2023-04-07 11:54:42,325 INFO [configure_runtime.py:131] {rank 0/100} __ __ ____ __ _______ / / / /_ __/ / /__ _________ _____ ______ / |/ / __ \ / /_/ / / / / / / _ \/ ___/ __ `/ __ `/ ___/ / /|_/ / / / / / __ / /_/ / / / __/ / / /_/ / /_/ (__ ) / / / / /_/ / /_/ /_/\__, /_/_/\___/_/ \__,_/\__,_/____/ /_/ /_/_____/ /____/ Version 1.0.8 Please read and cite accordingly the references below: [1] Milano, G.; Kawakatsu, T. Hybrid particle-field molecular dynamics simulations for dense polymer systems. J. Chem. Phys. 2009, 130, 214106. [2] Bore, S. L.; Cascella, M. Hamiltonian and alias-free hybrid particle–field molecular dynamics. J. Chem. Phys. 2020, 153, 094106. [3] Kolli, H. B.; De Nicola, A.; Bore, S. L.; Schäfer, K.; Diezemann, G.; Gauss, J.; Kawakatsu, T.;Lu, Z.-Y.; Zhu, Y.-L.; Milano, G.; Cascella, M. Hybrid Particle-Field Molecular DynamicsSimulations of Charged Amphiphiles in an Aqueous Environment. J. Chem. Theory Comput. 2018, 14, 4928–4937. [4] Bore, S. L.; Milano, G.; Cascella, M. Hybrid Particle-Field Model for Conformational Dynamics of Peptide Chains. J. Chem. Theory Comput. 2018, 14, 1120–1130. [5] Periole, X.; Cavalli, M.; Marrink, S. J.; Ceruso, M. A. Combining an elastic network with a coarse-grained molecular force field: structure, dynamics, and intermolecular recognition. J. Chem. Theory Comput. 2009, 5.9, 2531-2543. 2023-04-07 11:54:42,326 INFO [configure_runtime.py:155] {rank 0/100} Attempting to parse config file out_tempseries_test/a=6.16/T=50/config.tomli as .toml 2023-04-07 11:54:42,327 INFO [configure_runtime.py:163] {rank 0/100} Successfully parsed out_tempseries_test/a=6.16/T=50/config.tomli as .toml file 2023-04-07 11:54:42,327 INFO [configure_runtime.py:167] {rank 0/100} Config: /cluster/work/users/samiransen23/602499/out_tempseries_test/a=6.16/T=50/config.tomli -------------------------------------------------- n_steps: 500000 time_step: 0.2 mesh_size: [200, 200, 200] sigma: 0 kappa: 1000000 box_size: [8.008, 8.008, 8.008] n_print: 100 tau: 0.01 start_temperature: 50 target_temperature: 50 mass: 39.948 hamiltonian: DefaultWithChi domain_decomposition: None integrator: velocity-verlet respa_inner: 1 file_name: /cluster/work/users/samiransen23/602499/out_tempseries_test/a=6.16/T=50/config.tomli name: monoatomic fcc lattice tags: ['mono', 'crystal', 'lattice'] n_particles: 8788 max_molecule_size: 1 n_flush: 4 thermostat_work: 0.0 initial_energy: None cancel_com_momentum: False coulombtype: None convergence_type: None pol_mixing: None dielectric_const: None conv_crit: None dielectric_type: [] squaregradient: False rho0: None a: None pressure: False barostat: None barostat_type: None tau_p: None n_b: None m: [] filter: lj command_line_full: /cluster/work/users/samiransen23/602499/hymd/__main__.py out_tempseries_test/a=6.16/T=50/config.tomli out_tempseries_test/a=6.16/T=50/input.h5 --logfile=log.txt --verbose 4 --seed 5 --velocity-output --destdir out_tempseries_test/a=6.16/T=50 target_pressure: P_L: None P_N: None bonds: angle_bonds: dihedrals: chi: W W: 1.0 K_coupl: 2023-04-07 11:54:42,529 WARNING [input_parser.py:1220] {rank 0/100} config.n_b not specified.Defaulting to 1 2023-04-07 11:54:42,554 INFO [thermostat.py:37] {rank 0/100} Initialized 8788 velocities, target kinetic energy: 5480.0619701099995, actual kinetic energy generated: 5480.061970975399 2023-04-07 11:54:46,693 INFO [main.py:231]
{rank 0/100} pfft-python processor mesh: (10, 10) 2023-04-07 11:55:08,573 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 0 0 50 -42503 5480.1 -47983 -47983 -0.00034288 0.0003524 0.00028573 -2.3811e-05 2023-04-07 11:55:08,573 INFO [main.py:609]
{rank 0/100} MD step = 1 2023-04-07 11:55:10,676 INFO [main.py:643]
{rank 0/100} MD step = 100 step time: 00:00:00.018047 Performance: 830.001 ns/day 0.029 hours/ns 48.032 steps/s 2023-04-07 11:55:32,026 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 100 20 49.38 -35833 5412.1 -41245 -41245 0.001943 0.0026192 -0.0057813 889.78 2023-04-07 11:55:33,922 INFO [main.py:643]
{rank 0/100} MD step = 200 step time: 00:00:00.018225 Performance: 137.018 ns/day 0.175 hours/ns 7.929 steps/s 2023-04-07 11:55:56,115 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 200 40 50.357 -35810 5519.2 -41330 -41330 0.003705 0.0015001 -0.0053717 1035.7 2023-04-07 11:55:57,957 INFO [main.py:643]
{rank 0/100} MD step = 300 step time: 00:00:00.018036 Performance: 105.323 ns/day 0.228 hours/ns 6.095 steps/s 2023-04-07 11:56:02,979 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 300 60 50.151 -35972 5496.7 -41468 -41468 0.0036526 0.0019049 -0.005186 1172 2023-04-07 11:56:04,804 INFO [main.py:643]
{rank 0/100} MD step = 400 step time: 00:00:00.017948 Performance: 123.228 ns/day 0.195 hours/ns 7.131 steps/s 2023-04-07 11:56:13,008 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 400 80 49.44 -36071 5418.7 -41490 -41490 0.0048574 0.0031954 -0.0069337 1324 2023-04-07 11:56:14,911 INFO [main.py:643]
{rank 0/100} MD step = 500 step time: 00:00:00.017780 Performance: 130.502 ns/day 0.184 hours/ns 7.552 steps/s 2023-04-07 11:56:45,106 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 500 100 49.581 -35983 5434.1 -41417 -41417 0.0055241 0.0049908 -0.0073528 1490.4 2023-04-07 11:56:46,964 INFO [main.py:643]
{rank 0/100} MD step = 600 step time: 00:00:00.018146 Performance: 105.551 ns/day 0.227 hours/ns 6.108 steps/s 2023-04-07 11:57:00,665 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 600 120 49.695 -35979 5446.6 -41425 -41425 0.006167 0.0059051 -0.0067432 1651.3 2023-04-07 11:57:02,497 INFO [main.py:643]
{rank 0/100} MD step = 700 step time: 00:00:00.018862 Performance: 106.328 ns/day 0.226 hours/ns 6.153 steps/s 2023-04-07 11:57:15,238 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 700 140 50.066 -35934 5487.3 -41422 -41422 0.0059432 0.0068956 -0.0082052 1803.7 2023-04-07 11:57:17,095 INFO [main.py:643]
{rank 0/100} MD step = 800 step time: 00:00:00.018065 Performance: 107.696 ns/day 0.223 hours/ns 6.232 steps/s 2023-04-07 11:57:38,739 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 800 160 50.101 -35878 5491.1 -41369 -41369 0.007048 0.006648 -0.0076004 1973.4 2023-04-07 11:57:40,666 INFO [main.py:643]
{rank 0/100} MD step = 900 step time: 00:00:00.017959 Performance: 102.367 ns/day 0.234 hours/ns 5.924 steps/s 2023-04-07 11:57:53,881 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 900 180 50.576 -35901 5543.2 -41444 -41444 0.0075433 0.0076195 -0.0075433 2134.2 2023-04-07 11:57:55,728 INFO [main.py:643]
{rank 0/100} MD step = 1000 step time: 00:00:00.018255 Performance: 103.481 ns/day 0.232 hours/ns 5.988 steps/s 2023-04-07 11:58:08,827 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 1000 200 49.714 -36006 5448.7 -41455 -41455 0.0078481 0.0081528 -0.0086767 2246.3 2023-04-07 11:58:14,785 INFO [main.py:643]
{rank 0/100} MD step = 1100 step time: 00:00:00.017863 Performance: 102.170 ns/day 0.235 hours/ns 5.913 steps/s 2023-04-07 11:58:25,928 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 1100 220 50.318 -35900 5515 -41415 -41415 0.0085338 0.0095434 -0.0097339 2442 2023-04-07 11:58:27,786 INFO [main.py:643]
{rank 0/100} MD step = 1200 step time: 00:00:00.017958 Performance: 104.177 ns/day 0.230 hours/ns 6.029 steps/s 2023-04-07 11:58:52,174 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 1200 240 50.127 -36071 5494 -41565 -41565 0.0052479 0.011763 -0.009791 2545.3 2023-04-07 11:58:54,002 INFO [main.py:643]
{rank 0/100} MD step = 1300 step time: 00:00:00.017930 Performance: 99.727 ns/day 0.241 hours/ns 5.771 steps/s 2023-04-07 11:58:55,060 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 1300 260 50.516 -36039 5536.6 -41576 -41576 0.004005 0.013858 -0.0080385 2692.7 2023-04-07 11:58:56,943 INFO [main.py:643]
{rank 0/100} MD step = 1400 step time: 00:00:00.018056 Performance: 106.009 ns/day 0.226 hours/ns 6.135 steps/s 2023-04-07 11:59:08,976 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 1400 280 49.798 -36088 5458 -41546 -41546 0.00090481 0.016382 -0.0065718 2874.9 2023-04-07 11:59:11,250 INFO [main.py:643]
{rank 0/100} MD step = 1500 step time: 00:00:00.018035 Performance: 106.880 ns/day 0.225 hours/ns 6.185 steps/s 2023-04-07 11:59:24,080 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 1500 300 50.812 -35973 5569.1 -41542 -41542 -0.0015429 0.018415 -0.0067432 3001.5 2023-04-07 11:59:26,021 INFO [main.py:643]
{rank 0/100} MD step = 1600 step time: 00:00:00.018237 Performance: 107.460 ns/day 0.223 hours/ns 6.219 steps/s 2023-04-07 12:00:04,976 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 1600 320 49.923 -36134 5471.6 -41606 -41606 -0.0033049 0.020668 -0.0053098 3155.4 2023-04-07 12:00:06,931 INFO [main.py:643]
{rank 0/100} MD step = 1700 step time: 00:00:00.017981 Performance: 98.517 ns/day 0.244 hours/ns 5.701 steps/s 2023-04-07 12:00:15,563 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 1700 340 49.599 -36115 5436.2 -41551 -41551 -0.0057146 0.022268 -0.0044955 3315.8 2023-04-07 12:00:17,453 INFO [main.py:643]
{rank 0/100} MD step = 1800 step time: 00:00:00.018094 Performance: 100.755 ns/day 0.238 hours/ns 5.831 steps/s 2023-04-07 12:00:48,035 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 1800 360 49.85 -36127 5463.6 -41591 -41591 -0.0052717 0.024239 -0.004705 3458.6 2023-04-07 12:00:53,726 INFO [main.py:643]
{rank 0/100} MD step = 1900 step time: 00:00:00.018007 Performance: 95.173 ns/day 0.252 hours/ns 5.508 steps/s 2023-04-07 12:01:07,205 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 1900 380 49.892 -36011 5468.2 -41479 -41479 -0.0061313 0.025049 -0.0034859 3631.8 2023-04-07 12:01:09,210 INFO [main.py:643]
{rank 0/100} MD step = 2000 step time: 00:00:00.017985 Performance: 95.878 ns/day 0.250 hours/ns 5.549 steps/s 2023-04-07 12:01:52,243 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 2000 400 49.56 -36169 5431.9 -41601 -41601 -0.0073909 0.025487 -0.0024382 3784.9 2023-04-07 12:01:54,063 INFO [main.py:643]
{rank 0/100} MD step = 2100 step time: 00:00:00.018048 Performance: 89.534 ns/day 0.268 hours/ns 5.181 steps/s 2023-04-07 12:02:03,246 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 2100 420 50.877 -36030 5576.2 -41606 -41606 -0.0062742 0.026478 -0.0026859 3940.9 2023-04-07 12:02:05,169 INFO [main.py:643]
{rank 0/100} MD step = 2200 step time: 00:00:00.018023 Performance: 91.295 ns/day 0.263 hours/ns 5.283 steps/s 2023-04-07 12:02:22,391 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 2200 440 50.645 -35941 5550.7 -41491 -41491 -0.0044574 0.027202 -0.002362 4118.2 2023-04-07 12:02:24,225 INFO [main.py:643]
{rank 0/100} MD step = 2300 step time: 00:00:00.018098 Performance: 91.269 ns/day 0.263 hours/ns 5.282 steps/s 2023-04-07 12:03:07,337 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 2300 460 50.561 -36009 5541.5 -41551 -41551 -0.0072956 0.026935 -0.00065718 4254.7 2023-04-07 12:03:09,210 INFO [main.py:643]
{rank 0/100} MD step = 2400 step time: 00:00:00.018024 Performance: 86.321 ns/day 0.278 hours/ns 4.995 steps/s 2023-04-07 12:03:14,573 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 2400 480 49.463 -36188 5421.2 -41609 -41609 -0.0069909 0.028554 -0.00024763 4391.5 2023-04-07 12:03:16,461 INFO [main.py:643]
{rank 0/100} MD step = 2500 step time: 00:00:00.018167 Performance: 88.580 ns/day 0.271 hours/ns 5.126 steps/s 2023-04-07 12:03:25,030 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 2500 500 50.038 -36013 5484.3 -41497 -41497 -0.0079243 0.030783 -0.00052384 4583.4 2023-04-07 12:03:26,844 INFO [main.py:643]
{rank 0/100} MD step = 2600 step time: 00:00:00.018023 Performance: 90.202 ns/day 0.266 hours/ns 5.220 steps/s 2023-04-07 12:03:35,783 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 2600 520 49.517 -36021 5427.2 -41448 -41448 -0.0073718 0.032602 -0.0007048 4751.9 2023-04-07 12:03:37,770 INFO [main.py:643]
{rank 0/100} MD step = 2700 step time: 00:00:00.018082 Performance: 91.661 ns/day 0.262 hours/ns 5.304 steps/s 2023-04-07 12:03:46,215 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 2700 540 50.117 -36125 5492.9 -41618 -41618 -0.004886 0.035983 -0.0024287 4855.4 2023-04-07 12:03:48,100 INFO [main.py:643]
{rank 0/100} MD step = 2800 step time: 00:00:00.018001 Performance: 93.164 ns/day 0.258 hours/ns 5.391 steps/s 2023-04-07 12:03:57,363 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 2800 560 50.324 -35992 5515.6 -41507 -41507 -0.0057718 0.037926 -0.0032383 5029.8 2023-04-07 12:03:59,220 INFO [main.py:643]
{rank 0/100} MD step = 2900 step time: 00:00:00.018047 Performance: 94.468 ns/day 0.254 hours/ns 5.467 steps/s 2023-04-07 12:04:08,179 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 2900 580 49.799 -36168 5458.1 -41626 -41626 -0.0088243 0.03835 -0.001581 5163 2023-04-07 12:04:10,105 INFO [main.py:643]
{rank 0/100} MD step = 3000 step time: 00:00:00.018008 Performance: 95.760 ns/day 0.251 hours/ns 5.542 steps/s 2023-04-07 12:04:14,321 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 3000 600 50.395 -35946 5523.4 -41470 -41470 -0.010572 0.03944 -0.0010477 5330.4 2023-04-07 12:04:16,171 INFO [main.py:643]
{rank 0/100} MD step = 3100 step time: 00:00:00.017966 Performance: 97.855 ns/day 0.245 hours/ns 5.663 steps/s 2023-04-07 12:04:29,663 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 3100 620 49.959 -36004 5475.6 -41480 -41480 -0.01167 0.040388 -0.0011048 5491.2 2023-04-07 12:04:31,709 INFO [main.py:643]
{rank 0/100} MD step = 3200 step time: 00:00:00.017860 Performance: 98.224 ns/day 0.244 hours/ns 5.684 steps/s 2023-04-07 12:04:40,344 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 3200 640 49.526 -36198 5428.1 -41626 -41626 -0.012629 0.041793 -0.0011953 5616.6 2023-04-07 12:04:42,206 INFO [main.py:643]
{rank 0/100} MD step = 3300 step time: 00:00:00.018048 Performance: 99.439 ns/day 0.241 hours/ns 5.755 steps/s 2023-04-07 12:04:51,506 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 3300 660 50.112 -36062 5492.4 -41555 -41555 -0.015629 0.044136 -0.00068575 5776.8 2023-04-07 12:04:53,400 INFO [main.py:643]
{rank 0/100} MD step = 3400 step time: 00:00:00.018010 Performance: 100.490 ns/day 0.239 hours/ns 5.815 steps/s 2023-04-07 12:05:05,365 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 3400 680 49.739 -36069 5451.5 -41520 -41520 -0.016858 0.045069 0.0010667 5956.8 2023-04-07 12:05:07,287 INFO [main.py:643]
{rank 0/100} MD step = 3500 step time: 00:00:00.017996 Performance: 101.045 ns/day 0.238 hours/ns 5.848 steps/s 2023-04-07 12:05:08,475 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 3500 700 50.651 -35962 5551.5 -41514 -41514 -0.015353 0.046326 0.001562 6110.6 2023-04-07 12:05:10,392 INFO [main.py:643]
{rank 0/100} MD step = 3600 step time: 00:00:00.018007 Performance: 103.395 ns/day 0.232 hours/ns 5.984 steps/s 2023-04-07 12:05:18,485 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 3600 720 50.553 -36075 5540.6 -41616 -41616 -0.013829 0.046879 0.0017477 6263.6 2023-04-07 12:05:20,320 INFO [main.py:643]
{rank 0/100} MD step = 3700 step time: 00:00:00.018148 Performance: 104.542 ns/day 0.230 hours/ns 6.050 steps/s 2023-04-07 12:05:21,512 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 3700 740 49.92 -36085 5471.2 -41556 -41556 -0.014553 0.047126 0.00019049 6425.5 2023-04-07 12:05:23,327 INFO [main.py:643]
{rank 0/100} MD step = 3800 step time: 00:00:00.018024 Performance: 106.842 ns/day 0.225 hours/ns 6.183 steps/s 2023-04-07 12:05:31,621 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 3800 760 50.452 -36022 5529.6 -41552 -41552 -0.016458 0.047784 -0.00011429 6562.8 2023-04-07 12:05:33,588 INFO [main.py:643]
{rank 0/100} MD step = 3900 step time: 00:00:00.017945 Performance: 107.852 ns/day 0.223 hours/ns 6.241 steps/s 2023-04-07 12:05:46,661 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 3900 780 49.935 -36169 5472.9 -41642 -41642 -0.016277 0.050003 0.0018287 6723.1 2023-04-07 12:05:48,548 INFO [main.py:643]
