time: 00:00:00.352901 Performance: 41.041 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 19:46:34,669 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 59.991 -31912 6575.1 -38487 -38487 -1.3036 -21.23 0.29585 7.2916e+05 2024-05-18 19:47:09,623 INFO [main.py:798]
{rank 0/64} MD step = 417500 step time: 00:00:00.372819 Performance: 41.040 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 19:47:15,185 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 60.743 -31839 6657.5 -38497 -38497 -1.3071 -21.232 0.29495 7.2931e+05 2024-05-18 19:47:52,690 INFO [main.py:798]
{rank 0/64} MD step = 417600 step time: 00:00:00.343139 Performance: 41.040 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 19:47:59,205 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 417600 83520 60 -31774 6576 -38350 -38350 -1.3128 -21.234 0.29385 7.295e+05 2024-05-18 19:48:33,307 INFO [main.py:798]
{rank 0/64} MD step = 417700 step time: 00:00:00.351813 Performance: 41.040 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 19:48:42,386 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 59.423 -32075 6512.8 -38588 -38588 -1.316 -21.235 0.29415 7.2964e+05 2024-05-18 19:49:17,929 INFO [main.py:798]
{rank 0/64} MD step = 417800 step time: 00:00:00.381470 Performance: 41.040 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 19:49:26,280 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 417800 83560 60.632 -31810 6645.3 -38455 -38455 -1.3175 -21.237 0.29457 7.2982e+05 2024-05-18 19:50:01,356 INFO [main.py:798]
{rank 0/64} MD step = 417900 step time: 00:00:00.360397 Performance: 41.040 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 19:50:08,096 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 417900 83580 60.154 -31880 6592.9 -38473 -38473 -1.3193 -21.238 0.29432 7.2998e+05 2024-05-18 19:50:42,858 INFO [main.py:798]
{rank 0/64} MD step = 418000 step time: 00:00:00.358535 Performance: 41.040 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 19:50:48,897 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 60.125 -31952 6589.8 -38542 -38542 -1.3215 -21.238 0.29628 7.3013e+05 2024-05-18 19:51:24,483 INFO [main.py:798]
{rank 0/64} MD step = 418100 step time: 00:00:00.327392 Performance: 41.040 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 19:51:31,188 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 60.54 -31983 6635.2 -38618 -38618 -1.324 -21.24 0.29673 7.3033e+05 2024-05-18 19:52:05,989 INFO [main.py:798]
{rank 0/64} MD step = 418200 step time: 00:00:00.350320 Performance: 41.040 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 19:52:15,146 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 418200 83640 59.917 -31996 6566.9 -38563 -38563 -1.3263 -21.241 0.2959 7.3055e+05 2024-05-18 19:52:49,848 INFO [main.py:798]
{rank 0/64} MD step = 418300 step time: 00:00:00.350779 Performance: 41.040 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 19:52:55,325 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 60.382 -32015 6618 -38633 -38633 -1.3276 -21.241 0.2951 7.3072e+05 2024-05-18 19:53:30,560 INFO [main.py:798]
{rank 0/64} MD step = 418400 step time: 00:00:00.351066 Performance: 41.040 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 19:53:38,936 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 418400 83680 60.107 -31956 6587.8 -38544 -38544 -1.3285 -21.241 0.29541 7.3093e+05 2024-05-18 19:54:13,181 INFO [main.py:798]
{rank 0/64} MD step = 418500 step time: 00:00:00.345177 Performance: 41.040 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 19:54:22,901 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 418500 83700 59.231 -32148 6491.8 -38639 -38639 -1.3317 -21.242 0.29579 7.3107e+05 2024-05-18 19:54:57,635 INFO [main.py:798]
{rank 0/64} MD step = 418600 step time: 00:00:00.352340 Performance: 41.039 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 19:55:03,563 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 418600 83720 60.029 -31989 6579.3 -38568 -38568 -1.3322 -21.244 0.2955 7.3125e+05 2024-05-18 19:55:39,171 INFO [main.py:798]
{rank 0/64} MD step = 418700 step time: 00:00:00.354470 Performance: 41.039 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 19:55:47,271 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 59.562 -31988 6528.1 -38516 -38516 -1.3338 -21.246 0.29579 7.3144e+05 2024-05-18 19:56:20,518 INFO [main.py:798]
{rank 0/64} MD step = 418800 step time: 00:00:00.352265 Performance: 41.040 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 19:56:25,521 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 59.609 -32001 6533.2 -38534 -38534 -1.3363 -21.247 0.29365 7.3161e+05 2024-05-18 19:57:01,347 INFO [main.py:798]
{rank 0/64} MD step = 418900 step time: 00:00:00.341874 Performance: 41.040 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 19:57:10,090 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 418900 83780 60.555 -31885 6636.9 -38522 -38522 -1.3376 -21.248 0.29504 7.3176e+05 2024-05-18 19:57:44,535 INFO [main.py:798]
{rank 0/64} MD step = 419000 step time: 00:00:00.370952 Performance: 41.040 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 19:57:56,257 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 61.109 -31815 6697.6 -38513 -38513 -1.3392 -21.247 0.2946 7.3192e+05 2024-05-18 19:58:30,783 INFO [main.py:798]
{rank 0/64} MD step = 419100 step time: 00:00:00.346716 Performance: 41.039 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 19:58:39,097 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 419100 83820 59.838 -31824 6558.3 -38382 -38382 -1.3384 -21.247 0.29497 7.3213e+05 2024-05-18 19:59:14,606 INFO [main.py:798]
{rank 0/64} MD step = 419200 step time: 00:00:00.347115 Performance: 41.038 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 19:59:22,068 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 59.58 -32071 6530.1 -38601 -38601 -1.3422 -21.25 0.29583 7.3232e+05 2024-05-18 19:59:58,122 INFO [main.py:798]
{rank 0/64} MD step = 419300 step time: 00:00:00.364060 Performance: 41.038 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 20:00:05,668 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 58.854 -32229 6450.4 -38679 -38679 -1.3449 -21.252 0.29723 7.3247e+05 2024-05-18 20:00:40,768 INFO [main.py:798]
{rank 0/64} MD step = 419400 step time: 00:00:00.359699 Performance: 41.038 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 20:00:46,345 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 419400 83880 60.986 -31899 6684.1 -38584 -38584 -1.3499 -21.253 0.29805 7.3264e+05 2024-05-18 20:01:21,119 INFO [main.py:798]
{rank 0/64} MD step = 419500 step time: 00:00:00.352012 Performance: 41.038 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 20:01:28,935 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 59.83 -32001 6557.5 -38558 -38558 -1.3527 -21.255 0.29727 7.3283e+05 2024-05-18 20:02:03,461 INFO [main.py:798]
{rank 0/64} MD step = 419600 step time: 00:00:00.363449 Performance: 41.038 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 20:02:10,396 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 60.002 -31832 6576.3 -38408 -38408 -1.3534 -21.256 0.29773 7.3303e+05 2024-05-18 20:02:46,751 INFO [main.py:798]
{rank 0/64} MD step = 419700 step time: 00:00:00.359085 Performance: 41.038 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 20:02:54,696 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 59.268 -31947 6495.9 -38443 -38443 -1.3572 -21.258 0.29596 7.3321e+05 2024-05-18 20:03:29,708 INFO [main.py:798]
{rank 0/64} MD step = 419800 step time: 00:00:00.350082 Performance: 41.038 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 20:03:35,396 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 59.874 -31951 6562.3 -38514 -38514 -1.3603 -21.26 0.2969 7.3336e+05 2024-05-18 20:04:11,238 INFO [main.py:798]
{rank 0/64} MD step = 419900 step time: 00:00:00.356850 Performance: 41.038 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 20:04:17,877 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 59.88 -31900 6562.9 -38463 -38463 -1.3619 -21.261 0.29851 7.3355e+05 2024-05-18 20:04:53,221 INFO [main.py:798]
{rank 0/64} MD step = 420000 step time: 00:00:00.384798 Performance: 41.038 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 20:05:01,108 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420000 84000 59.866 -32002 6561.3 -38563 -38563 -1.3632 -21.261 0.29847 7.3374e+05 2024-05-18 20:05:35,349 INFO [main.py:798]
{rank 0/64} MD step = 420100 step time: 00:00:00.348835 Performance: 41.038 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 20:05:46,733 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 59.101 -32044 6477.5 -38522 -38522 -1.3629 -21.262 0.29811 7.3393e+05 2024-05-18 20:06:20,774 INFO [main.py:798]
{rank 0/64} MD step = 420200 step time: 00:00:00.334034 Performance: 41.037 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 20:06:27,107 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 59.377 -32128 6507.8 -38636 -38636 -1.365 -21.264 0.29791 7.3405e+05 2024-05-18 20:07:01,366 INFO [main.py:798]
{rank 0/64} MD step = 420300 step time: 00:00:00.354086 Performance: 41.037 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 20:07:07,199 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420300 84060 60.037 -31817 6580.2 -38397 -38397 -1.3669 -21.263 0.29687 7.3421e+05 2024-05-18 20:07:41,759 INFO [main.py:798]
{rank 0/64} MD step = 420400 step time: 00:00:00.350812 Performance: 41.038 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 20:07:48,322 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420400 84080 60.222 -31888 6600.4 -38488 -38488 -1.3699 -21.265 0.29489 7.3438e+05 2024-05-18 20:08:23,991 INFO [main.py:798]
{rank 0/64} MD step = 420500 step time: 00:00:00.361443 Performance: 41.038 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 20:08:30,251 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420500 84100 60.48 -31945 6628.6 -38574 -38574 -1.3722 -21.265 0.29497 7.3455e+05 2024-05-18 20:09:05,034 INFO [main.py:798]
{rank 0/64} MD step = 420600 step time: 00:00:00.328078 Performance: 41.038 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 20:09:12,332 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420600 84120 59.142 -32062 6482.1 -38544 -38544 -1.3754 -21.265 0.29518 7.3471e+05 2024-05-18 20:09:47,566 INFO [main.py:798]
{rank 0/64} MD step = 420700 step time: 00:00:00.330018 Performance: 41.038 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 20:09:54,403 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420700 84140 60.164 -31864 6594 -38458 -38458 -1.379 -21.265 0.29548 7.3491e+05 2024-05-18 20:10:29,152 INFO [main.py:798]
{rank 0/64} MD step = 420800 step time: 00:00:00.332649 Performance: 41.038 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 20:10:44,856 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 59.38 -32003 6508.1 -38512 -38512 -1.3813 -21.267 0.29566 7.3508e+05 2024-05-18 20:11:18,885 INFO [main.py:798]
{rank 0/64} MD step = 420900 step time: 00:00:00.327140 Performance: 41.036 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 20:11:28,608 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420900 84180 59.699 -31888 6543.1 -38431 -38431 -1.3853 -21.267 0.29642 7.3528e+05 2024-05-18 20:12:03,083 INFO [main.py:798]
{rank 0/64} MD step = 421000 step time: 00:00:00.328442 Performance: 41.036 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 20:12:10,818 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421000 84200 59.586 -31903 6530.7 -38434 -38434 -1.3893 -21.268 0.29788 7.3547e+05 2024-05-18 20:12:45,337 INFO [main.py:798]
{rank 0/64} MD step = 421100 step time: 00:00:00.330115 Performance: 41.036 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 20:12:54,190 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 60.945 -31861 6679.6 -38541 -38541 -1.3926 -21.267 0.29957 7.3563e+05 2024-05-18 20:13:30,563 INFO [main.py:798]
{rank 0/64} MD step = 421200 step time: 00:00:00.350383 Performance: 41.035 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 20:13:39,246 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421200 84240 59.791 -32092 6553.2 -38645 -38645 -1.3954 -21.269 0.30078 7.3581e+05 2024-05-18 20:14:13,322 INFO [main.py:798]
{rank 0/64} MD step = 421300 step time: 00:00:00.325857 Performance: 41.035 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 20:14:23,275 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421300 84260 60.688 -31826 6651.5 -38477 -38477 -1.3994 -21.27 0.30247 7.3602e+05 2024-05-18 20:14:58,110 INFO [main.py:798]
{rank 0/64} MD step = 421400 step time: 00:00:00.325598 Performance: 41.034 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 20:15:07,618 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 60.524 -32010 6633.5 -38643 -38643 -1.4015 -21.271 0.30366 7.3617e+05 2024-05-18 20:15:42,950 INFO [main.py:798]
{rank 0/64} MD step = 421500 step time: 00:00:00.326211 Performance: 41.034 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 20:15:49,016 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 61.311 -31829 6719.8 -38549 -38549 -1.4051 -21.272 0.30319 7.3636e+05 2024-05-18 20:16:23,889 INFO [main.py:798]
{rank 0/64} MD step = 421600 step time: 00:00:00.332957 Performance: 41.034 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 20:16:28,948 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421600 84320 59.745 -32024 6548.1 -38572 -38572 -1.4086 -21.272 0.30294 7.3652e+05 2024-05-18 20:17:03,746 INFO [main.py:798]
{rank 0/64} MD step = 421700 step time: 00:00:00.354051 Performance: 41.034 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 20:17:09,504 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421700 84340 59.974 -32060 6573.2 -38633 -38633 -1.4099 -21.274 0.30182 7.3667e+05 2024-05-18 20:17:44,302 INFO [main.py:798]
{rank 0/64} MD step = 421800 step time: 00:00:00.351996 Performance: 41.035 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 20:17:53,749 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421800 84360 60.36 -31953 6615.5 -38568 -38568 -1.4116 -21.275 0.30005 7.369e+05 2024-05-18 20:18:28,794 INFO [main.py:798]
{rank 0/64} MD step = 421900 step time: 00:00:00.358909 Performance: 41.034 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 20:18:37,398 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 58.844 -32114 6449.4 -38564 -38564 -1.4143 -21.274 0.30077 7.3703e+05 2024-05-18 20:19:12,143 INFO [main.py:798]
{rank 0/64} MD step = 422000 step time: 00:00:00.329934 Performance: 41.034 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 20:19:20,716 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 59.799 -32082 6554 -38636 -38636 -1.4154 -21.274 0.30273 7.3722e+05 2024-05-18 20:19:55,691 INFO [main.py:798]
{rank 0/64} MD step = 422100 step time: 00:00:00.329977 Performance: 41.034 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 20:20:02,029 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 60.027 -31953 6579.1 -38533 -38533 -1.4155 -21.275 0.30329 7.3741e+05 2024-05-18 20:20:37,227 INFO [main.py:798]
{rank 0/64} MD step = 422200 step time: 00:00:00.352540 Performance: 41.034 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 20:20:44,386 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 61.067 -31829 6693 -38522 -38522 -1.4187 -21.277 0.30329 7.3758e+05 2024-05-18 20:21:21,273 INFO [main.py:798]
{rank 0/64} MD step = 422300 step time: 00:00:00.376515 Performance: 41.033 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 20:21:30,506 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422300 84460 60.234 -31994 6601.7 -38595 -38595 -1.4213 -21.276 0.30338 7.3775e+05 2024-05-18 20:22:07,567 INFO [main.py:798]
{rank 0/64} MD step = 422400 step time: 00:00:00.328631 Performance: 41.032 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 20:22:15,063 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422400 84480 60.589 -31894 6640.7 -38535 -38535 -1.4213 -21.277 0.30335 7.3792e+05 2024-05-18 20:22:50,327 INFO [main.py:798]
{rank 0/64} MD step = 422500 step time: 00:00:00.326968 Performance: 41.032 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 20:22:56,768 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422500 84500 60.567 -31869 6638.3 -38507 -38507 -1.421 -21.279 0.3027 7.3812e+05 2024-05-18 20:23:33,647 INFO [main.py:798]
{rank 0/64} MD step = 422600 step time: 00:00:00.344495 Performance: 41.032 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 20:23:41,782 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 60.09 -31886 6585.9 -38472 -38472 -1.422 -21.279 0.30127 7.383e+05 2024-05-18 20:24:15,686 INFO [main.py:798]
{rank 0/64} MD step = 422700 step time: 00:00:00.350044 Performance: 41.032 ns/day 0.585 hours/ns 2.375 steps/s 2024-05-18 20:24:38,255 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422700 84540 60.59 -31848 6640.7 -38489 -38489 -1.4221 -21.281 0.30102 7.3847e+05 2024-05-18 20:25:13,349 INFO [main.py:798]
{rank 0/64} MD step = 422800 step time: 00:00:00.338564 Performance: 41.028 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:25:18,212 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422800 84560 60.316 -31959 6610.7 -38570 -38570 -1.4247 -21.28 0.3013 7.3863e+05 2024-05-18 20:25:54,565 INFO [main.py:798]
{rank 0/64} MD step = 422900 step time: 00:00:00.345770 Performance: 41.029 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:26:01,705 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422900 84580 60.591 -31897 6640.8 -38538 -38538 -1.4293 -21.28 0.30141 7.3886e+05 2024-05-18 20:26:37,141 INFO [main.py:798]
{rank 0/64} MD step = 423000 step time: 00:00:00.331890 Performance: 41.028 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:26:47,029 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 59.312 -32008 6500.7 -38509 -38509 -1.4317 -21.281 0.30106 7.3902e+05 2024-05-18 20:27:21,555 INFO [main.py:798]
{rank 0/64} MD step = 423100 step time: 00:00:00.327508 Performance: 41.028 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:27:33,510 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 59.901 -31931 6565.2 -38496 -38496 -1.4312 -21.282 0.30124 7.3919e+05 2024-05-18 20:28:08,647 INFO [main.py:798]
{rank 0/64} MD step = 423200 step time: 00:00:00.353564 Performance: 41.027 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:28:13,305 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 59.274 -32053 6496.5 -38549 -38549 -1.4344 -21.282 0.30171 7.3935e+05 2024-05-18 20:28:49,116 INFO [main.py:798]
{rank 0/64} MD step = 423300 step time: 00:00:00.358073 Performance: 41.027 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:28:56,286 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 423300 84660 60.558 -31892 6637.3 -38529 -38529 -1.4368 -21.284 0.30131 7.3955e+05 2024-05-18 20:29:32,556 INFO [main.py:798]
{rank 0/64} MD step = 423400 step time: 00:00:00.351270 Performance: 41.027 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:29:39,820 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 60.938 -31812 6678.9 -38491 -38491 -1.4418 -21.284 0.30232 7.397e+05 2024-05-18 20:30:16,267 INFO [main.py:798]
{rank 0/64} MD step = 423500 step time: 00:00:00.376321 Performance: 41.026 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:30:23,140 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 423500 84700 59.915 -31884 6566.8 -38451 -38451 -1.4457 -21.284 0.30415 7.3989e+05 2024-05-18 20:30:58,372 INFO [main.py:798]
{rank 0/64} MD step = 423600 step time: 00:00:00.339620 Performance: 41.026 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:31:04,733 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 423600 84720 60.563 -31906 6637.8 -38544 -38544 -1.4487 -21.285 0.30407 7.4002e+05 2024-05-18 20:31:39,316 INFO [main.py:798]
{rank 0/64} MD step = 423700 step time: 00:00:00.360222 Performance: 41.027 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:31:45,439 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 59.495 -32026 6520.7 -38547 -38547 -1.4516 -21.284 0.30434 7.402e+05 2024-05-18 20:32:20,486 INFO [main.py:798]
{rank 0/64} MD step = 423800 step time: 00:00:00.373356 Performance: 41.027 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:32:27,048 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 423800 84760 59.934 -32008 6568.9 -38576 -38576 -1.4545 -21.285 0.30444 7.4038e+05 2024-05-18 20:33:02,133 INFO [main.py:798]
{rank 0/64} MD step = 423900 step time: 00:00:00.344763 Performance: 41.027 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:33:08,014 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 423900 84780 60.852 -31796 6669.5 -38465 -38465 -1.4568 -21.286 0.30451 7.4056e+05 2024-05-18 20:33:43,243 INFO [main.py:798]
{rank 0/64} MD step = 424000 step time: 00:00:00.343465 Performance: 41.027 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:33:50,300 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 60.393 -31921 6619.2 -38540 -38540 -1.4598 -21.287 0.30403 7.4071e+05 2024-05-18 20:34:24,461 INFO [main.py:798]
{rank 0/64} MD step = 424100 step time: 00:00:00.333560 Performance: 41.027 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:34:35,674 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 60.003 -32029 6576.4 -38606 -38606 -1.4632 -21.286 0.30434 7.4084e+05 2024-05-18 20:35:10,907 INFO [main.py:798]
{rank 0/64} MD step = 424200 step time: 00:00:00.354343 Performance: 41.026 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:35:18,189 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 424200 84840 60.164 -31892 6594 -38486 -38486 -1.4654 -21.285 0.30482 7.4102e+05 2024-05-18 20:35:53,276 INFO [main.py:798]
{rank 0/64} MD step = 424300 step time: 00:00:00.368504 Performance: 41.026 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:35:57,756 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 60.274 -32014 6606.1 -38620 -38620 -1.4676 -21.285 0.30613 7.4116e+05 2024-05-18 20:36:33,834 INFO [main.py:798]
{rank 0/64} MD step = 424400 step time: 00:00:00.346553 Performance: 41.027 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:36:39,783 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 424400 84880 59.657 -32027 6538.5 -38565 -38565 -1.4717 -21.286 0.30647 7.4137e+05 2024-05-18 20:37:14,721 INFO [main.py:798]
{rank 0/64} MD step = 424500 step time: 00:00:00.380665 Performance: 41.027 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:37:20,717 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 424500 84900 60.994 -31983 6685 -38668 -38668 -1.4751 -21.287 0.30598 7.4151e+05 2024-05-18 20:37:55,177 INFO [main.py:798]
{rank 0/64} MD step = 424600 step time: 00:00:00.354144 Performance: 41.027 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:38:02,323 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 424600 84920 59.759 -31970 6549.6 -38520 -38520 -1.4812 -21.287 0.30759 7.4171e+05 2024-05-18 20:38:35,844 INFO [main.py:798]
{rank 0/64} MD step = 424700 step time: 00:00:00.330229 Performance: 41.028 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:38:42,756 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 60.172 -31847 6594.9 -38442 -38442 -1.4845 -21.288 0.30618 7.4188e+05 2024-05-18 20:39:18,821 INFO [main.py:798]
{rank 0/64} MD step = 424800 step time: 00:00:00.340812 Performance: 41.028 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:39:27,948 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 60.619 -31852 6643.9 -38496 -38496 -1.4851 -21.289 0.30651 7.4204e+05 2024-05-18 20:40:02,282 INFO [main.py:798]
{rank 0/64} MD step = 424900 step time: 00:00:00.346036 Performance: 41.027 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:40:09,827 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 59.733 -31966 6546.8 -38513 -38513 -1.4858 -21.288 0.30686 7.4223e+05 2024-05-18 20:40:45,462 INFO [main.py:798]
{rank 0/64} MD step = 425000 step time: 00:00:00.386031 Performance: 41.027 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:40:57,064 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425000 85000 59.795 -32120 6553.6 -38673 -38673 -1.4869 -21.288 0.30774 7.4239e+05 2024-05-18 20:41:31,544 INFO [main.py:798]
{rank 0/64} MD step = 425100 step time: 00:00:00.355364 Performance: 41.026 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:41:37,845 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 60.379 -31895 6617.6 -38512 -38512 -1.4886 -21.29 0.30817 7.4261e+05 2024-05-18 20:42:12,187 INFO [main.py:798]
{rank 0/64} MD step = 425200 step time: 00:00:00.352585 Performance: 41.026 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:42:27,550 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425200 85040 59.601 -31973 6532.4 -38506 -38506 -1.4885 -21.29 0.30847 7.4276e+05 2024-05-18 20:43:02,098 INFO [main.py:798]
{rank 0/64} MD step = 425300 step time: 00:00:00.344685 Performance: 41.025 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:43:10,017 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425300 85060 60.164 -31944 6594 -38538 -38538 -1.4881 -21.29 0.30945 7.4293e+05 2024-05-18 20:43:45,503 INFO [main.py:798]
{rank 0/64} MD step = 425400 step time: 00:00:00.329380 Performance: 41.024 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:43:55,091 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425400 85080 59.562 -31925 6528.1 -38453 -38453 -1.4874 -21.29 0.30977 7.4312e+05 2024-05-18 20:44:29,812 INFO [main.py:798]
{rank 0/64} MD step = 425500 step time: 00:00:00.328453 Performance: 41.024 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:44:36,827 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425500 85100 60.079 -31915 6584.8 -38500 -38500 -1.4857 -21.291 0.31044 7.4332e+05 2024-05-18 20:45:11,133 INFO [main.py:798]
{rank 0/64} MD step = 425600 step time: 00:00:00.337183 Performance: 41.024 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:45:17,743 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 59.188 -32105 6487.1 -38592 -38592 -1.487 -21.292 0.31205 7.4348e+05 2024-05-18 20:45:52,342 INFO [main.py:798]
{rank 0/64} MD step = 425700 step time: 00:00:00.329498 Performance: 41.024 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:45:58,381 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 59.468 -31971 6517.7 -38489 -38489 -1.4881 -21.294 0.3124 7.4364e+05 2024-05-18 20:46:33,151 INFO [main.py:798]
{rank 0/64} MD step = 425800 step time: 00:00:00.327630 Performance: 41.025 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:46:39,045 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425800 85160 59.894 -31898 6564.4 -38463 -38463 -1.4885 -21.296 0.31305 7.4385e+05 2024-05-18 20:47:14,285 INFO [main.py:798]
{rank 0/64} MD step = 425900 step time: 00:00:00.333697 Performance: 41.025 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:47:20,501 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425900 85180 60.402 -31798 6620.1 -38419 -38419 -1.4924 -21.296 0.31366 7.4404e+05 2024-05-18 20:47:55,333 INFO [main.py:798]
{rank 0/64} MD step = 426000 step time: 00:00:00.329127 Performance: 41.025 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:48:07,587 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 59.952 -31996 6570.8 -38567 -38567 -1.496 -21.297 0.31486 7.4417e+05 2024-05-18 20:48:42,087 INFO [main.py:798]
{rank 0/64} MD step = 426100 step time: 00:00:00.333348 Performance: 41.024 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:48:47,844 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426100 85220 60.388 -31811 6618.6 -38430 -38430 -1.499 -21.299 0.31551 7.4436e+05 2024-05-18 20:49:23,750 INFO [main.py:798]
{rank 0/64} MD step = 426200 step time: 00:00:00.345934 Performance: 41.024 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:49:31,758 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426200 85240 59.963 -32018 6572 -38590 -38590 -1.5005 -21.3 0.31567 7.4454e+05 2024-05-18 20:50:06,464 INFO [main.py:798]
{rank 0/64} MD step = 426300 step time: 00:00:00.351151 Performance: 41.024 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:50:13,374 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426300 85260 60.392 -31870 6619 -38489 -38489 -1.5011 -21.301 0.31665 7.4467e+05 2024-05-18 20:50:48,100 INFO [main.py:798]
{rank 0/64} MD step = 426400 step time: 00:00:00.353123 Performance: 41.024 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:50:58,413 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426400 85280 60.612 -31801 6643.2 -38444 -38444 -1.5012 -21.303 0.31602 7.4489e+05 2024-05-18 20:51:34,766 INFO [main.py:798]
{rank 0/64} MD step = 426500 step time: 00:00:00.353781 Performance: 41.023 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:51:40,201 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426500 85300 60.181 -31819 6596 -38415 -38415 -1.5024 -21.302 0.31491 7.4505e+05 2024-05-18 20:52:15,591 INFO [main.py:798]
{rank 0/64} MD step = 426600 step time: 00:00:00.376282 Performance: 41.023 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:52:20,933 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426600 85320 60.062 -31927 6582.9 -38510 -38510 -1.5019 -21.304 0.31529 7.4524e+05 2024-05-18 20:52:56,244 INFO [main.py:798]
{rank 0/64} MD step = 426700 step time: 00:00:00.360796 Performance: 41.024 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:53:00,842 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 61.239 -31675 6711.9 -38387 -38387 -1.5026 -21.304 0.31607 7.4543e+05 2024-05-18 20:53:36,826 INFO [main.py:798]
{rank 0/64} MD step = 426800 step time: 00:00:00.376644 Performance: 41.024 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:53:43,054 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426800 85360 60.435 -31861 6623.7 -38484 -38484 -1.5028 -21.305 0.31617 7.456e+05 2024-05-18 20:54:18,647 INFO [main.py:798]
{rank 0/64} MD step = 426900 step time: 00:00:00.352830 Performance: 41.024 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:54:26,846 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 61.6 -31637 6751.5 -38389 -38389 -1.5016 -21.306 0.31647 7.4578e+05 2024-05-18 20:55:01,688 INFO [main.py:798]
{rank 0/64} MD step = 427000 step time: 00:00:00.343250 Performance: 41.024 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:55:09,618 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 60.249 -31846 6603.3 -38449 -38449 -1.5016 -21.308 0.31687 7.4595e+05 2024-05-18 20:55:44,749 INFO [main.py:798]
{rank 0/64} MD step = 427100 step time: 00:00:00.352869 Performance: 41.024 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:56:09,358 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 59.367 -31980 6506.7 -38486 -38486 -1.5022 -21.307 0.31633 7.461e+05 2024-05-18 20:56:43,551 INFO [main.py:798]
{rank 0/64} MD step = 427200 step time: 00:00:00.339217 Performance: 41.020 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:56:50,255 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 59.473 -32051 6518.3 -38570 -38570 -1.5036 -21.308 0.31759 7.463e+05 2024-05-18 20:57:25,031 INFO [main.py:798]
{rank 0/64} MD step = 427300 step time: 00:00:00.363627 Performance: 41.020 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:57:53,228 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 59.197 -31946 6488 -38434 -38434 -1.503 -21.309 0.31682 7.4649e+05 2024-05-18 20:58:30,366 INFO [main.py:798]
{rank 0/64} MD step = 427400 step time: 00:00:00.373094 Performance: 41.015 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:58:35,208 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 427400 85480 60.486 -31832 6629.4 -38461 -38461 -1.5028 -21.309 0.31772 7.4666e+05 2024-05-18 20:59:10,674 INFO [main.py:798]
{rank 0/64} MD step = 427500 step time: 00:00:00.347092 Performance: 41.015 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 20:59:17,870 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 59.505 -31916 6521.8 -38438 -38438 -1.5015 -21.31 0.31861 7.4686e+05 2024-05-18 20:59:53,160 INFO [main.py:798]