{rank 0/100} MD step = 4000 step time: 00:00:00.018136 Performance: 108.031 ns/day 0.222 hours/ns 6.252 steps/s 2023-04-07 12:06:01,889 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 4000 800 49.831 -36034 5461.6 -41495 -41495 -0.015572 0.050136 0.0027573 6899.8 2023-04-07 12:06:03,796 INFO [main.py:643]
{rank 0/100} MD step = 4100 step time: 00:00:00.017990 Performance: 108.154 ns/day 0.222 hours/ns 6.259 steps/s 2023-04-07 12:06:12,758 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 4100 820 49.885 -36107 5467.5 -41574 -41574 -0.015525 0.051622 0.0018477 7100.4 2023-04-07 12:06:14,633 INFO [main.py:643]
{rank 0/100} MD step = 4200 step time: 00:00:00.018172 Performance: 108.989 ns/day 0.220 hours/ns 6.307 steps/s 2023-04-07 12:06:27,297 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 4200 840 49.798 -36126 5457.9 -41584 -41584 -0.016991 0.053541 0.0013906 7234.7 2023-04-07 12:06:33,054 INFO [main.py:643]
{rank 0/100} MD step = 4300 step time: 00:00:00.018190 Performance: 108.580 ns/day 0.221 hours/ns 6.284 steps/s 2023-04-07 12:06:42,180 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 4300 860 49.639 -36154 5440.5 -41595 -41595 -0.016782 0.054394 0.001943 7402.1 2023-04-07 12:06:44,159 INFO [main.py:643]
{rank 0/100} MD step = 4400 step time: 00:00:00.017926 Performance: 109.331 ns/day 0.220 hours/ns 6.327 steps/s 2023-04-07 12:06:48,573 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 4400 880 49.549 -36119 5430.6 -41549 -41549 -0.016401 0.05577 0.002493 7557.9 2023-04-07 12:06:50,658 INFO [main.py:643]
{rank 0/100} MD step = 4500 step time: 00:00:00.018530 Performance: 110.781 ns/day 0.217 hours/ns 6.411 steps/s 2023-04-07 12:07:12,250 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 4500 900 50.608 -36049 5546.7 -41596 -41596 -0.018268 0.058003 0.001181 7724.3 2023-04-07 12:07:14,100 INFO [main.py:643]
{rank 0/100} MD step = 4600 step time: 00:00:00.017951 Performance: 109.583 ns/day 0.219 hours/ns 6.342 steps/s 2023-04-07 12:07:27,259 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 4600 920 49.4 -36166 5414.3 -41580 -41580 -0.021363 0.058108 0.0014906 7887.8 2023-04-07 12:07:29,091 INFO [main.py:643]
{rank 0/100} MD step = 4700 step time: 00:00:00.017892 Performance: 109.698 ns/day 0.219 hours/ns 6.348 steps/s 2023-04-07 12:07:33,593 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 4700 940 49.976 -36047 5477.4 -41524 -41524 -0.022292 0.061089 0.00064766 8047.6 2023-04-07 12:07:35,448 INFO [main.py:643]
{rank 0/100} MD step = 4800 step time: 00:00:00.018024 Performance: 111.078 ns/day 0.216 hours/ns 6.428 steps/s 2023-04-07 12:07:40,718 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 4800 960 49.573 -36052 5433.3 -41486 -41486 -0.024239 0.062194 0.00013334 8198.8 2023-04-07 12:07:42,600 INFO [main.py:643]
{rank 0/100} MD step = 4900 step time: 00:00:00.018374 Performance: 112.316 ns/day 0.214 hours/ns 6.500 steps/s 2023-04-07 12:07:59,960 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 4900 980 49.952 -36059 5474.8 -41533 -41533 -0.023973 0.063065 -0.00057146 8351 2023-04-07 12:08:01,756 INFO [main.py:643]
{rank 0/100} MD step = 5000 step time: 00:00:00.018091 Performance: 111.768 ns/day 0.215 hours/ns 6.468 steps/s 2023-04-07 12:08:06,074 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 5000 1000 50.635 -36052 5549.6 -41602 -41602 -0.023811 0.064235 -0.0013334 8516.4 2023-04-07 12:08:07,915 INFO [main.py:643]
{rank 0/100} MD step = 5100 step time: 00:00:00.020526 Performance: 113.102 ns/day 0.212 hours/ns 6.545 steps/s 2023-04-07 12:08:12,789 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 5100 1020 49.501 -36275 5425.3 -41701 -41701 -0.024678 0.065966 -0.0013525 8663.7 2023-04-07 12:08:14,694 INFO [main.py:643]
{rank 0/100} MD step = 5200 step time: 00:00:00.017999 Performance: 114.325 ns/day 0.210 hours/ns 6.616 steps/s 2023-04-07 12:08:27,987 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 5200 1040 49.952 -36074 5474.8 -41549 -41549 -0.024868 0.068509 -0.0010191 8817.6 2023-04-07 12:08:32,050 INFO [main.py:643]
{rank 0/100} MD step = 5300 step time: 00:00:00.017924 Performance: 114.006 ns/day 0.211 hours/ns 6.598 steps/s 2023-04-07 12:08:40,756 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 5300 1060 50.219 -36093 5504.1 -41598 -41598 -0.026135 0.069985 -0.0013715 8963.4 2023-04-07 12:08:42,643 INFO [main.py:643]
{rank 0/100} MD step = 5400 step time: 00:00:00.017918 Performance: 114.645 ns/day 0.209 hours/ns 6.635 steps/s 2023-04-07 12:08:43,817 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 5400 1080 49.876 -36070 5466.4 -41537 -41537 -0.029564 0.070042 -0.0016763 9133 2023-04-07 12:08:45,794 INFO [main.py:643]
{rank 0/100} MD step = 5500 step time: 00:00:00.017962 Performance: 116.318 ns/day 0.206 hours/ns 6.731 steps/s 2023-04-07 12:09:01,876 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 5500 1100 50.451 -36036 5529.5 -41566 -41566 -0.030173 0.071785 -0.00038097 9305.3 2023-04-07 12:09:03,690 INFO [main.py:643]
{rank 0/100} MD step = 5600 step time: 00:00:00.017937 Performance: 115.894 ns/day 0.207 hours/ns 6.707 steps/s 2023-04-07 12:09:13,761 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 5600 1120 50.096 -36135 5490.6 -41626 -41626 -0.032221 0.073018 -0.00085719 9442.8 2023-04-07 12:09:15,579 INFO [main.py:643]
{rank 0/100} MD step = 5700 step time: 00:00:00.018205 Performance: 116.308 ns/day 0.206 hours/ns 6.731 steps/s 2023-04-07 12:09:27,489 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 5700 1140 50.01 -36116 5481.1 -41597 -41597 -0.034954 0.074566 -0.00047622 9595.6 2023-04-07 12:09:29,380 INFO [main.py:643]
{rank 0/100} MD step = 5800 step time: 00:00:00.017944 Performance: 116.450 ns/day 0.206 hours/ns 6.739 steps/s 2023-04-07 12:09:46,812 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 5800 1160 50.406 -35979 5524.5 -41504 -41504 -0.036726 0.076309 -0.00011429 9770.6 2023-04-07 12:09:52,705 INFO [main.py:643]
{rank 0/100} MD step = 5900 step time: 00:00:00.018009 Performance: 115.333 ns/day 0.208 hours/ns 6.674 steps/s 2023-04-07 12:10:16,853 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 5900 1180 50.103 -36068 5491.3 -41559 -41559 -0.03845 0.079295 0.00053336 9921.3 2023-04-07 12:10:19,874 INFO [main.py:643]
{rank 0/100} MD step = 6000 step time: 00:00:00.017849 Performance: 113.790 ns/day 0.211 hours/ns 6.585 steps/s 2023-04-07 12:10:20,903 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 6000 1200 49.633 -36132 5439.8 -41572 -41572 -0.038631 0.081262 0.00016191 10043 2023-04-07 12:10:22,814 INFO [main.py:643]
{rank 0/100} MD step = 6100 step time: 00:00:00.017993 Performance: 115.315 ns/day 0.208 hours/ns 6.673 steps/s 2023-04-07 12:10:30,433 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 6100 1220 50.728 -36013 5559.8 -41572 -41572 -0.040364 0.083481 0.00041907 10205 2023-04-07 12:10:32,329 INFO [main.py:643]
{rank 0/100} MD step = 6200 step time: 00:00:00.017974 Performance: 115.997 ns/day 0.207 hours/ns 6.713 steps/s 2023-04-07 12:10:53,408 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 6200 1240 50.401 -35931 5524 -41455 -41455 -0.041945 0.084386 0.00080005 10363 2023-04-07 12:10:55,241 INFO [main.py:643]
{rank 0/100} MD step = 6300 step time: 00:00:00.018090 Performance: 115.015 ns/day 0.209 hours/ns 6.656 steps/s 2023-04-07 12:11:02,661 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 6300 1260 51.119 -36000 5602.8 -41603 -41603 -0.044783 0.085548 -0.00076195 10502 2023-04-07 12:11:04,694 INFO [main.py:643]
{rank 0/100} MD step = 6400 step time: 00:00:00.018020 Performance: 115.685 ns/day 0.207 hours/ns 6.695 steps/s 2023-04-07 12:11:08,576 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 6400 1280 49.838 -36070 5462.3 -41532 -41532 -0.04526 0.085376 -0.0037812 10677 2023-04-07 12:11:11,167 INFO [main.py:643]
{rank 0/100} MD step = 6500 step time: 00:00:00.017945 Performance: 116.703 ns/day 0.206 hours/ns 6.754 steps/s 2023-04-07 12:11:32,202 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 6500 1300 49.974 -36057 5477.2 -41534 -41534 -0.045917 0.0873 -0.0028573 10836 2023-04-07 12:11:34,042 INFO [main.py:643]
{rank 0/100} MD step = 6600 step time: 00:00:00.018007 Performance: 115.747 ns/day 0.207 hours/ns 6.698 steps/s 2023-04-07 12:11:55,607 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 6600 1320 50.011 -36068 5481.2 -41549 -41549 -0.046145 0.088272 -0.0022096 10992 2023-04-07 12:12:01,905 INFO [main.py:643]
{rank 0/100} MD step = 6700 step time: 00:00:00.017947 Performance: 114.270 ns/day 0.210 hours/ns 6.613 steps/s 2023-04-07 12:12:45,075 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 6700 1340 50.397 -36005 5523.5 -41528 -41528 -0.048203 0.089072 -0.0037859 11136 2023-04-07 12:12:46,883 INFO [main.py:643]
{rank 0/100} MD step = 6800 step time: 00:00:00.017932 Performance: 111.046 ns/day 0.216 hours/ns 6.426 steps/s 2023-04-07 12:13:21,711 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 6800 1360 50.101 -36088 5491.1 -41579 -41579 -0.048165 0.089853 -0.0030573 11295 2023-04-07 12:13:23,617 INFO [main.py:643]
{rank 0/100} MD step = 6900 step time: 00:00:00.017931 Performance: 108.899 ns/day 0.220 hours/ns 6.302 steps/s 2023-04-07 12:13:40,674 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 6900 1380 49.686 -36093 5445.7 -41539 -41539 -0.050203 0.091129 -0.0028668 11455 2023-04-07 12:13:42,509 INFO [main.py:643]
{rank 0/100} MD step = 7000 step time: 00:00:00.018096 Performance: 108.603 ns/day 0.221 hours/ns 6.285 steps/s 2023-04-07 12:14:11,002 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 7000 1400 49.682 -36059 5445.2 -41504 -41504 -0.050398 0.092929 -0.0024001 11628 2023-04-07 12:14:12,861 INFO [main.py:643]
{rank 0/100} MD step = 7100 step time: 00:00:00.018075 Performance: 107.233 ns/day 0.224 hours/ns 6.206 steps/s 2023-04-07 12:14:30,269 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 7100 1420 49.838 -36074 5462.3 -41536 -41536 -0.05146 0.094296 -0.0030764 11762 2023-04-07 12:14:32,379 INFO [main.py:643]
{rank 0/100} MD step = 7200 step time: 00:00:00.018071 Performance: 106.919 ns/day 0.224 hours/ns 6.187 steps/s 2023-04-07 12:15:02,509 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 7200 1440 49.607 -36138 5436.9 -41575 -41575 -0.052141 0.094291 -0.0024001 11912 2023-04-07 12:15:04,437 INFO [main.py:643]
{rank 0/100} MD step = 7300 step time: 00:00:00.017809 Performance: 105.498 ns/day 0.227 hours/ns 6.105 steps/s 2023-04-07 12:15:13,829 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 7300 1460 49.777 -36073 5455.7 -41529 -41529 -0.053203 0.095148 -0.0021049 12072 2023-04-07 12:15:15,717 INFO [main.py:643]
{rank 0/100} MD step = 7400 step time: 00:00:00.018027 Performance: 105.944 ns/day 0.227 hours/ns 6.131 steps/s 2023-04-07 12:15:20,029 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 7400 1480 50.085 -36016 5489.4 -41506 -41506 -0.054108 0.098482 -0.00089529 12237 2023-04-07 12:15:34,326 INFO [main.py:643]
{rank 0/100} MD step = 7500 step time: 00:00:00.018000 Performance: 105.745 ns/day 0.227 hours/ns 6.120 steps/s 2023-04-07 12:16:00,577 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 7500 1500 48.976 -36173 5367.8 -41541 -41541 -0.055013 0.10081 0.00045717 12373 2023-04-07 12:16:02,521 INFO [main.py:643]
{rank 0/100} MD step = 7600 step time: 00:00:00.018402 Performance: 104.745 ns/day 0.229 hours/ns 6.062 steps/s 2023-04-07 12:16:19,672 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 7600 1520 50.216 -36120 5503.7 -41624 -41624 -0.055794 0.10107 0.0010334 12516 2023-04-07 12:16:21,537 INFO [main.py:643]
{rank 0/100} MD step = 7700 step time: 00:00:00.018012 Performance: 104.538 ns/day 0.230 hours/ns 6.050 steps/s 2023-04-07 12:16:37,093 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 7700 1540 50.244 -36083 5506.8 -41589 -41589 -0.055032 0.10183 0.0025716 12681 2023-04-07 12:16:38,896 INFO [main.py:643]
{rank 0/100} MD step = 7800 step time: 00:00:00.018163 Performance: 104.471 ns/day 0.230 hours/ns 6.046 steps/s 2023-04-07 12:16:47,909 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 7800 1560 50.009 -36144 5481.1 -41625 -41625 -0.054622 0.10228 0.003924 12840 2023-04-07 12:16:54,004 INFO [main.py:643]
{rank 0/100} MD step = 7900 step time: 00:00:00.018136 Performance: 104.586 ns/day 0.229 hours/ns 6.052 steps/s 2023-04-07 12:17:19,860 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 7900 1580 50.437 -36053 5528 -41581 -41581 -0.057589 0.10376 0.0032383 13012 2023-04-07 12:17:21,664 INFO [main.py:643]
{rank 0/100} MD step = 8000 step time: 00:00:00.017806 Performance: 103.712 ns/day 0.231 hours/ns 6.002 steps/s 2023-04-07 12:17:47,863 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 8000 1600 50.17 -35986 5498.7 -41484 -41484 -0.058822 0.10593 0.0019906 13148 2023-04-07 12:17:49,686 INFO [main.py:643]
{rank 0/100} MD step = 8100 step time: 00:00:00.018089 Performance: 102.846 ns/day 0.233 hours/ns 5.952 steps/s 2023-04-07 12:18:19,855 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 8100 1620 50.556 -35968 5541 -41509 -41509 -0.059794 0.10745 0.002343 13316 2023-04-07 12:18:21,686 INFO [main.py:643]
{rank 0/100} MD step = 8200 step time: 00:00:00.018037 Performance: 101.724 ns/day 0.236 hours/ns 5.887 steps/s 2023-04-07 12:18:33,517 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 8200 1640 50.632 -36101 5549.4 -41650 -41650 -0.062632 0.10913 0.0027335 13456 2023-04-07 12:18:35,377 INFO [main.py:643]
{rank 0/100} MD step = 8300 step time: 00:00:00.017998 Performance: 101.963 ns/day 0.235 hours/ns 5.901 steps/s 2023-04-07 12:18:48,286 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 8300 1660 50.376 -35989 5521.3 -41510 -41510 -0.06288 0.11206 0.0028954 13622 2023-04-07 12:18:50,216 INFO [main.py:643]
{rank 0/100} MD step = 8400 step time: 00:00:00.018065 Performance: 102.114 ns/day 0.235 hours/ns 5.909 steps/s 2023-04-07 12:19:07,129 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 8400 1680 50.847 -35995 5572.9 -41568 -41568 -0.063585 0.11406 0.0030287 13762 2023-04-07 12:19:09,130 INFO [main.py:643]
{rank 0/100} MD step = 8500 step time: 00:00:00.018035 Performance: 101.973 ns/day 0.235 hours/ns 5.901 steps/s 2023-04-07 12:19:24,665 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 8500 1700 49.956 -36015 5475.3 -41491 -41491 -0.061508 0.11439 0.0035526 13940 2023-04-07 12:19:26,536 INFO [main.py:643]
{rank 0/100} MD step = 8600 step time: 00:00:00.018534 Performance: 101.940 ns/day 0.235 hours/ns 5.899 steps/s 2023-04-07 12:19:52,534 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 8600 1720 49.403 -36102 5414.6 -41516 -41516 -0.060542 0.11526 0.0041098 14089 2023-04-07 12:19:54,341 INFO [main.py:643]
{rank 0/100} MD step = 8700 step time: 00:00:00.018004 Performance: 101.196 ns/day 0.237 hours/ns 5.856 steps/s 2023-04-07 12:20:20,714 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 8700 1740 50.029 -36139 5483.2 -41622 -41622 -0.061013 0.11431 0.0041907 14219 2023-04-07 12:20:22,811 INFO [main.py:643]
{rank 0/100} MD step = 8800 step time: 00:00:00.021128 Performance: 100.434 ns/day 0.239 hours/ns 5.812 steps/s 2023-04-07 12:20:40,130 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 8800 1760 49.928 -36131 5472.2 -41603 -41603 -0.061413 0.11604 0.0024478 14376 2023-04-07 12:20:42,071 INFO [main.py:643]
{rank 0/100} MD step = 8900 step time: 00:00:00.018199 Performance: 100.300 ns/day 0.239 hours/ns 5.804 steps/s 2023-04-07 12:21:03,199 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 8900 1780 50.682 -36001 5554.8 -41556 -41556 -0.064423 0.11686 0.0020525 14551 2023-04-07 12:21:13,863 INFO [main.py:643]
{rank 0/100} MD step = 9000 step time: 00:00:00.018018 Performance: 99.366 ns/day 0.242 hours/ns 5.750 steps/s 2023-04-07 12:21:35,540 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 9000 1800 49.477 -36107 5422.7 -41530 -41530 -0.065537 0.11696 0.0018668 14701 2023-04-07 12:21:37,604 INFO [main.py:643]
{rank 0/100} MD step = 9100 step time: 00:00:00.018113 Performance: 98.969 ns/day 0.242 hours/ns 5.727 steps/s 2023-04-07 12:21:54,728 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 9100 1820 49.378 -36194 5411.8 -41605 -41605 -0.066409 0.11668 0.0010953 14819 2023-04-07 12:21:56,538 INFO [main.py:643]
{rank 0/100} MD step = 9200 step time: 00:00:00.018007 Performance: 98.879 ns/day 0.243 hours/ns 5.722 steps/s 2023-04-07 12:22:01,554 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 9200 1840 50.146 -36141 5496 -41637 -41637 -0.068154 0.11831 0.002343 14992 2023-04-07 12:22:09,088 INFO [main.py:643]
{rank 0/100} MD step = 9300 step time: 00:00:00.017930 Performance: 99.179 ns/day 0.242 hours/ns 5.740 steps/s 2023-04-07 12:22:55,071 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 9300 1860 50.414 -35986 5525.4 -41512 -41512 -0.073357 0.11922 0.0022858 15190 2023-04-07 12:22:56,875 INFO [main.py:643]
{rank 0/100} MD step = 9400 step time: 00:00:00.017960 Performance: 97.374 ns/day 0.246 hours/ns 5.635 steps/s 2023-04-07 12:23:22,940 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 9400 1880 50.595 -36139 5545.2 -41685 -41685 -0.075042 0.11892 0.00095243 15312 2023-04-07 12:23:24,811 INFO [main.py:643]
{rank 0/100} MD step = 9500 step time: 00:00:00.018102 Performance: 96.789 ns/day 0.248 hours/ns 5.601 steps/s 2023-04-07 12:23:46,352 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 9500 1900 50.673 -36035 5553.8 -41589 -41589 -0.075909 0.12077 0.0028287 15472 2023-04-07 12:24:01,288 INFO [main.py:643]
{rank 0/100} MD step = 9600 step time: 00:00:00.018168 Performance: 95.749 ns/day 0.251 hours/ns 5.541 steps/s 2023-04-07 12:24:18,628 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 9600 1920 49.989 -36059 5478.9 -41537 -41537 -0.075623 0.12168 0.0033192 15621 2023-04-07 12:24:20,488 INFO [main.py:643]
{rank 0/100} MD step = 9700 step time: 00:00:00.017998 Performance: 95.686 ns/day 0.251 hours/ns 5.537 steps/s 2023-04-07 12:24:33,871 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 9700 1940 49.898 -36074 5468.9 -41543 -41543 -0.076538 0.12214 0.0024954 15757 2023-04-07 12:24:36,069 INFO [main.py:643]
{rank 0/100} MD step = 9800 step time: 00:00:00.017954 Performance: 95.820 ns/day 0.250 hours/ns 5.545 steps/s 2023-04-07 12:24:57,371 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 9800 1960 50.36 -36123 5519.6 -41643 -41643 -0.075157 0.12406 0.0034383 15906 2023-04-07 12:24:59,325 INFO [main.py:643]
{rank 0/100} MD step = 9900 step time: 00:00:00.017996 Performance: 95.540 ns/day 0.251 hours/ns 5.529 steps/s 2023-04-07 12:25:37,995 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 9900 1980 50.308 -35966 5513.8 -41480 -41480 -0.073809 0.12585 0.0022096 16071 2023-04-07 12:25:39,836 INFO [main.py:643]
{rank 0/100} MD step = 10000 step time: 00:00:00.018055 Performance: 94.371 ns/day 0.254 hours/ns 5.461 steps/s 2023-04-07 12:25:47,300 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 10000 2000 49.287 -36138 5401.9 -41540 -41540 -0.073842 0.12561 0.0035431 16239 2023-04-07 12:25:49,170 INFO [main.py:643]
{rank 0/100} MD step = 10100 step time: 00:00:00.017977 Performance: 94.831 ns/day 0.253 hours/ns 5.488 steps/s 2023-04-07 12:26:06,347 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 10100 2020 50.755 -36024 5562.8 -41586 -41586 -0.073871 0.12713 0.0026287 16384 2023-04-07 12:26:08,561 INFO [main.py:643]
{rank 0/100} MD step = 10200 step time: 00:00:00.018744 Performance: 94.771 ns/day 0.253 hours/ns 5.484 steps/s 2023-04-07 12:26:12,392 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 10200 2040 50.582 -36039 5543.9 -41583 -41583 -0.075776 0.12949 0.00093339 16538 2023-04-07 12:26:14,378 INFO [main.py:643]
{rank 0/100} MD step = 10300 step time: 00:00:00.017917 Performance: 95.402 ns/day 0.252 hours/ns 5.521 steps/s 2023-04-07 12:26:15,380 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 10300 2060 49.24 -36114 5396.7 -41511 -41511 -0.07669 0.13026 0.00099053 16714 2023-04-07 12:26:17,294 INFO [main.py:643]
{rank 0/100} MD step = 10400 step time: 00:00:00.018035 Performance: 96.178 ns/day 0.250 hours/ns 5.566 steps/s 2023-04-07 12:26:21,556 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 10400 2080 50.832 -36025 5571.2 -41597 -41597 -0.079338 0.13225 0.0010477 16859 2023-04-07 12:26:23,417 INFO [main.py:643]
{rank 0/100} MD step = 10500 step time: 00:00:00.017984 Performance: 96.785 ns/day 0.248 hours/ns 5.601 steps/s 2023-04-07 12:26:36,890 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 10500 2100 50.417 -36027 5525.8 -41553 -41553 -0.078747 0.13281 -8.81e-05 17013 2023-04-07 12:26:38,723 INFO [main.py:643]
{rank 0/100} MD step = 10600 step time: 00:00:00.018039 Performance: 96.916 ns/day 0.248 hours/ns 5.609 steps/s 2023-04-07 12:27:08,373 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 10600 2120 49.101 -36165 5381.6 -41546 -41546 -0.078823 0.13309 -0.00026668 17165 2023-04-07 12:27:10,238 INFO [main.py:643]
{rank 0/100} MD step = 10700 step time: 00:00:00.017923 Performance: 96.226 ns/day 0.249 hours/ns 5.569 steps/s 2023-04-07 12:27:27,491 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 10700 2140 49.357 -36121 5409.6 -41530 -41530 -0.077338 0.13365 -9.5243e-06 17314 2023-04-07 12:27:34,013 INFO [main.py:643]
{rank 0/100} MD step = 10800 step time: 00:00:00.018089 Performance: 95.938 ns/day 0.250 hours/ns 5.552 steps/s 2023-04-07 12:27:51,389 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 10800 2160 50.357 -35995 5519.2 -41514 -41514 -0.076614 0.13562 -0.00050003 17490 2023-04-07 12:27:53,334 INFO [main.py:643]
{rank 0/100} MD step = 10900 step time: 00:00:00.018086 Performance: 95.874 ns/day 0.250 hours/ns 5.548 steps/s 2023-04-07 12:28:06,389 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 10900 2180 50.493 -36020 5534.1 -41554 -41554 -0.079852 0.13911 -0.002343 17628 2023-04-07 12:28:08,235 INFO [main.py:643]
{rank 0/100} MD step = 11000 step time: 00:00:00.018044 Performance: 96.025 ns/day 0.250 hours/ns 5.557 steps/s 2023-04-07 12:28:17,090 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 11000 2200 50.493 -35946 5534.1 -41480 -41480 -0.079081 0.13994 -0.0024763 17793 2023-04-07 12:28:24,209 INFO [main.py:643]
{rank 0/100} MD step = 11100 step time: 00:00:00.018074 Performance: 96.122 ns/day 0.250 hours/ns 5.563 steps/s 2023-04-07 12:28:36,554 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 11100 2220 50.505 -36044 5535.5 -41579 -41579 -0.080785 0.14101 -0.0030573 17919 2023-04-07 12:28:38,466 INFO [main.py:643]
{rank 0/100} MD step = 11200 step time: 00:00:00.018023 Performance: 96.300 ns/day 0.249 hours/ns 5.573 steps/s 2023-04-07 12:28:55,905 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 11200 2240 50.468 -36011 5531.4 -41542 -41542 -0.083181 0.14039 -0.0018001 18093 2023-04-07 12:28:57,779 INFO [main.py:643]
{rank 0/100} MD step = 11300 step time: 00:00:00.017993 Performance: 96.235 ns/day 0.249 hours/ns 5.569 steps/s 2023-04-07 12:29:15,368 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 11300 2260 49.013 -36163 5371.9 -41535 -41535 -0.084931 0.1419 -0.00086314 18239 2023-04-07 12:29:17,175 INFO [main.py:643]
{rank 0/100} MD step = 11400 step time: 00:00:00.017916 Performance: 96.168 ns/day 0.250 hours/ns 5.565 steps/s 2023-04-07 12:29:38,724 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 11400 2280 49.992 -36019 5479.1 -41498 -41498 -0.087405 0.14359 -0.0003143 18416 2023-04-07 12:29:40,554 INFO [main.py:643]
{rank 0/100} MD step = 11500 step time: 00:00:00.017969 Performance: 95.917 ns/day 0.250 hours/ns 5.551 steps/s 2023-04-07 12:30:02,373 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 11500 2300 49.564 -36155 5432.3 -41587 -41587 -0.08751 0.1457 0.00014287 18536 2023-04-07 12:30:08,233 INFO [main.py:643]
{rank 0/100} MD step = 11600 step time: 00:00:00.017900 Performance: 95.475 ns/day 0.251 hours/ns 5.525 steps/s 2023-04-07 12:30:21,624 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 11600 2320 50.05 -36032 5485.6 -41517 -41517 -0.089767 0.14883 -0.001281 18686 2023-04-07 12:30:23,513 INFO [main.py:643]
{rank 0/100} MD step = 11700 step time: 00:00:00.018000 Performance: 95.602 ns/day 0.251 hours/ns 5.533 steps/s 2023-04-07 12:30:32,524 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 11700 2340 49.444 -36225 5419.1 -41644 -41644 -0.091329 0.15026 -0.0018287 18786 2023-04-07 12:30:42,962 INFO [main.py:643]
{rank 0/100} MD step = 11800 step time: 00:00:00.017940 Performance: 95.541 ns/day 0.251 hours/ns 5.529 steps/s 2023-04-07 12:31:00,272 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 11800 2360 50.572 -35982 5542.7 -41524 -41524 -0.094177 0.1528 -0.00088576 18963 2023-04-07 12:31:02,331 INFO [main.py:643]
{rank 0/100} MD step = 11900 step time: 00:00:00.018005 Performance: 95.484 ns/day 0.251 hours/ns 5.526 steps/s 2023-04-07 12:31:32,502 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 11900 2380 49.986 -36040 5478.5 -41518 -41518 -0.09551 0.15442 -0.00076195 19137 2023-04-07 12:31:34,381 INFO [main.py:643]
{rank 0/100} MD step = 12000 step time: 00:00:00.018148 Performance: 94.874 ns/day 0.253 hours/ns 5.490 steps/s 2023-04-07 12:31:35,432 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 12000 2400 49.879 -36142 5466.8 -41609 -41609 -0.095463 0.15599 -0.00032383 19285 2023-04-07 12:31:37,329 INFO [main.py:643]
{rank 0/100} MD step = 12100 step time: 00:00:00.018232 Performance: 95.536 ns/day 0.251 hours/ns 5.529 steps/s 2023-04-07 12:31:49,721 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 12100 2420 49.552 -36100 5431 -41530 -41530 -0.096448 0.15841 0.00060956 19457 2023-04-07 12:31:51,572 INFO [main.py:643]
{rank 0/100} MD step = 12200 step time: 00:00:00.018043 Performance: 95.703 ns/day 0.251 hours/ns 5.538 steps/s 2023-04-07 12:32:01,115 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 12200 2440 49.61 -36115 5437.3 -41552 -41552 -0.097963 0.15883 0.00072861 19593 2023-04-07 12:32:02,971 INFO [main.py:643]
{rank 0/100} MD step = 12300 step time: 00:00:00.018098 Performance: 95.991 ns/day 0.250 hours/ns 5.555 steps/s 2023-04-07 12:32:15,625 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 12300 2460 50.981 -36000 5587.5 -41588 -41588 -0.10183 0.15995 -0.00047622 19730 2023-04-07 12:32:17,522 INFO [main.py:643]
{rank 0/100} MD step = 12400 step time: 00:00:00.017909 Performance: 96.139 ns/day 0.250 hours/ns 5.564 steps/s 2023-04-07 12:32:30,691 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 12400 2480 49.667 -36128 5443.5 -41571 -41571 -0.10219 0.1611 -0.00054289 19906 2023-04-07 12:32:32,605 INFO [main.py:643]
{rank 0/100} MD step = 12500 step time: 00:00:00.017914 Performance: 96.263 ns/day 0.249 hours/ns 5.571 steps/s 2023-04-07 12:32:33,387 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 12500 2500 49.825 -36046 5460.9 -41507 -41507 -0.10317 0.16222 0.0014096 20062 2023-04-07 12:32:35,675 INFO [main.py:643]
{rank 0/100} MD step = 12600 step time: 00:00:00.017904 Performance: 96.900 ns/day 0.248 hours/ns 5.608 steps/s 2023-04-07 12:32:39,844 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 12600 2520 49.613 -36277 5437.6 -41715 -41715 -0.10399 0.16478 0.00081909 20180 2023-04-07 12:32:45,021 INFO [main.py:643]
{rank 0/100} MD step = 12700 step time: 00:00:00.018074 Performance: 97.265 ns/day 0.247 hours/ns 5.629 steps/s 2023-04-07 12:32:46,628 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 12700 2540 50.195 -36158 5501.4 -41659 -41659 -0.10433 0.16617 0.0013334 20330 2023-04-07 12:32:48,489 INFO [main.py:643]
{rank 0/100} MD step = 12800 step time: 00:00:00.018087 Performance: 97.880 ns/day 0.245 hours/ns 5.664 steps/s 2023-04-07 12:32:56,218 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 12800 2560 50.2 -36064 5502 -41566 -41566 -0.1052 0.16676 0.0015382 20527 2023-04-07 12:32:58,195 INFO [main.py:643]
{rank 0/100} MD step = 12900 step time: 00:00:00.017954 Performance: 98.223 ns/day 0.244 hours/ns 5.684 steps/s 2023-04-07 12:33:41,809 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 12900 2580 50.072 -35955 5488 -41443 -41443 -0.10477 0.16841 0.00097148 20696 2023-04-07 12:33:43,656 INFO [main.py:643]
{rank 0/100} MD step = 13000 step time: 00:00:00.017958 Performance: 97.041 ns/day 0.247 hours/ns 5.616 steps/s 2023-04-07 12:33:56,417 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 13000 2600 50.375 -36041 5521.1 -41563 -41563 -0.10604 0.1701 0.0006667 20837 2023-04-07 12:33:58,333 INFO [main.py:643]
{rank 0/100} MD step = 13100 step time: 00:00:00.017919 Performance: 97.171 ns/day 0.247 hours/ns 5.623 steps/s 2023-04-07 12:34:15,842 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 13100 2620 50.193 -36043 5501.3 -41544 -41544 -0.10721 0.1711 0.0016572 21010 2023-04-07 12:34:18,457 INFO [main.py:643]
{rank 0/100} MD step = 13200 step time: 00:00:00.017857 Performance: 97.074 ns/day 0.247 hours/ns 5.618 steps/s 2023-04-07 12:34:43,617 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 13200 2640 49.997 -36039 5479.8 -41518 -41518 -0.1077 0.17132 0.0019239 21162 2023-04-07 12:34:49,451 INFO [main.py:643]
{rank 0/100} MD step = 13300 step time: 00:00:00.018055 Performance: 96.536 ns/day 0.249 hours/ns 5.587 steps/s 2023-04-07 12:34:54,542 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 13300 2660 49.545 -36159 5430.2 -41589 -41589 -0.10822 0.1732 0.0012953 21325 2023-04-07 12:34:56,396 INFO [main.py:643]
{rank 0/100} MD step = 13400 step time: 00:00:00.017945 Performance: 96.979 ns/day 0.247 hours/ns 5.612 steps/s 2023-04-07 12:35:09,466 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 13400 2680 50.912 -35905 5580 -41485 -41485 -0.10803 0.17586 0.0018668 21480 2023-04-07 12:35:11,309 INFO [main.py:643]
{rank 0/100} MD step = 13500 step time: 00:00:00.018133 Performance: 97.097 ns/day 0.247 hours/ns 5.619 steps/s 2023-04-07 12:35:41,730 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 13500 2700 50.309 -36132 5513.9 -41646 -41646 -0.10871 0.17581 0.00050479 21633 2023-04-07 12:35:43,564 INFO [main.py:643]
{rank 0/100} MD step = 13600 step time: 00:00:00.017951 Performance: 96.520 ns/day 0.249 hours/ns 5.586 steps/s 2023-04-07 12:35:48,051 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 13600 2720 49.728 -36156 5450.3 -41606 -41606 -0.10877 0.17797 0.0021335 21808 2023-04-07 12:35:49,994 INFO [main.py:643]
{rank 0/100} MD step = 13700 step time: 00:00:00.018118 Performance: 96.974 ns/day 0.247 hours/ns 5.612 steps/s 2023-04-07 12:36:07,439 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 13700 2740 50.33 -35932 5516.2 -41448 -41448 -0.11212 0.17939 0.0015239 21989 2023-04-07 12:36:09,389 INFO [main.py:643]
{rank 0/100} MD step = 13800 step time: 00:00:00.018155 Performance: 96.911 ns/day 0.248 hours/ns 5.608 steps/s 2023-04-07 12:36:22,484 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 13800 2760 49.665 -36134 5443.3 -41577 -41577 -0.11311 0.17963 0.0020573 22113 2023-04-07 12:36:24,426 INFO [main.py:643]
{rank 0/100} MD step = 13900 step time: 00:00:00.018182 Performance: 97.021 ns/day 0.247 hours/ns 5.615 steps/s 2023-04-07 12:36:45,932 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 13900 2780 51.013 -35951 5591.1 -41543 -41543 -0.11425 0.18249 0.0030097 22273 2023-04-07 12:36:48,098 INFO [main.py:643]
{rank 0/100} MD step = 14000 step time: 00:00:00.017942 Performance: 96.793 ns/day 0.248 hours/ns 5.601 steps/s 2023-04-07 12:36:52,409 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 14000 2800 50.204 -36058 5502.4 -41560 -41560 -0.1174 0.18525 0.0033669 22422 2023-04-07 12:36:54,633 INFO [main.py:643]
{rank 0/100} MD step = 14100 step time: 00:00:00.017902 Performance: 97.230 ns/day 0.247 hours/ns 5.627 steps/s 2023-04-07 12:37:07,743 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 14100 2820 50.415 -35937 5525.6 -41463 -41463 -0.12083 0.18611 0.0022525 22594 2023-04-07 12:37:09,691 INFO [main.py:643]