{rank 0/64} MD step = 427600 step time: 00:00:00.348505 Performance: 41.015 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 21:00:00,414 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 427600 85520 60.104 -31897 6587.5 -38485 -38485 -1.5009 -21.313 0.31928 7.4701e+05 2024-05-18 21:00:34,642 INFO [main.py:798]
{rank 0/64} MD step = 427700 step time: 00:00:00.342197 Performance: 41.015 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 21:00:48,061 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 427700 85540 59.965 -31808 6572.2 -38380 -38380 -1.5015 -21.313 0.31832 7.4719e+05 2024-05-18 21:01:23,353 INFO [main.py:798]
{rank 0/64} MD step = 427800 step time: 00:00:00.374319 Performance: 41.014 ns/day 0.585 hours/ns 2.373 steps/s 2024-05-18 21:01:30,704 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 427800 85560 59.992 -31894 6575.2 -38469 -38469 -1.503 -21.314 0.31796 7.4736e+05 2024-05-18 21:02:05,083 INFO [main.py:798]
{rank 0/64} MD step = 427900 step time: 00:00:00.346048 Performance: 41.014 ns/day 0.585 hours/ns 2.373 steps/s 2024-05-18 21:02:10,678 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 427900 85580 58.834 -32094 6448.3 -38542 -38542 -1.5051 -21.313 0.31969 7.475e+05 2024-05-18 21:02:45,461 INFO [main.py:798]
{rank 0/64} MD step = 428000 step time: 00:00:00.347625 Performance: 41.014 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 21:02:54,243 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428000 85600 60.059 -31933 6582.5 -38516 -38516 -1.5078 -21.314 0.31948 7.4769e+05 2024-05-18 21:03:29,468 INFO [main.py:798]
{rank 0/64} MD step = 428100 step time: 00:00:00.373288 Performance: 41.014 ns/day 0.585 hours/ns 2.373 steps/s 2024-05-18 21:03:37,040 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428100 85620 59.805 -32019 6554.8 -38574 -38574 -1.5109 -21.314 0.31934 7.4785e+05 2024-05-18 21:04:12,731 INFO [main.py:798]
{rank 0/64} MD step = 428200 step time: 00:00:00.370892 Performance: 41.014 ns/day 0.585 hours/ns 2.373 steps/s 2024-05-18 21:04:20,617 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428200 85640 60.768 -31722 6660.3 -38382 -38382 -1.5137 -21.314 0.32112 7.4807e+05 2024-05-18 21:04:55,519 INFO [main.py:798]
{rank 0/64} MD step = 428300 step time: 00:00:00.347256 Performance: 41.013 ns/day 0.585 hours/ns 2.373 steps/s 2024-05-18 21:05:01,308 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428300 85660 59.183 -32092 6486.5 -38579 -38579 -1.5143 -21.313 0.32078 7.4822e+05 2024-05-18 21:05:37,865 INFO [main.py:798]
{rank 0/64} MD step = 428400 step time: 00:00:00.358221 Performance: 41.013 ns/day 0.585 hours/ns 2.373 steps/s 2024-05-18 21:05:43,373 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 60.773 -31814 6660.8 -38475 -38475 -1.5171 -21.313 0.32133 7.4842e+05 2024-05-18 21:06:17,969 INFO [main.py:798]
{rank 0/64} MD step = 428500 step time: 00:00:00.340439 Performance: 41.014 ns/day 0.585 hours/ns 2.373 steps/s 2024-05-18 21:06:23,611 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 60.098 -31916 6586.8 -38503 -38503 -1.5215 -21.315 0.32214 7.4859e+05 2024-05-18 21:06:58,435 INFO [main.py:798]
{rank 0/64} MD step = 428600 step time: 00:00:00.346260 Performance: 41.014 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 21:07:05,759 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428600 85720 60.017 -31938 6578 -38516 -38516 -1.5226 -21.317 0.32261 7.4876e+05 2024-05-18 21:07:40,436 INFO [main.py:798]
{rank 0/64} MD step = 428700 step time: 00:00:00.352185 Performance: 41.014 ns/day 0.585 hours/ns 2.374 steps/s 2024-05-18 21:07:48,689 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 60.664 -31786 6648.8 -38434 -38434 -1.5241 -21.317 0.32458 7.4899e+05 2024-05-18 21:08:23,744 INFO [main.py:798]
{rank 0/64} MD step = 428800 step time: 00:00:00.353220 Performance: 41.014 ns/day 0.585 hours/ns 2.373 steps/s 2024-05-18 21:08:32,364 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428800 85760 60.14 -31853 6591.4 -38445 -38445 -1.5225 -21.315 0.32573 7.4914e+05 2024-05-18 21:09:07,185 INFO [main.py:798]
{rank 0/64} MD step = 428900 step time: 00:00:00.350236 Performance: 41.014 ns/day 0.585 hours/ns 2.373 steps/s 2024-05-18 21:09:13,797 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428900 85780 60.779 -31802 6661.4 -38463 -38463 -1.5211 -21.316 0.326 7.493e+05 2024-05-18 21:09:49,222 INFO [main.py:798]
{rank 0/64} MD step = 429000 step time: 00:00:00.378811 Performance: 41.014 ns/day 0.585 hours/ns 2.373 steps/s 2024-05-18 21:09:58,121 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 59.969 -31785 6572.7 -38358 -38358 -1.5204 -21.317 0.32563 7.4947e+05 2024-05-18 21:10:32,974 INFO [main.py:798]
{rank 0/64} MD step = 429100 step time: 00:00:00.331392 Performance: 41.013 ns/day 0.585 hours/ns 2.373 steps/s 2024-05-18 21:10:40,846 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 429100 85820 60.387 -31867 6618.5 -38486 -38486 -1.5192 -21.319 0.3247 7.4966e+05 2024-05-18 21:11:17,152 INFO [main.py:798]
{rank 0/64} MD step = 429200 step time: 00:00:00.333238 Performance: 41.013 ns/day 0.585 hours/ns 2.373 steps/s 2024-05-18 21:11:27,192 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 429200 85840 60.753 -31832 6658.6 -38491 -38491 -1.5195 -21.321 0.32378 7.4983e+05 2024-05-18 21:12:01,063 INFO [main.py:798]
{rank 0/64} MD step = 429300 step time: 00:00:00.355956 Performance: 41.012 ns/day 0.585 hours/ns 2.373 steps/s 2024-05-18 21:12:11,537 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 59.887 -31813 6563.7 -38376 -38376 -1.5219 -21.321 0.32583 7.5e+05 2024-05-18 21:12:46,100 INFO [main.py:798]
{rank 0/64} MD step = 429400 step time: 00:00:00.352591 Performance: 41.012 ns/day 0.585 hours/ns 2.373 steps/s 2024-05-18 21:12:53,993 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 60.153 -31873 6592.9 -38466 -38466 -1.5226 -21.321 0.32673 7.5019e+05 2024-05-18 21:13:27,938 INFO [main.py:798]
{rank 0/64} MD step = 429500 step time: 00:00:00.343668 Performance: 41.012 ns/day 0.585 hours/ns 2.373 steps/s 2024-05-18 21:13:34,757 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 429500 85900 60.665 -31790 6648.9 -38438 -38438 -1.5224 -21.322 0.32594 7.5038e+05 2024-05-18 21:14:09,158 INFO [main.py:798]
{rank 0/64} MD step = 429600 step time: 00:00:00.352720 Performance: 41.012 ns/day 0.585 hours/ns 2.373 steps/s 2024-05-18 21:14:21,250 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 429600 85920 60.048 -31784 6581.3 -38365 -38365 -1.521 -21.323 0.32779 7.5057e+05 2024-05-18 21:14:55,906 INFO [main.py:798]
{rank 0/64} MD step = 429700 step time: 00:00:00.350005 Performance: 41.011 ns/day 0.585 hours/ns 2.373 steps/s 2024-05-18 21:15:02,857 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 59.804 -31777 6554.6 -38331 -38331 -1.5205 -21.323 0.32769 7.5074e+05 2024-05-18 21:15:38,174 INFO [main.py:798]
{rank 0/64} MD step = 429800 step time: 00:00:00.360238 Performance: 41.011 ns/day 0.585 hours/ns 2.373 steps/s 2024-05-18 21:15:44,140 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 429800 85960 59.604 -32006 6532.6 -38538 -38538 -1.52 -21.324 0.32952 7.5088e+05 2024-05-18 21:16:18,557 INFO [main.py:798]
{rank 0/64} MD step = 429900 step time: 00:00:00.356001 Performance: 41.011 ns/day 0.585 hours/ns 2.373 steps/s 2024-05-18 21:16:26,465 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 60.144 -31862 6591.9 -38454 -38454 -1.5196 -21.325 0.33068 7.5108e+05 2024-05-18 21:17:01,661 INFO [main.py:798]
{rank 0/64} MD step = 430000 step time: 00:00:00.353596 Performance: 41.011 ns/day 0.585 hours/ns 2.373 steps/s 2024-05-18 21:17:07,387 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 58.909 -31906 6456.5 -38363 -38363 -1.5216 -21.324 0.32999 7.5127e+05 2024-05-18 21:17:41,803 INFO [main.py:798]
{rank 0/64} MD step = 430100 step time: 00:00:00.363925 Performance: 41.012 ns/day 0.585 hours/ns 2.373 steps/s 2024-05-18 21:17:47,858 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 430100 86020 60.095 -31819 6586.5 -38406 -38406 -1.5251 -21.324 0.33059 7.5147e+05 2024-05-18 21:18:23,488 INFO [main.py:798]
{rank 0/64} MD step = 430200 step time: 00:00:00.344886 Performance: 41.012 ns/day 0.585 hours/ns 2.373 steps/s 2024-05-18 21:18:30,970 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 430200 86040 59.658 -31895 6538.6 -38433 -38433 -1.526 -21.325 0.32924 7.5164e+05 2024-05-18 21:19:05,505 INFO [main.py:798]
{rank 0/64} MD step = 430300 step time: 00:00:00.350188 Performance: 41.012 ns/day 0.585 hours/ns 2.373 steps/s 2024-05-18 21:19:12,790 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 430300 86060 59.528 -31823 6524.4 -38348 -38348 -1.5236 -21.326 0.33012 7.5186e+05 2024-05-18 21:19:47,120 INFO [main.py:798]
{rank 0/64} MD step = 430400 step time: 00:00:00.350504 Performance: 41.012 ns/day 0.585 hours/ns 2.373 steps/s 2024-05-18 21:19:53,734 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 430400 86080 60.738 -31892 6657 -38549 -38549 -1.523 -21.327 0.32973 7.5199e+05 2024-05-18 21:20:29,043 INFO [main.py:798]
{rank 0/64} MD step = 430500 step time: 00:00:00.352856 Performance: 41.012 ns/day 0.585 hours/ns 2.373 steps/s 2024-05-18 21:20:35,191 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 58.739 -32013 6437.8 -38451 -38451 -1.5227 -21.328 0.32952 7.5214e+05 2024-05-18 21:21:09,709 INFO [main.py:798]
{rank 0/64} MD step = 430600 step time: 00:00:00.352816 Performance: 41.012 ns/day 0.585 hours/ns 2.373 steps/s 2024-05-18 21:21:18,635 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 430600 86120 60.081 -31760 6585 -38345 -38345 -1.5237 -21.328 0.33147 7.5231e+05 2024-05-18 21:21:53,257 INFO [main.py:798]
{rank 0/64} MD step = 430700 step time: 00:00:00.356957 Performance: 41.012 ns/day 0.585 hours/ns 2.373 steps/s 2024-05-18 21:21:59,665 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 430700 86140 60.763 -31643 6659.7 -38303 -38303 -1.5221 -21.329 0.33246 7.525e+05 2024-05-18 21:22:34,085 INFO [main.py:798]
{rank 0/64} MD step = 430800 step time: 00:00:00.353137 Performance: 41.012 ns/day 0.585 hours/ns 2.373 steps/s 2024-05-18 21:22:41,324 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 59.917 -31878 6567 -38445 -38445 -1.5217 -21.329 0.33316 7.5266e+05 2024-05-18 21:23:16,163 INFO [main.py:798]
{rank 0/64} MD step = 430900 step time: 00:00:00.349686 Performance: 41.012 ns/day 0.585 hours/ns 2.373 steps/s 2024-05-18 21:23:21,842 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 60.54 -31766 6635.3 -38401 -38401 -1.5218 -21.329 0.33408 7.5285e+05 2024-05-18 21:23:55,834 INFO [main.py:798]
{rank 0/64} MD step = 431000 step time: 00:00:00.339944 Performance: 41.013 ns/day 0.585 hours/ns 2.373 steps/s 2024-05-18 21:24:02,200 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 59.623 -31979 6534.8 -38514 -38514 -1.5209 -21.33 0.33486 7.5301e+05 2024-05-18 21:24:36,634 INFO [main.py:798]
{rank 0/64} MD step = 431100 step time: 00:00:00.369967 Performance: 41.013 ns/day 0.585 hours/ns 2.373 steps/s 2024-05-18 21:24:43,827 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431100 86220 59.912 -31851 6566.5 -38418 -38418 -1.5194 -21.33 0.33312 7.5323e+05 2024-05-18 21:25:18,266 INFO [main.py:798]
{rank 0/64} MD step = 431200 step time: 00:00:00.356725 Performance: 41.013 ns/day 0.585 hours/ns 2.373 steps/s 2024-05-18 21:25:26,978 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431200 86240 60.176 -31882 6595.4 -38478 -38478 -1.52 -21.331 0.33567 7.5338e+05 2024-05-18 21:26:01,418 INFO [main.py:798]
{rank 0/64} MD step = 431300 step time: 00:00:00.354046 Performance: 41.013 ns/day 0.585 hours/ns 2.373 steps/s 2024-05-18 21:26:21,793 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431300 86260 60.312 -31797 6610.2 -38408 -38408 -1.5217 -21.331 0.3351 7.5355e+05 2024-05-18 21:26:56,838 INFO [main.py:798]
{rank 0/64} MD step = 431400 step time: 00:00:00.382248 Performance: 41.010 ns/day 0.585 hours/ns 2.373 steps/s 2024-05-18 21:27:04,737 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 60.181 -31899 6596 -38494 -38494 -1.5234 -21.331 0.33469 7.5371e+05 2024-05-18 21:27:39,254 INFO [main.py:798]
{rank 0/64} MD step = 431500 step time: 00:00:00.341027 Performance: 41.010 ns/day 0.585 hours/ns 2.373 steps/s 2024-05-18 21:28:19,349 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431500 86300 61.175 -31751 6704.8 -38456 -38456 -1.5232 -21.331 0.33601 7.539e+05 2024-05-18 21:28:53,592 INFO [main.py:798]
{rank 0/64} MD step = 431600 step time: 00:00:00.326075 Performance: 41.003 ns/day 0.585 hours/ns 2.373 steps/s 2024-05-18 21:29:05,132 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431600 86320 60.267 -31986 6605.4 -38591 -38591 -1.5208 -21.333 0.33651 7.5407e+05 2024-05-18 21:29:41,473 INFO [main.py:798]
{rank 0/64} MD step = 431700 step time: 00:00:00.342436 Performance: 41.001 ns/day 0.585 hours/ns 2.373 steps/s 2024-05-18 21:30:10,232 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 60.305 -31866 6609.5 -38476 -38476 -1.519 -21.335 0.33661 7.5423e+05 2024-05-18 21:30:44,088 INFO [main.py:798]
{rank 0/64} MD step = 431800 step time: 00:00:00.349392 Performance: 40.997 ns/day 0.585 hours/ns 2.372 steps/s 2024-05-18 21:30:58,513 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431800 86360 60.072 -31860 6584 -38444 -38444 -1.5203 -21.335 0.33583 7.5441e+05 2024-05-18 21:31:32,597 INFO [main.py:798]
{rank 0/64} MD step = 431900 step time: 00:00:00.345540 Performance: 40.995 ns/day 0.585 hours/ns 2.372 steps/s 2024-05-18 21:31:38,146 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431900 86380 61.007 -31724 6686.4 -38411 -38411 -1.5198 -21.335 0.33463 7.546e+05 2024-05-18 21:32:14,188 INFO [main.py:798]
{rank 0/64} MD step = 432000 step time: 00:00:00.354414 Performance: 40.995 ns/day 0.585 hours/ns 2.372 steps/s 2024-05-18 21:32:21,722 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 432000 86400 61.008 -31882 6686.6 -38569 -38569 -1.5212 -21.335 0.33583 7.5474e+05 2024-05-18 21:32:56,163 INFO [main.py:798]
{rank 0/64} MD step = 432100 step time: 00:00:00.351536 Performance: 40.995 ns/day 0.585 hours/ns 2.372 steps/s 2024-05-18 21:33:04,744 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 432100 86420 59.915 -31915 6566.8 -38481 -38481 -1.5207 -21.336 0.33389 7.5497e+05 2024-05-18 21:33:40,762 INFO [main.py:798]
{rank 0/64} MD step = 432200 step time: 00:00:00.352727 Performance: 40.995 ns/day 0.585 hours/ns 2.372 steps/s 2024-05-18 21:33:47,337 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 432200 86440 60.737 -31820 6656.9 -38477 -38477 -1.5195 -21.337 0.33312 7.5515e+05 2024-05-18 21:34:21,938 INFO [main.py:798]
{rank 0/64} MD step = 432300 step time: 00:00:00.377411 Performance: 40.995 ns/day 0.585 hours/ns 2.372 steps/s 2024-05-18 21:34:30,380 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 59.906 -31906 6565.8 -38472 -38472 -1.5163 -21.337 0.3332 7.5533e+05 2024-05-18 21:35:04,610 INFO [main.py:798]
{rank 0/64} MD step = 432400 step time: 00:00:00.363856 Performance: 40.995 ns/day 0.585 hours/ns 2.372 steps/s 2024-05-18 21:35:10,442 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 432400 86480 59.98 -31782 6573.9 -38356 -38356 -1.5156 -21.339 0.33537 7.555e+05 2024-05-18 21:35:46,146 INFO [main.py:798]
{rank 0/64} MD step = 432500 step time: 00:00:00.354017 Performance: 40.995 ns/day 0.585 hours/ns 2.372 steps/s 2024-05-18 21:35:53,213 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 432500 86500 60.054 -31850 6582 -38432 -38432 -1.5141 -21.34 0.33739 7.5568e+05 2024-05-18 21:36:27,717 INFO [main.py:798]
{rank 0/64} MD step = 432600 step time: 00:00:00.350618 Performance: 40.995 ns/day 0.585 hours/ns 2.372 steps/s 2024-05-18 21:36:33,952 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 432600 86520 60.539 -31852 6635.2 -38488 -38488 -1.5139 -21.34 0.33651 7.558e+05 2024-05-18 21:37:08,759 INFO [main.py:798]
{rank 0/64} MD step = 432700 step time: 00:00:00.341910 Performance: 40.996 ns/day 0.585 hours/ns 2.372 steps/s 2024-05-18 21:37:18,677 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 60.272 -31904 6605.8 -38510 -38510 -1.5162 -21.34 0.33543 7.5595e+05 2024-05-18 21:37:53,121 INFO [main.py:798]
{rank 0/64} MD step = 432800 step time: 00:00:00.338773 Performance: 40.995 ns/day 0.585 hours/ns 2.372 steps/s 2024-05-18 21:38:02,338 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 432800 86560 59.009 -31889 6467.5 -38357 -38357 -1.5188 -21.34 0.3351 7.5615e+05 2024-05-18 21:38:36,955 INFO [main.py:798]
{rank 0/64} MD step = 432900 step time: 00:00:00.338377 Performance: 40.995 ns/day 0.585 hours/ns 2.372 steps/s 2024-05-18 21:38:43,300 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 432900 86580 59.799 -31847 6554 -38401 -38401 -1.5205 -21.34 0.3361 7.563e+05 2024-05-18 21:39:18,107 INFO [main.py:798]
{rank 0/64} MD step = 433000 step time: 00:00:00.330807 Performance: 40.995 ns/day 0.585 hours/ns 2.372 steps/s 2024-05-18 21:39:26,579 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 433000 86600 60.33 -31706 6612.3 -38318 -38318 -1.5186 -21.34 0.33614 7.5648e+05 2024-05-18 21:40:01,128 INFO [main.py:798]
{rank 0/64} MD step = 433100 step time: 00:00:00.351989 Performance: 40.995 ns/day 0.585 hours/ns 2.372 steps/s 2024-05-18 21:40:08,596 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 60.203 -31830 6598.3 -38428 -38428 -1.5179 -21.34 0.3368 7.5666e+05 2024-05-18 21:40:43,473 INFO [main.py:798]
{rank 0/64} MD step = 433200 step time: 00:00:00.357114 Performance: 40.995 ns/day 0.585 hours/ns 2.372 steps/s 2024-05-18 21:40:49,448 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 433200 86640 60.238 -31819 6602.2 -38421 -38421 -1.5176 -21.341 0.33634 7.5682e+05 2024-05-18 21:41:24,876 INFO [main.py:798]
{rank 0/64} MD step = 433300 step time: 00:00:00.361231 Performance: 40.995 ns/day 0.585 hours/ns 2.372 steps/s 2024-05-18 21:41:30,854 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 59.395 -32090 6509.7 -38600 -38600 -1.5186 -21.341 0.33655 7.5699e+05 2024-05-18 21:42:06,398 INFO [main.py:798]
{rank 0/64} MD step = 433400 step time: 00:00:00.351588 Performance: 40.995 ns/day 0.585 hours/ns 2.372 steps/s 2024-05-18 21:42:14,531 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 60.215 -31880 6599.7 -38479 -38479 -1.519 -21.341 0.33657 7.5716e+05 2024-05-18 21:42:49,670 INFO [main.py:798]
{rank 0/64} MD step = 433500 step time: 00:00:00.346477 Performance: 40.995 ns/day 0.585 hours/ns 2.372 steps/s 2024-05-18 21:42:57,090 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 433500 86700 59.995 -31896 6575.5 -38471 -38471 -1.52 -21.342 0.33724 7.5734e+05 2024-05-18 21:43:32,937 INFO [main.py:798]
{rank 0/64} MD step = 433600 step time: 00:00:00.341651 Performance: 40.994 ns/day 0.585 hours/ns 2.372 steps/s 2024-05-18 21:43:41,475 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 433600 86720 59.783 -31817 6552.3 -38369 -38369 -1.5197 -21.342 0.33598 7.5754e+05 2024-05-18 21:44:15,570 INFO [main.py:798]
{rank 0/64} MD step = 433700 step time: 00:00:00.347843 Performance: 40.994 ns/day 0.585 hours/ns 2.372 steps/s 2024-05-18 21:44:42,201 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 433700 86740 60.411 -31829 6621.2 -38450 -38450 -1.5196 -21.342 0.33553 7.5771e+05 2024-05-18 21:45:15,220 INFO [main.py:798]
{rank 0/64} MD step = 433800 step time: 00:00:00.330075 Performance: 40.990 ns/day 0.586 hours/ns 2.372 steps/s 2024-05-18 21:45:19,142 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 433800 86760 60.015 -31911 6577.7 -38489 -38489 -1.5215 -21.343 0.3342 7.579e+05 2024-05-18 21:45:57,000 INFO [main.py:798]
{rank 0/64} MD step = 433900 step time: 00:00:00.335118 Performance: 40.990 ns/day 0.586 hours/ns 2.372 steps/s 2024-05-18 21:46:03,974 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 433900 86780 59.941 -31863 6569.6 -38432 -38432 -1.5223 -21.345 0.33543 7.5809e+05 2024-05-18 21:46:40,871 INFO [main.py:798]
{rank 0/64} MD step = 434000 step time: 00:00:00.329961 Performance: 40.990 ns/day 0.586 hours/ns 2.372 steps/s 2024-05-18 21:46:47,667 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 434000 86800 60.62 -31728 6644 -38372 -38372 -1.5199 -21.347 0.3351 7.5825e+05 2024-05-18 21:47:22,571 INFO [main.py:798]
{rank 0/64} MD step = 434100 step time: 00:00:00.335869 Performance: 40.990 ns/day 0.586 hours/ns 2.372 steps/s 2024-05-18 21:47:28,726 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 434100 86820 60.23 -31974 6601.3 -38575 -38575 -1.5189 -21.348 0.33762 7.584e+05 2024-05-18 21:48:04,454 INFO [main.py:798]
{rank 0/64} MD step = 434200 step time: 00:00:00.335568 Performance: 40.990 ns/day 0.586 hours/ns 2.372 steps/s 2024-05-18 21:48:11,907 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 60.125 -31832 6589.8 -38422 -38422 -1.5189 -21.349 0.33805 7.5858e+05 2024-05-18 21:48:46,505 INFO [main.py:798]
{rank 0/64} MD step = 434300 step time: 00:00:00.344723 Performance: 40.990 ns/day 0.586 hours/ns 2.372 steps/s 2024-05-18 21:48:51,791 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 434300 86860 60.155 -31950 6593.1 -38543 -38543 -1.5183 -21.35 0.33879 7.5876e+05 2024-05-18 21:49:27,754 INFO [main.py:798]
{rank 0/64} MD step = 434400 step time: 00:00:00.335817 Performance: 40.990 ns/day 0.586 hours/ns 2.372 steps/s 2024-05-18 21:49:33,566 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 434400 86880 59.385 -31958 6508.6 -38467 -38467 -1.5188 -21.349 0.33766 7.5893e+05 2024-05-18 21:50:08,151 INFO [main.py:798]
{rank 0/64} MD step = 434500 step time: 00:00:00.330634 Performance: 40.991 ns/day 0.585 hours/ns 2.372 steps/s 2024-05-18 21:50:14,074 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 434500 86900 59.634 -31964 6535.9 -38500 -38500 -1.5194 -21.351 0.33758 7.5913e+05 2024-05-18 21:50:48,647 INFO [main.py:798]
{rank 0/64} MD step = 434600 step time: 00:00:00.330746 Performance: 40.991 ns/day 0.585 hours/ns 2.372 steps/s 2024-05-18 21:50:54,229 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 60.202 -31894 6598.2 -38492 -38492 -1.5199 -21.352 0.33756 7.593e+05 2024-05-18 21:51:31,227 INFO [main.py:798]
{rank 0/64} MD step = 434700 step time: 00:00:00.335235 Performance: 40.991 ns/day 0.585 hours/ns 2.372 steps/s 2024-05-18 21:51:36,364 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 60.634 -31804 6645.5 -38449 -38449 -1.5199 -21.353 0.33713 7.5951e+05 2024-05-18 21:52:11,263 INFO [main.py:798]
{rank 0/64} MD step = 434800 step time: 00:00:00.329968 Performance: 40.992 ns/day 0.585 hours/ns 2.372 steps/s 2024-05-18 21:52:17,460 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 434800 86960 59.113 -32015 6478.9 -38494 -38494 -1.5197 -21.354 0.33758 7.5967e+05 2024-05-18 21:52:52,058 INFO [main.py:798]
{rank 0/64} MD step = 434900 step time: 00:00:00.327505 Performance: 40.992 ns/day 0.585 hours/ns 2.372 steps/s 2024-05-18 21:53:00,613 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 59.743 -31834 6547.9 -38382 -38382 -1.5174 -21.354 0.33614 7.5987e+05 2024-05-18 21:53:35,378 INFO [main.py:798]
{rank 0/64} MD step = 435000 step time: 00:00:00.332440 Performance: 40.992 ns/day 0.585 hours/ns 2.372 steps/s 2024-05-18 21:53:41,553 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435000 87000 60.353 -31771 6614.8 -38386 -38386 -1.5161 -21.356 0.33611 7.6004e+05 2024-05-18 21:54:16,334 INFO [main.py:798]
{rank 0/64} MD step = 435100 step time: 00:00:00.333087 Performance: 40.992 ns/day 0.585 hours/ns 2.372 steps/s 2024-05-18 21:54:22,366 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435100 87020 60.119 -31821 6589.1 -38411 -38411 -1.5175 -21.358 0.33633 7.6021e+05 2024-05-18 21:54:58,128 INFO [main.py:798]
{rank 0/64} MD step = 435200 step time: 00:00:00.340719 Performance: 40.992 ns/day 0.585 hours/ns 2.372 steps/s 2024-05-18 21:55:05,828 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435200 87040 60.318 -31837 6610.9 -38448 -38448 -1.52 -21.358 0.33666 7.6036e+05 2024-05-18 21:55:41,034 INFO [main.py:798]
{rank 0/64} MD step = 435300 step time: 00:00:00.329255 Performance: 40.992 ns/day 0.585 hours/ns 2.372 steps/s 2024-05-18 21:55:46,348 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435300 87060 59.915 -31957 6566.8 -38524 -38524 -1.521 -21.358 0.33757 7.6057e+05 2024-05-18 21:56:21,520 INFO [main.py:798]
{rank 0/64} MD step = 435400 step time: 00:00:00.354283 Performance: 40.992 ns/day 0.585 hours/ns 2.372 steps/s 2024-05-18 21:56:28,588 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435400 87080 60.309 -31838 6610 -38448 -38448 -1.5215 -21.359 0.33942 7.6075e+05 2024-05-18 21:57:03,229 INFO [main.py:798]
{rank 0/64} MD step = 435500 step time: 00:00:00.328768 Performance: 40.992 ns/day 0.585 hours/ns 2.372 steps/s 2024-05-18 21:57:12,178 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435500 87100 60.425 -31881 6622.6 -38504 -38504 -1.5227 -21.361 0.34007 7.609e+05 2024-05-18 21:57:48,122 INFO [main.py:798]
{rank 0/64} MD step = 435600 step time: 00:00:00.331512 Performance: 40.992 ns/day 0.585 hours/ns 2.372 steps/s 2024-05-18 21:58:09,071 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435600 87120 59.953 -31936 6570.9 -38507 -38507 -1.5221 -21.361 0.34 7.6107e+05 2024-05-18 21:58:43,381 INFO [main.py:798]
{rank 0/64} MD step = 435700 step time: 00:00:00.351025 Performance: 40.989 ns/day 0.586 hours/ns 2.372 steps/s 2024-05-18 21:58:48,788 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435700 87140 59.734 -31737 6547 -38284 -38284 -1.5196 -21.363 0.34013 7.6128e+05 2024-05-18 21:59:25,277 INFO [main.py:798]
{rank 0/64} MD step = 435800 step time: 00:00:00.389043 Performance: 40.989 ns/day 0.586 hours/ns 2.372 steps/s 2024-05-18 21:59:37,564 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435800 87160 60.312 -31808 6610.2 -38418 -38418 -1.5177 -21.363 0.34106 7.6144e+05 2024-05-18 22:00:19,926 INFO [main.py:798]
{rank 0/64} MD step = 435900 step time: 00:00:00.350510 Performance: 40.986 ns/day 0.586 hours/ns 2.372 steps/s 2024-05-18 22:00:28,219 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 59.894 -31742 6564.4 -38306 -38306 -1.5154 -21.364 0.34009 7.6162e+05 2024-05-18 22:01:03,531 INFO [main.py:798]
{rank 0/64} MD step = 436000 step time: 00:00:00.347405 Performance: 40.986 ns/day 0.586 hours/ns 2.372 steps/s 2024-05-18 22:01:12,322 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 60.177 -31923 6595.5 -38518 -38518 -1.513 -21.365 0.34044 7.618e+05 2024-05-18 22:01:46,609 INFO [main.py:798]
{rank 0/64} MD step = 436100 step time: 00:00:00.353538 Performance: 40.986 ns/day 0.586 hours/ns 2.372 steps/s 2024-05-18 22:01:54,829 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 436100 87220 59.064 -31973 6473.5 -38447 -38447 -1.5106 -21.366 0.34164 7.6195e+05 2024-05-18 22:02:29,907 INFO [main.py:798]
{rank 0/64} MD step = 436200 step time: 00:00:00.343437 Performance: 40.985 ns/day 0.586 hours/ns 2.372 steps/s 2024-05-18 22:02:43,958 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 436200 87240 59.509 -31842 6522.2 -38364 -38364 -1.5103 -21.366 0.34133 7.6213e+05 2024-05-18 22:03:17,760 INFO [main.py:798]
{rank 0/64} MD step = 436300 step time: 00:00:00.333530 Performance: 40.984 ns/day 0.586 hours/ns 2.372 steps/s 2024-05-18 22:03:30,972 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 59.655 -31865 6538.3 -38404 -38404 -1.509 -21.366 0.34112 7.6229e+05 2024-05-18 22:04:07,038 INFO [main.py:798]
{rank 0/64} MD step = 436400 step time: 00:00:00.362050 Performance: 40.982 ns/day 0.586 hours/ns 2.372 steps/s 2024-05-18 22:04:14,396 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 436400 87280 59.29 -31945 6498.3 -38443 -38443 -1.5111 -21.367 0.34228 7.6247e+05 2024-05-18 22:04:49,180 INFO [main.py:798]
{rank 0/64} MD step = 436500 step time: 00:00:00.364224 Performance: 40.982 ns/day 0.586 hours/ns 2.372 steps/s 2024-05-18 22:04:55,706 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 436500 87300 59.619 -31909 6534.3 -38443 -38443 -1.5132 -21.368 0.34293 7.6266e+05 2024-05-18 22:05:30,401 INFO [main.py:798]
{rank 0/64} MD step = 436600 step time: 00:00:00.346765 Performance: 40.983 ns/day 0.586 hours/ns 2.372 steps/s 2024-05-18 22:05:38,604 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 436600 87320 60.503 -31805 6631.2 -38437 -38437 -1.5132 -21.369 0.34383 7.6281e+05 2024-05-18 22:06:12,716 INFO [main.py:798]
{rank 0/64} MD step = 436700 step time: 00:00:00.352376 Performance: 40.983 ns/day 0.586 hours/ns 2.372 steps/s 2024-05-18 22:06:20,200 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 436700 87340 59.648 -31916 6537.5 -38453 -38453 -1.5141 -21.371 0.34431 7.6303e+05 2024-05-18 22:06:54,344 INFO [main.py:798]
{rank 0/64} MD step = 436800 step time: 00:00:00.352945 Performance: 40.983 ns/day 0.586 hours/ns 2.372 steps/s 2024-05-18 22:07:05,077 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 436800 87360 59.114 -31918 6478.9 -38396 -38396 -1.5144 -21.371 0.34432 7.6322e+05 2024-05-18 22:07:40,527 INFO [main.py:798]
{rank 0/64} MD step = 436900 step time: 00:00:00.373262 Performance: 40.982 ns/day 0.586 hours/ns 2.372 steps/s 2024-05-18 22:07:46,615 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 436900 87380 59.051 -31974 6472.1 -38446 -38446 -1.5144 -21.372 0.34464 7.6338e+05 2024-05-18 22:08:23,041 INFO [main.py:798]
{rank 0/64} MD step = 437000 step time: 00:00:00.384684 Performance: 40.982 ns/day 0.586 hours/ns 2.372 steps/s 2024-05-18 22:08:29,531 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437000 87400 60.321 -31918 6611.3 -38529 -38529 -1.515 -21.373 0.34505 7.6354e+05 2024-05-18 22:09:05,126 INFO [main.py:798]
{rank 0/64} MD step = 437100 step time: 00:00:00.377931 Performance: 40.982 ns/day 0.586 hours/ns 2.372 steps/s 2024-05-18 22:09:09,896 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437100 87420 60.894 -31674 6674.1 -38348 -38348 -1.5138 -21.374 0.34655 7.6374e+05 2024-05-18 22:09:46,095 INFO [main.py:798]
{rank 0/64} MD step = 437200 step time: 00:00:00.359005 Performance: 40.982 ns/day 0.586 hours/ns 2.372 steps/s 2024-05-18 22:09:51,924 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437200 87440 59.535 -31774 6525.1 -38299 -38299 -1.5133 -21.375 0.34704 7.6392e+05 2024-05-18 22:10:26,089 INFO [main.py:798]
{rank 0/64} MD step = 437300 step time: 00:00:00.344832 Performance: 40.983 ns/day 0.586 hours/ns 2.372 steps/s 2024-05-18 22:10:32,800 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437300 87460 59.188 -32006 6487 -38493 -38493 -1.5127 -21.377 0.34683 7.6409e+05 2024-05-18 22:11:08,176 INFO [main.py:798]
{rank 0/64} MD step = 437400 step time: 00:00:00.355937 Performance: 40.983 ns/day 0.586 hours/ns 2.372 steps/s 2024-05-18 22:11:17,693 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437400 87480 60.037 -31838 6580.2 -38418 -38418 -1.5115 -21.377 0.34694 7.6427e+05 2024-05-18 22:11:52,262 INFO [main.py:798]
{rank 0/64} MD step = 437500 step time: 00:00:00.361282 Performance: 40.982 ns/day 0.586 hours/ns 2.372 steps/s 2024-05-18 22:12:00,432 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437500 87500 60.031 -31880 6579.5 -38459 -38459 -1.5099 -21.376 0.34669 7.6444e+05 2024-05-18 22:12:34,472 INFO [main.py:798]
{rank 0/64} MD step = 437600 step time: 00:00:00.360616 Performance: 40.982 ns/day 0.586 hours/ns 2.372 steps/s 2024-05-18 22:12:40,796 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437600 87520 59.915 -31782 6566.8 -38349 -38349 -1.5094 -21.375 0.34651 7.6461e+05 2024-05-18 22:13:15,180 INFO [main.py:798]
{rank 0/64} MD step = 437700 step time: 00:00:00.345857 Performance: 40.982 ns/day 0.586 hours/ns 2.372 steps/s 2024-05-18 22:13:22,743 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 58.976 -31991 6463.9 -38455 -38455 -1.5086 -21.376 0.3476 7.6478e+05 2024-05-18 22:13:57,071 INFO [main.py:798]
{rank 0/64} MD step = 437800 step time: 00:00:00.371346 Performance: 40.982 ns/day 0.586 hours/ns 2.372 steps/s 2024-05-18 22:14:04,950 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437800 87560 60.292 -31702 6608.1 -38310 -38310 -1.5083 -21.377 0.3486 7.6495e+05 2024-05-18 22:14:39,296 INFO [main.py:798]
{rank 0/64} MD step = 437900 step time: 00:00:00.344954 Performance: 40.982 ns/day 0.586 hours/ns 2.372 steps/s 2024-05-18 22:14:46,482 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437900 87580 60.765 -31652 6659.9 -38312 -38312 -1.5086 -21.377 0.35011 7.6511e+05 2024-05-18 22:15:22,036 INFO [main.py:798]