{rank 0/100} MD step = 14200 step time: 00:00:00.018007 Performance: 97.335 ns/day 0.247 hours/ns 5.633 steps/s 2023-04-07 12:37:14,675 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 14200 2840 50.245 -36129 5507 -41636 -41636 -0.12121 0.18763 0.0047241 22736 2023-04-07 12:37:16,522 INFO [main.py:643]
{rank 0/100} MD step = 14300 step time: 00:00:00.018074 Performance: 97.756 ns/day 0.246 hours/ns 5.657 steps/s 2023-04-07 12:37:37,684 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 14300 2860 49.939 -36161 5473.4 -41635 -41635 -0.12181 0.18902 0.0058289 22880 2023-04-07 12:37:39,551 INFO [main.py:643]
{rank 0/100} MD step = 14400 step time: 00:00:00.018110 Performance: 97.551 ns/day 0.246 hours/ns 5.645 steps/s 2023-04-07 12:37:44,086 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 14400 2880 49.999 -36088 5480 -41568 -41568 -0.12275 0.19195 0.0055622 23060 2023-04-07 12:37:46,015 INFO [main.py:643]
{rank 0/100} MD step = 14500 step time: 00:00:00.018017 Performance: 97.980 ns/day 0.245 hours/ns 5.670 steps/s 2023-04-07 12:37:51,289 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 14500 2900 50.165 -36113 5498.2 -41611 -41611 -0.12376 0.1942 0.0059051 23197 2023-04-07 12:37:53,129 INFO [main.py:643]
{rank 0/100} MD step = 14600 step time: 00:00:00.017879 Performance: 98.382 ns/day 0.244 hours/ns 5.693 steps/s 2023-04-07 12:38:10,027 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 14600 2920 50.435 -36150 5527.7 -41678 -41678 -0.12445 0.19586 0.0070099 23335 2023-04-07 12:38:12,033 INFO [main.py:643]
{rank 0/100} MD step = 14700 step time: 00:00:00.017978 Performance: 98.331 ns/day 0.244 hours/ns 5.690 steps/s 2023-04-07 12:38:29,187 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 14700 2940 50.248 -36030 5507.2 -41537 -41537 -0.12542 0.19611 0.0090481 23530 2023-04-07 12:38:31,125 INFO [main.py:643]
{rank 0/100} MD step = 14800 step time: 00:00:00.018154 Performance: 98.273 ns/day 0.244 hours/ns 5.687 steps/s 2023-04-07 12:38:35,887 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 14800 2960 50.275 -35984 5510.2 -41494 -41494 -0.12622 0.19792 0.010434 23677 2023-04-07 12:38:37,751 INFO [main.py:643]
{rank 0/100} MD step = 14900 step time: 00:00:00.018533 Performance: 98.686 ns/day 0.243 hours/ns 5.711 steps/s 2023-04-07 12:38:46,317 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 14900 2980 49.438 -36225 5418.5 -41643 -41643 -0.12793 0.19814 0.0096339 23798 2023-04-07 12:38:48,616 INFO [main.py:643]
{rank 0/100} MD step = 15000 step time: 00:00:00.018114 Performance: 98.936 ns/day 0.243 hours/ns 5.725 steps/s 2023-04-07 12:38:57,090 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 15000 3000 49.688 -36029 5445.9 -41474 -41474 -0.12797 0.20066 0.0087433 23982 2023-04-07 12:38:58,971 INFO [main.py:643]
{rank 0/100} MD step = 15100 step time: 00:00:00.018018 Performance: 99.204 ns/day 0.242 hours/ns 5.741 steps/s 2023-04-07 12:39:12,137 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 15100 3020 50.557 -36035 5541.1 -41576 -41576 -0.12851 0.20165 0.0091815 24110 2023-04-07 12:39:13,964 INFO [main.py:643]
{rank 0/100} MD step = 15200 step time: 00:00:00.018102 Performance: 99.295 ns/day 0.242 hours/ns 5.746 steps/s 2023-04-07 12:39:26,910 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 15200 3040 49.771 -36196 5455 -41651 -41651 -0.12732 0.20274 0.010324 24266 2023-04-07 12:39:28,876 INFO [main.py:643]
{rank 0/100} MD step = 15300 step time: 00:00:00.018128 Performance: 99.388 ns/day 0.241 hours/ns 5.752 steps/s 2023-04-07 12:39:41,945 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 15300 3060 50.458 -36036 5530.2 -41566 -41566 -0.12861 0.20386 0.010427 24424 2023-04-07 12:39:48,072 INFO [main.py:643]
{rank 0/100} MD step = 15400 step time: 00:00:00.018041 Performance: 99.321 ns/day 0.242 hours/ns 5.748 steps/s 2023-04-07 12:39:49,089 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 15400 3080 50.671 -36149 5553.7 -41702 -41702 -0.12808 0.20712 0.011801 24573 2023-04-07 12:39:51,008 INFO [main.py:643]
{rank 0/100} MD step = 15500 step time: 00:00:00.017986 Performance: 99.856 ns/day 0.240 hours/ns 5.779 steps/s 2023-04-07 12:39:55,912 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 15500 3100 50.194 -36122 5501.4 -41624 -41624 -0.13003 0.20839 0.012886 24733 2023-04-07 12:39:57,750 INFO [main.py:643]
{rank 0/100} MD step = 15600 step time: 00:00:00.017958 Performance: 100.248 ns/day 0.239 hours/ns 5.801 steps/s 2023-04-07 12:40:27,152 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 15600 3120 49.813 -36154 5459.5 -41614 -41614 -0.13071 0.20995 0.013944 24914 2023-04-07 12:40:29,178 INFO [main.py:643]
{rank 0/100} MD step = 15700 step time: 00:00:00.019902 Performance: 99.725 ns/day 0.241 hours/ns 5.771 steps/s 2023-04-07 12:40:59,627 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 15700 3140 48.62 -36163 5328.8 -41492 -41492 -0.13262 0.21281 0.013815 25085 2023-04-07 12:41:01,541 INFO [main.py:643]
{rank 0/100} MD step = 15800 step time: 00:00:00.018392 Performance: 99.181 ns/day 0.242 hours/ns 5.740 steps/s 2023-04-07 12:41:10,861 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 15800 3160 50.001 -36155 5480.2 -41635 -41635 -0.13431 0.21369 0.014848 25218 2023-04-07 12:41:16,129 INFO [main.py:643]
{rank 0/100} MD step = 15900 step time: 00:00:00.018071 Performance: 99.282 ns/day 0.242 hours/ns 5.746 steps/s 2023-04-07 12:41:21,245 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 15900 3180 50.717 -36064 5558.7 -41623 -41623 -0.13507 0.21498 0.014548 25384 2023-04-07 12:41:23,065 INFO [main.py:643]
{rank 0/100} MD step = 16000 step time: 00:00:00.018153 Performance: 99.657 ns/day 0.241 hours/ns 5.767 steps/s 2023-04-07 12:41:32,760 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 16000 3200 49.849 -36061 5463.5 -41524 -41524 -0.13812 0.21635 0.013944 25548 2023-04-07 12:41:34,733 INFO [main.py:643]
{rank 0/100} MD step = 16100 step time: 00:00:00.017884 Performance: 99.860 ns/day 0.240 hours/ns 5.779 steps/s 2023-04-07 12:41:43,389 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 16100 3220 49.555 -36095 5431.3 -41526 -41526 -0.13795 0.21863 0.014744 25685 2023-04-07 12:41:45,291 INFO [main.py:643]
{rank 0/100} MD step = 16200 step time: 00:00:00.017978 Performance: 100.101 ns/day 0.240 hours/ns 5.793 steps/s 2023-04-07 12:41:48,772 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 16200 3240 49.931 -36141 5472.5 -41613 -41613 -0.13984 0.21982 0.013963 25833 2023-04-07 12:41:50,679 INFO [main.py:643]
{rank 0/100} MD step = 16300 step time: 00:00:00.017879 Performance: 100.525 ns/day 0.239 hours/ns 5.817 steps/s 2023-04-07 12:42:03,997 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 16300 3260 49.618 -36156 5438.2 -41594 -41594 -0.14127 0.22184 0.013925 25990 2023-04-07 12:42:09,819 INFO [main.py:643]
{rank 0/100} MD step = 16400 step time: 00:00:00.018912 Performance: 100.455 ns/day 0.239 hours/ns 5.813 steps/s 2023-04-07 12:42:10,869 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 16400 3280 49.782 -36068 5456.2 -41525 -41525 -0.13968 0.22291 0.011448 26170 2023-04-07 12:42:12,755 INFO [main.py:643]
{rank 0/100} MD step = 16500 step time: 00:00:00.017948 Performance: 100.963 ns/day 0.238 hours/ns 5.843 steps/s 2023-04-07 12:42:17,183 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 16500 3300 50.382 -36054 5521.9 -41576 -41576 -0.14009 0.22566 0.011848 26353 2023-04-07 12:42:19,061 INFO [main.py:643]
{rank 0/100} MD step = 16600 step time: 00:00:00.017901 Performance: 101.348 ns/day 0.237 hours/ns 5.865 steps/s 2023-04-07 12:42:31,849 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 16600 3320 50.264 -36026 5509 -41535 -41535 -0.1406 0.22687 0.012439 26516 2023-04-07 12:42:33,686 INFO [main.py:643]
{rank 0/100} MD step = 16700 step time: 00:00:00.018063 Performance: 101.435 ns/day 0.237 hours/ns 5.870 steps/s 2023-04-07 12:42:42,488 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 16700 3340 50.053 -35988 5485.9 -41474 -41474 -0.14338 0.2281 0.01382 26723 2023-04-07 12:42:44,374 INFO [main.py:643]
{rank 0/100} MD step = 16800 step time: 00:00:00.018177 Performance: 101.660 ns/day 0.236 hours/ns 5.883 steps/s 2023-04-07 12:42:45,449 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 16800 3360 50.137 -36133 5495.1 -41628 -41628 -0.14542 0.23007 0.013906 26804 2023-04-07 12:42:47,290 INFO [main.py:643]
{rank 0/100} MD step = 16900 step time: 00:00:00.018005 Performance: 102.161 ns/day 0.235 hours/ns 5.912 steps/s 2023-04-07 12:42:55,662 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 16900 3380 48.974 -36221 5367.6 -41588 -41588 -0.14443 0.23022 0.014153 26988 2023-04-07 12:42:57,549 INFO [main.py:643]
{rank 0/100} MD step = 17000 step time: 00:00:00.018267 Performance: 102.398 ns/day 0.234 hours/ns 5.926 steps/s 2023-04-07 12:43:02,415 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 17000 3400 49.471 -36192 5422 -41614 -41614 -0.14497 0.23087 0.015434 27134 2023-04-07 12:43:04,305 INFO [main.py:643]
{rank 0/100} MD step = 17100 step time: 00:00:00.018033 Performance: 102.758 ns/day 0.234 hours/ns 5.947 steps/s 2023-04-07 12:43:25,511 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 17100 3420 50.38 -36030 5521.8 -41551 -41551 -0.14466 0.2323 0.017063 27284 2023-04-07 12:43:27,375 INFO [main.py:643]
{rank 0/100} MD step = 17200 step time: 00:00:00.017992 Performance: 102.537 ns/day 0.234 hours/ns 5.934 steps/s 2023-04-07 12:43:36,429 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 17200 3440 50.565 -36060 5541.9 -41602 -41602 -0.14497 0.23394 0.016368 27454 2023-04-07 12:43:38,358 INFO [main.py:643]
{rank 0/100} MD step = 17300 step time: 00:00:00.017799 Performance: 102.743 ns/day 0.234 hours/ns 5.946 steps/s 2023-04-07 12:43:47,445 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 17300 3460 50.106 -36139 5491.7 -41630 -41630 -0.14662 0.23525 0.015363 27592 2023-04-07 12:43:49,344 INFO [main.py:643]
{rank 0/100} MD step = 17400 step time: 00:00:00.018361 Performance: 102.949 ns/day 0.233 hours/ns 5.958 steps/s 2023-04-07 12:44:06,562 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 17400 3480 50.714 -35947 5558.3 -41505 -41505 -0.14755 0.23758 0.014915 27776 2023-04-07 12:44:08,540 INFO [main.py:643]
{rank 0/100} MD step = 17500 step time: 00:00:00.018140 Performance: 102.864 ns/day 0.233 hours/ns 5.953 steps/s 2023-04-07 12:44:25,618 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 17500 3500 50.25 -36049 5507.5 -41557 -41557 -0.15189 0.23836 0.016229 27914 2023-04-07 12:44:27,461 INFO [main.py:643]
{rank 0/100} MD step = 17600 step time: 00:00:00.018014 Performance: 102.790 ns/day 0.233 hours/ns 5.949 steps/s 2023-04-07 12:44:36,174 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 17600 3520 49.413 -36155 5415.7 -41570 -41570 -0.15221 0.23938 0.015296 28051 2023-04-07 12:44:38,155 INFO [main.py:643]
{rank 0/100} MD step = 17700 step time: 00:00:00.017950 Performance: 103.002 ns/day 0.233 hours/ns 5.961 steps/s 2023-04-07 12:44:49,658 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 17700 3540 49.535 -36149 5429.1 -41578 -41578 -0.15196 0.24068 0.015046 28229 2023-04-07 12:44:51,637 INFO [main.py:643]
{rank 0/100} MD step = 17800 step time: 00:00:00.018036 Performance: 103.116 ns/day 0.233 hours/ns 5.967 steps/s 2023-04-07 12:45:04,373 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 17800 3560 50.499 -35922 5534.7 -41457 -41457 -0.15153 0.24229 0.014972 28389 2023-04-07 12:45:06,291 INFO [main.py:643]
{rank 0/100} MD step = 17900 step time: 00:00:00.018119 Performance: 103.188 ns/day 0.233 hours/ns 5.972 steps/s 2023-04-07 12:45:07,455 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 17900 3580 49.518 -36210 5427.2 -41637 -41637 -0.15149 0.24314 0.015744 28499 2023-04-07 12:45:09,294 INFO [main.py:643]
{rank 0/100} MD step = 18000 step time: 00:00:00.018197 Performance: 103.661 ns/day 0.232 hours/ns 5.999 steps/s 2023-04-07 12:45:21,665 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 18000 3600 49.19 -36161 5391.3 -41552 -41552 -0.15209 0.24508 0.014382 28667 2023-04-07 12:45:23,551 INFO [main.py:643]
{rank 0/100} MD step = 18100 step time: 00:00:00.018085 Performance: 103.744 ns/day 0.231 hours/ns 6.004 steps/s 2023-04-07 12:45:36,417 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 18100 3620 49.886 -36078 5467.5 -41545 -41545 -0.15138 0.24651 0.014687 28842 2023-04-07 12:45:38,365 INFO [main.py:643]
{rank 0/100} MD step = 18200 step time: 00:00:00.017997 Performance: 103.807 ns/day 0.231 hours/ns 6.007 steps/s 2023-04-07 12:45:51,635 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 18200 3640 49.499 -36193 5425.1 -41618 -41618 -0.15131 0.2496 0.013906 28985 2023-04-07 12:45:53,533 INFO [main.py:643]
{rank 0/100} MD step = 18300 step time: 00:00:00.017956 Performance: 103.857 ns/day 0.231 hours/ns 6.010 steps/s 2023-04-07 12:46:02,594 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 18300 3660 50.494 -35911 5534.2 -41445 -41445 -0.15542 0.2511 0.013782 29161 2023-04-07 12:46:04,459 INFO [main.py:643]
{rank 0/100} MD step = 18400 step time: 00:00:00.018100 Performance: 104.051 ns/day 0.231 hours/ns 6.021 steps/s 2023-04-07 12:46:17,300 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 18400 3680 49.993 -36257 5479.3 -41736 -41736 -0.15679 0.25393 0.015258 29264 2023-04-07 12:46:23,303 INFO [main.py:643]
{rank 0/100} MD step = 18500 step time: 00:00:00.017917 Performance: 103.976 ns/day 0.231 hours/ns 6.017 steps/s 2023-04-07 12:46:30,340 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 18500 3700 50.342 -36042 5517.5 -41560 -41560 -0.15676 0.25457 0.015429 29470 2023-04-07 12:46:32,156 INFO [main.py:643]
{rank 0/100} MD step = 18600 step time: 00:00:00.018111 Performance: 104.238 ns/day 0.230 hours/ns 6.032 steps/s 2023-04-07 12:46:45,471 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 18600 3720 50.024 -36038 5482.7 -41521 -41521 -0.15709 0.25611 0.016001 29614 2023-04-07 12:46:47,338 INFO [main.py:643]
{rank 0/100} MD step = 18700 step time: 00:00:00.017995 Performance: 104.285 ns/day 0.230 hours/ns 6.035 steps/s 2023-04-07 12:47:04,922 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 18700 3740 49.609 -36210 5437.2 -41647 -41647 -0.15734 0.25822 0.016668 29778 2023-04-07 12:47:06,760 INFO [main.py:643]
{rank 0/100} MD step = 18800 step time: 00:00:00.017881 Performance: 104.189 ns/day 0.230 hours/ns 6.029 steps/s 2023-04-07 12:47:11,394 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 18800 3760 50.412 -35917 5525.2 -41443 -41443 -0.15666 0.2588 0.016306 29946 2023-04-07 12:47:13,248 INFO [main.py:643]
{rank 0/100} MD step = 18900 step time: 00:00:00.018032 Performance: 104.526 ns/day 0.230 hours/ns 6.049 steps/s 2023-04-07 12:47:26,718 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 18900 3780 49.733 -36059 5450.8 -41510 -41510 -0.15649 0.26148 0.016782 30087 2023-04-07 12:47:28,661 INFO [main.py:643]
{rank 0/100} MD step = 19000 step time: 00:00:00.017941 Performance: 104.563 ns/day 0.230 hours/ns 6.051 steps/s 2023-04-07 12:47:41,057 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 19000 3800 50.04 -36051 5484.4 -41535 -41535 -0.15534 0.26184 0.016432 30244 2023-04-07 12:47:42,875 INFO [main.py:643]
{rank 0/100} MD step = 19100 step time: 00:00:00.019900 Performance: 104.640 ns/day 0.229 hours/ns 6.056 steps/s 2023-04-07 12:48:00,564 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 19100 3820 49.051 -36271 5376 -41647 -41647 -0.15599 0.26249 0.017791 30375 2023-04-07 12:48:02,380 INFO [main.py:643]
{rank 0/100} MD step = 19200 step time: 00:00:00.018103 Performance: 104.541 ns/day 0.230 hours/ns 6.050 steps/s 2023-04-07 12:48:24,332 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 19200 3840 49.969 -36115 5476.7 -41591 -41591 -0.15738 0.26369 0.017896 30561 2023-04-07 12:48:26,301 INFO [main.py:643]
{rank 0/100} MD step = 19300 step time: 00:00:00.018647 Performance: 104.299 ns/day 0.230 hours/ns 6.036 steps/s 2023-04-07 12:48:34,200 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 19300 3860 50.09 -35943 5489.9 -41433 -41433 -0.15588 0.26437 0.018058 30718 2023-04-07 12:48:36,334 INFO [main.py:643]
{rank 0/100} MD step = 19400 step time: 00:00:00.017923 Performance: 104.512 ns/day 0.230 hours/ns 6.048 steps/s 2023-04-07 12:48:54,185 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 19400 3880 49.755 -36127 5453.3 -41580 -41580 -0.15568 0.2668 0.020363 30877 2023-04-07 12:48:56,122 INFO [main.py:643]
{rank 0/100} MD step = 19500 step time: 00:00:00.018012 Performance: 104.407 ns/day 0.230 hours/ns 6.042 steps/s 2023-04-07 12:49:22,031 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 19500 3900 51.367 -35898 5629.9 -41528 -41528 -0.15723 0.26767 0.020363 31039 2023-04-07 12:49:23,901 INFO [main.py:643]
{rank 0/100} MD step = 19600 step time: 00:00:00.017933 Performance: 104.046 ns/day 0.231 hours/ns 6.021 steps/s 2023-04-07 12:49:45,441 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 19600 3920 49.748 -36026 5452.4 -41478 -41478 -0.15948 0.26928 0.020854 31206 2023-04-07 12:49:47,294 INFO [main.py:643]
{rank 0/100} MD step = 19700 step time: 00:00:00.018052 Performance: 103.831 ns/day 0.231 hours/ns 6.009 steps/s 2023-04-07 12:49:54,733 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 19700 3940 50.764 -35998 5563.8 -41562 -41562 -0.16159 0.27054 0.021001 31320 2023-04-07 12:49:56,627 INFO [main.py:643]
{rank 0/100} MD step = 19800 step time: 00:00:00.017782 Performance: 104.062 ns/day 0.231 hours/ns 6.022 steps/s 2023-04-07 12:50:13,323 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 19800 3960 50.353 -36068 5518.8 -41586 -41586 -0.16172 0.27194 0.019025 31484 2023-04-07 12:50:15,224 INFO [main.py:643]
{rank 0/100} MD step = 19900 step time: 00:00:00.017931 Performance: 103.999 ns/day 0.231 hours/ns 6.018 steps/s 2023-04-07 12:50:45,761 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 19900 3980 49.9 -36076 5469.1 -41545 -41545 -0.16329 0.27487 0.019134 31646 2023-04-07 12:50:47,603 INFO [main.py:643]
{rank 0/100} MD step = 20000 step time: 00:00:00.018038 Performance: 103.508 ns/day 0.232 hours/ns 5.990 steps/s 2023-04-07 12:51:22,521 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 20000 4000 49.434 -35994 5418.1 -41413 -41413 -0.16641 0.27772 0.020382 31835 2023-04-07 12:51:28,014 INFO [main.py:643]
{rank 0/100} MD step = 20100 step time: 00:00:00.018034 Performance: 102.782 ns/day 0.234 hours/ns 5.948 steps/s 2023-04-07 12:51:39,435 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 20100 4020 49.67 -36051 5443.9 -41495 -41495 -0.1667 0.27874 0.021296 31979 2023-04-07 12:51:45,364 INFO [main.py:643]
{rank 0/100} MD step = 20200 step time: 00:00:00.018103 Performance: 102.766 ns/day 0.234 hours/ns 5.947 steps/s 2023-04-07 12:52:03,195 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 20200 4040 49.966 -36128 5476.3 -41605 -41605 -0.16929 0.28063 0.020735 32119 2023-04-07 12:52:05,013 INFO [main.py:643]
{rank 0/100} MD step = 20300 step time: 00:00:00.018198 Performance: 102.680 ns/day 0.234 hours/ns 5.942 steps/s 2023-04-07 12:52:18,641 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 20300 4060 50.443 -36001 5528.6 -41530 -41530 -0.16958 0.28187 0.022039 32317 2023-04-07 12:52:20,453 INFO [main.py:643]
{rank 0/100} MD step = 20400 step time: 00:00:00.018127 Performance: 102.722 ns/day 0.234 hours/ns 5.945 steps/s 2023-04-07 12:52:37,152 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 20400 4080 50.079 -36047 5488.7 -41536 -41536 -0.16889 0.28339 0.023516 32462 2023-04-07 12:52:39,149 INFO [main.py:643]
{rank 0/100} MD step = 20500 step time: 00:00:00.018130 Performance: 102.666 ns/day 0.234 hours/ns 5.941 steps/s 2023-04-07 12:52:54,669 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 20500 4100 49.804 -36135 5458.5 -41594 -41594 -0.17178 0.28364 0.023582 32635 2023-04-07 12:52:56,537 INFO [main.py:643]
{rank 0/100} MD step = 20600 step time: 00:00:00.017987 Performance: 102.650 ns/day 0.234 hours/ns 5.940 steps/s 2023-04-07 12:53:14,237 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 20600 4120 50.818 -35924 5569.7 -41494 -41494 -0.17492 0.285 0.025192 32815 2023-04-07 12:53:16,095 INFO [main.py:643]
{rank 0/100} MD step = 20700 step time: 00:00:00.018078 Performance: 102.569 ns/day 0.234 hours/ns 5.936 steps/s 2023-04-07 12:53:33,186 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 20700 4140 50.074 -36073 5488.2 -41561 -41561 -0.17486 0.28586 0.027349 32968 2023-04-07 12:53:35,149 INFO [main.py:643]
{rank 0/100} MD step = 20800 step time: 00:00:00.018053 Performance: 102.505 ns/day 0.234 hours/ns 5.932 steps/s 2023-04-07 12:53:52,776 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 20800 4160 50.601 -35963 5545.9 -41509 -41509 -0.17519 0.28691 0.028173 33125 2023-04-07 12:53:54,618 INFO [main.py:643]
{rank 0/100} MD step = 20900 step time: 00:00:00.017937 Performance: 102.429 ns/day 0.234 hours/ns 5.928 steps/s 2023-04-07 12:54:07,477 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 20900 4180 49.662 -36028 5443 -41471 -41471 -0.1755 0.28889 0.027221 33291 2023-04-07 12:54:09,409 INFO [main.py:643]
{rank 0/100} MD step = 21000 step time: 00:00:00.017986 Performance: 102.489 ns/day 0.234 hours/ns 5.931 steps/s 2023-04-07 12:54:18,436 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 21000 4200 50.353 -36102 5518.7 -41620 -41620 -0.17659 0.28984 0.028764 33429 2023-04-07 12:54:20,252 INFO [main.py:643]
{rank 0/100} MD step = 21100 step time: 00:00:00.017968 Performance: 102.663 ns/day 0.234 hours/ns 5.941 steps/s 2023-04-07 12:54:29,156 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 21100 4220 50.003 -36080 5480.4 -41561 -41561 -0.17757 0.29265 0.029487 33611 2023-04-07 12:54:31,006 INFO [main.py:643]
{rank 0/100} MD step = 21200 step time: 00:00:00.018262 Performance: 102.838 ns/day 0.233 hours/ns 5.951 steps/s 2023-04-07 12:54:40,157 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 21200 4240 49.678 -36128 5444.8 -41573 -41573 -0.17768 0.29372 0.029802 33738 2023-04-07 12:54:41,992 INFO [main.py:643]
{rank 0/100} MD step = 21300 step time: 00:00:00.017938 Performance: 103.005 ns/day 0.233 hours/ns 5.961 steps/s 2023-04-07 12:54:50,495 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 21300 4260 50.035 -36008 5483.9 -41492 -41492 -0.18044 0.29537 0.029364 33902 2023-04-07 12:54:52,421 INFO [main.py:643]
{rank 0/100} MD step = 21400 step time: 00:00:00.017927 Performance: 103.188 ns/day 0.233 hours/ns 5.972 steps/s 2023-04-07 12:54:57,478 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 21400 4280 50.497 -36034 5534.5 -41568 -41568 -0.18141 0.29651 0.030926 34056 2023-04-07 12:54:59,358 INFO [main.py:643]
{rank 0/100} MD step = 21500 step time: 00:00:00.018025 Performance: 103.470 ns/day 0.232 hours/ns 5.988 steps/s 2023-04-07 12:55:03,207 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 21500 4300 49.36 -36029 5409.9 -41439 -41439 -0.18412 0.2979 0.031621 34214 2023-04-07 12:55:05,003 INFO [main.py:643]
{rank 0/100} MD step = 21600 step time: 00:00:00.017986 Performance: 103.788 ns/day 0.231 hours/ns 6.006 steps/s 2023-04-07 12:55:14,056 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 21600 4320 49.999 -36196 5479.9 -41676 -41676 -0.18519 0.29941 0.031087 34348 2023-04-07 12:55:16,011 INFO [main.py:643]
{rank 0/100} MD step = 21700 step time: 00:00:00.018190 Performance: 103.950 ns/day 0.231 hours/ns 6.016 steps/s 2023-04-07 12:55:20,595 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 21700 4340 50.478 -36012 5532.4 -41544 -41544 -0.18521 0.29882 0.032669 34522 2023-04-07 12:55:22,588 INFO [main.py:643]
{rank 0/100} MD step = 21800 step time: 00:00:00.017908 Performance: 104.239 ns/day 0.230 hours/ns 6.032 steps/s 2023-04-07 12:55:32,350 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 21800 4360 49.685 -36071 5445.5 -41516 -41516 -0.18635 0.3004 0.032649 34686 2023-04-07 12:55:34,217 INFO [main.py:643]
{rank 0/100} MD step = 21900 step time: 00:00:00.018062 Performance: 104.381 ns/day 0.230 hours/ns 6.041 steps/s 2023-04-07 12:55:46,436 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 21900 4380 50.078 -36010 5488.6 -41499 -41499 -0.18721 0.30021 0.03333 34848 2023-04-07 12:55:52,607 INFO [main.py:643]
{rank 0/100} MD step = 22000 step time: 00:00:00.018031 Performance: 104.329 ns/day 0.230 hours/ns 6.038 steps/s 2023-04-07 12:55:57,257 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 22000 4400 49.812 -36089 5459.5 -41548 -41548 -0.18927 0.30379 0.033364 35000 2023-04-07 12:55:59,179 INFO [main.py:643]
{rank 0/100} MD step = 22100 step time: 00:00:00.018121 Performance: 104.614 ns/day 0.229 hours/ns 6.054 steps/s 2023-04-07 12:56:03,617 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 22100 4420 50.041 -36181 5484.5 -41665 -41665 -0.1911 0.30459 0.032478 35112 2023-04-07 12:56:05,763 INFO [main.py:643]
{rank 0/100} MD step = 22200 step time: 00:00:00.059026 Performance: 104.898 ns/day 0.229 hours/ns 6.071 steps/s 2023-04-07 12:56:35,778 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 22200 4440 49.864 -36016 5465.1 -41481 -41481 -0.19577 0.30602 0.031126 35306 2023-04-07 12:56:37,759 INFO [main.py:643]
{rank 0/100} MD step = 22300 step time: 00:00:00.017984 Performance: 104.457 ns/day 0.230 hours/ns 6.045 steps/s 2023-04-07 12:56:39,280 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 22300 4460 49.824 -36094 5460.7 -41555 -41555 -0.19582 0.30813 0.031626 35451 2023-04-07 12:56:41,136 INFO [main.py:643]
{rank 0/100} MD step = 22400 step time: 00:00:00.018003 Performance: 104.829 ns/day 0.229 hours/ns 6.067 steps/s 2023-04-07 12:56:42,195 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 22400 4480 50.594 -36099 5545.2 -41644 -41644 -0.19818 0.31034 0.032459 35587 2023-04-07 12:56:44,085 INFO [main.py:643]
{rank 0/100} MD step = 22500 step time: 00:00:00.018038 Performance: 105.213 ns/day 0.228 hours/ns 6.089 steps/s 2023-04-07 12:57:01,953 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 22500 4500 49.83 -36104 5461.5 -41565 -41565 -0.20108 0.3102 0.031468 35775 2023-04-07 12:57:03,811 INFO [main.py:643]
{rank 0/100} MD step = 22600 step time: 00:00:00.017972 Performance: 105.120 ns/day 0.228 hours/ns 6.083 steps/s 2023-04-07 12:57:08,967 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 22600 4520 50.468 -36016 5531.3 -41547 -41547 -0.20127 0.31167 0.031978 35914 2023-04-07 12:57:10,797 INFO [main.py:643]
{rank 0/100} MD step = 22700 step time: 00:00:00.018137 Performance: 105.387 ns/day 0.228 hours/ns 6.099 steps/s 2023-04-07 12:57:31,414 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 22700 4540 49.999 -36144 5479.9 -41624 -41624 -0.20349 0.31217 0.031087 36067 2023-04-07 12:57:33,711 INFO [main.py:643]
{rank 0/100} MD step = 22800 step time: 00:00:00.017951 Performance: 105.203 ns/day 0.228 hours/ns 6.088 steps/s 2023-04-07 12:57:42,725 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 22800 4560 49.76 -36029 5453.7 -41483 -41483 -0.20454 0.31425 0.030468 36225 2023-04-07 12:57:44,656 INFO [main.py:643]
{rank 0/100} MD step = 22900 step time: 00:00:00.017935 Performance: 105.357 ns/day 0.228 hours/ns 6.097 steps/s 2023-04-07 12:57:45,733 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 22900 4580 49.869 -36077 5465.7 -41543 -41543 -0.2046 0.31639 0.029602 36356 2023-04-07 12:57:47,580 INFO [main.py:643]
{rank 0/100} MD step = 23000 step time: 00:00:00.018079 Performance: 105.735 ns/day 0.227 hours/ns 6.119 steps/s 2023-04-07 12:57:55,107 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 23000 4600 50.328 -36128 5516 -41644 -41644 -0.20435 0.31953 0.028659 36517 2023-04-07 12:57:57,027 INFO [main.py:643]
{rank 0/100} MD step = 23100 step time: 00:00:00.018083 Performance: 105.928 ns/day 0.227 hours/ns 6.130 steps/s 2023-04-07 12:58:14,419 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 23100 4620 49.42 -36140 5416.5 -41556 -41556 -0.20387 0.32136 0.029183 36676 2023-04-07 12:58:20,497 INFO [main.py:643]
{rank 0/100} MD step = 23200 step time: 00:00:00.018078 Performance: 105.728 ns/day 0.227 hours/ns 6.119 steps/s 2023-04-07 12:58:25,526 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 23200 4640 50.225 -36005 5504.7 -41510 -41510 -0.20191 0.32432 0.028316 36835 2023-04-07 12:58:27,442 INFO [main.py:643]
{rank 0/100} MD step = 23300 step time: 00:00:00.018025 Performance: 105.990 ns/day 0.226 hours/ns 6.134 steps/s 2023-04-07 12:58:40,293 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 23300 4660 50.66 -36028 5552.4 -41581 -41581 -0.20251 0.32615 0.028383 36977 2023-04-07 12:58:42,162 INFO [main.py:643]
{rank 0/100} MD step = 23400 step time: 00:00:00.018016 Performance: 106.034 ns/day 0.226 hours/ns 6.136 steps/s 2023-04-07 12:58:59,565 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 23400 4680 50.392 -36107 5523.1 -41630 -41630 -0.20276 0.32739 0.028068 37136 2023-04-07 12:59:01,476 INFO [main.py:643]
{rank 0/100} MD step = 23500 step time: 00:00:00.018052 Performance: 105.950 ns/day 0.227 hours/ns 6.131 steps/s 2023-04-07 12:59:14,820 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 23500 4700 49.734 -36106 5451 -41557 -41557 -0.20244 0.32763 0.028825 37294 2023-04-07 12:59:16,732 INFO [main.py:643]
{rank 0/100} MD step = 23600 step time: 00:00:00.018127 Performance: 105.979 ns/day 0.226 hours/ns 6.133 steps/s 2023-04-07 12:59:29,726 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 23600 4720 50.225 -35970 5504.7 -41475 -41475 -0.20297 0.32817 0.027563 37474 2023-04-07 12:59:31,581 INFO [main.py:643]
{rank 0/100} MD step = 23700 step time: 00:00:00.017827 Performance: 106.019 ns/day 0.226 hours/ns 6.135 steps/s 2023-04-07 12:59:44,999 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 23700 4740 50.322 -36065 5515.4 -41580 -41580 -0.20218 0.32983 0.027449 37619 2023-04-07 12:59:46,832 INFO [main.py:643]
{rank 0/100} MD step = 23800 step time: 00:00:00.018088 Performance: 106.048 ns/day 0.226 hours/ns 6.137 steps/s 2023-04-07 12:59:55,972 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 23800 4760 50.178 -36075 5499.6 -41574 -41574 -0.20291 0.33072 0.027106 37774 2023-04-07 12:59:57,910 INFO [main.py:643]
{rank 0/100} MD step = 23900 step time: 00:00:00.020992 Performance: 106.190 ns/day 0.226 hours/ns 6.145 steps/s 2023-04-07 13:00:06,867 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 23900 4780 49.823 -36058 5460.6 -41519 -41519 -0.20234 0.33229 0.025849 37937 2023-04-07 13:00:12,129 INFO [main.py:643]
{rank 0/100} MD step = 24000 step time: 00:00:00.017936 Performance: 106.246 ns/day 0.226 hours/ns 6.148 steps/s 2023-04-07 13:00:34,276 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 24000 4800 50.275 -36075 5510.2 -41585 -41585 -0.2039 0.33364 0.027259 38109 2023-04-07 13:00:36,229 INFO [main.py:643]
{rank 0/100} MD step = 24100 step time: 00:00:00.018041 Performance: 106.034 ns/day 0.226 hours/ns 6.136 steps/s 2023-04-07 13:00:49,170 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 24100 4820 49.403 -36105 5414.7 -41520 -41520 -0.20287 0.33425 0.026782 38261 2023-04-07 13:00:51,040 INFO [main.py:643]
{rank 0/100} MD step = 24200 step time: 00:00:00.017985 Performance: 106.074 ns/day 0.226 hours/ns 6.139 steps/s 2023-04-07 13:00:52,241 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 24200 4840 49.892 -36074 5468.2 -41542 -41542 -0.204 0.33614 0.026344 38413 2023-04-07 13:00:57,264 INFO [main.py:643]
{rank 0/100} MD step = 24300 step time: 00:00:00.018095 Performance: 106.344 ns/day 0.226 hours/ns 6.154 steps/s 2023-04-07 13:01:04,237 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 24300 4860 50.256 -35984 5508.1 -41492 -41492 -0.20378 0.33835 0.026592 38574 2023-04-07 13:01:06,286 INFO [main.py:643]