{rank 0/64} MD step = 438000 step time: 00:00:00.380092 Performance: 40.982 ns/day 0.586 hours/ns 2.372 steps/s 2024-05-18 22:15:28,637 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438000 87600 60.223 -31724 6600.5 -38325 -38325 -1.5096 -21.378 0.35017 7.6528e+05 2024-05-18 22:16:03,323 INFO [main.py:798]
{rank 0/64} MD step = 438100 step time: 00:00:00.356400 Performance: 40.983 ns/day 0.586 hours/ns 2.372 steps/s 2024-05-18 22:16:09,107 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438100 87620 59.977 -31818 6573.5 -38392 -38392 -1.5123 -21.379 0.35014 7.6547e+05 2024-05-18 22:16:45,176 INFO [main.py:798]
{rank 0/64} MD step = 438200 step time: 00:00:00.346840 Performance: 40.983 ns/day 0.586 hours/ns 2.372 steps/s 2024-05-18 22:16:54,722 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 60.005 -31761 6576.6 -38338 -38338 -1.5123 -21.38 0.34996 7.6562e+05 2024-05-18 22:17:29,037 INFO [main.py:798]
{rank 0/64} MD step = 438300 step time: 00:00:00.352481 Performance: 40.982 ns/day 0.586 hours/ns 2.372 steps/s 2024-05-18 22:17:36,958 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438300 87660 60.131 -31938 6590.4 -38528 -38528 -1.5125 -21.382 0.34994 7.658e+05 2024-05-18 22:18:11,324 INFO [main.py:798]
{rank 0/64} MD step = 438400 step time: 00:00:00.364101 Performance: 40.982 ns/day 0.586 hours/ns 2.372 steps/s 2024-05-18 22:18:16,708 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438400 87680 60.036 -31911 6580 -38491 -38491 -1.5135 -21.383 0.35082 7.6597e+05 2024-05-18 22:18:51,605 INFO [main.py:798]
{rank 0/64} MD step = 438500 step time: 00:00:00.354226 Performance: 40.983 ns/day 0.586 hours/ns 2.372 steps/s 2024-05-18 22:18:57,502 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438500 87700 60.676 -31902 6650.1 -38552 -38552 -1.516 -21.383 0.35101 7.6611e+05 2024-05-18 22:19:33,795 INFO [main.py:798]
{rank 0/64} MD step = 438600 step time: 00:00:00.327766 Performance: 40.983 ns/day 0.586 hours/ns 2.372 steps/s 2024-05-18 22:20:02,698 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 60.487 -31913 6629.5 -38542 -38542 -1.5174 -21.383 0.35063 7.6628e+05 2024-05-18 22:20:37,018 INFO [main.py:798]
{rank 0/64} MD step = 438700 step time: 00:00:00.350948 Performance: 40.978 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:20:43,713 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438700 87740 60.039 -31750 6580.3 -38331 -38331 -1.519 -21.384 0.35026 7.6652e+05 2024-05-18 22:21:18,458 INFO [main.py:798]
{rank 0/64} MD step = 438800 step time: 00:00:00.365609 Performance: 40.978 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:21:24,532 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 60.488 -31830 6629.6 -38460 -38460 -1.5192 -21.385 0.34947 7.6668e+05 2024-05-18 22:21:59,142 INFO [main.py:798]
{rank 0/64} MD step = 438900 step time: 00:00:00.366592 Performance: 40.978 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:22:05,653 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 61.559 -31568 6746.9 -38315 -38315 -1.5173 -21.386 0.35017 7.6689e+05 2024-05-18 22:22:40,280 INFO [main.py:798]
{rank 0/64} MD step = 439000 step time: 00:00:00.353280 Performance: 40.979 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:22:46,311 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 60.083 -31949 6585.2 -38534 -38534 -1.5163 -21.387 0.35002 7.6702e+05 2024-05-18 22:23:23,375 INFO [main.py:798]
{rank 0/64} MD step = 439100 step time: 00:00:00.383015 Performance: 40.978 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:23:30,987 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439100 87820 60.201 -31841 6598.1 -38439 -38439 -1.5145 -21.387 0.34972 7.6721e+05 2024-05-18 22:24:05,667 INFO [main.py:798]
{rank 0/64} MD step = 439200 step time: 00:00:00.358369 Performance: 40.978 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:24:13,738 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439200 87840 61.353 -31666 6724.3 -38390 -38390 -1.5149 -21.388 0.34891 7.6738e+05 2024-05-18 22:24:49,392 INFO [main.py:798]
{rank 0/64} MD step = 439300 step time: 00:00:00.374905 Performance: 40.978 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:25:02,371 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439300 87860 60.058 -31831 6582.5 -38414 -38414 -1.5158 -21.389 0.34975 7.6754e+05 2024-05-18 22:25:37,433 INFO [main.py:798]
{rank 0/64} MD step = 439400 step time: 00:00:00.362214 Performance: 40.977 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:25:42,883 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 60.322 -31899 6611.4 -38511 -38511 -1.518 -21.391 0.34999 7.6769e+05 2024-05-18 22:26:17,559 INFO [main.py:798]
{rank 0/64} MD step = 439500 step time: 00:00:00.363952 Performance: 40.977 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:26:24,685 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439500 87900 59.552 -31911 6527 -38438 -38438 -1.5193 -21.391 0.35009 7.6787e+05 2024-05-18 22:26:59,982 INFO [main.py:798]
{rank 0/64} MD step = 439600 step time: 00:00:00.357171 Performance: 40.977 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:27:07,427 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 60.515 -31824 6632.5 -38457 -38457 -1.5197 -21.392 0.35051 7.6804e+05 2024-05-18 22:27:42,610 INFO [main.py:798]
{rank 0/64} MD step = 439700 step time: 00:00:00.339931 Performance: 40.977 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:27:55,338 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439700 87940 59.477 -32053 6518.8 -38571 -38571 -1.522 -21.394 0.35179 7.682e+05 2024-05-18 22:28:30,632 INFO [main.py:798]
{rank 0/64} MD step = 439800 step time: 00:00:00.330599 Performance: 40.976 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:28:45,054 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439800 87960 59.983 -31853 6574.2 -38427 -38427 -1.5235 -21.394 0.35397 7.6841e+05 2024-05-18 22:29:19,770 INFO [main.py:798]
{rank 0/64} MD step = 439900 step time: 00:00:00.332317 Performance: 40.974 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:29:26,669 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439900 87980 60.299 -31775 6608.8 -38383 -38383 -1.5239 -21.394 0.35545 7.6861e+05 2024-05-18 22:30:02,209 INFO [main.py:798]
{rank 0/64} MD step = 440000 step time: 00:00:00.336891 Performance: 40.974 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:30:10,790 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 60.702 -31797 6653 -38450 -38450 -1.5247 -21.395 0.35446 7.6875e+05 2024-05-18 22:30:45,356 INFO [main.py:798]
{rank 0/64} MD step = 440100 step time: 00:00:00.341063 Performance: 40.974 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:30:51,842 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440100 88020 60.205 -31755 6598.5 -38354 -38354 -1.5248 -21.394 0.35421 7.6893e+05 2024-05-18 22:31:28,853 INFO [main.py:798]
{rank 0/64} MD step = 440200 step time: 00:00:00.378569 Performance: 40.974 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:31:37,959 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440200 88040 60.465 -31823 6627 -38450 -38450 -1.5292 -21.395 0.35371 7.6913e+05 2024-05-18 22:32:13,994 INFO [main.py:798]
{rank 0/64} MD step = 440300 step time: 00:00:00.345028 Performance: 40.973 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:32:22,416 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440300 88060 60.18 -31925 6595.8 -38520 -38520 -1.5297 -21.396 0.35259 7.6929e+05 2024-05-18 22:32:57,813 INFO [main.py:798]
{rank 0/64} MD step = 440400 step time: 00:00:00.356710 Performance: 40.973 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:33:05,318 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440400 88080 59.943 -31934 6569.9 -38504 -38504 -1.5291 -21.398 0.35202 7.6949e+05 2024-05-18 22:33:40,125 INFO [main.py:798]
{rank 0/64} MD step = 440500 step time: 00:00:00.349078 Performance: 40.973 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:33:49,657 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 59.787 -31984 6552.7 -38536 -38536 -1.5306 -21.398 0.35215 7.6963e+05 2024-05-18 22:34:25,474 INFO [main.py:798]
{rank 0/64} MD step = 440600 step time: 00:00:00.357041 Performance: 40.972 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:34:34,868 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440600 88120 60.369 -31935 6616.6 -38551 -38551 -1.5317 -21.398 0.35265 7.6985e+05 2024-05-18 22:35:09,538 INFO [main.py:798]
{rank 0/64} MD step = 440700 step time: 00:00:00.341693 Performance: 40.972 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:35:18,350 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 59.334 -32042 6503.1 -38545 -38545 -1.5325 -21.4 0.35384 7.7002e+05 2024-05-18 22:35:52,514 INFO [main.py:798]
{rank 0/64} MD step = 440800 step time: 00:00:00.360758 Performance: 40.971 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:36:00,139 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440800 88160 59.716 -31874 6544.9 -38419 -38419 -1.5348 -21.399 0.35398 7.7023e+05 2024-05-18 22:36:34,378 INFO [main.py:798]
{rank 0/64} MD step = 440900 step time: 00:00:00.347289 Performance: 40.971 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:36:41,454 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 59.812 -31871 6555.5 -38427 -38427 -1.5342 -21.4 0.35483 7.7041e+05 2024-05-18 22:37:16,079 INFO [main.py:798]
{rank 0/64} MD step = 441000 step time: 00:00:00.355852 Performance: 40.972 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:37:22,324 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 60.051 -31758 6581.6 -38340 -38340 -1.533 -21.401 0.35618 7.7058e+05 2024-05-18 22:37:56,825 INFO [main.py:798]
{rank 0/64} MD step = 441100 step time: 00:00:00.371649 Performance: 40.972 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:38:01,625 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 441100 88220 60.542 -31820 6635.5 -38455 -38455 -1.5349 -21.401 0.35638 7.7077e+05 2024-05-18 22:38:37,878 INFO [main.py:798]
{rank 0/64} MD step = 441200 step time: 00:00:00.374311 Performance: 40.972 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:38:44,275 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 60.165 -31839 6594.1 -38433 -38433 -1.5349 -21.4 0.35572 7.7094e+05 2024-05-18 22:39:19,189 INFO [main.py:798]
{rank 0/64} MD step = 441300 step time: 00:00:00.360940 Performance: 40.972 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:39:24,588 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 441300 88260 60.078 -31904 6584.6 -38489 -38489 -1.5362 -21.399 0.35671 7.7111e+05 2024-05-18 22:40:01,249 INFO [main.py:798]
{rank 0/64} MD step = 441400 step time: 00:00:00.351678 Performance: 40.972 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:40:08,879 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 60.195 -31913 6597.4 -38511 -38511 -1.5357 -21.4 0.35808 7.7126e+05 2024-05-18 22:40:44,356 INFO [main.py:798]
{rank 0/64} MD step = 441500 step time: 00:00:00.342941 Performance: 40.972 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:40:52,869 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 59.443 -31975 6515 -38490 -38490 -1.5359 -21.4 0.35781 7.7141e+05 2024-05-18 22:41:27,629 INFO [main.py:798]
{rank 0/64} MD step = 441600 step time: 00:00:00.341997 Performance: 40.972 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:41:35,504 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 441600 88320 59.761 -31894 6549.9 -38444 -38444 -1.5368 -21.399 0.3585 7.716e+05 2024-05-18 22:42:11,121 INFO [main.py:798]
{rank 0/64} MD step = 441700 step time: 00:00:00.372604 Performance: 40.972 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:42:18,538 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 60.535 -31774 6634.7 -38409 -38409 -1.5366 -21.399 0.35728 7.7175e+05 2024-05-18 22:42:52,304 INFO [main.py:798]
{rank 0/64} MD step = 441800 step time: 00:00:00.350774 Performance: 40.972 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:42:57,830 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 60.057 -31920 6582.3 -38503 -38503 -1.5371 -21.4 0.35652 7.7193e+05 2024-05-18 22:43:34,482 INFO [main.py:798]
{rank 0/64} MD step = 441900 step time: 00:00:00.343609 Performance: 40.972 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:43:44,371 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 441900 88380 60.082 -31882 6585.1 -38467 -38467 -1.537 -21.401 0.35723 7.7212e+05 2024-05-18 22:44:19,902 INFO [main.py:798]
{rank 0/64} MD step = 442000 step time: 00:00:00.372050 Performance: 40.971 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:44:26,232 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 59.958 -31924 6571.5 -38495 -38495 -1.537 -21.4 0.35544 7.7227e+05 2024-05-18 22:45:00,326 INFO [main.py:798]
{rank 0/64} MD step = 442100 step time: 00:00:00.342489 Performance: 40.971 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:45:08,888 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 59.308 -32023 6500.3 -38524 -38524 -1.5383 -21.4 0.35615 7.7245e+05 2024-05-18 22:45:44,783 INFO [main.py:798]
{rank 0/64} MD step = 442200 step time: 00:00:00.356714 Performance: 40.971 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:45:51,207 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 59.72 -31907 6545.3 -38452 -38452 -1.5418 -21.399 0.35446 7.7264e+05 2024-05-18 22:46:25,825 INFO [main.py:798]
{rank 0/64} MD step = 442300 step time: 00:00:00.379026 Performance: 40.971 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:46:47,418 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 442300 88460 60.706 -31767 6653.5 -38420 -38420 -1.5427 -21.399 0.35325 7.7282e+05 2024-05-18 22:47:22,558 INFO [main.py:798]
{rank 0/64} MD step = 442400 step time: 00:00:00.355892 Performance: 40.968 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:47:31,813 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 442400 88480 59.732 -31994 6546.7 -38541 -38541 -1.5437 -21.4 0.35213 7.7298e+05 2024-05-18 22:48:06,721 INFO [main.py:798]
{rank 0/64} MD step = 442500 step time: 00:00:00.355044 Performance: 40.968 ns/day 0.586 hours/ns 2.371 steps/s 2024-05-18 22:48:56,788 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 442500 88500 60.253 -31755 6603.8 -38359 -38359 -1.545 -21.401 0.35142 7.7318e+05 2024-05-18 22:49:31,109 INFO [main.py:798]
{rank 0/64} MD step = 442600 step time: 00:00:00.344634 Performance: 40.958 ns/day 0.586 hours/ns 2.370 steps/s 2024-05-18 22:49:38,178 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 442600 88520 59.313 -31734 6500.7 -38235 -38235 -1.5476 -21.402 0.35312 7.7335e+05 2024-05-18 22:50:14,807 INFO [main.py:798]
{rank 0/64} MD step = 442700 step time: 00:00:00.333085 Performance: 40.958 ns/day 0.586 hours/ns 2.370 steps/s 2024-05-18 22:50:22,126 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 442700 88540 59.987 -31732 6574.6 -38307 -38307 -1.5468 -21.401 0.3552 7.7355e+05 2024-05-18 22:50:56,810 INFO [main.py:798]
{rank 0/64} MD step = 442800 step time: 00:00:00.358752 Performance: 40.958 ns/day 0.586 hours/ns 2.370 steps/s 2024-05-18 22:51:06,314 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 442800 88560 60.375 -31816 6617.2 -38433 -38433 -1.5469 -21.403 0.35544 7.7372e+05 2024-05-18 22:51:40,387 INFO [main.py:798]
{rank 0/64} MD step = 442900 step time: 00:00:00.354072 Performance: 40.958 ns/day 0.586 hours/ns 2.370 steps/s 2024-05-18 22:51:49,259 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 442900 88580 60.247 -31870 6603.2 -38473 -38473 -1.5472 -21.404 0.35652 7.7389e+05 2024-05-18 22:52:24,199 INFO [main.py:798]
{rank 0/64} MD step = 443000 step time: 00:00:00.347086 Performance: 40.957 ns/day 0.586 hours/ns 2.370 steps/s 2024-05-18 22:52:36,848 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443000 88600 59.905 -31821 6565.7 -38387 -38387 -1.5467 -21.404 0.35512 7.7411e+05 2024-05-18 22:53:11,768 INFO [main.py:798]
{rank 0/64} MD step = 443100 step time: 00:00:00.349077 Performance: 40.956 ns/day 0.586 hours/ns 2.370 steps/s 2024-05-18 22:53:18,125 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 59.63 -31854 6535.5 -38389 -38389 -1.5464 -21.404 0.35473 7.7427e+05 2024-05-18 22:53:52,484 INFO [main.py:798]
{rank 0/64} MD step = 443200 step time: 00:00:00.359065 Performance: 40.957 ns/day 0.586 hours/ns 2.370 steps/s 2024-05-18 22:53:58,827 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443200 88640 59.248 -31973 6493.6 -38466 -38466 -1.5487 -21.406 0.35394 7.7446e+05 2024-05-18 22:54:35,547 INFO [main.py:798]
{rank 0/64} MD step = 443300 step time: 00:00:00.378715 Performance: 40.956 ns/day 0.586 hours/ns 2.370 steps/s 2024-05-18 22:54:41,218 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443300 88660 60.651 -31722 6647.5 -38369 -38369 -1.5491 -21.405 0.35491 7.746e+05 2024-05-18 22:55:15,715 INFO [main.py:798]
{rank 0/64} MD step = 443400 step time: 00:00:00.351547 Performance: 40.957 ns/day 0.586 hours/ns 2.370 steps/s 2024-05-18 22:55:25,311 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443400 88680 59.832 -31873 6557.7 -38430 -38430 -1.5512 -21.405 0.35588 7.7476e+05 2024-05-18 22:55:59,950 INFO [main.py:798]
{rank 0/64} MD step = 443500 step time: 00:00:00.353221 Performance: 40.956 ns/day 0.586 hours/ns 2.370 steps/s 2024-05-18 22:56:07,267 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443500 88700 60.084 -31827 6585.3 -38412 -38412 -1.5519 -21.404 0.35539 7.7494e+05 2024-05-18 22:56:43,302 INFO [main.py:798]
{rank 0/64} MD step = 443600 step time: 00:00:00.394429 Performance: 40.956 ns/day 0.586 hours/ns 2.370 steps/s 2024-05-18 22:56:53,609 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443600 88720 60.153 -32053 6592.8 -38646 -38646 -1.5541 -21.403 0.35751 7.7506e+05 2024-05-18 22:57:28,311 INFO [main.py:798]
{rank 0/64} MD step = 443700 step time: 00:00:00.358531 Performance: 40.955 ns/day 0.586 hours/ns 2.370 steps/s 2024-05-18 22:57:33,780 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443700 88740 60.691 -31761 6651.8 -38413 -38413 -1.5561 -21.405 0.35745 7.753e+05 2024-05-18 22:58:08,904 INFO [main.py:798]
{rank 0/64} MD step = 443800 step time: 00:00:00.357738 Performance: 40.956 ns/day 0.586 hours/ns 2.370 steps/s 2024-05-18 22:58:13,810 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443800 88760 59.464 -31884 6517.3 -38401 -38401 -1.5574 -21.404 0.35767 7.7547e+05 2024-05-18 22:58:50,460 INFO [main.py:798]
{rank 0/64} MD step = 443900 step time: 00:00:00.354549 Performance: 40.956 ns/day 0.586 hours/ns 2.370 steps/s 2024-05-18 22:58:56,482 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443900 88780 59.856 -31958 6560.3 -38519 -38519 -1.5563 -21.404 0.35893 7.7565e+05 2024-05-18 22:59:31,306 INFO [main.py:798]
{rank 0/64} MD step = 444000 step time: 00:00:00.351264 Performance: 40.956 ns/day 0.586 hours/ns 2.370 steps/s 2024-05-18 22:59:36,905 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 59.912 -31936 6566.5 -38502 -38502 -1.5558 -21.402 0.36007 7.7583e+05 2024-05-18 23:00:11,569 INFO [main.py:798]
{rank 0/64} MD step = 444100 step time: 00:00:00.347389 Performance: 40.957 ns/day 0.586 hours/ns 2.370 steps/s 2024-05-18 23:00:28,478 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444100 88820 60.698 -31776 6652.6 -38429 -38429 -1.5556 -21.403 0.36194 7.76e+05 2024-05-18 23:01:03,741 INFO [main.py:798]
{rank 0/64} MD step = 444200 step time: 00:00:00.356745 Performance: 40.954 ns/day 0.586 hours/ns 2.370 steps/s 2024-05-18 23:01:11,605 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444200 88840 59.545 -31851 6526.2 -38378 -38378 -1.555 -21.402 0.36322 7.7619e+05 2024-05-18 23:01:45,819 INFO [main.py:798]
{rank 0/64} MD step = 444300 step time: 00:00:00.350292 Performance: 40.954 ns/day 0.586 hours/ns 2.370 steps/s 2024-05-18 23:02:39,419 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444300 88860 59.669 -31824 6539.8 -38363 -38363 -1.5562 -21.402 0.36417 7.7638e+05 2024-05-18 23:03:14,022 INFO [main.py:798]
{rank 0/64} MD step = 444400 step time: 00:00:00.337283 Performance: 40.944 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:03:21,277 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444400 88880 60.03 -31905 6579.4 -38485 -38485 -1.5545 -21.403 0.36593 7.7655e+05 2024-05-18 23:03:55,781 INFO [main.py:798]
{rank 0/64} MD step = 444500 step time: 00:00:00.344272 Performance: 40.945 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:04:02,531 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444500 88900 60.666 -31932 6649.1 -38581 -38581 -1.5552 -21.401 0.36637 7.7671e+05 2024-05-18 23:04:37,487 INFO [main.py:798]
{rank 0/64} MD step = 444600 step time: 00:00:00.344935 Performance: 40.945 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:04:51,258 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 59.814 -31870 6555.7 -38425 -38425 -1.5562 -21.402 0.36636 7.7689e+05 2024-05-18 23:05:27,519 INFO [main.py:798]
{rank 0/64} MD step = 444700 step time: 00:00:00.336521 Performance: 40.943 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:05:32,112 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444700 88940 60.286 -31787 6607.5 -38395 -38395 -1.5595 -21.402 0.36733 7.7706e+05 2024-05-18 23:06:08,934 INFO [main.py:798]
{rank 0/64} MD step = 444800 step time: 00:00:00.346046 Performance: 40.943 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:06:20,813 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 60.573 -31713 6638.8 -38351 -38351 -1.5631 -21.402 0.36882 7.7723e+05 2024-05-18 23:06:56,600 INFO [main.py:798]
{rank 0/64} MD step = 444900 step time: 00:00:00.347380 Performance: 40.942 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:07:02,810 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444900 88980 60.294 -31783 6608.3 -38392 -38392 -1.5645 -21.402 0.36977 7.774e+05 2024-05-18 23:07:38,634 INFO [main.py:798]
{rank 0/64} MD step = 445000 step time: 00:00:00.332262 Performance: 40.942 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:07:45,616 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 445000 89000 59.81 -31804 6555.2 -38359 -38359 -1.5637 -21.403 0.37087 7.7757e+05 2024-05-18 23:08:19,599 INFO [main.py:798]
{rank 0/64} MD step = 445100 step time: 00:00:00.330851 Performance: 40.942 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:08:25,646 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 445100 89020 59.562 -31861 6528.1 -38389 -38389 -1.5632 -21.401 0.37074 7.7778e+05 2024-05-18 23:09:00,812 INFO [main.py:798]
{rank 0/64} MD step = 445200 step time: 00:00:00.373431 Performance: 40.942 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:09:06,634 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 445200 89040 59.968 -31867 6572.6 -38439 -38439 -1.5632 -21.401 0.37078 7.7795e+05 2024-05-18 23:09:41,098 INFO [main.py:798]
{rank 0/64} MD step = 445300 step time: 00:00:00.362244 Performance: 40.943 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:09:48,386 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 445300 89060 59.429 -31890 6513.4 -38404 -38404 -1.562 -21.401 0.36975 7.7817e+05 2024-05-18 23:10:23,812 INFO [main.py:798]
{rank 0/64} MD step = 445400 step time: 00:00:00.355538 Performance: 40.943 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:10:31,555 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 59.734 -31836 6547 -38383 -38383 -1.5604 -21.401 0.36959 7.7829e+05 2024-05-18 23:11:06,307 INFO [main.py:798]
{rank 0/64} MD step = 445500 step time: 00:00:00.346838 Performance: 40.943 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:11:16,166 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 445500 89100 60.06 -31970 6582.7 -38553 -38553 -1.5591 -21.403 0.37051 7.7849e+05 2024-05-18 23:11:51,558 INFO [main.py:798]
{rank 0/64} MD step = 445600 step time: 00:00:00.346142 Performance: 40.942 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:11:57,915 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 445600 89120 60.377 -31939 6617.3 -38557 -38557 -1.5616 -21.403 0.37084 7.7869e+05 2024-05-18 23:12:32,346 INFO [main.py:798]
{rank 0/64} MD step = 445700 step time: 00:00:00.355102 Performance: 40.942 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:12:39,029 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 59.956 -31911 6571.3 -38482 -38482 -1.5618 -21.403 0.37201 7.7889e+05 2024-05-18 23:13:14,384 INFO [main.py:798]
{rank 0/64} MD step = 445800 step time: 00:00:00.352373 Performance: 40.942 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:13:24,884 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 58.9 -32015 6455.5 -38470 -38470 -1.5615 -21.405 0.37087 7.7903e+05 2024-05-18 23:13:59,405 INFO [main.py:798]
{rank 0/64} MD step = 445900 step time: 00:00:00.372776 Performance: 40.942 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:14:05,532 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 59.363 -31893 6506.2 -38399 -38399 -1.5612 -21.407 0.37291 7.7923e+05 2024-05-18 23:14:41,631 INFO [main.py:798]
{rank 0/64} MD step = 446000 step time: 00:00:00.375051 Performance: 40.942 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:14:49,801 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 60.238 -31896 6602.2 -38499 -38499 -1.5591 -21.409 0.37264 7.7938e+05 2024-05-18 23:15:24,497 INFO [main.py:798]
{rank 0/64} MD step = 446100 step time: 00:00:00.347755 Performance: 40.942 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:15:48,213 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446100 89220 59.595 -31980 6531.7 -38512 -38512 -1.5583 -21.408 0.37256 7.7958e+05 2024-05-18 23:16:24,352 INFO [main.py:798]
{rank 0/64} MD step = 446200 step time: 00:00:00.354781 Performance: 40.938 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:16:31,977 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446200 89240 59.699 -31971 6543.1 -38514 -38514 -1.5568 -21.41 0.3713 7.7976e+05 2024-05-18 23:17:07,994 INFO [main.py:798]
{rank 0/64} MD step = 446300 step time: 00:00:00.327042 Performance: 40.937 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:17:29,512 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446300 89260 60.581 -31751 6639.8 -38391 -38391 -1.5587 -21.41 0.3724 7.7995e+05 2024-05-18 23:18:07,922 INFO [main.py:798]
{rank 0/64} MD step = 446400 step time: 00:00:00.344684 Performance: 40.934 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:18:15,297 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446400 89280 61.101 -31772 6696.8 -38468 -38468 -1.5606 -21.408 0.37367 7.8012e+05 2024-05-18 23:18:49,939 INFO [main.py:798]
{rank 0/64} MD step = 446500 step time: 00:00:00.353185 Performance: 40.934 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:19:04,074 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446500 89300 59.724 -31949 6545.8 -38495 -38495 -1.5617 -21.409 0.37309 7.8027e+05 2024-05-18 23:19:38,847 INFO [main.py:798]
{rank 0/64} MD step = 446600 step time: 00:00:00.350105 Performance: 40.932 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:19:49,341 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 60.504 -31945 6631.4 -38577 -38577 -1.5633 -21.408 0.37341 7.8044e+05 2024-05-18 23:20:24,308 INFO [main.py:798]
{rank 0/64} MD step = 446700 step time: 00:00:00.371907 Performance: 40.932 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:20:31,875 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446700 89340 60.473 -31894 6627.9 -38522 -38522 -1.5646 -21.409 0.3746 7.8064e+05 2024-05-18 23:21:06,524 INFO [main.py:798]
{rank 0/64} MD step = 446800 step time: 00:00:00.361413 Performance: 40.932 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:21:12,680 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 60.277 -32037 6606.4 -38644 -38644 -1.5671 -21.41 0.37454 7.8082e+05 2024-05-18 23:21:47,341 INFO [main.py:798]
{rank 0/64} MD step = 446900 step time: 00:00:00.351996 Performance: 40.932 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:21:56,526 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446900 89380 59.848 -31948 6559.4 -38507 -38507 -1.5677 -21.413 0.37473 7.81e+05 2024-05-18 23:22:33,169 INFO [main.py:798]
{rank 0/64} MD step = 447000 step time: 00:00:00.364969 Performance: 40.931 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:22:42,705 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447000 89400 59.371 -31970 6507.1 -38477 -38477 -1.5661 -21.415 0.37553 7.812e+05 2024-05-18 23:23:15,639 INFO [main.py:798]
{rank 0/64} MD step = 447100 step time: 00:00:00.338911 Performance: 40.931 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:23:22,605 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447100 89420 59.928 -31976 6568.2 -38544 -38544 -1.5651 -21.415 0.37542 7.8138e+05 2024-05-18 23:23:57,271 INFO [main.py:798]
{rank 0/64} MD step = 447200 step time: 00:00:00.345753 Performance: 40.931 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:24:02,441 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447200 89440 60.58 -31856 6639.7 -38496 -38496 -1.5655 -21.416 0.37614 7.8155e+05 2024-05-18 23:24:36,944 INFO [main.py:798]
{rank 0/64} MD step = 447300 step time: 00:00:00.348546 Performance: 40.932 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:24:42,662 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447300 89460 59.866 -31917 6561.4 -38478 -38478 -1.5637 -21.414 0.37549 7.8172e+05 2024-05-18 23:25:17,420 INFO [main.py:798]
{rank 0/64} MD step = 447400 step time: 00:00:00.340327 Performance: 40.932 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:25:23,313 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447400 89480 60.096 -31943 6586.6 -38530 -38530 -1.5623 -21.416 0.37434 7.8187e+05 2024-05-18 23:25:58,276 INFO [main.py:798]
{rank 0/64} MD step = 447500 step time: 00:00:00.356678 Performance: 40.932 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:26:05,366 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447500 89500 60.148 -31849 6592.2 -38442 -38442 -1.5615 -21.415 0.37309 7.8208e+05 2024-05-18 23:26:40,210 INFO [main.py:798]
{rank 0/64} MD step = 447600 step time: 00:00:00.383244 Performance: 40.932 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:26:47,163 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 58.794 -32046 6443.9 -38490 -38490 -1.5609 -21.416 0.37421 7.8223e+05 2024-05-18 23:27:21,284 INFO [main.py:798]
{rank 0/64} MD step = 447700 step time: 00:00:00.348567 Performance: 40.933 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:27:27,481 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447700 89540 59.809 -31923 6555.1 -38479 -38479 -1.5608 -21.417 0.37438 7.8238e+05 2024-05-18 23:28:04,007 INFO [main.py:798]
{rank 0/64} MD step = 447800 step time: 00:00:00.342547 Performance: 40.933 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:28:10,771 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447800 89560 60.029 -31738 6579.2 -38317 -38317 -1.5594 -21.417 0.37469 7.8259e+05 2024-05-18 23:28:46,979 INFO [main.py:798]
{rank 0/64} MD step = 447900 step time: 00:00:00.345261 Performance: 40.932 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:28:53,112 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447900 89580 60.484 -31901 6629.1 -38531 -38531 -1.5568 -21.418 0.37501 7.8276e+05 2024-05-18 23:29:27,779 INFO [main.py:798]
{rank 0/64} MD step = 448000 step time: 00:00:00.373767 Performance: 40.933 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:29:33,872 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 60.432 -31877 6623.4 -38501 -38501 -1.5552 -21.417 0.37819 7.8291e+05 2024-05-18 23:30:08,354 INFO [main.py:798]
{rank 0/64} MD step = 448100 step time: 00:00:00.354387 Performance: 40.933 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:30:18,385 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 60.06 -31770 6582.7 -38352 -38352 -1.556 -21.417 0.37851 7.8308e+05 2024-05-18 23:31:00,862 INFO [main.py:798]