{rank 0/100} MD step = 24400 step time: 00:00:00.020677 Performance: 106.539 ns/day 0.225 hours/ns 6.165 steps/s 2023-04-07 13:01:23,439 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 24400 4880 50.19 -36049 5500.9 -41550 -41550 -0.20454 0.33699 0.025759 38692 2023-04-07 13:01:25,384 INFO [main.py:643]
{rank 0/100} MD step = 24500 step time: 00:00:00.018043 Performance: 106.462 ns/day 0.225 hours/ns 6.161 steps/s 2023-04-07 13:01:34,371 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 24500 4900 50.079 -36066 5488.7 -41555 -41555 -0.20453 0.33852 0.024249 38844 2023-04-07 13:01:40,415 INFO [main.py:643]
{rank 0/100} MD step = 24600 step time: 00:00:00.018217 Performance: 106.494 ns/day 0.225 hours/ns 6.163 steps/s 2023-04-07 13:01:45,070 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 24600 4920 50.674 -35962 5553.9 -41516 -41516 -0.20653 0.3397 0.023497 38993 2023-04-07 13:01:50,901 INFO [main.py:643]
{rank 0/100} MD step = 24700 step time: 00:00:00.017865 Performance: 106.646 ns/day 0.225 hours/ns 6.172 steps/s 2023-04-07 13:02:10,697 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 24700 4940 50.952 -35944 5584.4 -41528 -41528 -0.20919 0.33984 0.024535 39145 2023-04-07 13:02:12,547 INFO [main.py:643]
{rank 0/100} MD step = 24800 step time: 00:00:00.017923 Performance: 106.502 ns/day 0.225 hours/ns 6.163 steps/s 2023-04-07 13:02:17,000 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 24800 4960 50.65 -36119 5551.3 -41670 -41670 -0.21135 0.34042 0.024916 39262 2023-04-07 13:02:18,977 INFO [main.py:643]
{rank 0/100} MD step = 24900 step time: 00:00:00.017961 Performance: 106.761 ns/day 0.225 hours/ns 6.178 steps/s 2023-04-07 13:02:32,511 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 24900 4980 49.8 -36196 5458.2 -41654 -41654 -0.21155 0.34162 0.024535 39420 2023-04-07 13:02:34,395 INFO [main.py:643]
{rank 0/100} MD step = 25000 step time: 00:00:00.018212 Performance: 106.781 ns/day 0.225 hours/ns 6.179 steps/s 2023-04-07 13:02:39,279 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 25000 5000 50.602 -35965 5546 -41511 -41511 -0.21075 0.34195 0.024325 39588 2023-04-07 13:02:41,112 INFO [main.py:643]
{rank 0/100} MD step = 25100 step time: 00:00:00.018051 Performance: 107.031 ns/day 0.224 hours/ns 6.194 steps/s 2023-04-07 13:03:02,445 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 25100 5020 50.92 -36095 5580.9 -41676 -41676 -0.21228 0.34246 0.02362 39734 2023-04-07 13:03:04,345 INFO [main.py:643]
{rank 0/100} MD step = 25200 step time: 00:00:00.018061 Performance: 106.844 ns/day 0.225 hours/ns 6.183 steps/s 2023-04-07 13:03:21,427 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 25200 5040 49.924 -36053 5471.8 -41524 -41524 -0.21367 0.34389 0.023306 39933 2023-04-07 13:03:23,234 INFO [main.py:643]
{rank 0/100} MD step = 25300 step time: 00:00:00.018265 Performance: 106.774 ns/day 0.225 hours/ns 6.179 steps/s 2023-04-07 13:03:26,782 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 25300 5060 50.559 -36046 5541.4 -41588 -41588 -0.21472 0.34583 0.022163 40082 2023-04-07 13:03:28,622 INFO [main.py:643]
{rank 0/100} MD step = 25400 step time: 00:00:00.017998 Performance: 107.055 ns/day 0.224 hours/ns 6.195 steps/s 2023-04-07 13:03:36,599 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 25400 5080 49.806 -36029 5458.8 -41488 -41488 -0.21729 0.34528 0.021716 40236 2023-04-07 13:03:38,432 INFO [main.py:643]
{rank 0/100} MD step = 25500 step time: 00:00:00.018161 Performance: 107.220 ns/day 0.224 hours/ns 6.205 steps/s 2023-04-07 13:03:47,502 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 25500 5100 50.534 -36020 5538.6 -41559 -41559 -0.21666 0.34676 0.022773 40400 2023-04-07 13:03:49,334 INFO [main.py:643]
{rank 0/100} MD step = 25600 step time: 00:00:00.017894 Performance: 107.355 ns/day 0.224 hours/ns 6.213 steps/s 2023-04-07 13:03:54,454 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 25600 5120 49.871 -36121 5466 -41587 -41587 -0.21971 0.34691 0.022663 40541 2023-04-07 13:03:56,337 INFO [main.py:643]
{rank 0/100} MD step = 25700 step time: 00:00:00.018168 Performance: 107.592 ns/day 0.223 hours/ns 6.226 steps/s 2023-04-07 13:04:17,366 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 25700 5140 50.126 -36182 5493.9 -41675 -41675 -0.2211 0.34983 0.023258 40693 2023-04-07 13:04:27,646 INFO [main.py:643]
{rank 0/100} MD step = 25800 step time: 00:00:00.018090 Performance: 107.197 ns/day 0.224 hours/ns 6.204 steps/s 2023-04-07 13:04:33,002 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 25800 5160 49.876 -36152 5466.4 -41618 -41618 -0.22136 0.35135 0.021411 40846 2023-04-07 13:04:34,928 INFO [main.py:643]
{rank 0/100} MD step = 25900 step time: 00:00:00.018153 Performance: 107.425 ns/day 0.223 hours/ns 6.217 steps/s 2023-04-07 13:04:38,893 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 25900 5180 50.211 -36027 5503.2 -41530 -41530 -0.22157 0.35304 0.021544 41034 2023-04-07 13:04:44,886 INFO [main.py:643]
{rank 0/100} MD step = 26000 step time: 00:00:00.017967 Performance: 107.582 ns/day 0.223 hours/ns 6.226 steps/s 2023-04-07 13:04:50,410 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 26000 5200 50.417 -35991 5525.7 -41516 -41516 -0.22296 0.35469 0.020106 41189 2023-04-07 13:04:52,324 INFO [main.py:643]
{rank 0/100} MD step = 26100 step time: 00:00:00.018010 Performance: 107.804 ns/day 0.223 hours/ns 6.239 steps/s 2023-04-07 13:04:53,631 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 26100 5220 49.95 -36105 5474.6 -41580 -41580 -0.22302 0.35682 0.020115 41320 2023-04-07 13:04:55,547 INFO [main.py:643]
{rank 0/100} MD step = 26200 step time: 00:00:00.018185 Performance: 108.134 ns/day 0.222 hours/ns 6.258 steps/s 2023-04-07 13:05:26,235 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 26200 5240 49.228 -36254 5395.4 -41649 -41649 -0.22424 0.35708 0.020763 41474 2023-04-07 13:05:28,147 INFO [main.py:643]
{rank 0/100} MD step = 26300 step time: 00:00:00.018122 Performance: 107.708 ns/day 0.223 hours/ns 6.233 steps/s 2023-04-07 13:05:36,927 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 26300 5260 49.478 -36195 5422.8 -41618 -41618 -0.22723 0.3563 0.020344 41608 2023-04-07 13:05:38,824 INFO [main.py:643]
{rank 0/100} MD step = 26400 step time: 00:00:00.017968 Performance: 107.844 ns/day 0.223 hours/ns 6.241 steps/s 2023-04-07 13:05:47,982 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 26400 5280 49.053 -36218 5376.2 -41594 -41594 -0.2291 0.35726 0.021663 41780 2023-04-07 13:05:49,934 INFO [main.py:643]
{rank 0/100} MD step = 26500 step time: 00:00:00.018083 Performance: 107.969 ns/day 0.222 hours/ns 6.248 steps/s 2023-04-07 13:06:03,264 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 26500 5300 49.031 -36101 5373.8 -41475 -41475 -0.2309 0.3585 0.022839 41979 2023-04-07 13:06:08,767 INFO [main.py:643]
{rank 0/100} MD step = 26600 step time: 00:00:00.017947 Performance: 107.898 ns/day 0.222 hours/ns 6.244 steps/s 2023-04-07 13:06:30,896 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 26600 5320 50.507 -35991 5535.6 -41527 -41527 -0.23316 0.35903 0.022344 42148 2023-04-07 13:06:32,751 INFO [main.py:643]
{rank 0/100} MD step = 26700 step time: 00:00:00.017904 Performance: 107.697 ns/day 0.223 hours/ns 6.232 steps/s 2023-04-07 13:06:50,450 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 26700 5340 49.92 -36200 5471.3 -41671 -41671 -0.23209 0.35996 0.022801 42291 2023-04-07 13:06:52,591 INFO [main.py:643]
{rank 0/100} MD step = 26800 step time: 00:00:00.018035 Performance: 107.602 ns/day 0.223 hours/ns 6.227 steps/s 2023-04-07 13:07:13,659 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 26800 5360 50.303 -36024 5513.3 -41538 -41538 -0.23146 0.36208 0.022668 42452 2023-04-07 13:07:15,519 INFO [main.py:643]
{rank 0/100} MD step = 26900 step time: 00:00:00.017820 Performance: 107.431 ns/day 0.223 hours/ns 6.217 steps/s 2023-04-07 13:07:20,249 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 26900 5380 50.41 -35884 5525 -41409 -41409 -0.23053 0.36365 0.023906 42637 2023-04-07 13:07:22,185 INFO [main.py:643]
{rank 0/100} MD step = 27000 step time: 00:00:00.018026 Performance: 107.665 ns/day 0.223 hours/ns 6.231 steps/s 2023-04-07 13:07:30,914 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 27000 5400 50.858 -35940 5574 -41514 -41514 -0.23297 0.36351 0.022935 42802 2023-04-07 13:07:32,718 INFO [main.py:643]
{rank 0/100} MD step = 27100 step time: 00:00:00.018015 Performance: 107.801 ns/day 0.223 hours/ns 6.239 steps/s 2023-04-07 13:07:45,897 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 27100 5420 49.411 -36240 5415.5 -41655 -41655 -0.23395 0.36222 0.02333 42929 2023-04-07 13:07:47,729 INFO [main.py:643]
{rank 0/100} MD step = 27200 step time: 00:00:00.018020 Performance: 107.827 ns/day 0.223 hours/ns 6.240 steps/s 2023-04-07 13:07:52,283 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 27200 5440 50.233 -36087 5505.6 -41592 -41592 -0.23605 0.36278 0.024363 43092 2023-04-07 13:07:54,102 INFO [main.py:643]
{rank 0/100} MD step = 27300 step time: 00:00:00.018092 Performance: 108.065 ns/day 0.222 hours/ns 6.254 steps/s 2023-04-07 13:08:07,175 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 27300 5460 50.228 -35984 5505 -41489 -41489 -0.23839 0.36516 0.02303 43262 2023-04-07 13:08:09,160 INFO [main.py:643]
{rank 0/100} MD step = 27400 step time: 00:00:00.018118 Performance: 108.088 ns/day 0.222 hours/ns 6.255 steps/s 2023-04-07 13:08:26,867 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 27400 5480 49.934 -36009 5472.8 -41482 -41482 -0.2389 0.36481 0.022697 43413 2023-04-07 13:08:28,885 INFO [main.py:643]
{rank 0/100} MD step = 27500 step time: 00:00:00.018076 Performance: 107.996 ns/day 0.222 hours/ns 6.250 steps/s 2023-04-07 13:08:33,215 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 27500 5500 49.616 -36022 5438 -41460 -41460 -0.24116 0.36496 0.02183 43566 2023-04-07 13:08:35,019 INFO [main.py:643]
{rank 0/100} MD step = 27600 step time: 00:00:00.018073 Performance: 108.238 ns/day 0.222 hours/ns 6.264 steps/s 2023-04-07 13:08:39,655 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 27600 5520 49.671 -36021 5444 -41465 -41465 -0.24146 0.36564 0.020382 43716 2023-04-07 13:08:41,548 INFO [main.py:643]
{rank 0/100} MD step = 27700 step time: 00:00:00.017998 Performance: 108.470 ns/day 0.221 hours/ns 6.277 steps/s 2023-04-07 13:08:42,714 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 27700 5540 49.467 -36182 5421.6 -41603 -41603 -0.24292 0.36653 0.019153 43861 2023-04-07 13:08:44,539 INFO [main.py:643]
{rank 0/100} MD step = 27800 step time: 00:00:00.018212 Performance: 108.787 ns/day 0.221 hours/ns 6.296 steps/s 2023-04-07 13:08:48,395 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 27800 5560 49.53 -36073 5428.5 -41502 -41502 -0.24367 0.36689 0.018439 44039 2023-04-07 13:08:50,294 INFO [main.py:643]
{rank 0/100} MD step = 27900 step time: 00:00:00.018018 Performance: 109.037 ns/day 0.220 hours/ns 6.310 steps/s 2023-04-07 13:09:07,459 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 27900 5580 49.778 -36133 5455.7 -41588 -41588 -0.24793 0.36806 0.01963 44163 2023-04-07 13:09:09,318 INFO [main.py:643]
{rank 0/100} MD step = 28000 step time: 00:00:00.017961 Performance: 108.959 ns/day 0.220 hours/ns 6.305 steps/s 2023-04-07 13:09:22,757 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 28000 5600 49.929 -36118 5472.3 -41590 -41590 -0.24847 0.36914 0.019153 44346 2023-04-07 13:09:24,687 INFO [main.py:643]
{rank 0/100} MD step = 28100 step time: 00:00:00.018099 Performance: 108.971 ns/day 0.220 hours/ns 6.306 steps/s 2023-04-07 13:09:29,224 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 28100 5620 49.914 -36102 5470.6 -41572 -41572 -0.25006 0.37126 0.019792 44501 2023-04-07 13:09:31,035 INFO [main.py:643]
{rank 0/100} MD step = 28200 step time: 00:00:00.017901 Performance: 109.203 ns/day 0.220 hours/ns 6.320 steps/s 2023-04-07 13:09:43,821 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 28200 5640 49.057 -36133 5376.7 -41510 -41510 -0.25031 0.37265 0.020458 44687 2023-04-07 13:09:45,723 INFO [main.py:643]
{rank 0/100} MD step = 28300 step time: 00:00:00.018310 Performance: 109.230 ns/day 0.220 hours/ns 6.321 steps/s 2023-04-07 13:09:48,995 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 28300 5660 50.355 -36132 5518.9 -41651 -41651 -0.25213 0.37569 0.020411 44830 2023-04-07 13:09:50,905 INFO [main.py:643]
{rank 0/100} MD step = 28400 step time: 00:00:00.018042 Performance: 109.490 ns/day 0.219 hours/ns 6.336 steps/s 2023-04-07 13:09:54,404 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 28400 5680 50.646 -35882 5550.9 -41433 -41433 -0.25217 0.37682 0.02143 44993 2023-04-07 13:09:56,315 INFO [main.py:643]
{rank 0/100} MD step = 28500 step time: 00:00:00.018037 Performance: 109.743 ns/day 0.219 hours/ns 6.351 steps/s 2023-04-07 13:10:01,220 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 28500 5700 49.566 -36129 5432.5 -41561 -41561 -0.25161 0.3778 0.022592 45167 2023-04-07 13:10:03,071 INFO [main.py:643]
{rank 0/100} MD step = 28600 step time: 00:00:00.017821 Performance: 109.962 ns/day 0.218 hours/ns 6.364 steps/s 2023-04-07 13:10:04,205 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 28600 5720 49.877 -36115 5466.6 -41581 -41581 -0.25312 0.37774 0.021354 45333 2023-04-07 13:10:06,058 INFO [main.py:643]
{rank 0/100} MD step = 28700 step time: 00:00:00.017917 Performance: 110.273 ns/day 0.218 hours/ns 6.382 steps/s 2023-04-07 13:10:07,141 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 28700 5740 50.484 -36017 5533.1 -41550 -41550 -0.25489 0.37915 0.021906 45475 2023-04-07 13:10:09,005 INFO [main.py:643]
{rank 0/100} MD step = 28800 step time: 00:00:00.018032 Performance: 110.585 ns/day 0.217 hours/ns 6.400 steps/s 2023-04-07 13:10:12,545 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 28800 5760 49.598 -36124 5436 -41560 -41560 -0.25465 0.38008 0.022477 45611 2023-04-07 13:10:14,385 INFO [main.py:643]
{rank 0/100} MD step = 28900 step time: 00:00:00.018028 Performance: 110.837 ns/day 0.217 hours/ns 6.414 steps/s 2023-04-07 13:10:22,577 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 28900 5780 49.47 -35982 5421.9 -41404 -41404 -0.25627 0.3812 0.021706 45784 2023-04-07 13:10:24,517 INFO [main.py:643]
{rank 0/100} MD step = 29000 step time: 00:00:00.018040 Performance: 110.971 ns/day 0.216 hours/ns 6.422 steps/s 2023-04-07 13:10:25,500 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 29000 5800 49.938 -36151 5473.2 -41625 -41625 -0.25568 0.38219 0.021201 45906 2023-04-07 13:10:27,421 INFO [main.py:643]
{rank 0/100} MD step = 29100 step time: 00:00:00.017948 Performance: 111.282 ns/day 0.216 hours/ns 6.440 steps/s 2023-04-07 13:10:28,565 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 29100 5820 49.908 -36069 5470 -41539 -41539 -0.25559 0.38356 0.019687 46084 2023-04-07 13:10:30,413 INFO [main.py:643]
{rank 0/100} MD step = 29200 step time: 00:00:00.018137 Performance: 111.590 ns/day 0.215 hours/ns 6.458 steps/s 2023-04-07 13:10:35,860 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 29200 5840 49.86 -36108 5464.7 -41573 -41573 -0.25615 0.38464 0.020973 46262 2023-04-07 13:10:37,691 INFO [main.py:643]
{rank 0/100} MD step = 29300 step time: 00:00:00.018070 Performance: 111.792 ns/day 0.215 hours/ns 6.469 steps/s 2023-04-07 13:10:50,789 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 29300 5860 50.329 -36021 5516.1 -41537 -41537 -0.25451 0.38817 0.020954 46435 2023-04-07 13:10:52,591 INFO [main.py:643]
{rank 0/100} MD step = 29400 step time: 00:00:00.018004 Performance: 111.806 ns/day 0.215 hours/ns 6.470 steps/s 2023-04-07 13:10:57,862 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 29400 5880 50.75 -36111 5562.3 -41673 -41673 -0.25369 0.39092 0.021973 46590 2023-04-07 13:10:59,726 INFO [main.py:643]