{rank 0/64} MD step = 448200 step time: 00:00:00.353154 Performance: 40.931 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:31:09,246 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 60.025 -31833 6578.8 -38412 -38412 -1.5575 -21.417 0.37774 7.8325e+05 2024-05-18 23:31:44,846 INFO [main.py:798]
{rank 0/64} MD step = 448300 step time: 00:00:00.351341 Performance: 40.930 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:31:53,759 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 448300 89660 60.15 -31874 6592.5 -38467 -38467 -1.56 -21.418 0.37945 7.8342e+05 2024-05-18 23:32:28,095 INFO [main.py:798]
{rank 0/64} MD step = 448400 step time: 00:00:00.347598 Performance: 40.930 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:32:36,203 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 448400 89680 59.433 -31746 6513.9 -38260 -38260 -1.5618 -21.417 0.37979 7.8364e+05 2024-05-18 23:33:11,525 INFO [main.py:798]
{rank 0/64} MD step = 448500 step time: 00:00:00.365639 Performance: 40.930 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:33:21,226 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 60.218 -31792 6599.9 -38392 -38392 -1.562 -21.418 0.38029 7.8378e+05 2024-05-18 23:33:55,253 INFO [main.py:798]
{rank 0/64} MD step = 448600 step time: 00:00:00.357321 Performance: 40.930 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:34:06,354 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 448600 89720 59.712 -31855 6544.5 -38400 -38400 -1.5623 -21.419 0.37969 7.8396e+05 2024-05-18 23:34:40,727 INFO [main.py:798]
{rank 0/64} MD step = 448700 step time: 00:00:00.361135 Performance: 40.929 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:34:49,125 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 448700 89740 59.503 -31823 6521.6 -38344 -38344 -1.5602 -21.419 0.38014 7.8415e+05 2024-05-18 23:35:24,149 INFO [main.py:798]
{rank 0/64} MD step = 448800 step time: 00:00:00.405015 Performance: 40.929 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:35:31,190 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 448800 89760 60.682 -31878 6650.9 -38529 -38529 -1.559 -21.419 0.37845 7.8426e+05 2024-05-18 23:36:05,760 INFO [main.py:798]
{rank 0/64} MD step = 448900 step time: 00:00:00.354227 Performance: 40.929 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:36:16,736 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 448900 89780 59.534 -31837 6525 -38362 -38362 -1.5587 -21.42 0.37753 7.8446e+05 2024-05-18 23:36:51,811 INFO [main.py:798]
{rank 0/64} MD step = 449000 step time: 00:00:00.364699 Performance: 40.928 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:36:58,862 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 449000 89800 60.439 -31812 6624.2 -38436 -38436 -1.5586 -21.421 0.37822 7.8461e+05 2024-05-18 23:37:33,334 INFO [main.py:798]
{rank 0/64} MD step = 449100 step time: 00:00:00.361292 Performance: 40.928 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:37:40,578 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 59.845 -31940 6559.1 -38499 -38499 -1.5587 -21.42 0.37855 7.8478e+05 2024-05-18 23:38:16,963 INFO [main.py:798]
{rank 0/64} MD step = 449200 step time: 00:00:00.345734 Performance: 40.928 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:38:24,665 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 449200 89840 60.118 -32006 6589 -38595 -38595 -1.5583 -21.421 0.37917 7.8495e+05 2024-05-18 23:38:58,970 INFO [main.py:798]
{rank 0/64} MD step = 449300 step time: 00:00:00.338137 Performance: 40.928 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:39:07,180 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 59.331 -31952 6502.8 -38454 -38454 -1.5587 -21.421 0.37747 7.8515e+05 2024-05-18 23:39:41,938 INFO [main.py:798]
{rank 0/64} MD step = 449400 step time: 00:00:00.349178 Performance: 40.928 ns/day 0.586 hours/ns 2.368 steps/s 2024-05-18 23:39:48,316 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 449400 89880 59.964 -31857 6572.1 -38429 -38429 -1.5596 -21.421 0.37911 7.8534e+05 2024-05-18 23:40:22,994 INFO [main.py:798]
{rank 0/64} MD step = 449500 step time: 00:00:00.350896 Performance: 40.928 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:40:32,082 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 449500 89900 60.256 -31748 6604.1 -38352 -38352 -1.5634 -21.42 0.37863 7.8553e+05 2024-05-18 23:41:05,605 INFO [main.py:798]
{rank 0/64} MD step = 449600 step time: 00:00:00.352436 Performance: 40.928 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:41:12,206 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 59.425 -31916 6513.1 -38429 -38429 -1.5645 -21.42 0.37878 7.8568e+05 2024-05-18 23:41:47,443 INFO [main.py:798]
{rank 0/64} MD step = 449700 step time: 00:00:00.344597 Performance: 40.928 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:41:55,793 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 60.621 -31836 6644.1 -38480 -38480 -1.5656 -21.419 0.379 7.8587e+05 2024-05-18 23:42:30,936 INFO [main.py:798]
{rank 0/64} MD step = 449800 step time: 00:00:00.355387 Performance: 40.928 ns/day 0.586 hours/ns 2.368 steps/s 2024-05-18 23:42:35,222 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 449800 89960 60.813 -31920 6665.2 -38586 -38586 -1.5643 -21.419 0.37865 7.8603e+05 2024-05-18 23:43:11,540 INFO [main.py:798]
{rank 0/64} MD step = 449900 step time: 00:00:00.348894 Performance: 40.928 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:43:17,952 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 61.194 -31695 6707 -38402 -38402 -1.5645 -21.419 0.37955 7.8623e+05 2024-05-18 23:43:52,731 INFO [main.py:798]
{rank 0/64} MD step = 450000 step time: 00:00:00.349093 Performance: 40.928 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:43:59,199 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 60.183 -31880 6596.1 -38476 -38476 -1.5652 -21.42 0.37976 7.864e+05 2024-05-18 23:44:35,118 INFO [main.py:798]
{rank 0/64} MD step = 450100 step time: 00:00:00.335615 Performance: 40.928 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:44:43,818 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450100 90020 60.209 -32027 6599 -38626 -38626 -1.564 -21.42 0.38029 7.8658e+05 2024-05-18 23:45:18,758 INFO [main.py:798]
{rank 0/64} MD step = 450200 step time: 00:00:00.364521 Performance: 40.928 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:45:27,118 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450200 90040 59.767 -32025 6550.5 -38575 -38575 -1.5632 -21.421 0.38029 7.8677e+05 2024-05-18 23:46:01,505 INFO [main.py:798]
{rank 0/64} MD step = 450300 step time: 00:00:00.348002 Performance: 40.928 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:46:08,442 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450300 90060 58.644 -32196 6427.5 -38623 -38623 -1.5618 -21.423 0.38052 7.8691e+05 2024-05-18 23:46:43,404 INFO [main.py:798]
{rank 0/64} MD step = 450400 step time: 00:00:00.335553 Performance: 40.928 ns/day 0.586 hours/ns 2.369 steps/s 2024-05-18 23:46:52,346 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450400 90080 60.685 -31702 6651.1 -38353 -38353 -1.5587 -21.422 0.38038 7.8711e+05 2024-05-18 23:47:27,106 INFO [main.py:798]
{rank 0/64} MD step = 450500 step time: 00:00:00.352488 Performance: 40.928 ns/day 0.586 hours/ns 2.368 steps/s 2024-05-18 23:47:44,647 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450500 90100 60.636 -31788 6645.8 -38434 -38434 -1.5554 -21.423 0.38074 7.8728e+05 2024-05-18 23:48:20,736 INFO [main.py:798]
{rank 0/64} MD step = 450600 step time: 00:00:00.378743 Performance: 40.925 ns/day 0.586 hours/ns 2.368 steps/s 2024-05-18 23:48:28,049 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450600 90120 59.9 -31917 6565.2 -38482 -38482 -1.5522 -21.423 0.37934 7.8747e+05 2024-05-18 23:49:02,992 INFO [main.py:798]
{rank 0/64} MD step = 450700 step time: 00:00:00.343489 Performance: 40.925 ns/day 0.586 hours/ns 2.368 steps/s 2024-05-18 23:49:09,615 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450700 90140 60.869 -31695 6671.3 -38366 -38366 -1.5505 -21.423 0.37907 7.8764e+05 2024-05-18 23:49:45,356 INFO [main.py:798]
{rank 0/64} MD step = 450800 step time: 00:00:00.353312 Performance: 40.925 ns/day 0.586 hours/ns 2.368 steps/s 2024-05-18 23:49:52,862 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 59.806 -32035 6554.8 -38590 -38590 -1.5482 -21.424 0.37902 7.8779e+05 2024-05-18 23:50:27,198 INFO [main.py:798]
{rank 0/64} MD step = 450900 step time: 00:00:00.363357 Performance: 40.925 ns/day 0.586 hours/ns 2.368 steps/s 2024-05-18 23:50:34,743 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450900 90180 60.293 -31965 6608.2 -38573 -38573 -1.5445 -21.423 0.3799 7.88e+05 2024-05-18 23:51:09,015 INFO [main.py:798]
{rank 0/64} MD step = 451000 step time: 00:00:00.342755 Performance: 40.925 ns/day 0.586 hours/ns 2.368 steps/s 2024-05-18 23:51:15,894 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 451000 90200 59.776 -31907 6551.5 -38458 -38458 -1.5445 -21.424 0.38004 7.8815e+05 2024-05-18 23:51:50,297 INFO [main.py:798]
{rank 0/64} MD step = 451100 step time: 00:00:00.357785 Performance: 40.925 ns/day 0.586 hours/ns 2.368 steps/s 2024-05-18 23:51:58,074 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 451100 90220 60.037 -31841 6580.1 -38422 -38422 -1.5423 -21.424 0.38006 7.883e+05 2024-05-18 23:52:33,105 INFO [main.py:798]
{rank 0/64} MD step = 451200 step time: 00:00:00.341601 Performance: 40.925 ns/day 0.586 hours/ns 2.368 steps/s 2024-05-18 23:52:41,821 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 451200 90240 60.08 -31913 6584.9 -38497 -38497 -1.5409 -21.425 0.38071 7.8848e+05 2024-05-18 23:53:16,356 INFO [main.py:798]
{rank 0/64} MD step = 451300 step time: 00:00:00.351666 Performance: 40.925 ns/day 0.586 hours/ns 2.368 steps/s 2024-05-18 23:53:22,790 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 451300 90260 60.554 -31760 6636.8 -38397 -38397 -1.5394 -21.426 0.38017 7.8865e+05 2024-05-18 23:53:58,203 INFO [main.py:798]
{rank 0/64} MD step = 451400 step time: 00:00:00.355745 Performance: 40.925 ns/day 0.586 hours/ns 2.368 steps/s 2024-05-18 23:54:04,108 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 451400 90280 59.762 -32088 6549.9 -38638 -38638 -1.5393 -21.427 0.38182 7.888e+05 2024-05-18 23:54:38,583 INFO [main.py:798]
{rank 0/64} MD step = 451500 step time: 00:00:00.345283 Performance: 40.926 ns/day 0.586 hours/ns 2.368 steps/s 2024-05-18 23:55:00,159 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 451500 90300 59.79 -31899 6553.1 -38452 -38452 -1.5407 -21.428 0.38341 7.8899e+05 2024-05-18 23:55:34,571 INFO [main.py:798]
{rank 0/64} MD step = 451600 step time: 00:00:00.353903 Performance: 40.923 ns/day 0.586 hours/ns 2.368 steps/s 2024-05-18 23:55:42,362 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 60.257 -31916 6604.2 -38520 -38520 -1.5379 -21.428 0.38313 7.8916e+05 2024-05-18 23:56:15,829 INFO [main.py:798]
{rank 0/64} MD step = 451700 step time: 00:00:00.353630 Performance: 40.923 ns/day 0.586 hours/ns 2.368 steps/s 2024-05-18 23:56:22,052 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 451700 90340 60.146 -31924 6592.1 -38517 -38517 -1.5376 -21.428 0.38246 7.8935e+05 2024-05-18 23:56:56,575 INFO [main.py:798]
{rank 0/64} MD step = 451800 step time: 00:00:00.365548 Performance: 40.923 ns/day 0.586 hours/ns 2.368 steps/s 2024-05-18 23:57:04,241 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 59.119 -31992 6479.5 -38471 -38471 -1.5351 -21.43 0.38236 7.8952e+05 2024-05-18 23:57:38,396 INFO [main.py:798]
{rank 0/64} MD step = 451900 step time: 00:00:00.341846 Performance: 40.923 ns/day 0.586 hours/ns 2.368 steps/s 2024-05-18 23:57:46,664 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 59.862 -32063 6560.9 -38624 -38624 -1.5311 -21.43 0.38309 7.8969e+05 2024-05-18 23:58:20,767 INFO [main.py:798]
{rank 0/64} MD step = 452000 step time: 00:00:00.345681 Performance: 40.923 ns/day 0.586 hours/ns 2.368 steps/s 2024-05-18 23:58:27,416 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 59.349 -31850 6504.7 -38355 -38355 -1.528 -21.429 0.38175 7.899e+05 2024-05-18 23:59:02,587 INFO [main.py:798]
{rank 0/64} MD step = 452100 step time: 00:00:00.356432 Performance: 40.923 ns/day 0.586 hours/ns 2.368 steps/s 2024-05-18 23:59:11,280 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 452100 90420 59.74 -31917 6547.6 -38465 -38465 -1.5261 -21.429 0.38138 7.9002e+05 2024-05-18 23:59:47,615 INFO [main.py:798]
{rank 0/64} MD step = 452200 step time: 00:00:00.347030 Performance: 40.923 ns/day 0.586 hours/ns 2.368 steps/s 2024-05-18 23:59:56,414 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 452200 90440 60.015 -31936 6577.7 -38514 -38514 -1.5265 -21.43 0.38427 7.9022e+05 2024-05-19 00:00:30,832 INFO [main.py:798]
{rank 0/64} MD step = 452300 step time: 00:00:00.349225 Performance: 40.922 ns/day 0.586 hours/ns 2.368 steps/s 2024-05-19 00:00:36,683 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 59.381 -31964 6508.2 -38472 -38472 -1.5266 -21.43 0.38303 7.9039e+05 2024-05-19 00:01:11,611 INFO [main.py:798]
{rank 0/64} MD step = 452400 step time: 00:00:00.329713 Performance: 40.923 ns/day 0.586 hours/ns 2.368 steps/s 2024-05-19 00:01:40,741 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 452400 90480 59.985 -32019 6574.5 -38593 -38593 -1.5255 -21.429 0.3839 7.9056e+05 2024-05-19 00:02:15,154 INFO [main.py:798]
{rank 0/64} MD step = 452500 step time: 00:00:00.347364 Performance: 40.918 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:02:21,531 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 60.396 -31925 6619.5 -38544 -38544 -1.5256 -21.428 0.38497 7.9072e+05 2024-05-19 00:02:56,012 INFO [main.py:798]
{rank 0/64} MD step = 452600 step time: 00:00:00.367749 Performance: 40.918 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:03:06,935 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 59.421 -32085 6512.6 -38598 -38598 -1.5219 -21.429 0.38627 7.9091e+05 2024-05-19 00:03:41,201 INFO [main.py:798]
{rank 0/64} MD step = 452700 step time: 00:00:00.357943 Performance: 40.918 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:03:49,779 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 60.222 -31878 6600.4 -38478 -38478 -1.5189 -21.431 0.38503 7.9111e+05 2024-05-19 00:04:24,521 INFO [main.py:798]
{rank 0/64} MD step = 452800 step time: 00:00:00.369133 Performance: 40.918 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:04:34,427 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 452800 90560 60.451 -31970 6625.5 -38596 -38596 -1.516 -21.43 0.38356 7.9129e+05 2024-05-19 00:05:08,801 INFO [main.py:798]
{rank 0/64} MD step = 452900 step time: 00:00:00.354466 Performance: 40.917 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:05:17,116 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 59.483 -32031 6519.4 -38550 -38550 -1.514 -21.432 0.38227 7.9147e+05 2024-05-19 00:05:51,333 INFO [main.py:798]
{rank 0/64} MD step = 453000 step time: 00:00:00.335022 Performance: 40.917 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:05:58,117 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453000 90600 59.747 -32035 6548.4 -38583 -38583 -1.5129 -21.432 0.38345 7.9162e+05 2024-05-19 00:06:32,812 INFO [main.py:798]
{rank 0/64} MD step = 453100 step time: 00:00:00.366589 Performance: 40.917 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:06:37,302 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 60.654 -31994 6647.8 -38642 -38642 -1.5124 -21.431 0.38465 7.9179e+05 2024-05-19 00:07:13,812 INFO [main.py:798]
{rank 0/64} MD step = 453200 step time: 00:00:00.354323 Performance: 40.918 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:07:21,454 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453200 90640 59.658 -31895 6538.6 -38434 -38434 -1.5115 -21.431 0.3837 7.9198e+05 2024-05-19 00:07:55,903 INFO [main.py:798]
{rank 0/64} MD step = 453300 step time: 00:00:00.346547 Performance: 40.918 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:08:06,500 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 59.749 -31937 6548.5 -38486 -38486 -1.5103 -21.43 0.38467 7.9216e+05 2024-05-19 00:08:41,930 INFO [main.py:798]
{rank 0/64} MD step = 453400 step time: 00:00:00.353725 Performance: 40.917 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:08:46,444 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453400 90680 59.581 -31858 6530.2 -38388 -38388 -1.5096 -21.431 0.3868 7.9234e+05 2024-05-19 00:09:22,568 INFO [main.py:798]
{rank 0/64} MD step = 453500 step time: 00:00:00.377837 Performance: 40.917 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:09:30,003 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453500 90700 59.495 -31916 6520.7 -38437 -38437 -1.5062 -21.432 0.38737 7.9249e+05 2024-05-19 00:10:05,757 INFO [main.py:798]
{rank 0/64} MD step = 453600 step time: 00:00:00.343781 Performance: 40.917 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:10:14,021 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453600 90720 60.557 -31827 6637.1 -38464 -38464 -1.5044 -21.431 0.3892 7.9269e+05 2024-05-19 00:10:49,092 INFO [main.py:798]
{rank 0/64} MD step = 453700 step time: 00:00:00.353434 Performance: 40.917 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:10:54,741 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453700 90740 58.96 -32035 6462.1 -38497 -38497 -1.5016 -21.432 0.38968 7.9284e+05 2024-05-19 00:11:31,013 INFO [main.py:798]
{rank 0/64} MD step = 453800 step time: 00:00:00.355727 Performance: 40.917 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:11:38,381 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453800 90760 59.297 -31935 6499.1 -38434 -38434 -1.5004 -21.433 0.39018 7.9304e+05 2024-05-19 00:12:13,069 INFO [main.py:798]
{rank 0/64} MD step = 453900 step time: 00:00:00.353969 Performance: 40.917 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:12:20,079 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453900 90780 60.281 -31873 6606.9 -38480 -38480 -1.4992 -21.432 0.39111 7.9318e+05 2024-05-19 00:12:54,778 INFO [main.py:798]
{rank 0/64} MD step = 454000 step time: 00:00:00.347686 Performance: 40.917 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:13:02,281 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 454000 90800 59.51 -32063 6522.4 -38586 -38586 -1.4974 -21.43 0.38916 7.9335e+05 2024-05-19 00:13:36,366 INFO [main.py:798]
{rank 0/64} MD step = 454100 step time: 00:00:00.373688 Performance: 40.917 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:13:44,717 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 59.777 -31936 6551.6 -38488 -38488 -1.4963 -21.43 0.38955 7.9353e+05 2024-05-19 00:14:19,905 INFO [main.py:798]
{rank 0/64} MD step = 454200 step time: 00:00:00.373334 Performance: 40.917 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:14:26,340 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 454200 90840 60.489 -31745 6629.7 -38374 -38374 -1.4959 -21.43 0.38875 7.9372e+05 2024-05-19 00:15:00,769 INFO [main.py:798]
{rank 0/64} MD step = 454300 step time: 00:00:00.349968 Performance: 40.917 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:15:06,932 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 59.093 -31973 6476.6 -38450 -38450 -1.4942 -21.43 0.38755 7.9388e+05 2024-05-19 00:15:41,443 INFO [main.py:798]
{rank 0/64} MD step = 454400 step time: 00:00:00.340432 Performance: 40.917 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:15:56,869 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 59.426 -31982 6513.1 -38495 -38495 -1.4914 -21.43 0.38739 7.9408e+05 2024-05-19 00:16:31,311 INFO [main.py:798]
{rank 0/64} MD step = 454500 step time: 00:00:00.349727 Performance: 40.916 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:16:37,456 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 60.158 -31896 6593.4 -38489 -38489 -1.4897 -21.43 0.38668 7.9423e+05 2024-05-19 00:17:12,413 INFO [main.py:798]
{rank 0/64} MD step = 454600 step time: 00:00:00.359315 Performance: 40.916 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:17:18,680 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 60.902 -31841 6675 -38516 -38516 -1.4909 -21.431 0.38629 7.9443e+05 2024-05-19 00:17:52,080 INFO [main.py:798]
{rank 0/64} MD step = 454700 step time: 00:00:00.342434 Performance: 40.916 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:17:58,744 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 59.799 -31852 6554 -38406 -38406 -1.4907 -21.43 0.38471 7.9463e+05 2024-05-19 00:18:33,360 INFO [main.py:798]
{rank 0/64} MD step = 454800 step time: 00:00:00.352845 Performance: 40.917 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:18:42,815 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 454800 90960 60.815 -31748 6665.4 -38414 -38414 -1.4881 -21.43 0.38427 7.9482e+05 2024-05-19 00:19:17,040 INFO [main.py:798]
{rank 0/64} MD step = 454900 step time: 00:00:00.337094 Performance: 40.916 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:19:24,642 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 454900 90980 59.602 -31960 6532.4 -38493 -38493 -1.486 -21.43 0.38356 7.9498e+05 2024-05-19 00:20:00,878 INFO [main.py:798]
{rank 0/64} MD step = 455000 step time: 00:00:00.330357 Performance: 40.916 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:20:08,545 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455000 91000 61.108 -31786 6697.5 -38484 -38484 -1.4823 -21.431 0.38246 7.9514e+05 2024-05-19 00:20:45,228 INFO [main.py:798]
{rank 0/64} MD step = 455100 step time: 00:00:00.348383 Performance: 40.916 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:20:50,822 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455100 91020 60.057 -31916 6582.4 -38498 -38498 -1.4809 -21.43 0.38067 7.9533e+05 2024-05-19 00:21:25,688 INFO [main.py:798]
{rank 0/64} MD step = 455200 step time: 00:00:00.332682 Performance: 40.916 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:21:32,340 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455200 91040 60.412 -31807 6621.2 -38428 -38428 -1.48 -21.43 0.38078 7.955e+05 2024-05-19 00:22:06,635 INFO [main.py:798]
{rank 0/64} MD step = 455300 step time: 00:00:00.353212 Performance: 40.916 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:22:15,790 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455300 91060 60.184 -31728 6596.2 -38324 -38324 -1.4791 -21.431 0.3812 7.957e+05 2024-05-19 00:22:51,181 INFO [main.py:798]
{rank 0/64} MD step = 455400 step time: 00:00:00.342946 Performance: 40.916 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:22:56,791 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455400 91080 60.377 -31787 6617.4 -38404 -38404 -1.478 -21.432 0.3821 7.9587e+05 2024-05-19 00:23:31,408 INFO [main.py:798]
{rank 0/64} MD step = 455500 step time: 00:00:00.350187 Performance: 40.916 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:23:36,670 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455500 91100 59.696 -31850 6542.8 -38393 -38393 -1.4758 -21.432 0.38232 7.9606e+05 2024-05-19 00:24:13,946 INFO [main.py:798]
{rank 0/64} MD step = 455600 step time: 00:00:00.354194 Performance: 40.916 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:24:20,770 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 59.878 -31863 6562.7 -38426 -38426 -1.4721 -21.432 0.38101 7.962e+05 2024-05-19 00:24:56,924 INFO [main.py:798]
{rank 0/64} MD step = 455700 step time: 00:00:00.357806 Performance: 40.916 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:25:11,433 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455700 91140 60.032 -31785 6579.5 -38364 -38364 -1.4704 -21.432 0.38132 7.9635e+05 2024-05-19 00:25:45,745 INFO [main.py:798]
{rank 0/64} MD step = 455800 step time: 00:00:00.345022 Performance: 40.915 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:25:51,028 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455800 91160 59.704 -31916 6543.6 -38460 -38460 -1.4689 -21.431 0.38094 7.9655e+05 2024-05-19 00:26:25,682 INFO [main.py:798]
{rank 0/64} MD step = 455900 step time: 00:00:00.351818 Performance: 40.915 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:26:33,301 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455900 91180 60.246 -31831 6603 -38434 -38434 -1.4675 -21.43 0.38139 7.9671e+05 2024-05-19 00:27:08,052 INFO [main.py:798]
{rank 0/64} MD step = 456000 step time: 00:00:00.360895 Performance: 40.915 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:27:12,624 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456000 91200 59.599 -32018 6532.1 -38550 -38550 -1.4651 -21.431 0.37926 7.9685e+05 2024-05-19 00:27:50,102 INFO [main.py:798]
{rank 0/64} MD step = 456100 step time: 00:00:00.357600 Performance: 40.915 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:27:57,594 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456100 91220 60.063 -31819 6583 -38401 -38401 -1.4645 -21.431 0.37865 7.9708e+05 2024-05-19 00:28:31,511 INFO [main.py:798]
{rank 0/64} MD step = 456200 step time: 00:00:00.330835 Performance: 40.915 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:28:49,306 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 60.359 -31787 6615.4 -38402 -38402 -1.462 -21.432 0.37842 7.9724e+05 2024-05-19 00:29:23,793 INFO [main.py:798]
{rank 0/64} MD step = 456300 step time: 00:00:00.333889 Performance: 40.913 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:29:31,192 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456300 91260 59.743 -31841 6547.9 -38389 -38389 -1.4598 -21.431 0.37847 7.9739e+05 2024-05-19 00:30:06,110 INFO [main.py:798]
{rank 0/64} MD step = 456400 step time: 00:00:00.330472 Performance: 40.913 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:30:14,832 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456400 91280 60.222 -31812 6600.4 -38413 -38413 -1.4594 -21.431 0.37775 7.9761e+05 2024-05-19 00:30:49,088 INFO [main.py:798]
{rank 0/64} MD step = 456500 step time: 00:00:00.331559 Performance: 40.913 ns/day 0.587 hours/ns 2.368 steps/s 2024-05-19 00:31:07,614 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456500 91300 60.336 -31675 6613 -38288 -38288 -1.4574 -21.43 0.37501 7.9776e+05 2024-05-19 00:31:43,697 INFO [main.py:798]
{rank 0/64} MD step = 456600 step time: 00:00:00.328864 Performance: 40.910 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:31:54,071 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456600 91320 60.572 -31746 6638.7 -38385 -38385 -1.4564 -21.43 0.37421 7.9794e+05 2024-05-19 00:32:28,390 INFO [main.py:798]
{rank 0/64} MD step = 456700 step time: 00:00:00.329931 Performance: 40.910 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:32:43,214 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 59.415 -31794 6512 -38306 -38306 -1.4553 -21.43 0.37515 7.9812e+05 2024-05-19 00:33:20,387 INFO [main.py:798]
{rank 0/64} MD step = 456800 step time: 00:00:00.366172 Performance: 40.908 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:33:28,257 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456800 91360 59.205 -32011 6488.9 -38500 -38500 -1.4543 -21.428 0.37442 7.9826e+05 2024-05-19 00:34:03,222 INFO [main.py:798]
{rank 0/64} MD step = 456900 step time: 00:00:00.366310 Performance: 40.908 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:34:11,810 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 60 -31891 6576 -38467 -38467 -1.4524 -21.429 0.37295 7.9848e+05 2024-05-19 00:34:48,217 INFO [main.py:798]
{rank 0/64} MD step = 457000 step time: 00:00:00.353540 Performance: 40.907 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:34:56,889 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 60.145 -31846 6591.9 -38438 -38438 -1.4524 -21.43 0.37238 7.9864e+05 2024-05-19 00:35:32,814 INFO [main.py:798]
{rank 0/64} MD step = 457100 step time: 00:00:00.373474 Performance: 40.907 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:35:43,180 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 59.359 -31892 6505.8 -38398 -38398 -1.4528 -21.431 0.3737 7.9879e+05 2024-05-19 00:36:18,006 INFO [main.py:798]
{rank 0/64} MD step = 457200 step time: 00:00:00.332826 Performance: 40.906 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:36:25,768 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 457200 91440 59.817 -31660 6556 -38216 -38216 -1.4529 -21.431 0.37522 7.99e+05 2024-05-19 00:37:00,552 INFO [main.py:798]
{rank 0/64} MD step = 457300 step time: 00:00:00.334288 Performance: 40.906 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:37:07,009 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 457300 91460 59.385 -31969 6508.6 -38478 -38478 -1.4523 -21.432 0.37476 7.991e+05 2024-05-19 00:37:42,547 INFO [main.py:798]
{rank 0/64} MD step = 457400 step time: 00:00:00.345870 Performance: 40.906 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:37:49,552 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 60.115 -31846 6588.6 -38435 -38435 -1.4513 -21.431 0.37463 7.9932e+05 2024-05-19 00:38:24,371 INFO [main.py:798]
{rank 0/64} MD step = 457500 step time: 00:00:00.330737 Performance: 40.906 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:38:30,054 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 457500 91500 59.577 -32003 6529.7 -38533 -38533 -1.4499 -21.43 0.37535 7.9946e+05 2024-05-19 00:39:04,882 INFO [main.py:798]
{rank 0/64} MD step = 457600 step time: 00:00:00.329660 Performance: 40.906 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:39:10,764 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 61.206 -31699 6708.2 -38408 -38408 -1.4484 -21.429 0.375 7.9968e+05 2024-05-19 00:39:45,919 INFO [main.py:798]
{rank 0/64} MD step = 457700 step time: 00:00:00.329978 Performance: 40.907 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:39:53,131 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 59.103 -32166 6477.8 -38644 -38644 -1.4475 -21.43 0.37604 7.9981e+05 2024-05-19 00:40:27,675 INFO [main.py:798]
{rank 0/64} MD step = 457800 step time: 00:00:00.338551 Performance: 40.907 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:40:35,821 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 59.01 -31956 6467.6 -38424 -38424 -1.4469 -21.428 0.37678 8.0003e+05 2024-05-19 00:41:10,450 INFO [main.py:798]
{rank 0/64} MD step = 457900 step time: 00:00:00.334758 Performance: 40.907 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:41:17,179 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 457900 91580 60.977 -31985 6683.2 -38668 -38668 -1.4436 -21.428 0.37697 8.0018e+05 2024-05-19 00:41:52,647 INFO [main.py:798]
{rank 0/64} MD step = 458000 step time: 00:00:00.353683 Performance: 40.907 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:41:59,171 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458000 91600 60.575 -31804 6639.1 -38444 -38444 -1.4424 -21.428 0.37798 8.0037e+05 2024-05-19 00:42:34,261 INFO [main.py:798]
{rank 0/64} MD step = 458100 step time: 00:00:00.356961 Performance: 40.907 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:42:40,674 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 60.801 -31713 6663.9 -38376 -38376 -1.4405 -21.43 0.3771 8.0059e+05 2024-05-19 00:43:15,464 INFO [main.py:798]
{rank 0/64} MD step = 458200 step time: 00:00:00.346703 Performance: 40.907 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:43:22,244 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 60.554 -31798 6636.8 -38435 -38435 -1.4378 -21.43 0.37759 8.0072e+05 2024-05-19 00:43:56,685 INFO [main.py:798]
{rank 0/64} MD step = 458300 step time: 00:00:00.360772 Performance: 40.907 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:44:04,059 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458300 91660 60.032 -31864 6579.6 -38444 -38444 -1.4362 -21.429 0.37713 8.0091e+05 2024-05-19 00:44:38,493 INFO [main.py:798]
{rank 0/64} MD step = 458400 step time: 00:00:00.345242 Performance: 40.907 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:44:44,585 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 59.913 -31969 6566.5 -38536 -38536 -1.4315 -21.429 0.37526 8.0105e+05 2024-05-19 00:45:19,083 INFO [main.py:798]