{rank 0/100} MD step = 29500 step time: 00:00:00.018464 Performance: 112.011 ns/day 0.214 hours/ns 6.482 steps/s 2023-04-07 13:11:12,314 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 29500 5900 49.893 -36125 5468.4 -41593 -41593 -0.25428 0.39141 0.022858 46751 2023-04-07 13:11:14,293 INFO [main.py:643]
{rank 0/100} MD step = 29600 step time: 00:00:00.017926 Performance: 112.032 ns/day 0.214 hours/ns 6.483 steps/s 2023-04-07 13:11:20,787 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 29600 5920 49.892 -36128 5468.3 -41596 -41596 -0.2537 0.39351 0.021563 46906 2023-04-07 13:11:22,648 INFO [main.py:643]
{rank 0/100} MD step = 29700 step time: 00:00:00.017870 Performance: 112.205 ns/day 0.214 hours/ns 6.493 steps/s 2023-04-07 13:11:35,683 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 29700 5940 50.091 -36090 5490 -41581 -41581 -0.25354 0.3949 0.021515 47066 2023-04-07 13:11:37,505 INFO [main.py:643]
{rank 0/100} MD step = 29800 step time: 00:00:00.018209 Performance: 112.218 ns/day 0.214 hours/ns 6.494 steps/s 2023-04-07 13:11:50,974 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 29800 5960 50.667 -36062 5553.2 -41616 -41616 -0.25588 0.39541 0.023144 47237 2023-04-07 13:11:52,879 INFO [main.py:643]
{rank 0/100} MD step = 29900 step time: 00:00:00.018028 Performance: 112.219 ns/day 0.214 hours/ns 6.494 steps/s 2023-04-07 13:12:23,191 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 29900 5980 49.053 -36085 5376.3 -41461 -41461 -0.2557 0.39601 0.024344 47439 2023-04-07 13:12:25,028 INFO [main.py:643]
{rank 0/100} MD step = 30000 step time: 00:00:00.017784 Performance: 111.813 ns/day 0.215 hours/ns 6.471 steps/s 2023-04-07 13:12:38,184 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 30000 6000 50.004 -36024 5480.5 -41505 -41505 -0.25643 0.39659 0.02603 47567 2023-04-07 13:12:40,035 INFO [main.py:643]
{rank 0/100} MD step = 30100 step time: 00:00:00.018013 Performance: 111.824 ns/day 0.215 hours/ns 6.471 steps/s 2023-04-07 13:12:52,875 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 30100 6020 50.921 -36010 5581 -41591 -41591 -0.25723 0.39779 0.024544 47720 2023-04-07 13:12:54,693 INFO [main.py:643]
{rank 0/100} MD step = 30200 step time: 00:00:00.018031 Performance: 111.843 ns/day 0.215 hours/ns 6.472 steps/s 2023-04-07 13:13:03,998 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 30200 6040 50.14 -36085 5495.4 -41581 -41581 -0.25912 0.40034 0.025682 47869 2023-04-07 13:13:05,836 INFO [main.py:643]
{rank 0/100} MD step = 30300 step time: 00:00:00.018088 Performance: 111.946 ns/day 0.214 hours/ns 6.478 steps/s 2023-04-07 13:13:07,100 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 30300 6060 50.205 -36071 5502.5 -41573 -41573 -0.25902 0.40038 0.025297 48013 2023-04-07 13:13:08,955 INFO [main.py:643]
{rank 0/100} MD step = 30400 step time: 00:00:00.017994 Performance: 112.241 ns/day 0.214 hours/ns 6.495 steps/s 2023-04-07 13:13:20,751 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 30400 6080 50.377 -36029 5521.4 -41551 -41551 -0.26101 0.40123 0.026563 48178 2023-04-07 13:13:22,676 INFO [main.py:643]
{rank 0/100} MD step = 30500 step time: 00:00:00.018193 Performance: 112.281 ns/day 0.214 hours/ns 6.498 steps/s 2023-04-07 13:13:23,874 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 30500 6100 49.522 -36137 5427.7 -41565 -41565 -0.26104 0.40314 0.026201 48326 2023-04-07 13:13:25,709 INFO [main.py:643]
{rank 0/100} MD step = 30600 step time: 00:00:00.018129 Performance: 112.576 ns/day 0.213 hours/ns 6.515 steps/s 2023-04-07 13:13:37,891 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 30600 6120 50.44 -36104 5528.3 -41632 -41632 -0.2624 0.40306 0.025182 48464 2023-04-07 13:13:39,930 INFO [main.py:643]
{rank 0/100} MD step = 30700 step time: 00:00:00.018243 Performance: 112.603 ns/day 0.213 hours/ns 6.516 steps/s 2023-04-07 13:13:52,985 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 30700 6140 49.971 -36020 5476.9 -41497 -41497 -0.26304 0.40567 0.024782 48614 2023-04-07 13:13:54,854 INFO [main.py:643]
{rank 0/100} MD step = 30800 step time: 00:00:00.018014 Performance: 112.613 ns/day 0.213 hours/ns 6.517 steps/s 2023-04-07 13:14:12,325 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 30800 6160 49.476 -36198 5422.6 -41621 -41621 -0.26329 0.4081 0.025998 48755 2023-04-07 13:14:14,202 INFO [main.py:643]
{rank 0/100} MD step = 30900 step time: 00:00:00.018043 Performance: 112.518 ns/day 0.213 hours/ns 6.511 steps/s 2023-04-07 13:14:23,583 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 30900 6180 50.494 -36010 5534.2 -41544 -41544 -0.26295 0.40869 0.024992 48935 2023-04-07 13:14:25,414 INFO [main.py:643]
{rank 0/100} MD step = 31000 step time: 00:00:00.018056 Performance: 112.616 ns/day 0.213 hours/ns 6.517 steps/s 2023-04-07 13:14:38,168 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 31000 6200 50.103 -36181 5491.4 -41672 -41672 -0.262 0.40923 0.024394 49073 2023-04-07 13:14:40,109 INFO [main.py:643]
{rank 0/100} MD step = 31100 step time: 00:00:00.017970 Performance: 112.632 ns/day 0.213 hours/ns 6.518 steps/s 2023-04-07 13:14:57,659 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 31100 6220 50.67 -36013 5553.5 -41566 -41566 -0.26099 0.41126 0.025297 49241 2023-04-07 13:14:59,601 INFO [main.py:643]
{rank 0/100} MD step = 31200 step time: 00:00:00.017928 Performance: 112.534 ns/day 0.213 hours/ns 6.512 steps/s 2023-04-07 13:15:12,390 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 31200 6240 50.419 -36001 5526 -41527 -41527 -0.26051 0.4126 0.025544 49418 2023-04-07 13:15:14,366 INFO [main.py:643]
{rank 0/100} MD step = 31300 step time: 00:00:00.018049 Performance: 112.548 ns/day 0.213 hours/ns 6.513 steps/s 2023-04-07 13:15:36,270 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 31300 6260 50.116 -36114 5492.8 -41607 -41607 -0.26256 0.41444 0.025678 49552 2023-04-07 13:15:38,258 INFO [main.py:643]
{rank 0/100} MD step = 31400 step time: 00:00:00.017991 Performance: 112.349 ns/day 0.214 hours/ns 6.502 steps/s 2023-04-07 13:15:46,692 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 31400 6280 49.791 -36096 5457.2 -41553 -41553 -0.26221 0.41579 0.024649 49705 2023-04-07 13:15:48,685 INFO [main.py:643]
{rank 0/100} MD step = 31500 step time: 00:00:00.018045 Performance: 112.464 ns/day 0.213 hours/ns 6.508 steps/s 2023-04-07 13:15:53,786 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 31500 6300 49.663 -36259 5443.1 -41702 -41702 -0.26281 0.41705 0.02644 49844 2023-04-07 13:15:55,618 INFO [main.py:643]
{rank 0/100} MD step = 31600 step time: 00:00:00.018144 Performance: 112.659 ns/day 0.213 hours/ns 6.520 steps/s 2023-04-07 13:15:59,867 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 31600 6320 49.148 -36130 5386.7 -41517 -41517 -0.26369 0.41823 0.024801 50013 2023-04-07 13:16:01,687 INFO [main.py:643]
{rank 0/100} MD step = 31700 step time: 00:00:00.018108 Performance: 112.875 ns/day 0.213 hours/ns 6.532 steps/s 2023-04-07 13:16:12,000 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 31700 6340 49.727 -36144 5450.1 -41594 -41594 -0.26381 0.41894 0.025259 50135 2023-04-07 13:16:13,915 INFO [main.py:643]
{rank 0/100} MD step = 31800 step time: 00:00:00.018214 Performance: 112.946 ns/day 0.212 hours/ns 6.536 steps/s 2023-04-07 13:16:21,268 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 31800 6360 50.308 -36045 5513.8 -41559 -41559 -0.26392 0.42105 0.023506 50304 2023-04-07 13:16:23,410 INFO [main.py:643]
{rank 0/100} MD step = 31900 step time: 00:00:00.017931 Performance: 113.081 ns/day 0.212 hours/ns 6.544 steps/s 2023-04-07 13:16:29,278 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 31900 6380 50.288 -36019 5511.7 -41531 -41531 -0.26375 0.42336 0.02343 50445 2023-04-07 13:16:31,142 INFO [main.py:643]
{rank 0/100} MD step = 32000 step time: 00:00:00.018044 Performance: 113.255 ns/day 0.212 hours/ns 6.554 steps/s 2023-04-07 13:16:36,582 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 32000 6400 49.785 -36043 5456.5 -41499 -41499 -0.26425 0.42546 0.023773 50606 2023-04-07 13:16:38,417 INFO [main.py:643]
{rank 0/100} MD step = 32100 step time: 00:00:00.017986 Performance: 113.440 ns/day 0.212 hours/ns 6.565 steps/s 2023-04-07 13:16:51,470 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 32100 6420 50.69 -35924 5555.7 -41479 -41479 -0.2655 0.42806 0.023258 50756 2023-04-07 13:16:53,414 INFO [main.py:643]
{rank 0/100} MD step = 32200 step time: 00:00:00.017943 Performance: 113.446 ns/day 0.212 hours/ns 6.565 steps/s 2023-04-07 13:17:02,708 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 32200 6440 49.535 -36158 5429 -41587 -41587 -0.26622 0.42821 0.023211 50882 2023-04-07 13:17:04,649 INFO [main.py:643]
{rank 0/100} MD step = 32300 step time: 00:00:00.017988 Performance: 113.538 ns/day 0.211 hours/ns 6.570 steps/s 2023-04-07 13:17:13,758 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 32300 6460 50.377 -35980 5521.4 -41502 -41502 -0.26833 0.42957 0.023763 51059 2023-04-07 13:17:15,618 INFO [main.py:643]
{rank 0/100} MD step = 32400 step time: 00:00:00.018128 Performance: 113.636 ns/day 0.211 hours/ns 6.576 steps/s 2023-04-07 13:17:16,803 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 32400 6480 49.865 -36107 5465.2 -41573 -41573 -0.26952 0.43141 0.02463 51183 2023-04-07 13:17:18,733 INFO [main.py:643]
{rank 0/100} MD step = 32500 step time: 00:00:00.017924 Performance: 113.915 ns/day 0.211 hours/ns 6.592 steps/s 2023-04-07 13:17:38,650 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 32500 6500 49.886 -35979 5467.5 -41447 -41447 -0.26906 0.43241 0.025182 51375 2023-04-07 13:17:40,544 INFO [main.py:643]
{rank 0/100} MD step = 32600 step time: 00:00:00.017994 Performance: 113.762 ns/day 0.211 hours/ns 6.583 steps/s 2023-04-07 13:17:41,917 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 32600 6520 50.283 -36083 5511 -41594 -41594 -0.26973 0.43396 0.024878 51514 2023-04-07 13:17:43,819 INFO [main.py:643]
{rank 0/100} MD step = 32700 step time: 00:00:00.018045 Performance: 114.035 ns/day 0.210 hours/ns 6.599 steps/s 2023-04-07 13:18:00,331 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 32700 6540 50.665 -35945 5553 -41498 -41498 -0.26925 0.43366 0.026768 51670 2023-04-07 13:18:02,309 INFO [main.py:643]
{rank 0/100} MD step = 32800 step time: 00:00:00.017879 Performance: 113.959 ns/day 0.211 hours/ns 6.595 steps/s 2023-04-07 13:18:19,431 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 32800 6560 49.912 -36175 5470.4 -41645 -41645 -0.27109 0.43553 0.028325 51810 2023-04-07 13:18:21,357 INFO [main.py:643]
{rank 0/100} MD step = 32900 step time: 00:00:00.017918 Performance: 113.870 ns/day 0.211 hours/ns 6.590 steps/s 2023-04-07 13:18:36,909 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 32900 6580 50.443 -36108 5528.6 -41637 -41637 -0.27334 0.43718 0.028459 51968 2023-04-07 13:18:38,808 INFO [main.py:643]
{rank 0/100} MD step = 33000 step time: 00:00:00.018050 Performance: 113.818 ns/day 0.211 hours/ns 6.587 steps/s 2023-04-07 13:18:51,834 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 33000 6600 49.338 -36069 5407.5 -41477 -41477 -0.27192 0.43947 0.028916 52160 2023-04-07 13:18:53,765 INFO [main.py:643]
{rank 0/100} MD step = 33100 step time: 00:00:00.018142 Performance: 113.824 ns/day 0.211 hours/ns 6.587 steps/s 2023-04-07 13:19:02,703 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 33100 6620 50.579 -35993 5543.5 -41536 -41536 -0.27141 0.44151 0.029787 52306 2023-04-07 13:19:04,664 INFO [main.py:643]
{rank 0/100} MD step = 33200 step time: 00:00:00.017824 Performance: 113.920 ns/day 0.211 hours/ns 6.593 steps/s 2023-04-07 13:19:06,045 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 33200 6640 49.874 -36084 5466.2 -41550 -41550 -0.2699 0.44306 0.029525 52442 2023-04-07 13:19:07,944 INFO [main.py:643]
{rank 0/100} MD step = 33300 step time: 00:00:00.018008 Performance: 114.189 ns/day 0.210 hours/ns 6.608 steps/s 2023-04-07 13:19:11,770 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 33300 6660 50.027 -36151 5483.1 -41634 -41634 -0.27243 0.44547 0.030345 52591 2023-04-07 13:19:13,635 INFO [main.py:643]
{rank 0/100} MD step = 33400 step time: 00:00:00.018026 Performance: 114.403 ns/day 0.210 hours/ns 6.621 steps/s 2023-04-07 13:19:30,330 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 33400 6680 50.505 -36009 5535.4 -41544 -41544 -0.2743 0.44709 0.032059 52767 2023-04-07 13:19:32,309 INFO [main.py:643]
{rank 0/100} MD step = 33500 step time: 00:00:00.018018 Performance: 114.322 ns/day 0.210 hours/ns 6.616 steps/s 2023-04-07 13:19:36,583 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 33500 6700 49.87 -36086 5465.8 -41552 -41552 -0.27312 0.44663 0.032107 52905 2023-04-07 13:19:42,509 INFO [main.py:643]
{rank 0/100} MD step = 33600 step time: 00:00:00.018053 Performance: 114.433 ns/day 0.210 hours/ns 6.622 steps/s 2023-04-07 13:19:58,227 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 33600 6720 50.553 -35950 5540.7 -41491 -41491 -0.27398 0.44726 0.033364 53033 2023-04-07 13:20:00,138 INFO [main.py:643]
{rank 0/100} MD step = 33700 step time: 00:00:00.017972 Performance: 114.376 ns/day 0.210 hours/ns 6.619 steps/s 2023-04-07 13:20:05,494 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 33700 6740 48.928 -36245 5362.5 -41608 -41608 -0.27509 0.44728 0.034173 53180 2023-04-07 13:20:07,325 INFO [main.py:643]
{rank 0/100} MD step = 33800 step time: 00:00:00.018098 Performance: 114.554 ns/day 0.210 hours/ns 6.629 steps/s 2023-04-07 13:20:16,257 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 33800 6760 50.641 -36017 5550.3 -41568 -41568 -0.27396 0.4479 0.034821 53334 2023-04-07 13:20:18,143 INFO [main.py:643]
{rank 0/100} MD step = 33900 step time: 00:00:00.018029 Performance: 114.649 ns/day 0.209 hours/ns 6.635 steps/s 2023-04-07 13:20:22,709 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 33900 6780 50.593 -35929 5545 -41474 -41474 -0.27399 0.44794 0.034016 53492 2023-04-07 13:20:24,507 INFO [main.py:643]
{rank 0/100} MD step = 34000 step time: 00:00:00.017983 Performance: 114.845 ns/day 0.209 hours/ns 6.646 steps/s 2023-04-07 13:20:26,359 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 34000 6800 49.099 -36203 5381.3 -41585 -41585 -0.27266 0.45045 0.034478 53618 2023-04-07 13:20:28,277 INFO [main.py:643]
{rank 0/100} MD step = 34100 step time: 00:00:00.017925 Performance: 115.098 ns/day 0.209 hours/ns 6.661 steps/s 2023-04-07 13:20:36,968 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 34100 6820 49.99 -36171 5478.9 -41650 -41650 -0.26981 0.45118 0.033907 53759 2023-04-07 13:20:38,833 INFO [main.py:643]
{rank 0/100} MD step = 34200 step time: 00:00:00.017867 Performance: 115.198 ns/day 0.208 hours/ns 6.667 steps/s 2023-04-07 13:20:56,850 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 34200 6840 49.848 -36233 5463.4 -41696 -41696 -0.26855 0.45217 0.032497 53928 2023-04-07 13:20:58,724 INFO [main.py:643]
{rank 0/100} MD step = 34300 step time: 00:00:00.017984 Performance: 115.088 ns/day 0.209 hours/ns 6.660 steps/s 2023-04-07 13:21:03,048 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 34300 6860 51.298 -36057 5622.3 -41680 -41680 -0.27047 0.45288 0.032802 54057 2023-04-07 13:21:04,983 INFO [main.py:643]
{rank 0/100} MD step = 34400 step time: 00:00:00.018057 Performance: 115.284 ns/day 0.208 hours/ns 6.672 steps/s 2023-04-07 13:21:11,640 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 34400 6880 50.889 -35908 5577.5 -41486 -41486 -0.27015 0.45347 0.030006 54215 2023-04-07 13:21:13,737 INFO [main.py:643]
{rank 0/100} MD step = 34500 step time: 00:00:00.019771 Performance: 115.423 ns/day 0.208 hours/ns 6.680 steps/s 2023-04-07 13:21:21,930 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 34500 6900 50.497 -35981 5534.5 -41516 -41516 -0.26952 0.45331 0.030545 54363 2023-04-07 13:21:23,872 INFO [main.py:643]