{rank 0/64} MD step = 458500 step time: 00:00:00.356034 Performance: 40.908 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:45:28,237 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458500 91700 59.35 -31998 6504.9 -38502 -38502 -1.4309 -21.429 0.37309 8.0121e+05 2024-05-19 00:46:03,124 INFO [main.py:798]
{rank 0/64} MD step = 458600 step time: 00:00:00.332371 Performance: 40.907 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:46:26,721 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458600 91720 59.78 -31898 6552 -38450 -38450 -1.429 -21.431 0.37149 8.0141e+05 2024-05-19 00:47:00,898 INFO [main.py:798]
{rank 0/64} MD step = 458700 step time: 00:00:00.346434 Performance: 40.904 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:47:07,429 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 60.418 -31887 6621.8 -38508 -38508 -1.4273 -21.432 0.37137 8.0154e+05 2024-05-19 00:47:41,938 INFO [main.py:798]
{rank 0/64} MD step = 458800 step time: 00:00:00.363311 Performance: 40.904 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:47:50,246 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 59.637 -31982 6536.3 -38518 -38518 -1.4254 -21.431 0.37118 8.0175e+05 2024-05-19 00:48:25,346 INFO [main.py:798]
{rank 0/64} MD step = 458900 step time: 00:00:00.365301 Performance: 40.904 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:48:35,103 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458900 91780 59.515 -31935 6522.9 -38458 -38458 -1.4251 -21.431 0.37061 8.0193e+05 2024-05-19 00:49:09,338 INFO [main.py:798]
{rank 0/64} MD step = 459000 step time: 00:00:00.341323 Performance: 40.904 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:49:16,623 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 59.592 -31962 6531.4 -38493 -38493 -1.4257 -21.431 0.36982 8.0207e+05 2024-05-19 00:49:51,664 INFO [main.py:798]
{rank 0/64} MD step = 459100 step time: 00:00:00.357293 Performance: 40.904 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:50:25,320 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459100 91820 59.893 -31837 6564.4 -38401 -38401 -1.4254 -21.431 0.36925 8.023e+05 2024-05-19 00:50:59,705 INFO [main.py:798]
{rank 0/64} MD step = 459200 step time: 00:00:00.358020 Performance: 40.898 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:51:05,779 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459200 91840 59.615 -31960 6533.8 -38493 -38493 -1.4258 -21.43 0.36979 8.0248e+05 2024-05-19 00:51:40,571 INFO [main.py:798]
{rank 0/64} MD step = 459300 step time: 00:00:00.344046 Performance: 40.898 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:51:48,157 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459300 91860 59.611 -32027 6533.5 -38561 -38561 -1.4258 -21.43 0.36926 8.0264e+05 2024-05-19 00:52:22,983 INFO [main.py:798]
{rank 0/64} MD step = 459400 step time: 00:00:00.353320 Performance: 40.898 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:52:27,898 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459400 91880 59.817 -31849 6556 -38405 -38405 -1.4251 -21.431 0.36812 8.0286e+05 2024-05-19 00:53:03,970 INFO [main.py:798]
{rank 0/64} MD step = 459500 step time: 00:00:00.353144 Performance: 40.899 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:53:11,252 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459500 91900 59.69 -31876 6542.1 -38418 -38418 -1.4236 -21.43 0.36859 8.0307e+05 2024-05-19 00:53:46,260 INFO [main.py:798]
{rank 0/64} MD step = 459600 step time: 00:00:00.355806 Performance: 40.899 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:53:57,609 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459600 91920 59.902 -31837 6565.3 -38402 -38402 -1.4211 -21.43 0.3701 8.0323e+05 2024-05-19 00:54:32,709 INFO [main.py:798]
{rank 0/64} MD step = 459700 step time: 00:00:00.354524 Performance: 40.898 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:54:39,479 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459700 91940 60.407 -31844 6620.7 -38464 -38464 -1.4185 -21.431 0.36888 8.0337e+05 2024-05-19 00:55:15,053 INFO [main.py:798]
{rank 0/64} MD step = 459800 step time: 00:00:00.359335 Performance: 40.898 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:55:20,149 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459800 91960 60.153 -31989 6592.8 -38582 -38582 -1.4182 -21.431 0.36922 8.0352e+05 2024-05-19 00:55:55,837 INFO [main.py:798]
{rank 0/64} MD step = 459900 step time: 00:00:00.349948 Performance: 40.898 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:56:01,087 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459900 91980 60.175 -31903 6595.3 -38498 -38498 -1.4178 -21.431 0.3681 8.0372e+05 2024-05-19 00:56:36,313 INFO [main.py:798]
{rank 0/64} MD step = 460000 step time: 00:00:00.369962 Performance: 40.898 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:56:43,098 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460000 92000 59.238 -31895 6492.5 -38387 -38387 -1.4163 -21.433 0.368 8.0392e+05 2024-05-19 00:57:18,184 INFO [main.py:798]
{rank 0/64} MD step = 460100 step time: 00:00:00.356696 Performance: 40.898 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:57:24,179 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460100 92020 60.291 -31910 6608 -38518 -38518 -1.4135 -21.432 0.36787 8.0405e+05 2024-05-19 00:57:58,451 INFO [main.py:798]
{rank 0/64} MD step = 460200 step time: 00:00:00.361368 Performance: 40.899 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:58:08,246 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460200 92040 59.83 -31966 6557.5 -38524 -38524 -1.4135 -21.434 0.36829 8.0423e+05 2024-05-19 00:58:42,608 INFO [main.py:798]
{rank 0/64} MD step = 460300 step time: 00:00:00.374016 Performance: 40.899 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:58:51,413 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460300 92060 60.901 -31763 6674.8 -38438 -38438 -1.414 -21.434 0.36641 8.0439e+05 2024-05-19 00:59:26,437 INFO [main.py:798]
{rank 0/64} MD step = 460400 step time: 00:00:00.340955 Performance: 40.898 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 00:59:31,987 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 60.331 -31901 6612.3 -38513 -38513 -1.4134 -21.435 0.36539 8.0457e+05 2024-05-19 01:00:08,672 INFO [main.py:798]
{rank 0/64} MD step = 460500 step time: 00:00:00.382235 Performance: 40.898 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:00:15,913 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460500 92100 60.709 -31756 6653.8 -38409 -38409 -1.4105 -21.434 0.36642 8.0475e+05 2024-05-19 01:00:49,841 INFO [main.py:798]
{rank 0/64} MD step = 460600 step time: 00:00:00.330212 Performance: 40.898 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:00:57,030 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460600 92120 60.071 -31776 6583.9 -38360 -38360 -1.4081 -21.434 0.36623 8.0492e+05 2024-05-19 01:01:31,285 INFO [main.py:798]
{rank 0/64} MD step = 460700 step time: 00:00:00.353809 Performance: 40.899 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:01:37,502 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460700 92140 60.121 -31909 6589.4 -38498 -38498 -1.4068 -21.434 0.36461 8.0508e+05 2024-05-19 01:02:11,485 INFO [main.py:798]
{rank 0/64} MD step = 460800 step time: 00:00:00.345609 Performance: 40.899 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:02:16,577 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460800 92160 59.007 -31817 6467.3 -38284 -38284 -1.403 -21.433 0.36456 8.0527e+05 2024-05-19 01:02:52,445 INFO [main.py:798]
{rank 0/64} MD step = 460900 step time: 00:00:00.351080 Performance: 40.899 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:02:59,176 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460900 92180 60.495 -31784 6630.3 -38414 -38414 -1.3978 -21.432 0.36573 8.0542e+05 2024-05-19 01:03:34,719 INFO [main.py:798]
{rank 0/64} MD step = 461000 step time: 00:00:00.366779 Performance: 40.899 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:03:41,537 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461000 92200 60.195 -31917 6597.5 -38515 -38515 -1.3962 -21.432 0.36551 8.0558e+05 2024-05-19 01:04:15,666 INFO [main.py:798]
{rank 0/64} MD step = 461100 step time: 00:00:00.360645 Performance: 40.900 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:04:21,234 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461100 92220 60.904 -31792 6675.1 -38467 -38467 -1.3969 -21.433 0.36701 8.0577e+05 2024-05-19 01:04:55,280 INFO [main.py:798]
{rank 0/64} MD step = 461200 step time: 00:00:00.342371 Performance: 40.900 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:05:01,908 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 58.987 -31875 6465.1 -38340 -38340 -1.3974 -21.435 0.3678 8.0597e+05 2024-05-19 01:05:37,880 INFO [main.py:798]
{rank 0/64} MD step = 461300 step time: 00:00:00.378928 Performance: 40.900 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:05:45,041 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461300 92260 60.244 -31700 6602.8 -38303 -38303 -1.3971 -21.434 0.36871 8.0617e+05 2024-05-19 01:06:20,434 INFO [main.py:798]
{rank 0/64} MD step = 461400 step time: 00:00:00.354937 Performance: 40.900 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:06:30,693 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461400 92280 60.028 -31864 6579.2 -38443 -38443 -1.3958 -21.433 0.36964 8.0634e+05 2024-05-19 01:07:04,948 INFO [main.py:798]
{rank 0/64} MD step = 461500 step time: 00:00:00.352694 Performance: 40.899 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:07:11,482 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461500 92300 60.182 -31764 6596.1 -38360 -38360 -1.3937 -21.433 0.36981 8.0656e+05 2024-05-19 01:07:46,371 INFO [main.py:798]
{rank 0/64} MD step = 461600 step time: 00:00:00.348646 Performance: 40.900 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:07:53,330 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461600 92320 60.051 -31875 6581.6 -38457 -38457 -1.3917 -21.432 0.36951 8.0671e+05 2024-05-19 01:08:27,409 INFO [main.py:798]
{rank 0/64} MD step = 461700 step time: 00:00:00.356257 Performance: 40.900 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:08:35,489 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461700 92340 60.207 -31764 6598.8 -38363 -38363 -1.3892 -21.432 0.3704 8.0692e+05 2024-05-19 01:09:10,165 INFO [main.py:798]
{rank 0/64} MD step = 461800 step time: 00:00:00.355186 Performance: 40.900 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:09:15,491 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 59.047 -31887 6471.6 -38359 -38359 -1.385 -21.434 0.37008 8.0708e+05 2024-05-19 01:09:50,688 INFO [main.py:798]
{rank 0/64} MD step = 461900 step time: 00:00:00.342097 Performance: 40.900 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:09:56,902 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 61.421 -31679 6731.8 -38411 -38411 -1.3817 -21.435 0.36935 8.0721e+05 2024-05-19 01:10:31,943 INFO [main.py:798]
{rank 0/64} MD step = 462000 step time: 00:00:00.356619 Performance: 40.900 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:10:39,048 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462000 92400 59.851 -31827 6559.7 -38387 -38387 -1.3784 -21.434 0.36869 8.0742e+05 2024-05-19 01:11:13,630 INFO [main.py:798]
{rank 0/64} MD step = 462100 step time: 00:00:00.347033 Performance: 40.900 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:11:18,839 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 59.676 -31753 6540.5 -38294 -38294 -1.3739 -21.434 0.36713 8.0757e+05 2024-05-19 01:11:58,565 INFO [main.py:798]
{rank 0/64} MD step = 462200 step time: 00:00:00.367366 Performance: 40.900 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:12:04,954 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462200 92440 60.239 -31558 6602.3 -38160 -38160 -1.3707 -21.436 0.36709 8.0776e+05 2024-05-19 01:12:39,520 INFO [main.py:798]
{rank 0/64} MD step = 462300 step time: 00:00:00.354929 Performance: 40.900 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:12:46,716 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 60.356 -31669 6615.1 -38285 -38285 -1.368 -21.434 0.36759 8.079e+05 2024-05-19 01:13:21,666 INFO [main.py:798]
{rank 0/64} MD step = 462400 step time: 00:00:00.355718 Performance: 40.900 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:13:29,171 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 60.341 -31857 6613.5 -38471 -38471 -1.3654 -21.435 0.36711 8.0806e+05 2024-05-19 01:14:03,679 INFO [main.py:798]
{rank 0/64} MD step = 462500 step time: 00:00:00.351118 Performance: 40.900 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:14:10,615 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462500 92500 60.547 -31673 6636 -38309 -38309 -1.3625 -21.433 0.36596 8.0826e+05 2024-05-19 01:14:45,646 INFO [main.py:798]
{rank 0/64} MD step = 462600 step time: 00:00:00.348536 Performance: 40.900 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:14:56,928 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 60.637 -31610 6645.9 -38256 -38256 -1.3608 -21.434 0.36614 8.0844e+05 2024-05-19 01:15:31,340 INFO [main.py:798]
{rank 0/64} MD step = 462700 step time: 00:00:00.364411 Performance: 40.900 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:15:37,794 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462700 92540 60.065 -31937 6583.2 -38520 -38520 -1.3572 -21.435 0.36652 8.0859e+05 2024-05-19 01:16:12,334 INFO [main.py:798]
{rank 0/64} MD step = 462800 step time: 00:00:00.342240 Performance: 40.900 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:16:18,916 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462800 92560 59.698 -31877 6542.9 -38420 -38420 -1.355 -21.434 0.36578 8.0877e+05 2024-05-19 01:16:53,425 INFO [main.py:798]
{rank 0/64} MD step = 462900 step time: 00:00:00.342486 Performance: 40.900 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:17:05,257 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462900 92580 60.471 -31798 6627.7 -38426 -38426 -1.3529 -21.435 0.36631 8.0897e+05 2024-05-19 01:17:40,314 INFO [main.py:798]
{rank 0/64} MD step = 463000 step time: 00:00:00.349115 Performance: 40.899 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:17:48,744 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 59.784 -32049 6552.4 -38601 -38601 -1.3504 -21.436 0.36663 8.0912e+05 2024-05-19 01:18:23,046 INFO [main.py:798]
{rank 0/64} MD step = 463100 step time: 00:00:00.350438 Performance: 40.899 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:18:30,702 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 463100 92620 60.103 -31810 6587.4 -38397 -38397 -1.345 -21.435 0.36499 8.0932e+05 2024-05-19 01:19:04,109 INFO [main.py:798]
{rank 0/64} MD step = 463200 step time: 00:00:00.329913 Performance: 40.899 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:19:13,774 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 463200 92640 59.632 -31834 6535.7 -38370 -38370 -1.3406 -21.436 0.3654 8.0947e+05 2024-05-19 01:19:48,008 INFO [main.py:798]
{rank 0/64} MD step = 463300 step time: 00:00:00.343736 Performance: 40.899 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:19:58,448 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 59.752 -31806 6548.9 -38355 -38355 -1.338 -21.436 0.36613 8.0964e+05 2024-05-19 01:20:33,219 INFO [main.py:798]
{rank 0/64} MD step = 463400 step time: 00:00:00.359670 Performance: 40.898 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:20:39,640 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 463400 92680 60.842 -31760 6668.4 -38428 -38428 -1.3366 -21.435 0.36532 8.0979e+05 2024-05-19 01:21:15,194 INFO [main.py:798]
{rank 0/64} MD step = 463500 step time: 00:00:00.343786 Performance: 40.898 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:21:23,688 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 60.27 -31931 6605.7 -38536 -38536 -1.3355 -21.434 0.36509 8.0994e+05 2024-05-19 01:21:58,095 INFO [main.py:798]
{rank 0/64} MD step = 463600 step time: 00:00:00.356707 Performance: 40.898 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:22:04,902 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 59.993 -31860 6575.3 -38435 -38435 -1.332 -21.434 0.36421 8.1011e+05 2024-05-19 01:22:40,665 INFO [main.py:798]
{rank 0/64} MD step = 463700 step time: 00:00:00.378874 Performance: 40.898 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:22:48,743 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 463700 92740 59.503 -31952 6521.7 -38474 -38474 -1.3284 -21.434 0.36411 8.1026e+05 2024-05-19 01:23:23,240 INFO [main.py:798]
{rank 0/64} MD step = 463800 step time: 00:00:00.345189 Performance: 40.898 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:23:29,640 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 463800 92760 59.326 -31918 6502.2 -38421 -38421 -1.325 -21.433 0.36485 8.1046e+05 2024-05-19 01:24:04,720 INFO [main.py:798]
{rank 0/64} MD step = 463900 step time: 00:00:00.356107 Performance: 40.898 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:24:11,869 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 463900 92780 60.364 -31817 6616 -38433 -38433 -1.3208 -21.433 0.3661 8.1062e+05 2024-05-19 01:24:47,721 INFO [main.py:798]
{rank 0/64} MD step = 464000 step time: 00:00:00.375179 Performance: 40.898 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:24:56,056 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464000 92800 60.238 -31692 6602.1 -38295 -38295 -1.3184 -21.432 0.36619 8.108e+05 2024-05-19 01:25:32,572 INFO [main.py:798]
{rank 0/64} MD step = 464100 step time: 00:00:00.368312 Performance: 40.898 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:25:45,969 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 58.884 -31761 6453.8 -38214 -38214 -1.3148 -21.432 0.36488 8.1099e+05 2024-05-19 01:26:22,840 INFO [main.py:798]
{rank 0/64} MD step = 464200 step time: 00:00:00.352498 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:26:30,591 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464200 92840 60.455 -31763 6625.9 -38389 -38389 -1.3116 -21.432 0.36379 8.1113e+05 2024-05-19 01:27:04,955 INFO [main.py:798]
{rank 0/64} MD step = 464300 step time: 00:00:00.355707 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:27:12,610 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464300 92860 60.434 -31775 6623.6 -38399 -38399 -1.308 -21.432 0.36333 8.1131e+05 2024-05-19 01:27:47,075 INFO [main.py:798]
{rank 0/64} MD step = 464400 step time: 00:00:00.335483 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:27:53,975 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464400 92880 59.544 -31912 6526.1 -38438 -38438 -1.3078 -21.432 0.36031 8.1148e+05 2024-05-19 01:28:28,764 INFO [main.py:798]
{rank 0/64} MD step = 464500 step time: 00:00:00.345576 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:28:34,558 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 60.333 -31652 6612.6 -38265 -38265 -1.3062 -21.431 0.36009 8.1167e+05 2024-05-19 01:29:10,309 INFO [main.py:798]
{rank 0/64} MD step = 464600 step time: 00:00:00.380769 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:29:15,404 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464600 92920 59.698 -31924 6542.9 -38467 -38467 -1.3036 -21.431 0.35922 8.1178e+05 2024-05-19 01:29:50,904 INFO [main.py:798]
{rank 0/64} MD step = 464700 step time: 00:00:00.345808 Performance: 40.897 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:29:56,430 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464700 92940 59.971 -31945 6572.9 -38518 -38518 -1.3001 -21.431 0.35901 8.1198e+05 2024-05-19 01:30:32,561 INFO [main.py:798]
{rank 0/64} MD step = 464800 step time: 00:00:00.377898 Performance: 40.897 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:30:40,183 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464800 92960 59.833 -31805 6557.8 -38363 -38363 -1.2972 -21.431 0.36041 8.122e+05 2024-05-19 01:31:16,095 INFO [main.py:798]
{rank 0/64} MD step = 464900 step time: 00:00:00.373845 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:31:21,863 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464900 92980 60.096 -31817 6586.6 -38404 -38404 -1.295 -21.432 0.35993 8.124e+05 2024-05-19 01:31:58,689 INFO [main.py:798]
{rank 0/64} MD step = 465000 step time: 00:00:00.346737 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:32:11,932 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465000 93000 60.404 -31825 6620.4 -38446 -38446 -1.293 -21.432 0.35998 8.1257e+05 2024-05-19 01:32:46,281 INFO [main.py:798]
{rank 0/64} MD step = 465100 step time: 00:00:00.355673 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:32:52,234 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 59.692 -31997 6542.3 -38539 -38539 -1.2886 -21.432 0.36012 8.1274e+05 2024-05-19 01:33:27,972 INFO [main.py:798]
{rank 0/64} MD step = 465200 step time: 00:00:00.367188 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:33:35,569 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 59.131 -31991 6480.8 -38471 -38471 -1.2841 -21.432 0.35937 8.129e+05 2024-05-19 01:34:09,538 INFO [main.py:798]
{rank 0/64} MD step = 465300 step time: 00:00:00.376392 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:34:16,250 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465300 93060 59.962 -31736 6571.9 -38308 -38308 -1.2813 -21.432 0.35768 8.1311e+05 2024-05-19 01:34:51,821 INFO [main.py:798]
{rank 0/64} MD step = 465400 step time: 00:00:00.365504 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:35:00,095 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465400 93080 59.7 -31910 6543.2 -38454 -38454 -1.2779 -21.435 0.35776 8.1325e+05 2024-05-19 01:35:35,055 INFO [main.py:798]
{rank 0/64} MD step = 465500 step time: 00:00:00.370706 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:35:42,291 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465500 93100 60.366 -31957 6616.2 -38573 -38573 -1.2754 -21.434 0.35592 8.1344e+05 2024-05-19 01:36:16,699 INFO [main.py:798]
{rank 0/64} MD step = 465600 step time: 00:00:00.372440 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:36:22,467 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465600 93120 59.976 -31969 6573.5 -38543 -38543 -1.2737 -21.433 0.35613 8.1364e+05 2024-05-19 01:36:57,285 INFO [main.py:798]
{rank 0/64} MD step = 465700 step time: 00:00:00.348964 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:37:04,214 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 60.403 -31861 6620.2 -38481 -38481 -1.2725 -21.433 0.35594 8.1382e+05 2024-05-19 01:37:38,596 INFO [main.py:798]
{rank 0/64} MD step = 465800 step time: 00:00:00.348204 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:37:42,924 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 59.904 -31924 6565.5 -38490 -38490 -1.2715 -21.434 0.35438 8.1399e+05 2024-05-19 01:38:18,336 INFO [main.py:798]
{rank 0/64} MD step = 465900 step time: 00:00:00.331336 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:38:25,978 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465900 93180 60.165 -31975 6594.2 -38569 -38569 -1.2698 -21.434 0.35457 8.1418e+05 2024-05-19 01:39:00,988 INFO [main.py:798]
{rank 0/64} MD step = 466000 step time: 00:00:00.362259 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:39:08,318 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466000 93200 60.192 -31918 6597.1 -38515 -38515 -1.2674 -21.435 0.35456 8.1433e+05 2024-05-19 01:39:43,987 INFO [main.py:798]
{rank 0/64} MD step = 466100 step time: 00:00:00.333068 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:39:52,291 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466100 93220 60.116 -31906 6588.8 -38494 -38494 -1.2652 -21.434 0.3531 8.1449e+05 2024-05-19 01:40:27,182 INFO [main.py:798]
{rank 0/64} MD step = 466200 step time: 00:00:00.328363 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:40:36,050 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466200 93240 59.185 -32072 6486.7 -38558 -38558 -1.2637 -21.434 0.3532 8.1465e+05 2024-05-19 01:41:11,482 INFO [main.py:798]
{rank 0/64} MD step = 466300 step time: 00:00:00.330325 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:41:17,515 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 59.084 -32054 6475.7 -38529 -38529 -1.261 -21.433 0.3532 8.1483e+05 2024-05-19 01:41:52,084 INFO [main.py:798]
{rank 0/64} MD step = 466400 step time: 00:00:00.337229 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:41:57,993 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466400 93280 59.59 -32057 6531.2 -38588 -38588 -1.257 -21.433 0.35541 8.1501e+05 2024-05-19 01:42:33,134 INFO [main.py:798]
{rank 0/64} MD step = 466500 step time: 00:00:00.329807 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:42:38,557 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466500 93300 60.983 -31939 6683.8 -38623 -38623 -1.2522 -21.434 0.35472 8.1519e+05 2024-05-19 01:43:12,916 INFO [main.py:798]
{rank 0/64} MD step = 466600 step time: 00:00:00.336828 Performance: 40.897 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:43:19,345 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466600 93320 60.615 -31902 6643.4 -38545 -38545 -1.2475 -21.435 0.35493 8.1537e+05 2024-05-19 01:43:54,548 INFO [main.py:798]
{rank 0/64} MD step = 466700 step time: 00:00:00.328707 Performance: 40.897 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:43:59,289 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 61.344 -31722 6723.4 -38445 -38445 -1.2432 -21.435 0.3541 8.1555e+05 2024-05-19 01:44:34,334 INFO [main.py:798]
{rank 0/64} MD step = 466800 step time: 00:00:00.327878 Performance: 40.897 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:44:41,637 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466800 93360 59.742 -31997 6547.8 -38545 -38545 -1.2407 -21.434 0.35274 8.1572e+05 2024-05-19 01:45:17,201 INFO [main.py:798]
{rank 0/64} MD step = 466900 step time: 00:00:00.332608 Performance: 40.897 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:45:24,885 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 59.093 -32115 6476.7 -38591 -38591 -1.2363 -21.434 0.35231 8.1588e+05 2024-05-19 01:46:00,120 INFO [main.py:798]
{rank 0/64} MD step = 467000 step time: 00:00:00.330124 Performance: 40.897 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:46:06,263 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467000 93400 60.753 -31873 6658.6 -38532 -38532 -1.2344 -21.433 0.35282 8.1605e+05 2024-05-19 01:46:40,646 INFO [main.py:798]
{rank 0/64} MD step = 467100 step time: 00:00:00.334291 Performance: 40.897 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:46:45,629 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467100 93420 60.708 -31932 6653.6 -38586 -38586 -1.2321 -21.433 0.35265 8.1622e+05 2024-05-19 01:47:21,797 INFO [main.py:798]
{rank 0/64} MD step = 467200 step time: 00:00:00.335530 Performance: 40.898 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:47:27,333 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467200 93440 59.991 -32089 6575.1 -38664 -38664 -1.2274 -21.433 0.35205 8.164e+05 2024-05-19 01:48:01,899 INFO [main.py:798]
{rank 0/64} MD step = 467300 step time: 00:00:00.334272 Performance: 40.898 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:48:07,575 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467300 93460 59.597 -32014 6531.9 -38545 -38545 -1.2268 -21.433 0.35172 8.1662e+05 2024-05-19 01:48:44,811 INFO [main.py:798]
{rank 0/64} MD step = 467400 step time: 00:00:00.331746 Performance: 40.898 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:49:09,676 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467400 93480 59.165 -32199 6484.5 -38684 -38684 -1.2242 -21.43 0.352 8.1678e+05 2024-05-19 01:49:44,140 INFO [main.py:798]
{rank 0/64} MD step = 467500 step time: 00:00:00.350915 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:49:52,329 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467500 93500 59.317 -32018 6501.2 -38519 -38519 -1.2205 -21.431 0.35329 8.1698e+05 2024-05-19 01:50:26,725 INFO [main.py:798]
{rank 0/64} MD step = 467600 step time: 00:00:00.356355 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:50:35,681 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467600 93520 59.824 -31882 6556.8 -38438 -38438 -1.2145 -21.43 0.3533 8.1715e+05 2024-05-19 01:51:10,318 INFO [main.py:798]
{rank 0/64} MD step = 467700 step time: 00:00:00.355263 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:51:21,671 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467700 93540 60.218 -31851 6600 -38451 -38451 -1.2103 -21.43 0.35467 8.1734e+05 2024-05-19 01:51:56,297 INFO [main.py:798]
{rank 0/64} MD step = 467800 step time: 00:00:00.334988 Performance: 40.893 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:52:07,339 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467800 93560 60.929 -31784 6677.9 -38462 -38462 -1.2051 -21.432 0.35505 8.1752e+05 2024-05-19 01:52:40,754 INFO [main.py:798]
{rank 0/64} MD step = 467900 step time: 00:00:00.362546 Performance: 40.893 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 01:52:46,661 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467900 93580 60.473 -31862 6627.9 -38490 -38490 -1.2034 -21.432 0.35408 8.1769e+05 2024-05-19 01:53:21,155 INFO [main.py:798]
{rank 0/64} MD step = 468000 step time: 00:00:00.341887 Performance: 40.893 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:53:28,175 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 468000 93600 60.794 -31840 6663.1 -38503 -38503 -1.201 -21.431 0.35416 8.1786e+05 2024-05-19 01:54:02,500 INFO [main.py:798]
{rank 0/64} MD step = 468100 step time: 00:00:00.336876 Performance: 40.893 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:54:08,045 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 468100 93620 59.559 -32064 6527.7 -38591 -38591 -1.1973 -21.432 0.3544 8.1804e+05 2024-05-19 01:54:43,109 INFO [main.py:798]
{rank 0/64} MD step = 468200 step time: 00:00:00.353794 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:54:52,297 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 60.419 -31851 6622 -38473 -38473 -1.1946 -21.43 0.35312 8.1824e+05 2024-05-19 01:55:26,779 INFO [main.py:798]
{rank 0/64} MD step = 468300 step time: 00:00:00.355820 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:55:32,606 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 468300 93660 60.762 -31756 6659.6 -38415 -38415 -1.1929 -21.431 0.35303 8.184e+05 2024-05-19 01:56:07,307 INFO [main.py:798]
{rank 0/64} MD step = 468400 step time: 00:00:00.364971 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:56:13,161 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 60.48 -31835 6628.7 -38464 -38464 -1.1896 -21.432 0.35252 8.1857e+05 2024-05-19 01:56:47,819 INFO [main.py:798]
{rank 0/64} MD step = 468500 step time: 00:00:00.354798 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:56:52,624 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 468500 93700 60.302 -32024 6609.2 -38633 -38633 -1.1867 -21.432 0.35184 8.1868e+05 2024-05-19 01:57:28,056 INFO [main.py:798]
{rank 0/64} MD step = 468600 step time: 00:00:00.371117 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:57:34,986 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 59.146 -32132 6482.4 -38615 -38615 -1.1838 -21.433 0.35 8.1888e+05 2024-05-19 01:58:09,317 INFO [main.py:798]
{rank 0/64} MD step = 468700 step time: 00:00:00.342448 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:58:15,186 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 468700 93740 60.718 -31781 6654.8 -38436 -38436 -1.1824 -21.433 0.34933 8.1907e+05 2024-05-19 01:58:50,004 INFO [main.py:798]
{rank 0/64} MD step = 468800 step time: 00:00:00.356576 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:58:57,086 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 468800 93760 60.833 -31748 6667.4 -38416 -38416 -1.1758 -21.433 0.34909 8.1924e+05 2024-05-19 01:59:32,229 INFO [main.py:798]
{rank 0/64} MD step = 468900 step time: 00:00:00.351413 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 01:59:41,123 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 59.569 -32007 6528.8 -38536 -38536 -1.172 -21.433 0.34844 8.1938e+05 2024-05-19 02:00:15,726 INFO [main.py:798]
{rank 0/64} MD step = 469000 step time: 00:00:00.344408 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:00:23,200 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469000 93800 59.352 -32162 6505 -38667 -38667 -1.17 -21.433 0.34859 8.1955e+05 2024-05-19 02:00:57,875 INFO [main.py:798]
{rank 0/64} MD step = 469100 step time: 00:00:00.366388 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:01:08,088 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469100 93820 59.601 -32006 6532.4 -38539 -38539 -1.1668 -21.434 0.3484 8.1976e+05 2024-05-19 02:01:42,168 INFO [main.py:798]
{rank 0/64} MD step = 469200 step time: 00:00:00.337426 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:01:50,440 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469200 93840 60.268 -31962 6605.5 -38568 -38568 -1.1639 -21.433 0.34663 8.1992e+05 2024-05-19 02:02:24,893 INFO [main.py:798]
{rank 0/64} MD step = 469300 step time: 00:00:00.355220 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:02:31,650 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469300 93860 60.859 -31917 6670.2 -38588 -38588 -1.1604 -21.432 0.34554 8.201e+05 2024-05-19 02:03:06,241 INFO [main.py:798]
{rank 0/64} MD step = 469400 step time: 00:00:00.349585 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:03:11,977 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469400 93880 59.554 -31976 6527.2 -38503 -38503 -1.1567 -21.433 0.34566 8.2028e+05 2024-05-19 02:03:46,487 INFO [main.py:798]
{rank 0/64} MD step = 469500 step time: 00:00:00.340151 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:04:02,156 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469500 93900 60.637 -31915 6645.9 -38561 -38561 -1.1533 -21.433 0.34575 8.2045e+05 2024-05-19 02:04:36,822 INFO [main.py:798]
{rank 0/64} MD step = 469600 step time: 00:00:00.370208 Performance: 40.893 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:04:41,910 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469600 93920 60.002 -31979 6576.3 -38556 -38556 -1.1498 -21.433 0.34493 8.2063e+05 2024-05-19 02:05:17,683 INFO [main.py:798]
{rank 0/64} MD step = 469700 step time: 00:00:00.362851 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:05:24,638 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 59.497 -32036 6521 -38557 -38557 -1.1476 -21.434 0.34463 8.208e+05 2024-05-19 02:05:58,369 INFO [main.py:798]
{rank 0/64} MD step = 469800 step time: 00:00:00.357831 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:06:05,373 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469800 93960 59.713 -31984 6544.6 -38529 -38529 -1.1455 -21.434 0.34446 8.2099e+05 2024-05-19 02:06:40,590 INFO [main.py:798]
{rank 0/64} MD step = 469900 step time: 00:00:00.353222 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:06:50,733 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469900 93980 59.211 -32088 6489.6 -38577 -38577 -1.143 -21.435 0.34365 8.2116e+05 2024-05-19 02:07:26,798 INFO [main.py:798]
{rank 0/64} MD step = 470000 step time: 00:00:00.360181 Performance: 40.893 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:07:30,986 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470000 94000 59.838 -31880 6558.3 -38438 -38438 -1.1403 -21.436 0.34479 8.2138e+05 2024-05-19 02:08:07,101 INFO [main.py:798]
{rank 0/64} MD step = 470100 step time: 00:00:00.339481 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:08:13,266 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470100 94020 59.523 -32028 6523.8 -38551 -38551 -1.1369 -21.438 0.34367 8.2157e+05 2024-05-19 02:08:48,036 INFO [main.py:798]
{rank 0/64} MD step = 470200 step time: 00:00:00.336602 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:08:54,879 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470200 94040 60.283 -31860 6607.1 -38467 -38467 -1.1344 -21.438 0.34232 8.2175e+05 2024-05-19 02:09:29,348 INFO [main.py:798]
{rank 0/64} MD step = 470300 step time: 00:00:00.354239 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:09:36,666 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470300 94060 60.982 -31811 6683.7 -38495 -38495 -1.1305 -21.439 0.34227 8.2194e+05 2024-05-19 02:10:10,984 INFO [main.py:798]
{rank 0/64} MD step = 470400 step time: 00:00:00.351600 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:10:18,644 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 59.417 -32074 6512.2 -38586 -38586 -1.1262 -21.44 0.34097 8.2208e+05 2024-05-19 02:10:53,344 INFO [main.py:798]
{rank 0/64} MD step = 470500 step time: 00:00:00.355450 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:11:02,565 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 60.096 -32060 6586.6 -38647 -38647 -1.1228 -21.439 0.34215 8.2225e+05 2024-05-19 02:11:37,494 INFO [main.py:798]
{rank 0/64} MD step = 470600 step time: 00:00:00.357071 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:11:43,853 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 59.363 -31995 6506.3 -38501 -38501 -1.1203 -21.439 0.34135 8.2241e+05 2024-05-19 02:12:18,442 INFO [main.py:798]
{rank 0/64} MD step = 470700 step time: 00:00:00.346197 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:12:23,590 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470700 94140 60.188 -31819 6596.7 -38416 -38416 -1.1178 -21.438 0.3399 8.2262e+05 2024-05-19 02:12:59,436 INFO [main.py:798]
{rank 0/64} MD step = 470800 step time: 00:00:00.351285 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:13:06,346 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470800 94160 59.643 -31873 6537 -38410 -38410 -1.1133 -21.437 0.3401 8.2275e+05 2024-05-19 02:13:40,710 INFO [main.py:798]
{rank 0/64} MD step = 470900 step time: 00:00:00.362786 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:13:47,570 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470900 94180 60.836 -31795 6667.7 -38462 -38462 -1.1129 -21.437 0.33996 8.2294e+05 2024-05-19 02:14:22,186 INFO [main.py:798]
{rank 0/64} MD step = 471000 step time: 00:00:00.352355 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:14:27,995 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471000 94200 60.012 -31890 6577.4 -38467 -38467 -1.111 -21.436 0.3401 8.231e+05 2024-05-19 02:15:02,660 INFO [main.py:798]
{rank 0/64} MD step = 471100 step time: 00:00:00.378024 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:15:11,168 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 60.389 -31910 6618.7 -38528 -38528 -1.1085 -21.438 0.33839 8.2324e+05 2024-05-19 02:15:45,965 INFO [main.py:798]
{rank 0/64} MD step = 471200 step time: 00:00:00.350355 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:15:54,887 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471200 94240 59.602 -32001 6532.4 -38533 -38533 -1.1058 -21.437 0.33815 8.2342e+05 2024-05-19 02:16:29,950 INFO [main.py:798]
{rank 0/64} MD step = 471300 step time: 00:00:00.349487 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:16:35,975 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471300 94260 60.435 -31823 6623.8 -38447 -38447 -1.1033 -21.438 0.33728 8.236e+05 2024-05-19 02:17:10,317 INFO [main.py:798]
{rank 0/64} MD step = 471400 step time: 00:00:00.345339 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:17:16,204 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471400 94280 60.615 -31747 6643.5 -38391 -38391 -1.102 -21.437 0.33672 8.2379e+05 2024-05-19 02:17:50,791 INFO [main.py:798]
{rank 0/64} MD step = 471500 step time: 00:00:00.356493 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:17:57,460 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471500 94300 61.627 -31863 6754.4 -38618 -38618 -1.1 -21.437 0.33716 8.2392e+05 2024-05-19 02:18:32,890 INFO [main.py:798]
{rank 0/64} MD step = 471600 step time: 00:00:00.358598 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:18:39,290 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471600 94320 59.57 -31889 6529 -38418 -38418 -1.0959 -21.438 0.33879 8.2414e+05 2024-05-19 02:19:13,959 INFO [main.py:798]
{rank 0/64} MD step = 471700 step time: 00:00:00.344278 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:19:20,349 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471700 94340 60.198 -31856 6597.8 -38454 -38454 -1.0934 -21.437 0.33974 8.243e+05 2024-05-19 02:19:55,381 INFO [main.py:798]
{rank 0/64} MD step = 471800 step time: 00:00:00.357312 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:20:08,919 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471800 94360 59.661 -31857 6538.9 -38396 -38396 -1.0909 -21.438 0.33973 8.245e+05 2024-05-19 02:20:44,838 INFO [main.py:798]
{rank 0/64} MD step = 471900 step time: 00:00:00.377635 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:20:53,670 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471900 94380 60.38 -31865 6617.7 -38482 -38482 -1.0886 -21.439 0.34219 8.2469e+05 2024-05-19 02:21:27,879 INFO [main.py:798]
{rank 0/64} MD step = 472000 step time: 00:00:00.347949 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:21:36,357 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 60.115 -31878 6588.7 -38466 -38466 -1.0869 -21.439 0.34314 8.2487e+05 2024-05-19 02:22:10,838 INFO [main.py:798]
{rank 0/64} MD step = 472100 step time: 00:00:00.355724 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:22:17,412 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 60.537 -31776 6635 -38411 -38411 -1.0823 -21.439 0.34288 8.2506e+05 2024-05-19 02:22:51,648 INFO [main.py:798]
{rank 0/64} MD step = 472200 step time: 00:00:00.339307 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:22:58,856 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 472200 94440 60.208 -31910 6598.8 -38509 -38509 -1.0801 -21.44 0.34268 8.2522e+05 2024-05-19 02:23:34,734 INFO [main.py:798]
{rank 0/64} MD step = 472300 step time: 00:00:00.438057 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:23:41,542 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 472300 94460 59.027 -32045 6469.4 -38515 -38515 -1.0766 -21.442 0.34196 8.2537e+05 2024-05-19 02:24:17,631 INFO [main.py:798]
{rank 0/64} MD step = 472400 step time: 00:00:00.374088 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:24:24,990 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 59.355 -31922 6505.4 -38427 -38427 -1.0733 -21.441 0.34122 8.2553e+05 2024-05-19 02:24:59,725 INFO [main.py:798]
{rank 0/64} MD step = 472500 step time: 00:00:00.345813 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:25:07,930 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 60.634 -31809 6645.6 -38455 -38455 -1.0702 -21.441 0.34063 8.2574e+05 2024-05-19 02:25:42,811 INFO [main.py:798]
{rank 0/64} MD step = 472600 step time: 00:00:00.353128 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:25:49,951 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 472600 94520 59.958 -31989 6571.5 -38561 -38561 -1.0665 -21.441 0.34114 8.2586e+05 2024-05-19 02:26:24,495 INFO [main.py:798]
{rank 0/64} MD step = 472700 step time: 00:00:00.353399 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:26:30,694 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 472700 94540 60.27 -31910 6605.7 -38515 -38515 -1.0644 -21.441 0.34034 8.2604e+05 2024-05-19 02:27:06,608 INFO [main.py:798]
{rank 0/64} MD step = 472800 step time: 00:00:00.377048 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:27:12,734 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 472800 94560 60.121 -31868 6589.4 -38457 -38457 -1.0605 -21.442 0.33913 8.2624e+05 2024-05-19 02:27:47,516 INFO [main.py:798]
{rank 0/64} MD step = 472900 step time: 00:00:00.352597 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:27:56,364 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 472900 94580 60.272 -31899 6605.9 -38505 -38505 -1.0568 -21.443 0.33794 8.264e+05 2024-05-19 02:28:30,819 INFO [main.py:798]
{rank 0/64} MD step = 473000 step time: 00:00:00.352999 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:28:40,869 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 473000 94600 59.357 -31892 6505.6 -38398 -38398 -1.0539 -21.444 0.33764 8.2662e+05 2024-05-19 02:29:15,357 INFO [main.py:798]
{rank 0/64} MD step = 473100 step time: 00:00:00.342896 Performance: 40.893 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:29:22,718 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 59.652 -32031 6537.9 -38569 -38569 -1.0514 -21.446 0.33579 8.2677e+05 2024-05-19 02:29:57,200 INFO [main.py:798]
{rank 0/64} MD step = 473200 step time: 00:00:00.341898 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:30:03,736 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 60.279 -31819 6606.6 -38426 -38426 -1.0491 -21.447 0.33488 8.2697e+05 2024-05-19 02:30:38,307 INFO [main.py:798]
{rank 0/64} MD step = 473300 step time: 00:00:00.379307 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:30:43,212 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 60.134 -31948 6590.7 -38539 -38539 -1.0476 -21.446 0.33331 8.2714e+05 2024-05-19 02:31:18,395 INFO [main.py:798]
{rank 0/64} MD step = 473400 step time: 00:00:00.339830 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:31:24,042 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 60.257 -31977 6604.2 -38581 -38581 -1.045 -21.446 0.33295 8.2733e+05 2024-05-19 02:32:00,235 INFO [main.py:798]
{rank 0/64} MD step = 473500 step time: 00:00:00.376540 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:32:07,055 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 473500 94700 59.581 -31835 6530.1 -38365 -38365 -1.0431 -21.447 0.33456 8.2749e+05 2024-05-19 02:32:41,770 INFO [main.py:798]
{rank 0/64} MD step = 473600 step time: 00:00:00.360980 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:32:46,315 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 60.035 -31961 6579.9 -38541 -38541 -1.0397 -21.448 0.33421 8.2765e+05 2024-05-19 02:33:21,824 INFO [main.py:798]
{rank 0/64} MD step = 473700 step time: 00:00:00.343724 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:33:28,156 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 473700 94740 59.618 -31964 6534.2 -38498 -38498 -1.0384 -21.449 0.33261 8.2783e+05 2024-05-19 02:34:03,169 INFO [main.py:798]
{rank 0/64} MD step = 473800 step time: 00:00:00.351155 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:34:09,119 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 473800 94760 59.893 -31921 6564.3 -38485 -38485 -1.0368 -21.449 0.33093 8.2803e+05 2024-05-19 02:34:43,806 INFO [main.py:798]
{rank 0/64} MD step = 473900 step time: 00:00:00.355923 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:34:49,317 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 473900 94780 59.678 -31856 6540.8 -38396 -38396 -1.0342 -21.449 0.33049 8.2821e+05 2024-05-19 02:35:24,525 INFO [main.py:798]
{rank 0/64} MD step = 474000 step time: 00:00:00.374607 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:35:31,845 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474000 94800 59.952 -31735 6570.9 -38305 -38305 -1.0309 -21.449 0.33049 8.2843e+05 2024-05-19 02:36:06,485 INFO [main.py:798]
{rank 0/64} MD step = 474100 step time: 00:00:00.361305 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:36:12,378 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474100 94820 59.682 -31896 6541.2 -38437 -38437 -1.0298 -21.45 0.33094 8.2857e+05 2024-05-19 02:36:46,485 INFO [main.py:798]
{rank 0/64} MD step = 474200 step time: 00:00:00.356960 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:36:53,256 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474200 94840 59.891 -31883 6564.1 -38447 -38447 -1.0279 -21.45 0.33227 8.2877e+05 2024-05-19 02:37:28,478 INFO [main.py:798]
{rank 0/64} MD step = 474300 step time: 00:00:00.350548 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:37:35,168 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474300 94860 60.132 -31876 6590.6 -38467 -38467 -1.0245 -21.45 0.33217 8.2894e+05 2024-05-19 02:38:10,508 INFO [main.py:798]
{rank 0/64} MD step = 474400 step time: 00:00:00.374126 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:38:15,388 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474400 94880 59.936 -31800 6569.1 -38369 -38369 -1.0228 -21.45 0.33057 8.2913e+05 2024-05-19 02:38:52,571 INFO [main.py:798]
{rank 0/64} MD step = 474500 step time: 00:00:00.346268 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:39:01,946 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474500 94900 59.847 -31783 6559.3 -38343 -38343 -1.0211 -21.449 0.33187 8.2931e+05 2024-05-19 02:39:36,273 INFO [main.py:798]
{rank 0/64} MD step = 474600 step time: 00:00:00.327843 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:39:46,377 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 60.253 -31906 6603.8 -38509 -38509 -1.0183 -21.45 0.3323 8.2946e+05 2024-05-19 02:40:21,144 INFO [main.py:798]
{rank 0/64} MD step = 474700 step time: 00:00:00.340657 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:40:27,548 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 60.138 -31789 6591.2 -38380 -38380 -1.015 -21.449 0.33151 8.2968e+05 2024-05-19 02:41:02,176 INFO [main.py:798]
{rank 0/64} MD step = 474800 step time: 00:00:00.346776 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:41:09,054 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474800 94960 60.502 -31778 6631.1 -38409 -38409 -1.011 -21.449 0.33127 8.2984e+05 2024-05-19 02:41:43,778 INFO [main.py:798]
{rank 0/64} MD step = 474900 step time: 00:00:00.373386 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:41:49,783 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 59.627 -31818 6535.2 -38353 -38353 -1.0085 -21.449 0.33053 8.3001e+05 2024-05-19 02:42:25,027 INFO [main.py:798]
{rank 0/64} MD step = 475000 step time: 00:00:00.345161 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:42:31,118 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 59.53 -31878 6524.6 -38402 -38402 -1.0052 -21.447 0.32996 8.3018e+05 2024-05-19 02:43:06,964 INFO [main.py:798]
{rank 0/64} MD step = 475100 step time: 00:00:00.341554 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:43:13,254 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 475100 95020 60.698 -31701 6652.6 -38353 -38353 -1.0024 -21.448 0.33011 8.3036e+05 2024-05-19 02:43:48,206 INFO [main.py:798]
{rank 0/64} MD step = 475200 step time: 00:00:00.357619 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:44:01,335 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 59.638 -31788 6536.4 -38324 -38324 -0.99937 -21.449 0.3303 8.3056e+05 2024-05-19 02:44:36,094 INFO [main.py:798]
{rank 0/64} MD step = 475300 step time: 00:00:00.332030 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:44:43,161 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 60.461 -31727 6626.6 -38353 -38353 -0.99587 -21.451 0.33234 8.3076e+05 2024-05-19 02:45:18,518 INFO [main.py:798]
{rank 0/64} MD step = 475400 step time: 00:00:00.330055 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:45:25,558 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 59.667 -32033 6539.6 -38572 -38572 -0.99291 -21.451 0.33375 8.3089e+05 2024-05-19 02:46:00,273 INFO [main.py:798]
{rank 0/64} MD step = 475500 step time: 00:00:00.334093 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:46:06,057 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 475500 95100 60.911 -31549 6675.9 -38225 -38225 -0.98813 -21.452 0.33392 8.3109e+05 2024-05-19 02:46:41,835 INFO [main.py:798]
{rank 0/64} MD step = 475600 step time: 00:00:00.328398 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:46:47,229 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 475600 95120 59.59 -31739 6531.2 -38270 -38270 -0.98438 -21.451 0.33394 8.3124e+05 2024-05-19 02:47:21,973 INFO [main.py:798]
{rank 0/64} MD step = 475700 step time: 00:00:00.332480 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:47:28,188 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 475700 95140 59.623 -31818 6534.7 -38353 -38353 -0.97948 -21.451 0.33262 8.3141e+05 2024-05-19 02:48:03,347 INFO [main.py:798]
{rank 0/64} MD step = 475800 step time: 00:00:00.337652 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:48:09,680 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 475800 95160 59.613 -31785 6533.6 -38318 -38318 -0.9758 -21.452 0.33183 8.3157e+05 2024-05-19 02:48:44,828 INFO [main.py:798]
{rank 0/64} MD step = 475900 step time: 00:00:00.328877 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:48:51,978 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 59.632 -31947 6535.7 -38482 -38482 -0.97247 -21.451 0.33278 8.3172e+05 2024-05-19 02:49:26,379 INFO [main.py:798]
{rank 0/64} MD step = 476000 step time: 00:00:00.330599 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:49:35,748 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476000 95200 60.192 -31709 6597.1 -38307 -38307 -0.97011 -21.45 0.33211 8.3193e+05 2024-05-19 02:50:10,165 INFO [main.py:798]
{rank 0/64} MD step = 476100 step time: 00:00:00.338584 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:50:15,822 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476100 95220 59.981 -31829 6574 -38403 -38403 -0.96744 -21.451 0.33194 8.3208e+05 2024-05-19 02:50:50,625 INFO [main.py:798]
{rank 0/64} MD step = 476200 step time: 00:00:00.332391 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:50:55,919 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476200 95240 60.049 -31867 6581.4 -38448 -38448 -0.96706 -21.452 0.33053 8.3225e+05 2024-05-19 02:51:32,266 INFO [main.py:798]
{rank 0/64} MD step = 476300 step time: 00:00:00.331966 Performance: 40.897 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:51:36,992 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476300 95260 60.328 -31745 6612 -38357 -38357 -0.96344 -21.452 0.32916 8.3243e+05 2024-05-19 02:52:12,915 INFO [main.py:798]
{rank 0/64} MD step = 476400 step time: 00:00:00.329898 Performance: 40.897 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:52:25,688 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476400 95280 60.707 -31635 6653.5 -38288 -38288 -0.95979 -21.452 0.32916 8.3262e+05 2024-05-19 02:53:00,392 INFO [main.py:798]
{rank 0/64} MD step = 476500 step time: 00:00:00.339175 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:53:05,879 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 60.508 -31779 6631.8 -38410 -38410 -0.95709 -21.453 0.32895 8.3276e+05 2024-05-19 02:53:41,785 INFO [main.py:798]
{rank 0/64} MD step = 476600 step time: 00:00:00.332415 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:53:52,420 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476600 95320 60.05 -31875 6581.6 -38457 -38457 -0.95297 -21.454 0.32858 8.3295e+05 2024-05-19 02:54:26,719 INFO [main.py:798]
{rank 0/64} MD step = 476700 step time: 00:00:00.341968 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:54:37,311 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476700 95340 60.064 -31789 6583.1 -38372 -38372 -0.94981 -21.455 0.32899 8.3312e+05 2024-05-19 02:55:14,068 INFO [main.py:798]
{rank 0/64} MD step = 476800 step time: 00:00:00.335107 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:55:22,645 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 60.392 -31799 6619 -38418 -38418 -0.94773 -21.455 0.3291 8.3329e+05 2024-05-19 02:55:57,522 INFO [main.py:798]
{rank 0/64} MD step = 476900 step time: 00:00:00.356227 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:56:05,446 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476900 95380 60.303 -31668 6609.3 -38277 -38277 -0.94457 -21.453 0.32978 8.3346e+05 2024-05-19 02:56:40,701 INFO [main.py:798]
{rank 0/64} MD step = 477000 step time: 00:00:00.332064 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:56:48,102 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 477000 95400 59.133 -31935 6481.1 -38416 -38416 -0.94318 -21.453 0.32844 8.336e+05 2024-05-19 02:57:22,735 INFO [main.py:798]
{rank 0/64} MD step = 477100 step time: 00:00:00.338326 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:57:30,266 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 477100 95420 60.284 -31844 6607.2 -38452 -38452 -0.94028 -21.455 0.32886 8.3375e+05 2024-05-19 02:58:04,521 INFO [main.py:798]
{rank 0/64} MD step = 477200 step time: 00:00:00.362547 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:58:09,831 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 477200 95440 60.853 -31719 6669.5 -38388 -38388 -0.93651 -21.456 0.32857 8.3395e+05 2024-05-19 02:58:44,343 INFO [main.py:798]
{rank 0/64} MD step = 477300 step time: 00:00:00.337977 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:58:53,013 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 60.059 -31873 6582.6 -38456 -38456 -0.93181 -21.456 0.32865 8.3414e+05 2024-05-19 02:59:28,051 INFO [main.py:798]
{rank 0/64} MD step = 477400 step time: 00:00:00.375177 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 02:59:35,158 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 477400 95480 59.868 -31921 6561.6 -38482 -38482 -0.92998 -21.457 0.32954 8.3429e+05 2024-05-19 03:00:09,940 INFO [main.py:798]
{rank 0/64} MD step = 477500 step time: 00:00:00.348469 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 03:00:16,270 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 477500 95500 60.063 -31968 6583 -38551 -38551 -0.92589 -21.456 0.33019 8.3451e+05 2024-05-19 03:00:50,840 INFO [main.py:798]
{rank 0/64} MD step = 477600 step time: 00:00:00.350833 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 03:00:54,502 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 61.013 -31920 6687.1 -38607 -38607 -0.92203 -21.457 0.32826 8.3467e+05 2024-05-19 03:01:31,572 INFO [main.py:798]
{rank 0/64} MD step = 477700 step time: 00:00:00.378353 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 03:01:37,754 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 60.126 -32005 6589.9 -38594 -38594 -0.91937 -21.456 0.3288 8.3484e+05 2024-05-19 03:02:12,310 INFO [main.py:798]
{rank 0/64} MD step = 477800 step time: 00:00:00.349394 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 03:02:18,303 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 60.537 -31791 6634.9 -38426 -38426 -0.91613 -21.457 0.3283 8.3506e+05 2024-05-19 03:02:52,603 INFO [main.py:798]
{rank 0/64} MD step = 477900 step time: 00:00:00.339525 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 03:03:00,111 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 477900 95580 60.02 -31911 6578.3 -38490 -38490 -0.91338 -21.457 0.32681 8.3523e+05 2024-05-19 03:03:35,077 INFO [main.py:798]
{rank 0/64} MD step = 478000 step time: 00:00:00.355022 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 03:03:42,219 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478000 95600 59.393 -31892 6509.6 -38401 -38401 -0.90986 -21.457 0.32714 8.354e+05 2024-05-19 03:04:17,180 INFO [main.py:798]
{rank 0/64} MD step = 478100 step time: 00:00:00.350303 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 03:04:22,841 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 59.61 -31914 6533.4 -38448 -38448 -0.90692 -21.457 0.32487 8.3559e+05 2024-05-19 03:04:57,715 INFO [main.py:798]
{rank 0/64} MD step = 478200 step time: 00:00:00.374109 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 03:05:04,511 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478200 95640 60.116 -31855 6588.8 -38443 -38443 -0.90399 -21.456 0.32408 8.3579e+05 2024-05-19 03:05:39,077 INFO [main.py:798]
{rank 0/64} MD step = 478300 step time: 00:00:00.349649 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 03:05:45,065 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478300 95660 59.864 -31915 6561.1 -38476 -38476 -0.90274 -21.457 0.32276 8.3597e+05 2024-05-19 03:06:19,399 INFO [main.py:798]
{rank 0/64} MD step = 478400 step time: 00:00:00.352065 Performance: 40.897 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 03:06:33,686 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478400 95680 60.559 -31855 6637.4 -38492 -38492 -0.89993 -21.457 0.32297 8.3616e+05 2024-05-19 03:07:08,356 INFO [main.py:798]
{rank 0/64} MD step = 478500 step time: 00:00:00.345970 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 03:07:14,243 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 60.399 -31681 6619.8 -38301 -38301 -0.89713 -21.456 0.3224 8.3635e+05 2024-05-19 03:07:48,499 INFO [main.py:798]
{rank 0/64} MD step = 478600 step time: 00:00:00.365008 Performance: 40.896 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 03:07:57,558 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 59.674 -31886 6540.3 -38427 -38427 -0.89403 -21.455 0.32251 8.3654e+05 2024-05-19 03:08:31,962 INFO [main.py:798]
{rank 0/64} MD step = 478700 step time: 00:00:00.356127 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 03:08:40,211 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478700 95740 59.583 -31926 6530.4 -38456 -38456 -0.89207 -21.457 0.3215 8.3672e+05 2024-05-19 03:09:15,935 INFO [main.py:798]
{rank 0/64} MD step = 478800 step time: 00:00:00.344182 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 03:09:24,256 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478800 95760 60.673 -31700 6649.8 -38350 -38350 -0.89015 -21.458 0.32078 8.3692e+05 2024-05-19 03:09:58,566 INFO [main.py:798]
{rank 0/64} MD step = 478900 step time: 00:00:00.344595 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 03:10:05,839 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478900 95780 60.972 -31929 6682.6 -38611 -38611 -0.8866 -21.458 0.31991 8.3704e+05 2024-05-19 03:10:40,571 INFO [main.py:798]
{rank 0/64} MD step = 479000 step time: 00:00:00.373226 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 03:10:48,469 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479000 95800 60.239 -31935 6602.3 -38538 -38538 -0.88435 -21.458 0.31998 8.3722e+05 2024-05-19 03:11:22,760 INFO [main.py:798]
{rank 0/64} MD step = 479100 step time: 00:00:00.349634 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 03:11:26,884 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 61.371 -31772 6726.4 -38499 -38499 -0.88216 -21.458 0.31882 8.3745e+05 2024-05-19 03:12:02,914 INFO [main.py:798]
{rank 0/64} MD step = 479200 step time: 00:00:00.332201 Performance: 40.895 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 03:12:27,061 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479200 95840 60 -31859 6576.1 -38435 -38435 -0.88118 -21.458 0.31948 8.3761e+05 2024-05-19 03:13:00,054 INFO [main.py:798]
{rank 0/64} MD step = 479300 step time: 00:00:00.336610 Performance: 40.892 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:13:08,602 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479300 95860 60.541 -31846 6635.4 -38482 -38482 -0.87784 -21.459 0.31947 8.3779e+05 2024-05-19 03:13:43,686 INFO [main.py:798]
{rank 0/64} MD step = 479400 step time: 00:00:00.331086 Performance: 40.892 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:13:51,418 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 60.351 -31821 6614.6 -38436 -38436 -0.87518 -21.459 0.32082 8.3794e+05 2024-05-19 03:14:27,289 INFO [main.py:798]
{rank 0/64} MD step = 479500 step time: 00:00:00.338963 Performance: 40.892 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:14:33,036 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479500 95900 58.612 -32093 6423.9 -38517 -38517 -0.87382 -21.46 0.32011 8.3814e+05 2024-05-19 03:15:10,178 INFO [main.py:798]
{rank 0/64} MD step = 479600 step time: 00:00:00.328553 Performance: 40.892 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:15:16,130 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479600 95920 60.332 -31796 6612.4 -38409 -38409 -0.87243 -21.458 0.32049 8.3831e+05 2024-05-19 03:15:50,832 INFO [main.py:798]
{rank 0/64} MD step = 479700 step time: 00:00:00.331958 Performance: 40.892 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:15:57,866 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479700 95940 60.201 -31701 6598.1 -38299 -38299 -0.871 -21.459 0.32196 8.3852e+05 2024-05-19 03:16:32,690 INFO [main.py:798]
{rank 0/64} MD step = 479800 step time: 00:00:00.328942 Performance: 40.892 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:16:42,839 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479800 95960 60.027 -31900 6579 -38479 -38479 -0.8683 -21.46 0.32184 8.3866e+05 2024-05-19 03:17:18,388 INFO [main.py:798]
{rank 0/64} MD step = 479900 step time: 00:00:00.344850 Performance: 40.892 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:17:23,669 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 60.133 -31844 6590.7 -38434 -38434 -0.86568 -21.461 0.32108 8.3885e+05 2024-05-19 03:17:58,043 INFO [main.py:798]
{rank 0/64} MD step = 480000 step time: 00:00:00.332975 Performance: 40.892 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:18:04,077 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480000 96000 60.635 -31792 6645.7 -38438 -38438 -0.86243 -21.46 0.32112 8.3901e+05 2024-05-19 03:18:39,534 INFO [main.py:798]
{rank 0/64} MD step = 480100 step time: 00:00:00.337144 Performance: 40.892 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:18:45,680 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 60.299 -31716 6608.9 -38325 -38325 -0.85982 -21.46 0.32028 8.3925e+05 2024-05-19 03:19:20,050 INFO [main.py:798]
{rank 0/64} MD step = 480200 step time: 00:00:00.336348 Performance: 40.893 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:19:25,661 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 60.405 -31762 6620.5 -38382 -38382 -0.8571 -21.46 0.32086 8.3941e+05 2024-05-19 03:20:00,122 INFO [main.py:798]
{rank 0/64} MD step = 480300 step time: 00:00:00.329694 Performance: 40.893 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:20:06,721 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 60.225 -31918 6600.7 -38519 -38519 -0.85233 -21.459 0.3204 8.3957e+05 2024-05-19 03:20:42,453 INFO [main.py:798]
{rank 0/64} MD step = 480400 step time: 00:00:00.334465 Performance: 40.893 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:20:51,651 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 60.225 -31790 6600.7 -38391 -38391 -0.85113 -21.46 0.31762 8.3976e+05 2024-05-19 03:21:25,753 INFO [main.py:798]
{rank 0/64} MD step = 480500 step time: 00:00:00.329453 Performance: 40.893 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:21:36,192 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480500 96100 59.783 -31808 6552.3 -38360 -38360 -0.84842 -21.46 0.31697 8.3996e+05 2024-05-19 03:22:10,944 INFO [main.py:798]
{rank 0/64} MD step = 480600 step time: 00:00:00.336182 Performance: 40.892 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:22:19,200 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480600 96120 59.54 -31965 6525.6 -38491 -38491 -0.84584 -21.462 0.31715 8.4011e+05 2024-05-19 03:22:53,897 INFO [main.py:798]
{rank 0/64} MD step = 480700 step time: 00:00:00.339305 Performance: 40.892 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:22:59,672 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480700 96140 59.857 -31940 6560.4 -38501 -38501 -0.84148 -21.462 0.31489 8.4028e+05 2024-05-19 03:23:34,454 INFO [main.py:798]
{rank 0/64} MD step = 480800 step time: 00:00:00.332246 Performance: 40.892 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:23:40,562 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 59.969 -31801 6572.6 -38374 -38374 -0.83705 -21.463 0.31486 8.405e+05 2024-05-19 03:24:15,409 INFO [main.py:798]
{rank 0/64} MD step = 480900 step time: 00:00:00.333397 Performance: 40.893 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:24:21,460 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480900 96180 59.992 -31811 6575.2 -38386 -38386 -0.83319 -21.464 0.31343 8.4067e+05 2024-05-19 03:24:55,939 INFO [main.py:798]
{rank 0/64} MD step = 481000 step time: 00:00:00.350396 Performance: 40.893 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:25:06,344 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 481000 96200 60.206 -31829 6598.6 -38428 -38428 -0.83114 -21.465 0.31308 8.4085e+05 2024-05-19 03:25:42,579 INFO [main.py:798]
{rank 0/64} MD step = 481100 step time: 00:00:00.330817 Performance: 40.892 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:25:48,930 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 481100 96220 59.391 -31870 6509.4 -38380 -38380 -0.82949 -21.466 0.3139 8.4103e+05 2024-05-19 03:26:23,406 INFO [main.py:798]
{rank 0/64} MD step = 481200 step time: 00:00:00.344050 Performance: 40.892 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:26:30,598 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 481200 96240 60.262 -31968 6604.8 -38573 -38573 -0.8281 -21.467 0.31185 8.4117e+05 2024-05-19 03:27:05,399 INFO [main.py:798]
{rank 0/64} MD step = 481300 step time: 00:00:00.349328 Performance: 40.892 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:27:11,888 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 60.164 -31829 6594.1 -38424 -38424 -0.82492 -21.467 0.30966 8.4139e+05 2024-05-19 03:27:46,497 INFO [main.py:798]
{rank 0/64} MD step = 481400 step time: 00:00:00.351655 Performance: 40.893 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:27:53,168 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 481400 96280 59.488 -31903 6519.9 -38423 -38423 -0.82016 -21.467 0.30846 8.4156e+05 2024-05-19 03:28:27,574 INFO [main.py:798]
{rank 0/64} MD step = 481500 step time: 00:00:00.354491 Performance: 40.893 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:28:33,620 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 60.221 -31897 6600.3 -38497 -38497 -0.81683 -21.468 0.30884 8.4173e+05 2024-05-19 03:29:08,429 INFO [main.py:798]
{rank 0/64} MD step = 481600 step time: 00:00:00.356263 Performance: 40.893 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 03:29:15,592 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 59.977 -31862 6573.5 -38436 -38436 -0.81394 -21.466 0.30893 8.419e+05 2024-05-19 03:29:52,253 INFO [main.py:798]
{rank 0/64} MD step = 481700 step time: 00:00:00.379890 Performance: 40.893 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:30:04,011 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 481700 96340 59.426 -32051 6513.1 -38564 -38564 -0.80953 -21.467 0.30958 8.4204e+05 2024-05-19 03:30:39,646 INFO [main.py:798]
{rank 0/64} MD step = 481800 step time: 00:00:00.363948 Performance: 40.892 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:30:51,018 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 60.55 -31886 6636.3 -38522 -38522 -0.80845 -21.467 0.30918 8.4223e+05 2024-05-19 03:31:24,577 INFO [main.py:798]
{rank 0/64} MD step = 481900 step time: 00:00:00.353172 Performance: 40.891 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:31:31,540 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 481900 96380 59.156 -32002 6483.5 -38486 -38486 -0.8066 -21.467 0.30973 8.4241e+05 2024-05-19 03:32:06,552 INFO [main.py:798]
{rank 0/64} MD step = 482000 step time: 00:00:00.389082 Performance: 40.891 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:32:14,675 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482000 96400 60.284 -31847 6607.2 -38454 -38454 -0.80212 -21.466 0.30937 8.4261e+05 2024-05-19 03:32:49,436 INFO [main.py:798]
{rank 0/64} MD step = 482100 step time: 00:00:00.351182 Performance: 40.891 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:32:55,831 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482100 96420 60.424 -31838 6622.5 -38461 -38461 -0.79966 -21.467 0.30926 8.4279e+05 2024-05-19 03:33:31,917 INFO [main.py:798]
{rank 0/64} MD step = 482200 step time: 00:00:00.384647 Performance: 40.891 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:33:38,783 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482200 96440 59.877 -31927 6562.6 -38490 -38490 -0.79505 -21.466 0.30754 8.4294e+05 2024-05-19 03:34:13,224 INFO [main.py:798]
{rank 0/64} MD step = 482300 step time: 00:00:00.346397 Performance: 40.891 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:34:20,133 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482300 96460 61.558 -31863 6746.8 -38610 -38610 -0.79258 -21.467 0.30786 8.4309e+05 2024-05-19 03:34:54,191 INFO [main.py:798]
{rank 0/64} MD step = 482400 step time: 00:00:00.347308 Performance: 40.892 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:35:01,161 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482400 96480 60.256 -32001 6604.2 -38606 -38606 -0.78912 -21.467 0.30773 8.4327e+05 2024-05-19 03:35:36,992 INFO [main.py:798]
{rank 0/64} MD step = 482500 step time: 00:00:00.341212 Performance: 40.892 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:35:45,119 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482500 96500 60.575 -31728 6639.1 -38367 -38367 -0.78542 -21.466 0.30832 8.4343e+05 2024-05-19 03:36:20,179 INFO [main.py:798]
{rank 0/64} MD step = 482600 step time: 00:00:00.353920 Performance: 40.891 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:36:28,267 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 59.072 -32079 6474.3 -38554 -38554 -0.78475 -21.465 0.30784 8.4359e+05 2024-05-19 03:37:03,304 INFO [main.py:798]
{rank 0/64} MD step = 482700 step time: 00:00:00.362825 Performance: 40.891 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:37:11,192 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482700 96540 60.35 -31962 6614.4 -38577 -38577 -0.78334 -21.464 0.30685 8.4374e+05 2024-05-19 03:37:45,050 INFO [main.py:798]
{rank 0/64} MD step = 482800 step time: 00:00:00.326787 Performance: 40.891 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:37:53,063 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482800 96560 59.953 -31998 6570.9 -38569 -38569 -0.78107 -21.465 0.30656 8.4393e+05 2024-05-19 03:38:27,808 INFO [main.py:798]
{rank 0/64} MD step = 482900 step time: 00:00:00.336377 Performance: 40.891 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:38:33,598 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 59.63 -32075 6535.5 -38610 -38610 -0.77822 -21.466 0.3068 8.4411e+05 2024-05-19 03:39:07,963 INFO [main.py:798]
{rank 0/64} MD step = 483000 step time: 00:00:00.332303 Performance: 40.892 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:39:14,741 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483000 96600 60.703 -31805 6653.1 -38458 -38458 -0.77623 -21.466 0.30545 8.4428e+05 2024-05-19 03:39:49,314 INFO [main.py:798]
{rank 0/64} MD step = 483100 step time: 00:00:00.329298 Performance: 40.892 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:39:56,080 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483100 96620 59.03 -32134 6469.7 -38604 -38604 -0.77296 -21.465 0.30501 8.4447e+05 2024-05-19 03:40:31,291 INFO [main.py:798]
{rank 0/64} MD step = 483200 step time: 00:00:00.329016 Performance: 40.892 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:40:38,909 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483200 96640 60.143 -31865 6591.7 -38457 -38457 -0.7694 -21.467 0.30533 8.4467e+05 2024-05-19 03:41:13,891 INFO [main.py:798]
{rank 0/64} MD step = 483300 step time: 00:00:00.331562 Performance: 40.892 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:41:19,428 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 59.732 -32055 6546.7 -38601 -38601 -0.7653 -21.467 0.30434 8.4482e+05 2024-05-19 03:41:54,331 INFO [main.py:798]
{rank 0/64} MD step = 483400 step time: 00:00:00.326208 Performance: 40.892 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:42:00,424 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483400 96680 60.731 -31876 6656.1 -38532 -38532 -0.76367 -21.468 0.3049 8.4505e+05 2024-05-19 03:42:36,824 INFO [main.py:798]
{rank 0/64} MD step = 483500 step time: 00:00:00.378266 Performance: 40.892 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:42:43,511 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 60.035 -31885 6579.9 -38465 -38465 -0.76178 -21.468 0.304 8.4523e+05 2024-05-19 03:43:17,864 INFO [main.py:798]
{rank 0/64} MD step = 483600 step time: 00:00:00.351983 Performance: 40.892 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:43:24,625 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483600 96720 59.781 -31876 6552.1 -38428 -38428 -0.75884 -21.47 0.30272 8.4542e+05 2024-05-19 03:44:00,767 INFO [main.py:798]
{rank 0/64} MD step = 483700 step time: 00:00:00.387675 Performance: 40.892 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:44:09,531 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 60.135 -31898 6590.9 -38489 -38489 -0.75657 -21.469 0.3038 8.4558e+05 2024-05-19 03:44:44,451 INFO [main.py:798]
{rank 0/64} MD step = 483800 step time: 00:00:00.358196 Performance: 40.892 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:44:54,148 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483800 96760 59.526 -31970 6524.2 -38494 -38494 -0.75245 -21.469 0.3037 8.4576e+05 2024-05-19 03:45:28,391 INFO [main.py:798]
{rank 0/64} MD step = 483900 step time: 00:00:00.343616 Performance: 40.892 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:45:35,084 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483900 96780 60.343 -31853 6613.7 -38466 -38466 -0.74784 -21.468 0.30261 8.4593e+05 2024-05-19 03:46:09,181 INFO [main.py:798]
{rank 0/64} MD step = 484000 step time: 00:00:00.342037 Performance: 40.892 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:46:14,916 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484000 96800 60.59 -31802 6640.8 -38442 -38442 -0.74439 -21.469 0.3009 8.4611e+05 2024-05-19 03:46:49,870 INFO [main.py:798]
{rank 0/64} MD step = 484100 step time: 00:00:00.336972 Performance: 40.892 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:46:55,366 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 59.781 -32033 6552.1 -38585 -38585 -0.74057 -21.47 0.29933 8.4631e+05 2024-05-19 03:47:30,153 INFO [main.py:798]
{rank 0/64} MD step = 484200 step time: 00:00:00.353607 Performance: 40.893 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:47:35,423 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 60.454 -31804 6625.8 -38430 -38430 -0.73779 -21.471 0.298 8.4652e+05 2024-05-19 03:48:10,885 INFO [main.py:798]
{rank 0/64} MD step = 484300 step time: 00:00:00.334243 Performance: 40.893 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:48:18,076 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484300 96860 60.172 -31851 6595 -38446 -38446 -0.73531 -21.472 0.29695 8.4668e+05 2024-05-19 03:48:53,825 INFO [main.py:798]
{rank 0/64} MD step = 484400 step time: 00:00:00.372578 Performance: 40.893 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:49:00,193 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484400 96880 60.064 -31829 6583.1 -38412 -38412 -0.73207 -21.47 0.2975 8.4684e+05 2024-05-19 03:49:36,131 INFO [main.py:798]
{rank 0/64} MD step = 484500 step time: 00:00:00.352572 Performance: 40.893 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:49:41,473 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484500 96900 59.604 -31860 6532.7 -38393 -38393 -0.73048 -21.472 0.29686 8.47e+05 2024-05-19 03:50:18,124 INFO [main.py:798]
{rank 0/64} MD step = 484600 step time: 00:00:00.360367 Performance: 40.893 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:50:23,269 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 58.994 -31973 6465.8 -38439 -38439 -0.72694 -21.472 0.29584 8.4716e+05 2024-05-19 03:50:58,563 INFO [main.py:798]
{rank 0/64} MD step = 484700 step time: 00:00:00.351266 Performance: 40.893 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 03:51:05,089 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484700 96940 59.115 -32008 6479.1 -38487 -38487 -0.72318 -21.473 0.29611 8.4734e+05 2024-05-19 03:51:39,848 INFO [main.py:798]
{rank 0/64} MD step = 484800 step time: 00:00:00.357614 Performance: 40.893 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 03:51:46,264 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484800 96960 59.391 -31868 6509.3 -38377 -38377 -0.7183 -21.472 0.29489 8.4751e+05 2024-05-19 03:52:21,394 INFO [main.py:798]
{rank 0/64} MD step = 484900 step time: 00:00:00.372424 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 03:52:29,915 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484900 96980 60.699 -31613 6652.7 -38266 -38266 -0.71505 -21.474 0.29432 8.477e+05 2024-05-19 03:53:04,756 INFO [main.py:798]
{rank 0/64} MD step = 485000 step time: 00:00:00.348153 Performance: 40.893 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 03:53:14,397 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485000 97000 59.895 -31885 6564.5 -38449 -38449 -0.71189 -21.475 0.29255 8.4787e+05 2024-05-19 03:53:48,474 INFO [main.py:798]
{rank 0/64} MD step = 485100 step time: 00:00:00.354921 Performance: 40.893 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 03:53:54,050 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485100 97020 60.343 -31788 6613.6 -38401 -38401 -0.70848 -21.476 0.2928 8.4803e+05 2024-05-19 03:54:28,804 INFO [main.py:798]
{rank 0/64} MD step = 485200 step time: 00:00:00.356087 Performance: 40.893 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 03:54:35,059 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485200 97040 59.831 -31913 6557.5 -38470 -38470 -0.70599 -21.477 0.29179 8.482e+05 2024-05-19 03:55:09,708 INFO [main.py:798]
{rank 0/64} MD step = 485300 step time: 00:00:00.338416 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 03:55:17,353 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 59.858 -31924 6560.5 -38484 -38484 -0.70197 -21.476 0.29146 8.4837e+05 2024-05-19 03:55:52,101 INFO [main.py:798]
{rank 0/64} MD step = 485400 step time: 00:00:00.345818 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 03:55:58,878 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485400 97080 59.253 -31932 6494.2 -38426 -38426 -0.69813 -21.477 0.29134 8.4858e+05 2024-05-19 03:56:33,087 INFO [main.py:798]
{rank 0/64} MD step = 485500 step time: 00:00:00.327081 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 03:56:42,175 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 60.494 -31788 6630.3 -38418 -38418 -0.69541 -21.478 0.29171 8.4875e+05 2024-05-19 03:57:16,996 INFO [main.py:798]
{rank 0/64} MD step = 485600 step time: 00:00:00.346198 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 03:57:25,137 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485600 97120 60.221 -31811 6600.3 -38411 -38411 -0.69143 -21.479 0.2913 8.4895e+05 2024-05-19 03:57:59,871 INFO [main.py:798]
{rank 0/64} MD step = 485700 step time: 00:00:00.346978 Performance: 40.893 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 03:58:07,192 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485700 97140 60.35 -31912 6614.4 -38526 -38526 -0.68669 -21.48 0.29059 8.4911e+05 2024-05-19 03:58:41,608 INFO [main.py:798]
{rank 0/64} MD step = 485800 step time: 00:00:00.346411 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 03:58:47,955 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485800 97160 59.533 -31962 6524.8 -38487 -38487 -0.68316 -21.481 0.29026 8.4927e+05 2024-05-19 03:59:22,459 INFO [main.py:798]
{rank 0/64} MD step = 485900 step time: 00:00:00.343545 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 03:59:29,407 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485900 97180 60.496 -31812 6630.4 -38443 -38443 -0.67984 -21.481 0.28903 8.4947e+05 2024-05-19 04:00:04,343 INFO [main.py:798]
{rank 0/64} MD step = 486000 step time: 00:00:00.344196 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 04:00:10,736 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 59.977 -31940 6573.6 -38513 -38513 -0.67543 -21.481 0.28851 8.4965e+05 2024-05-19 04:00:46,179 INFO [main.py:798]
{rank 0/64} MD step = 486100 step time: 00:00:00.332176 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 04:00:54,375 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 60.319 -31943 6611 -38554 -38554 -0.67209 -21.481 0.28764 8.4981e+05 2024-05-19 04:01:29,407 INFO [main.py:798]
{rank 0/64} MD step = 486200 step time: 00:00:00.377677 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 04:01:36,323 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 486200 97240 60.236 -31695 6601.9 -38297 -38297 -0.66709 -21.48 0.28684 8.5001e+05 2024-05-19 04:02:10,932 INFO [main.py:798]
{rank 0/64} MD step = 486300 step time: 00:00:00.361039 Performance: 40.894 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 04:02:20,027 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 486300 97260 59.566 -31881 6528.5 -38409 -38409 -0.66449 -21.48 0.28463 8.5014e+05 2024-05-19 04:02:55,613 INFO [main.py:798]
{rank 0/64} MD step = 486400 step time: 00:00:00.335577 Performance: 40.893 ns/day 0.587 hours/ns 2.367 steps/s 2024-05-19 04:03:08,115 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 486400 97280 60.421 -31833 6622.2 -38456 -38456 -0.66223 -21.481 0.28499 8.5033e+05 2024-05-19 04:03:43,308 INFO [main.py:798]
{rank 0/64} MD step = 486500 step time: 00:00:00.330609 Performance: 40.892 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:03:51,764 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 59.325 -31842 6502.1 -38344 -38344 -0.65996 -21.482 0.28447 8.505e+05 2024-05-19 04:04:25,612 INFO [main.py:798]
{rank 0/64} MD step = 486600 step time: 00:00:00.340293 Performance: 40.892 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:04:34,305 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 486600 97320 59.884 -31822 6563.3 -38385 -38385 -0.65588 -21.481 0.28329 8.5068e+05 2024-05-19 04:05:08,512 INFO [main.py:798]
{rank 0/64} MD step = 486700 step time: 00:00:00.343640 Performance: 40.892 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:05:21,890 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 61.152 -31692 6702.3 -38395 -38395 -0.65339 -21.482 0.28253 8.5084e+05 2024-05-19 04:05:56,217 INFO [main.py:798]
{rank 0/64} MD step = 486800 step time: 00:00:00.344391 Performance: 40.891 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:06:02,740 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 60.193 -31896 6597.3 -38493 -38493 -0.64919 -21.482 0.28166 8.5099e+05 2024-05-19 04:06:37,157 INFO [main.py:798]
{rank 0/64} MD step = 486900 step time: 00:00:00.353606 Performance: 40.891 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:06:42,000 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 486900 97380 59.002 -31883 6466.7 -38350 -38350 -0.64512 -21.483 0.28123 8.5119e+05 2024-05-19 04:07:18,178 INFO [main.py:798]
{rank 0/64} MD step = 487000 step time: 00:00:00.362424 Performance: 40.892 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:07:25,710 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 60.238 -31798 6602.2 -38400 -38400 -0.64241 -21.485 0.28051 8.5133e+05 2024-05-19 04:08:00,219 INFO [main.py:798]
{rank 0/64} MD step = 487100 step time: 00:00:00.351528 Performance: 40.892 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:08:06,319 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 59.971 -31832 6572.8 -38405 -38405 -0.63983 -21.486 0.28243 8.5154e+05 2024-05-19 04:08:41,391 INFO [main.py:798]
{rank 0/64} MD step = 487200 step time: 00:00:00.382448 Performance: 40.892 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:08:52,467 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 59.109 -31845 6478.4 -38323 -38323 -0.63695 -21.487 0.28169 8.5175e+05 2024-05-19 04:09:26,722 INFO [main.py:798]
{rank 0/64} MD step = 487300 step time: 00:00:00.368107 Performance: 40.891 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:09:33,356 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 487300 97460 59.886 -31958 6563.6 -38521 -38521 -0.63432 -21.488 0.27931 8.5188e+05 2024-05-19 04:10:07,860 INFO [main.py:798]
{rank 0/64} MD step = 487400 step time: 00:00:00.362740 Performance: 40.892 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:10:14,270 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 60.328 -31905 6612.1 -38517 -38517 -0.63211 -21.488 0.27849 8.5207e+05 2024-05-19 04:10:49,523 INFO [main.py:798]
{rank 0/64} MD step = 487500 step time: 00:00:00.370433 Performance: 40.892 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:11:01,832 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 59.836 -31929 6558.1 -38487 -38487 -0.62859 -21.49 0.27961 8.5225e+05 2024-05-19 04:11:38,451 INFO [main.py:798]
{rank 0/64} MD step = 487600 step time: 00:00:00.330975 Performance: 40.890 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:11:50,403 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 60.487 -31883 6629.4 -38512 -38512 -0.62651 -21.49 0.27839 8.5243e+05 2024-05-19 04:12:24,924 INFO [main.py:798]
{rank 0/64} MD step = 487700 step time: 00:00:00.347666 Performance: 40.889 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:12:31,989 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 487700 97540 60.195 -31756 6597.4 -38353 -38353 -0.62201 -21.492 0.27739 8.5261e+05 2024-05-19 04:13:07,103 INFO [main.py:798]
{rank 0/64} MD step = 487800 step time: 00:00:00.340258 Performance: 40.889 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:13:13,391 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 487800 97560 60.672 -31827 6649.7 -38476 -38476 -0.61863 -21.493 0.27695 8.5278e+05 2024-05-19 04:13:49,653 INFO [main.py:798]
{rank 0/64} MD step = 487900 step time: 00:00:00.366750 Performance: 40.889 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:13:56,742 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 487900 97580 59.847 -31899 6559.3 -38458 -38458 -0.61505 -21.494 0.27461 8.5295e+05 2024-05-19 04:14:31,746 INFO [main.py:798]
{rank 0/64} MD step = 488000 step time: 00:00:00.363365 Performance: 40.889 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:14:39,363 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488000 97600 60.677 -31875 6650.3 -38525 -38525 -0.60972 -21.493 0.27354 8.5311e+05 2024-05-19 04:15:13,641 INFO [main.py:798]
{rank 0/64} MD step = 488100 step time: 00:00:00.357756 Performance: 40.890 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:15:20,582 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 59.382 -32039 6508.3 -38547 -38547 -0.60674 -21.494 0.27217 8.5327e+05 2024-05-19 04:15:55,364 INFO [main.py:798]
{rank 0/64} MD step = 488200 step time: 00:00:00.354105 Performance: 40.890 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:16:01,517 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 59.718 -31891 6545.2 -38436 -38436 -0.60201 -21.494 0.27133 8.5343e+05 2024-05-19 04:16:36,337 INFO [main.py:798]
{rank 0/64} MD step = 488300 step time: 00:00:00.351263 Performance: 40.890 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:16:43,358 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488300 97660 60.794 -31955 6663.1 -38619 -38619 -0.59828 -21.494 0.27064 8.5357e+05 2024-05-19 04:17:18,512 INFO [main.py:798]
{rank 0/64} MD step = 488400 step time: 00:00:00.348419 Performance: 40.890 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:17:25,096 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488400 97680 60.223 -31933 6600.5 -38533 -38533 -0.59427 -21.495 0.27079 8.5378e+05 2024-05-19 04:17:59,537 INFO [main.py:798]
{rank 0/64} MD step = 488500 step time: 00:00:00.344955 Performance: 40.890 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:18:06,517 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488500 97700 59.697 -31971 6542.8 -38513 -38513 -0.59008 -21.496 0.26935 8.5397e+05 2024-05-19 04:18:40,965 INFO [main.py:798]
{rank 0/64} MD step = 488600 step time: 00:00:00.343355 Performance: 40.890 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:18:47,949 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488600 97720 59.732 -31946 6546.7 -38493 -38493 -0.5853 -21.497 0.26833 8.5414e+05 2024-05-19 04:19:22,490 INFO [main.py:798]
{rank 0/64} MD step = 488700 step time: 00:00:00.335951 Performance: 40.890 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:19:28,760 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 59.796 -32075 6553.7 -38629 -38629 -0.58196 -21.497 0.26931 8.5429e+05 2024-05-19 04:20:03,941 INFO [main.py:798]
{rank 0/64} MD step = 488800 step time: 00:00:00.351680 Performance: 40.891 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:20:09,881 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488800 97760 60.635 -31902 6645.7 -38548 -38548 -0.57845 -21.497 0.26851 8.5445e+05 2024-05-19 04:20:44,322 INFO [main.py:798]
{rank 0/64} MD step = 488900 step time: 00:00:00.367209 Performance: 40.891 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:20:51,508 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488900 97780 60.876 -31719 6672.1 -38392 -38392 -0.57601 -21.497 0.26777 8.5466e+05 2024-05-19 04:21:26,003 INFO [main.py:798]
{rank 0/64} MD step = 489000 step time: 00:00:00.350272 Performance: 40.891 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:21:34,861 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489000 97800 59.51 -31994 6522.4 -38517 -38517 -0.57302 -21.499 0.26676 8.548e+05 2024-05-19 04:22:09,983 INFO [main.py:798]
{rank 0/64} MD step = 489100 step time: 00:00:00.348920 Performance: 40.891 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:22:17,362 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489100 97820 60.668 -31733 6649.2 -38382 -38382 -0.57024 -21.498 0.26702 8.5499e+05 2024-05-19 04:22:52,111 INFO [main.py:798]
{rank 0/64} MD step = 489200 step time: 00:00:00.356139 Performance: 40.891 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:22:58,012 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489200 97840 59.913 -31843 6566.5 -38409 -38409 -0.56526 -21.498 0.26678 8.5518e+05 2024-05-19 04:23:32,533 INFO [main.py:798]
{rank 0/64} MD step = 489300 step time: 00:00:00.341467 Performance: 40.891 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:23:38,476 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 60.453 -31775 6625.7 -38401 -38401 -0.55992 -21.499 0.26641 8.5535e+05 2024-05-19 04:24:13,997 INFO [main.py:798]
{rank 0/64} MD step = 489400 step time: 00:00:00.371966 Performance: 40.891 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:24:24,470 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489400 97880 60.85 -31708 6669.2 -38377 -38377 -0.55759 -21.5 0.2651 8.5552e+05 2024-05-19 04:24:59,424 INFO [main.py:798]
{rank 0/64} MD step = 489500 step time: 00:00:00.376640 Performance: 40.891 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:25:06,653 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 59.692 -31984 6542.3 -38526 -38526 -0.55577 -21.501 0.26409 8.5562e+05 2024-05-19 04:25:41,525 INFO [main.py:798]
{rank 0/64} MD step = 489600 step time: 00:00:00.366199 Performance: 40.891 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:25:48,268 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489600 97920 59.972 -31751 6573 -38324 -38324 -0.55343 -21.501 0.26421 8.5588e+05 2024-05-19 04:26:23,220 INFO [main.py:798]
{rank 0/64} MD step = 489700 step time: 00:00:00.357543 Performance: 40.891 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:26:56,295 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489700 97940 60.312 -31901 6610.3 -38511 -38511 -0.55005 -21.503 0.26274 8.5599e+05 2024-05-19 04:27:31,411 INFO [main.py:798]
{rank 0/64} MD step = 489800 step time: 00:00:00.326854 Performance: 40.886 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:27:43,480 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489800 97960 60.714 -31759 6654.3 -38414 -38414 -0.54872 -21.503 0.26073 8.5615e+05 2024-05-19 04:28:17,193 INFO [main.py:798]
{rank 0/64} MD step = 489900 step time: 00:00:00.325649 Performance: 40.885 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:28:25,932 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489900 97980 60.629 -31964 6645 -38609 -38609 -0.54662 -21.505 0.25996 8.5633e+05 2024-05-19 04:29:00,924 INFO [main.py:798]
{rank 0/64} MD step = 490000 step time: 00:00:00.352126 Performance: 40.885 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:29:09,604 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 490000 98000 59.839 -31883 6558.4 -38442 -38442 -0.53965 -21.505 0.26073 8.5652e+05 2024-05-19 04:29:45,082 INFO [main.py:798]
{rank 0/64} MD step = 490100 step time: 00:00:00.330016 Performance: 40.884 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:29:55,652 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 59.051 -32113 6472.1 -38586 -38586 -0.53421 -21.505 0.26038 8.5666e+05 2024-05-19 04:30:30,328 INFO [main.py:798]
{rank 0/64} MD step = 490200 step time: 00:00:00.356396 Performance: 40.884 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:30:39,695 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 490200 98040 60.194 -32006 6597.3 -38603 -38603 -0.53142 -21.507 0.25983 8.568e+05 2024-05-19 04:31:14,517 INFO [main.py:798]
{rank 0/64} MD step = 490300 step time: 00:00:00.371171 Performance: 40.883 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:31:20,819 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 490300 98060 59.659 -32078 6538.7 -38617 -38617 -0.52673 -21.508 0.25982 8.5701e+05 2024-05-19 04:31:57,615 INFO [main.py:798]
{rank 0/64} MD step = 490400 step time: 00:00:00.353279 Performance: 40.883 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:32:05,985 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 59.792 -31866 6553.3 -38419 -38419 -0.52327 -21.509 0.26084 8.572e+05 2024-05-19 04:32:41,069 INFO [main.py:798]
{rank 0/64} MD step = 490500 step time: 00:00:00.377098 Performance: 40.883 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:32:46,492 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 490500 98100 60.386 -31978 6618.4 -38597 -38597 -0.51931 -21.51 0.26024 8.5735e+05 2024-05-19 04:33:23,140 INFO [main.py:798]
{rank 0/64} MD step = 490600 step time: 00:00:00.348996 Performance: 40.883 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:33:29,183 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 61.442 -31769 6734.1 -38504 -38504 -0.51448 -21.512 0.26113 8.5755e+05 2024-05-19 04:34:03,786 INFO [main.py:798]
{rank 0/64} MD step = 490700 step time: 00:00:00.357980 Performance: 40.883 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:34:11,389 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 60.482 -31884 6628.9 -38513 -38513 -0.51064 -21.512 0.26017 8.5773e+05 2024-05-19 04:34:46,603 INFO [main.py:798]
{rank 0/64} MD step = 490800 step time: 00:00:00.377338 Performance: 40.883 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:34:55,355 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 490800 98160 60.439 -31813 6624.2 -38438 -38438 -0.50376 -21.512 0.25839 8.579e+05 2024-05-19 04:35:29,996 INFO [main.py:798]
{rank 0/64} MD step = 490900 step time: 00:00:00.354194 Performance: 40.883 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:35:41,297 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 490900 98180 60.957 -31856 6680.9 -38537 -38537 -0.4993 -21.513 0.25681 8.5805e+05 2024-05-19 04:36:15,817 INFO [main.py:798]
{rank 0/64} MD step = 491000 step time: 00:00:00.385232 Performance: 40.882 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:36:21,782 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 491000 98200 59.897 -31961 6564.8 -38525 -38525 -0.49578 -21.515 0.25615 8.5826e+05 2024-05-19 04:36:57,308 INFO [main.py:798]
{rank 0/64} MD step = 491100 step time: 00:00:00.333318 Performance: 40.882 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:37:04,154 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 60.646 -31988 6646.9 -38635 -38635 -0.49203 -21.516 0.2566 8.5844e+05 2024-05-19 04:37:38,643 INFO [main.py:798]
{rank 0/64} MD step = 491200 step time: 00:00:00.335933 Performance: 40.883 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:37:45,970 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 491200 98240 60.327 -31949 6611.9 -38561 -38561 -0.49077 -21.518 0.25716 8.5863e+05 2024-05-19 04:38:21,790 INFO [main.py:798]
{rank 0/64} MD step = 491300 step time: 00:00:00.329686 Performance: 40.882 ns/day 0.587 hours/ns 2.366 steps/s 2024-05-19 04:39:17,283 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 60.508 -31889 6631.7 -38521 -38521 -0.48786 -21.519 0.25619 8.5879e+05 2024-05-19 04:39:52,411 INFO [main.py:798]
{rank 0/64} MD step = 491400 step time: 00:00:00.353000 Performance: 40.873 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 04:39:59,071 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 59.382 -31864 6508.4 -38373 -38373 -0.48664 -21.52 0.25571 8.5903e+05 2024-05-19 04:40:34,985 INFO [main.py:798]
{rank 0/64} MD step = 491500 step time: 00:00:00.357229 Performance: 40.873 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 04:40:41,591 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 60.001 -31955 6576.2 -38531 -38531 -0.48533 -21.52 0.25426 8.5919e+05 2024-05-19 04:41:16,223 INFO [main.py:798]
{rank 0/64} MD step = 491600 step time: 00:00:00.333356 Performance: 40.873 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 04:41:56,807 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 491600 98320 59.988 -31814 6574.7 -38389 -38389 -0.48153 -21.52 0.25189 8.5938e+05 2024-05-19 04:42:33,979 INFO [main.py:798]
{rank 0/64} MD step = 491700 step time: 00:00:00.350875 Performance: 40.866 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 04:42:41,056 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 491700 98340 60.162 -31886 6593.8 -38480 -38480 -0.47884 -21.52 0.25243 8.5955e+05 2024-05-19 04:43:15,773 INFO [main.py:798]
{rank 0/64} MD step = 491800 step time: 00:00:00.358784 Performance: 40.866 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 04:43:23,962 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 491800 98360 60.171 -31719 6594.8 -38314 -38314 -0.47544 -21.52 0.25095 8.5972e+05 2024-05-19 04:43:58,429 INFO [main.py:798]
{rank 0/64} MD step = 491900 step time: 00:00:00.346932 Performance: 40.866 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 04:44:10,328 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 58.907 -31921 6456.3 -38377 -38377 -0.47256 -21.52 0.2502 8.5989e+05 2024-05-19 04:44:44,800 INFO [main.py:798]
{rank 0/64} MD step = 492000 step time: 00:00:00.346317 Performance: 40.865 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 04:44:52,440 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 60.359 -31767 6615.4 -38382 -38382 -0.46803 -21.521 0.24942 8.6006e+05 2024-05-19 04:45:27,652 INFO [main.py:798]
{rank 0/64} MD step = 492100 step time: 00:00:00.377780 Performance: 40.865 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 04:45:38,236 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492100 98420 60.586 -31805 6640.3 -38445 -38445 -0.46686 -21.522 0.24836 8.6023e+05 2024-05-19 04:46:13,043 INFO [main.py:798]
{rank 0/64} MD step = 492200 step time: 00:00:00.343041 Performance: 40.865 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 04:46:20,846 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492200 98440 59.914 -31738 6566.7 -38304 -38304 -0.46309 -21.524 0.24784 8.604e+05 2024-05-19 04:46:57,162 INFO [main.py:798]
{rank 0/64} MD step = 492300 step time: 00:00:00.353181 Performance: 40.864 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 04:47:07,487 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492300 98460 60.323 -31838 6611.5 -38450 -38450 -0.45709 -21.525 0.24679 8.6058e+05 2024-05-19 04:47:42,161 INFO [main.py:798]
{rank 0/64} MD step = 492400 step time: 00:00:00.339701 Performance: 40.864 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 04:47:52,776 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492400 98480 60.286 -31813 6607.4 -38420 -38420 -0.45334 -21.525 0.24485 8.6073e+05 2024-05-19 04:48:27,320 INFO [main.py:798]
{rank 0/64} MD step = 492500 step time: 00:00:00.326815 Performance: 40.863 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 04:48:33,690 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492500 98500 59.609 -32023 6533.2 -38556 -38556 -0.44907 -21.525 0.24386 8.6089e+05 2024-05-19 04:49:08,273 INFO [main.py:798]
{rank 0/64} MD step = 492600 step time: 00:00:00.326941 Performance: 40.863 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 04:49:23,522 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 60.007 -31920 6576.9 -38497 -38497 -0.44498 -21.526 0.24332 8.6107e+05 2024-05-19 04:49:58,142 INFO [main.py:798]
{rank 0/64} MD step = 492700 step time: 00:00:00.326452 Performance: 40.862 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 04:50:04,915 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492700 98540 59.692 -31941 6542.4 -38484 -38484 -0.4429 -21.527 0.24177 8.6125e+05 2024-05-19 04:50:38,660 INFO [main.py:798]
{rank 0/64} MD step = 492800 step time: 00:00:00.342341 Performance: 40.862 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 04:50:43,792 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492800 98560 59.881 -31855 6563.1 -38418 -38418 -0.43792 -21.528 0.2416 8.6146e+05 2024-05-19 04:51:20,341 INFO [main.py:798]
{rank 0/64} MD step = 492900 step time: 00:00:00.329439 Performance: 40.862 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 04:51:29,486 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 58.888 -32188 6454.2 -38642 -38642 -0.43435 -21.529 0.24093 8.6164e+05 2024-05-19 04:52:04,665 INFO [main.py:798]
{rank 0/64} MD step = 493000 step time: 00:00:00.340974 Performance: 40.862 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 04:52:13,265 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493000 98600 60.311 -32137 6610.2 -38747 -38747 -0.43077 -21.529 0.24043 8.6175e+05 2024-05-19 04:52:47,014 INFO [main.py:798]
{rank 0/64} MD step = 493100 step time: 00:00:00.342470 Performance: 40.862 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 04:52:55,018 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493100 98620 60.676 -31870 6650.2 -38520 -38520 -0.42825 -21.53 0.23946 8.6199e+05 2024-05-19 04:53:31,140 INFO [main.py:798]
{rank 0/64} MD step = 493200 step time: 00:00:00.352529 Performance: 40.862 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 04:53:37,642 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493200 98640 59.857 -32024 6560.4 -38584 -38584 -0.4257 -21.531 0.23858 8.6213e+05 2024-05-19 04:54:11,780 INFO [main.py:798]
{rank 0/64} MD step = 493300 step time: 00:00:00.356400 Performance: 40.862 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 04:54:18,050 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493300 98660 60.153 -32006 6592.8 -38599 -38599 -0.42259 -21.533 0.23759 8.623e+05 2024-05-19 04:54:53,317 INFO [main.py:798]
{rank 0/64} MD step = 493400 step time: 00:00:00.350935 Performance: 40.862 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 04:55:00,914 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493400 98680 60.21 -31986 6599.1 -38585 -38585 -0.41976 -21.534 0.23847 8.6247e+05 2024-05-19 04:55:34,925 INFO [main.py:798]
{rank 0/64} MD step = 493500 step time: 00:00:00.346964 Performance: 40.862 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 04:55:51,709 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 59.665 -31990 6539.4 -38530 -38530 -0.41618 -21.534 0.23868 8.6265e+05 2024-05-19 04:56:26,371 INFO [main.py:798]
{rank 0/64} MD step = 493600 step time: 00:00:00.351852 Performance: 40.860 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 04:56:37,827 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 59.234 -32066 6492.1 -38558 -38558 -0.40863 -21.535 0.23959 8.6285e+05 2024-05-19 04:57:12,186 INFO [main.py:798]
{rank 0/64} MD step = 493700 step time: 00:00:00.342349 Performance: 40.860 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 04:57:19,427 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493700 98740 59.597 -32037 6531.9 -38569 -38569 -0.40557 -21.536 0.23982 8.6301e+05 2024-05-19 04:57:54,851 INFO [main.py:798]
{rank 0/64} MD step = 493800 step time: 00:00:00.352311 Performance: 40.860 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 04:58:06,331 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493800 98760 59.568 -32067 6528.8 -38596 -38596 -0.39923 -21.537 0.24029 8.6319e+05 2024-05-19 04:58:40,591 INFO [main.py:798]
{rank 0/64} MD step = 493900 step time: 00:00:00.326246 Performance: 40.859 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 04:58:49,232 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493900 98780 59.994 -31916 6575.4 -38492 -38492 -0.39329 -21.537 0.2407 8.6335e+05 2024-05-19 04:59:24,448 INFO [main.py:798]
{rank 0/64} MD step = 494000 step time: 00:00:00.332803 Performance: 40.859 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 04:59:30,436 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494000 98800 59.893 -31935 6564.3 -38499 -38499 -0.38979 -21.54 0.23904 8.635e+05 2024-05-19 05:00:06,910 INFO [main.py:798]
{rank 0/64} MD step = 494100 step time: 00:00:00.336720 Performance: 40.859 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:00:13,971 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494100 98820 59.833 -31994 6557.7 -38552 -38552 -0.38528 -21.541 0.23788 8.6368e+05 2024-05-19 05:00:47,901 INFO [main.py:798]
{rank 0/64} MD step = 494200 step time: 00:00:00.330155 Performance: 40.859 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:00:54,304 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494200 98840 61.014 -31785 6687.2 -38472 -38472 -0.38383 -21.543 0.23696 8.6385e+05 2024-05-19 05:01:27,862 INFO [main.py:798]
{rank 0/64} MD step = 494300 step time: 00:00:00.332330 Performance: 40.859 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:01:31,781 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494300 98860 58.77 -32053 6441.3 -38494 -38494 -0.3797 -21.544 0.23555 8.6402e+05 2024-05-19 05:02:07,532 INFO [main.py:798]
{rank 0/64} MD step = 494400 step time: 00:00:00.327388 Performance: 40.860 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:02:14,124 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494400 98880 59.747 -31906 6548.4 -38454 -38454 -0.37812 -21.542 0.23525 8.6419e+05 2024-05-19 05:02:49,015 INFO [main.py:798]
{rank 0/64} MD step = 494500 step time: 00:00:00.332203 Performance: 40.860 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:02:56,413 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 60.306 -31934 6609.6 -38543 -38543 -0.37457 -21.544 0.23485 8.6439e+05 2024-05-19 05:03:33,028 INFO [main.py:798]
{rank 0/64} MD step = 494600 step time: 00:00:00.326085 Performance: 40.860 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:03:38,696 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494600 98920 60.092 -31981 6586.1 -38567 -38567 -0.36922 -21.544 0.23388 8.6457e+05 2024-05-19 05:04:15,135 INFO [main.py:798]
{rank 0/64} MD step = 494700 step time: 00:00:00.327098 Performance: 40.860 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:04:22,966 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494700 98940 59.638 -32110 6536.4 -38646 -38646 -0.36794 -21.545 0.23282 8.6471e+05 2024-05-19 05:04:57,205 INFO [main.py:798]
{rank 0/64} MD step = 494800 step time: 00:00:00.327025 Performance: 40.860 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:05:01,492 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494800 98960 60.416 -32003 6621.7 -38624 -38624 -0.3641 -21.546 0.23169 8.6488e+05 2024-05-19 05:05:36,830 INFO [main.py:798]
{rank 0/64} MD step = 494900 step time: 00:00:00.339495 Performance: 40.860 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:05:43,854 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 59.94 -31915 6569.5 -38485 -38485 -0.36162 -21.546 0.23059 8.6512e+05 2024-05-19 05:06:18,050 INFO [main.py:798]
{rank 0/64} MD step = 495000 step time: 00:00:00.329643 Performance: 40.861 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:06:24,163 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495000 99000 59.877 -31970 6562.6 -38533 -38533 -0.35861 -21.547 0.23014 8.6527e+05 2024-05-19 05:06:58,904 INFO [main.py:798]
{rank 0/64} MD step = 495100 step time: 00:00:00.326482 Performance: 40.861 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:07:05,926 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495100 99020 59.924 -32026 6567.7 -38594 -38594 -0.3556 -21.549 0.22917 8.6545e+05 2024-05-19 05:07:41,087 INFO [main.py:798]
{rank 0/64} MD step = 495200 step time: 00:00:00.328154 Performance: 40.861 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:07:47,818 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495200 99040 60.567 -31757 6638.2 -38395 -38395 -0.35238 -21.552 0.22692 8.6565e+05 2024-05-19 05:08:22,534 INFO [main.py:798]
{rank 0/64} MD step = 495300 step time: 00:00:00.327657 Performance: 40.861 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:08:29,136 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 60.692 -31764 6651.9 -38416 -38416 -0.34855 -21.554 0.22611 8.6585e+05 2024-05-19 05:09:05,169 INFO [main.py:798]
{rank 0/64} MD step = 495400 step time: 00:00:00.328341 Performance: 40.861 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:09:13,191 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495400 99080 60.412 -31923 6621.2 -38545 -38545 -0.34549 -21.557 0.226 8.6598e+05 2024-05-19 05:09:46,810 INFO [main.py:798]
{rank 0/64} MD step = 495500 step time: 00:00:00.359532 Performance: 40.861 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:09:54,156 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495500 99100 60.625 -31907 6644.6 -38551 -38551 -0.34229 -21.558 0.2239 8.6613e+05 2024-05-19 05:10:28,360 INFO [main.py:798]
{rank 0/64} MD step = 495600 step time: 00:00:00.342230 Performance: 40.861 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:10:43,118 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 60.489 -31874 6629.7 -38504 -38504 -0.33952 -21.559 0.22032 8.6632e+05 2024-05-19 05:11:18,263 INFO [main.py:798]
{rank 0/64} MD step = 495700 step time: 00:00:00.367421 Performance: 40.860 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:11:28,548 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 60.069 -31927 6583.7 -38510 -38510 -0.33583 -21.559 0.21886 8.6648e+05 2024-05-19 05:12:02,812 INFO [main.py:798]
{rank 0/64} MD step = 495800 step time: 00:00:00.346948 Performance: 40.859 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:12:08,615 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495800 99160 59.396 -32125 6509.9 -38635 -38635 -0.33267 -21.56 0.21708 8.6665e+05 2024-05-19 05:12:43,077 INFO [main.py:798]
{rank 0/64} MD step = 495900 step time: 00:00:00.345877 Performance: 40.860 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:12:51,573 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 60.598 -31779 6641.7 -38421 -38421 -0.33 -21.56 0.21615 8.6687e+05 2024-05-19 05:13:27,144 INFO [main.py:798]
{rank 0/64} MD step = 496000 step time: 00:00:00.376386 Performance: 40.859 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:13:33,939 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496000 99200 60.325 -31776 6611.7 -38388 -38388 -0.32662 -21.56 0.21504 8.6703e+05 2024-05-19 05:14:08,435 INFO [main.py:798]
{rank 0/64} MD step = 496100 step time: 00:00:00.369167 Performance: 40.860 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:14:16,098 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496100 99220 59.296 -31997 6498.9 -38496 -38496 -0.32208 -21.561 0.21407 8.6719e+05 2024-05-19 05:14:51,718 INFO [main.py:798]
{rank 0/64} MD step = 496200 step time: 00:00:00.368119 Performance: 40.859 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:14:59,684 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 60.378 -31770 6617.5 -38388 -38388 -0.31733 -21.563 0.21302 8.6738e+05 2024-05-19 05:15:34,003 INFO [main.py:798]
{rank 0/64} MD step = 496300 step time: 00:00:00.351834 Performance: 40.859 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:15:42,371 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496300 99260 60.699 -32009 6652.7 -38661 -38661 -0.31282 -21.566 0.21205 8.6753e+05 2024-05-19 05:16:17,000 INFO [main.py:798]
{rank 0/64} MD step = 496400 step time: 00:00:00.335920 Performance: 40.859 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:16:25,481 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 60.04 -31912 6580.4 -38493 -38493 -0.30806 -21.567 0.21195 8.6767e+05 2024-05-19 05:16:59,590 INFO [main.py:798]
{rank 0/64} MD step = 496500 step time: 00:00:00.347234 Performance: 40.859 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:17:06,146 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496500 99300 58.95 -32112 6461 -38573 -38573 -0.30399 -21.568 0.21209 8.6784e+05 2024-05-19 05:17:40,351 INFO [main.py:798]
{rank 0/64} MD step = 496600 step time: 00:00:00.342186 Performance: 40.859 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:17:47,044 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 60.276 -31846 6606.3 -38452 -38452 -0.29879 -21.568 0.21142 8.6801e+05 2024-05-19 05:18:21,533 INFO [main.py:798]
{rank 0/64} MD step = 496700 step time: 00:00:00.334880 Performance: 40.860 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:18:27,260 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496700 99340 60.141 -31776 6591.5 -38368 -38368 -0.29556 -21.57 0.20982 8.6816e+05 2024-05-19 05:19:02,703 INFO [main.py:798]
{rank 0/64} MD step = 496800 step time: 00:00:00.350917 Performance: 40.860 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:19:09,759 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 60.403 -31752 6620.3 -38373 -38373 -0.29249 -21.571 0.2087 8.6834e+05 2024-05-19 05:19:43,989 INFO [main.py:798]
{rank 0/64} MD step = 496900 step time: 00:00:00.352570 Performance: 40.860 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:19:52,383 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496900 99380 60.696 -31733 6652.3 -38386 -38386 -0.2895 -21.571 0.20952 8.6851e+05 2024-05-19 05:20:28,527 INFO [main.py:798]
{rank 0/64} MD step = 497000 step time: 00:00:00.358047 Performance: 40.860 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:20:35,006 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 497000 99400 59.913 -31868 6566.5 -38435 -38435 -0.2855 -21.572 0.2102 8.6865e+05 2024-05-19 05:21:10,240 INFO [main.py:798]
{rank 0/64} MD step = 497100 step time: 00:00:00.343886 Performance: 40.860 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:21:16,163 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 497100 99420 59.942 -31920 6569.7 -38490 -38490 -0.28284 -21.575 0.20984 8.6884e+05 2024-05-19 05:21:51,982 INFO [main.py:798]
{rank 0/64} MD step = 497200 step time: 00:00:00.355279 Performance: 40.860 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:21:58,371 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 58.792 -31989 6443.7 -38433 -38433 -0.27926 -21.575 0.20948 8.6899e+05 2024-05-19 05:22:32,766 INFO [main.py:798]
{rank 0/64} MD step = 497300 step time: 00:00:00.350007 Performance: 40.860 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:22:39,406 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 60.546 -31744 6635.9 -38380 -38380 -0.27457 -21.575 0.20739 8.6915e+05 2024-05-19 05:23:14,020 INFO [main.py:798]
{rank 0/64} MD step = 497400 step time: 00:00:00.350512 Performance: 40.860 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:23:20,348 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 497400 99480 59.911 -31964 6566.3 -38531 -38531 -0.272 -21.577 0.20525 8.6934e+05 2024-05-19 05:23:56,064 INFO [main.py:798]
{rank 0/64} MD step = 497500 step time: 00:00:00.347079 Performance: 40.860 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:24:04,375 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 497500 99500 59.702 -31934 6543.4 -38478 -38478 -0.26992 -21.577 0.20255 8.6949e+05 2024-05-19 05:24:38,183 INFO [main.py:798]
{rank 0/64} MD step = 497600 step time: 00:00:00.343926 Performance: 40.860 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:24:45,863 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 58.87 -31920 6452.3 -38372 -38372 -0.26278 -21.577 0.20089 8.6968e+05 2024-05-19 05:25:23,365 INFO [main.py:798]
{rank 0/64} MD step = 497700 step time: 00:00:00.357431 Performance: 40.860 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:25:29,976 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 497700 99540 60.684 -31854 6651.1 -38505 -38505 -0.26036 -21.576 0.19986 8.6986e+05 2024-05-19 05:26:05,603 INFO [main.py:798]
{rank 0/64} MD step = 497800 step time: 00:00:00.343389 Performance: 40.860 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:26:12,032 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 58.834 -32063 6448.3 -38511 -38511 -0.255 -21.578 0.19813 8.7003e+05 2024-05-19 05:26:46,908 INFO [main.py:798]
{rank 0/64} MD step = 497900 step time: 00:00:00.353538 Performance: 40.860 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:26:54,130 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 59.583 -32013 6530.4 -38543 -38543 -0.24893 -21.579 0.19613 8.7018e+05 2024-05-19 05:27:30,040 INFO [main.py:798]
{rank 0/64} MD step = 498000 step time: 00:00:00.349617 Performance: 40.860 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:27:36,916 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 59.416 -32004 6512.1 -38516 -38516 -0.24415 -21.581 0.19498 8.7036e+05 2024-05-19 05:28:11,462 INFO [main.py:798]
{rank 0/64} MD step = 498100 step time: 00:00:00.358862 Performance: 40.860 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:28:20,645 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 60.282 -31909 6607 -38516 -38516 -0.24329 -21.582 0.19481 8.7053e+05 2024-05-19 05:28:58,055 INFO [main.py:798]
{rank 0/64} MD step = 498200 step time: 00:00:00.367675 Performance: 40.859 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:29:05,048 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 498200 99640 60.109 -31851 6588 -38439 -38439 -0.24034 -21.582 0.19472 8.7074e+05 2024-05-19 05:29:39,063 INFO [main.py:798]
{rank 0/64} MD step = 498300 step time: 00:00:00.349544 Performance: 40.859 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:29:47,011 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 60.017 -31957 6578 -38535 -38535 -0.23546 -21.582 0.19359 8.709e+05 2024-05-19 05:30:21,999 INFO [main.py:798]
{rank 0/64} MD step = 498400 step time: 00:00:00.345130 Performance: 40.859 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:30:30,248 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 60.171 -31810 6594.9 -38405 -38405 -0.23228 -21.585 0.19469 8.7111e+05 2024-05-19 05:31:06,128 INFO [main.py:798]
{rank 0/64} MD step = 498500 step time: 00:00:00.370568 Performance: 40.859 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:31:12,677 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 60.089 -31754 6585.9 -38339 -38339 -0.2298 -21.587 0.19408 8.7128e+05 2024-05-19 05:31:48,362 INFO [main.py:798]
{rank 0/64} MD step = 498600 step time: 00:00:00.353958 Performance: 40.859 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:31:54,941 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 59.663 -31926 6539.2 -38465 -38465 -0.22534 -21.587 0.19369 8.7143e+05 2024-05-19 05:32:30,832 INFO [main.py:798]
{rank 0/64} MD step = 498700 step time: 00:00:00.332432 Performance: 40.859 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:32:37,328 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 498700 99740 59.624 -31949 6534.8 -38483 -38483 -0.22101 -21.589 0.19197 8.7158e+05 2024-05-19 05:33:12,967 INFO [main.py:798]
{rank 0/64} MD step = 498800 step time: 00:00:00.329174 Performance: 40.859 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:33:20,637 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 498800 99760 60.333 -31843 6612.6 -38455 -38455 -0.21926 -21.59 0.19152 8.7176e+05 2024-05-19 05:33:55,759 INFO [main.py:798]
{rank 0/64} MD step = 498900 step time: 00:00:00.332013 Performance: 40.859 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:34:00,829 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 59.181 -31809 6486.3 -38295 -38295 -0.21639 -21.591 0.1911 8.7196e+05 2024-05-19 05:34:36,964 INFO [main.py:798]
{rank 0/64} MD step = 499000 step time: 00:00:00.326434 Performance: 40.859 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:34:43,626 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 499000 99800 59.863 -31920 6561 -38481 -38481 -0.21266 -21.592 0.19043 8.7213e+05 2024-05-19 05:35:17,987 INFO [main.py:798]
{rank 0/64} MD step = 499100 step time: 00:00:00.326219 Performance: 40.859 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:35:25,966 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 499100 99820 60.274 -31810 6606.1 -38416 -38416 -0.2098 -21.593 0.18972 8.7235e+05 2024-05-19 05:36:01,709 INFO [main.py:798]
{rank 0/64} MD step = 499200 step time: 00:00:00.333273 Performance: 40.859 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:36:08,295 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 59.931 -31870 6568.5 -38439 -38439 -0.2054 -21.594 0.18953 8.7251e+05 2024-05-19 05:36:42,937 INFO [main.py:798]
{rank 0/64} MD step = 499300 step time: 00:00:00.331692 Performance: 40.859 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:36:50,566 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 499300 99860 61.048 -31783 6690.9 -38473 -38473 -0.20239 -21.596 0.18971 8.7267e+05 2024-05-19 05:37:26,072 INFO [main.py:798]
{rank 0/64} MD step = 499400 step time: 00:00:00.335993 Performance: 40.859 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:37:34,974 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 499400 99880 59.971 -31944 6572.9 -38516 -38516 -0.19906 -21.597 0.1883 8.7284e+05 2024-05-19 05:38:08,893 INFO [main.py:798]
{rank 0/64} MD step = 499500 step time: 00:00:00.326745 Performance: 40.859 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:38:16,288 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 59.622 -31935 6534.7 -38470 -38470 -0.19773 -21.598 0.18752 8.7304e+05 2024-05-19 05:38:51,793 INFO [main.py:798]
{rank 0/64} MD step = 499600 step time: 00:00:00.326202 Performance: 40.859 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:38:59,001 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 59.126 -32046 6480.3 -38527 -38527 -0.19456 -21.599 0.18529 8.7321e+05 2024-05-19 05:39:33,590 INFO [main.py:798]
{rank 0/64} MD step = 499700 step time: 00:00:00.328720 Performance: 40.859 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:39:39,076 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 499700 99940 59.97 -31860 6572.8 -38433 -38433 -0.19102 -21.598 0.18477 8.7339e+05 2024-05-19 05:40:15,935 INFO [main.py:798]
{rank 0/64} MD step = 499800 step time: 00:00:00.333184 Performance: 40.859 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:40:24,519 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 499800 99960 60.297 -31935 6608.6 -38543 -38543 -0.18829 -21.599 0.18458 8.7355e+05 2024-05-19 05:40:57,212 INFO [main.py:798]
{rank 0/64} MD step = 499900 step time: 00:00:00.332641 Performance: 40.859 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:41:03,854 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 499900 99980 59.745 -32031 6548.1 -38579 -38579 -0.18409 -21.602 0.18291 8.737e+05 2024-05-19 05:41:38,589 INFO [main.py:798]
{rank 0/64} MD step = 500000 step time: 00:00:00.326966 Performance: 40.859 ns/day 0.587 hours/ns 2.365 steps/s 2024-05-19 05:41:47,443 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 60.13 -31983 6590.4 -38574 -38574 -0.18103 -21.602 0.18197 8.7387e+05 2024-05-19 05:41:47,483 INFO [main.py:1449]
{rank 0/64} Elapsed time: 2 days 10:45:04.341788 Setup time: 00:00:37.998102 MD loop time: 2 days 10:44:26.343686