{rank 0/100} MD step = 34600 step time: 00:00:00.018039 Performance: 115.531 ns/day 0.208 hours/ns 6.686 steps/s 2023-04-07 13:21:34,833 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 34600 6920 50.185 -35991 5500.3 -41491 -41491 -0.27144 0.45555 0.032126 54506 2023-04-07 13:21:36,637 INFO [main.py:643]
{rank 0/100} MD step = 34700 step time: 00:00:00.018191 Performance: 115.579 ns/day 0.208 hours/ns 6.689 steps/s 2023-04-07 13:21:47,927 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 34700 6940 50.137 -36104 5495.1 -41599 -41599 -0.27192 0.45574 0.031187 54649 2023-04-07 13:21:49,818 INFO [main.py:643]
{rank 0/100} MD step = 34800 step time: 00:00:00.018257 Performance: 115.619 ns/day 0.208 hours/ns 6.691 steps/s 2023-04-07 13:21:58,435 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 34800 6960 50.008 -36111 5480.9 -41592 -41592 -0.27351 0.45728 0.030135 54791 2023-04-07 13:22:00,446 INFO [main.py:643]
{rank 0/100} MD step = 34900 step time: 00:00:00.017913 Performance: 115.714 ns/day 0.207 hours/ns 6.696 steps/s 2023-04-07 13:22:18,215 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 34900 6980 49.161 -36111 5388.1 -41499 -41499 -0.2764 0.45667 0.031935 54965 2023-04-07 13:22:20,236 INFO [main.py:643]
{rank 0/100} MD step = 35000 step time: 00:00:00.018533 Performance: 115.607 ns/day 0.208 hours/ns 6.690 steps/s 2023-04-07 13:22:43,348 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 35000 7000 49.942 -36075 5473.7 -41549 -41549 -0.27897 0.45747 0.031683 55135 2023-04-07 13:22:46,477 INFO [main.py:643]
{rank 0/100} MD step = 35100 step time: 00:00:00.018060 Performance: 115.359 ns/day 0.208 hours/ns 6.676 steps/s 2023-04-07 13:22:59,008 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 35100 7020 50.834 -35963 5571.5 -41535 -41535 -0.27866 0.45851 0.031659 55266 2023-04-07 13:23:00,956 INFO [main.py:643]
{rank 0/100} MD step = 35200 step time: 00:00:00.017989 Performance: 115.370 ns/day 0.208 hours/ns 6.676 steps/s 2023-04-07 13:23:15,677 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 35200 7040 49.853 -36169 5464 -41633 -41633 -0.28082 0.45998 0.030983 55426 2023-04-07 13:23:17,524 INFO [main.py:643]
{rank 0/100} MD step = 35300 step time: 00:00:00.017973 Performance: 115.335 ns/day 0.208 hours/ns 6.674 steps/s 2023-04-07 13:23:27,269 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 35300 7060 50.241 -36035 5506.5 -41542 -41542 -0.28125 0.46307 0.030668 55599 2023-04-07 13:23:29,136 INFO [main.py:643]
{rank 0/100} MD step = 35400 step time: 00:00:00.017865 Performance: 115.408 ns/day 0.208 hours/ns 6.679 steps/s 2023-04-07 13:23:41,454 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 35400 7080 50.853 -36054 5573.6 -41628 -41628 -0.28051 0.46355 0.032078 55719 2023-04-07 13:23:43,369 INFO [main.py:643]
{rank 0/100} MD step = 35500 step time: 00:00:00.018164 Performance: 115.424 ns/day 0.208 hours/ns 6.680 steps/s 2023-04-07 13:23:51,975 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 35500 7100 50.634 -35996 5549.5 -41546 -41546 -0.28238 0.46437 0.033049 55898 2023-04-07 13:23:53,909 INFO [main.py:643]
{rank 0/100} MD step = 35600 step time: 00:00:00.018201 Performance: 115.520 ns/day 0.208 hours/ns 6.685 steps/s 2023-04-07 13:24:05,044 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 35600 7120 49.947 -36170 5474.3 -41644 -41644 -0.28219 0.46431 0.033911 56024 2023-04-07 13:24:06,949 INFO [main.py:643]
{rank 0/100} MD step = 35700 step time: 00:00:00.017875 Performance: 115.562 ns/day 0.208 hours/ns 6.688 steps/s 2023-04-07 13:24:13,073 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 35700 7140 49.421 -36173 5416.6 -41590 -41590 -0.28354 0.46639 0.034478 56195 2023-04-07 13:24:14,960 INFO [main.py:643]
{rank 0/100} MD step = 35800 step time: 00:00:00.017866 Performance: 115.712 ns/day 0.207 hours/ns 6.696 steps/s 2023-04-07 13:24:20,382 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 35800 7160 50.051 -36113 5485.7 -41599 -41599 -0.28302 0.46725 0.035107 56353 2023-04-07 13:24:22,407 INFO [main.py:643]
{rank 0/100} MD step = 35900 step time: 00:00:00.018007 Performance: 115.874 ns/day 0.207 hours/ns 6.706 steps/s 2023-04-07 13:24:27,738 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 35900 7180 50.787 -35960 5566.3 -41526 -41526 -0.28378 0.46913 0.035907 56495 2023-04-07 13:24:29,792 INFO [main.py:643]
{rank 0/100} MD step = 36000 step time: 00:00:00.018074 Performance: 116.037 ns/day 0.207 hours/ns 6.715 steps/s 2023-04-07 13:24:45,682 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 36000 7200 49.71 -36261 5448.3 -41710 -41710 -0.28543 0.4702 0.036954 56614 2023-04-07 13:24:47,523 INFO [main.py:643]
{rank 0/100} MD step = 36100 step time: 00:00:00.018028 Performance: 115.975 ns/day 0.207 hours/ns 6.712 steps/s 2023-04-07 13:25:11,966 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 36100 7220 49.912 -36142 5470.4 -41613 -41613 -0.28642 0.47077 0.036012 56778 2023-04-07 13:25:13,943 INFO [main.py:643]
{rank 0/100} MD step = 36200 step time: 00:00:00.017908 Performance: 115.728 ns/day 0.207 hours/ns 6.697 steps/s 2023-04-07 13:25:23,046 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 36200 7240 49.626 -36116 5439.1 -41555 -41555 -0.28457 0.47264 0.035459 56964 2023-04-07 13:25:24,989 INFO [main.py:643]
{rank 0/100} MD step = 36300 step time: 00:00:00.017807 Performance: 115.811 ns/day 0.207 hours/ns 6.702 steps/s 2023-04-07 13:25:51,074 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 36300 7260 50.044 -36132 5484.9 -41617 -41617 -0.2842 0.47469 0.034554 57116 2023-04-07 13:25:53,045 INFO [main.py:643]
{rank 0/100} MD step = 36400 step time: 00:00:00.018018 Performance: 115.532 ns/day 0.208 hours/ns 6.686 steps/s 2023-04-07 13:25:59,926 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 36400 7280 49.712 -36063 5448.5 -41511 -41511 -0.28651 0.47568 0.033697 57277 2023-04-07 13:26:01,740 INFO [main.py:643]
{rank 0/100} MD step = 36500 step time: 00:00:00.017958 Performance: 115.664 ns/day 0.207 hours/ns 6.694 steps/s 2023-04-07 13:26:02,797 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 36500 7300 49.734 -36148 5450.9 -41599 -41599 -0.28859 0.47666 0.03345 57417 2023-04-07 13:26:04,762 INFO [main.py:643]
{rank 0/100} MD step = 36600 step time: 00:00:00.017983 Performance: 115.917 ns/day 0.207 hours/ns 6.708 steps/s 2023-04-07 13:26:18,161 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 36600 7320 49.582 -36109 5434.2 -41543 -41543 -0.28918 0.47851 0.032659 57579 2023-04-07 13:26:23,902 INFO [main.py:643]
{rank 0/100} MD step = 36700 step time: 00:00:00.017998 Performance: 115.827 ns/day 0.207 hours/ns 6.703 steps/s 2023-04-07 13:26:44,156 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 36700 7340 49.343 -36053 5408 -41461 -41461 -0.28873 0.47995 0.032154 57768 2023-04-07 13:26:46,118 INFO [main.py:643]
{rank 0/100} MD step = 36800 step time: 00:00:00.018219 Performance: 115.674 ns/day 0.207 hours/ns 6.694 steps/s 2023-04-07 13:26:54,782 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 36800 7360 50.115 -35999 5492.7 -41491 -41491 -0.28954 0.48151 0.032345 57918 2023-04-07 13:27:00,664 INFO [main.py:643]
{rank 0/100} MD step = 36900 step time: 00:00:00.017924 Performance: 115.682 ns/day 0.207 hours/ns 6.695 steps/s 2023-04-07 13:27:18,502 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 36900 7380 51.029 -35959 5592.8 -41552 -41552 -0.29157 0.48144 0.032535 58066 2023-04-07 13:27:20,353 INFO [main.py:643]
{rank 0/100} MD step = 37000 step time: 00:00:00.018009 Performance: 115.583 ns/day 0.208 hours/ns 6.689 steps/s 2023-04-07 13:27:29,276 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 37000 7400 50.871 -35919 5575.5 -41495 -41495 -0.2912 0.48127 0.033564 58227 2023-04-07 13:27:31,373 INFO [main.py:643]
{rank 0/100} MD step = 37100 step time: 00:00:00.017983 Performance: 115.665 ns/day 0.207 hours/ns 6.694 steps/s 2023-04-07 13:27:48,464 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 37100 7420 50.385 -36107 5522.3 -41629 -41629 -0.29067 0.48191 0.032949 58378 2023-04-07 13:27:50,359 INFO [main.py:643]
{rank 0/100} MD step = 37200 step time: 00:00:00.018039 Performance: 115.580 ns/day 0.208 hours/ns 6.689 steps/s 2023-04-07 13:28:04,040 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 37200 7440 49.447 -36152 5419.4 -41571 -41571 -0.29208 0.48245 0.033573 58534 2023-04-07 13:28:05,906 INFO [main.py:643]
{rank 0/100} MD step = 37300 step time: 00:00:00.017907 Performance: 115.568 ns/day 0.208 hours/ns 6.688 steps/s 2023-04-07 13:28:18,288 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 37300 7460 49.632 -36116 5439.7 -41556 -41556 -0.29186 0.48271 0.034183 58709 2023-04-07 13:28:20,322 INFO [main.py:643]
{rank 0/100} MD step = 37400 step time: 00:00:00.017799 Performance: 115.579 ns/day 0.208 hours/ns 6.689 steps/s 2023-04-07 13:28:21,317 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 37400 7480 49.55 -36190 5430.7 -41620 -41620 -0.29301 0.48476 0.034897 58853 2023-04-07 13:28:23,319 INFO [main.py:643]
{rank 0/100} MD step = 37500 step time: 00:00:00.017938 Performance: 115.826 ns/day 0.207 hours/ns 6.703 steps/s 2023-04-07 13:28:31,855 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 37500 7500 50.81 -35920 5568.8 -41489 -41489 -0.29189 0.48683 0.033678 59014 2023-04-07 13:28:33,786 INFO [main.py:643]
{rank 0/100} MD step = 37600 step time: 00:00:00.018074 Performance: 115.918 ns/day 0.207 hours/ns 6.708 steps/s 2023-04-07 13:28:34,894 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 37600 7520 49.932 -36181 5472.6 -41653 -41653 -0.28867 0.48822 0.032592 59154 2023-04-07 13:28:36,809 INFO [main.py:643]
{rank 0/100} MD step = 37700 step time: 00:00:00.017991 Performance: 116.164 ns/day 0.207 hours/ns 6.722 steps/s 2023-04-07 13:28:42,161 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 37700 7540 50.64 -36042 5550.2 -41592 -41592 -0.28975 0.49017 0.032845 59323 2023-04-07 13:28:44,015 INFO [main.py:643]
{rank 0/100} MD step = 37800 step time: 00:00:00.018128 Performance: 116.322 ns/day 0.206 hours/ns 6.732 steps/s 2023-04-07 13:28:52,706 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 37800 7560 50.33 -36105 5516.2 -41621 -41621 -0.28802 0.49071 0.033488 59444 2023-04-07 13:28:54,606 INFO [main.py:643]
{rank 0/100} MD step = 37900 step time: 00:00:00.018037 Performance: 116.410 ns/day 0.206 hours/ns 6.737 steps/s 2023-04-07 13:28:55,648 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 37900 7580 50.386 -36020 5522.4 -41542 -41542 -0.28996 0.49186 0.033735 59621 2023-04-07 13:28:57,548 INFO [main.py:643]
{rank 0/100} MD step = 38000 step time: 00:00:00.017992 Performance: 116.657 ns/day 0.206 hours/ns 6.751 steps/s 2023-04-07 13:29:01,639 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 38000 7600 50.225 -36002 5504.7 -41507 -41507 -0.28725 0.49364 0.034159 59780 2023-04-07 13:29:03,558 INFO [main.py:643]
{rank 0/100} MD step = 38100 step time: 00:00:00.018202 Performance: 116.839 ns/day 0.205 hours/ns 6.762 steps/s 2023-04-07 13:29:07,944 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 38100 7620 49.639 -36135 5440.5 -41575 -41575 -0.28485 0.49485 0.034745 59936 2023-04-07 13:29:09,848 INFO [main.py:643]
{rank 0/100} MD step = 38200 step time: 00:00:00.018078 Performance: 117.015 ns/day 0.205 hours/ns 6.772 steps/s 2023-04-07 13:29:10,813 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 38200 7640 50.381 -36063 5521.8 -41585 -41585 -0.28526 0.4957 0.034954 60098 2023-04-07 13:29:12,818 INFO [main.py:643]
{rank 0/100} MD step = 38300 step time: 00:00:00.020556 Performance: 117.259 ns/day 0.205 hours/ns 6.786 steps/s 2023-04-07 13:29:21,002 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 38300 7660 50.602 -36053 5546 -41599 -41599 -0.28249 0.49612 0.035869 60259 2023-04-07 13:29:22,948 INFO [main.py:643]
{rank 0/100} MD step = 38400 step time: 00:00:00.017957 Performance: 117.355 ns/day 0.205 hours/ns 6.791 steps/s 2023-04-07 13:29:27,584 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 38400 7680 50.327 -36030 5515.9 -41546 -41546 -0.27887 0.49709 0.035442 60485 2023-04-07 13:29:29,454 INFO [main.py:643]
{rank 0/100} MD step = 38500 step time: 00:00:00.017925 Performance: 117.525 ns/day 0.204 hours/ns 6.801 steps/s 2023-04-07 13:29:37,931 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 38500 7700 50.309 -36013 5513.9 -41527 -41527 -0.27877 0.49797 0.036459 60622 2023-04-07 13:29:39,776 INFO [main.py:643]
{rank 0/100} MD step = 38600 step time: 00:00:00.017965 Performance: 117.616 ns/day 0.204 hours/ns 6.806 steps/s 2023-04-07 13:29:49,178 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 38600 7720 49.985 -36259 5478.5 -41737 -41737 -0.27613 0.49875 0.037478 60757 2023-04-07 13:29:51,014 INFO [main.py:643]
{rank 0/100} MD step = 38700 step time: 00:00:00.017992 Performance: 117.688 ns/day 0.204 hours/ns 6.811 steps/s 2023-04-07 13:29:55,767 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 38700 7740 49.755 -36253 5453.2 -41706 -41706 -0.27598 0.49935 0.038326 60933 2023-04-07 13:29:57,703 INFO [main.py:643]
{rank 0/100} MD step = 38800 step time: 00:00:00.018151 Performance: 117.853 ns/day 0.204 hours/ns 6.820 steps/s 2023-04-07 13:30:01,490 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 38800 7760 49.395 -36214 5413.8 -41628 -41628 -0.27312 0.5005 0.038355 61099 2023-04-07 13:30:07,669 INFO [main.py:643]
{rank 0/100} MD step = 38900 step time: 00:00:00.018034 Performance: 117.950 ns/day 0.203 hours/ns 6.826 steps/s 2023-04-07 13:30:21,388 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 38900 7780 49.232 -36261 5395.9 -41657 -41657 -0.27228 0.50109 0.038555 61249 2023-04-07 13:30:23,216 INFO [main.py:643]
{rank 0/100} MD step = 39000 step time: 00:00:00.018301 Performance: 117.932 ns/day 0.204 hours/ns 6.825 steps/s 2023-04-07 13:30:31,822 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 39000 7800 50.095 -36168 5490.5 -41659 -41659 -0.27175 0.5009 0.038002 61436 2023-04-07 13:30:33,663 INFO [main.py:643]
{rank 0/100} MD step = 39100 step time: 00:00:00.017930 Performance: 118.018 ns/day 0.203 hours/ns 6.830 steps/s 2023-04-07 13:30:42,429 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 39100 7820 49.625 -36187 5439 -41626 -41626 -0.27342 0.50128 0.038021 61614 2023-04-07 13:30:44,880 INFO [main.py:643]
{rank 0/100} MD step = 39200 step time: 00:00:00.018058 Performance: 118.089 ns/day 0.203 hours/ns 6.834 steps/s 2023-04-07 13:30:57,887 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 39200 7840 50.3 -36128 5513 -41641 -41641 -0.27062 0.50059 0.038097 61760 2023-04-07 13:30:59,780 INFO [main.py:643]
{rank 0/100} MD step = 39300 step time: 00:00:00.017893 Performance: 118.083 ns/day 0.203 hours/ns 6.834 steps/s 2023-04-07 13:31:08,274 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 39300 7860 49.431 -36281 5417.7 -41699 -41699 -0.26702 0.50263 0.038269 61925 2023-04-07 13:31:10,397 INFO [main.py:643]
{rank 0/100} MD step = 39400 step time: 00:00:00.018020 Performance: 118.166 ns/day 0.203 hours/ns 6.838 steps/s 2023-04-07 13:31:35,805 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 39400 7880 51.187 -36054 5610.2 -41664 -41664 -0.26678 0.50342 0.040583 62108 2023-04-07 13:31:37,740 INFO [main.py:643]
{rank 0/100} MD step = 39500 step time: 00:00:00.017996 Performance: 117.906 ns/day 0.204 hours/ns 6.823 steps/s 2023-04-07 13:31:55,266 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 39500 7900 50.132 -36177 5494.5 -41671 -41671 -0.26461 0.5033 0.040459 62262 2023-04-07 13:32:01,072 INFO [main.py:643]
{rank 0/100} MD step = 39600 step time: 00:00:00.018016 Performance: 117.730 ns/day 0.204 hours/ns 6.813 steps/s 2023-04-07 13:32:03,458 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 39600 7920 49.773 -36178 5455.2 -41634 -41634 -0.26674 0.50384 0.040212 62427 2023-04-07 13:32:05,360 INFO [main.py:643]
{rank 0/100} MD step = 39700 step time: 00:00:00.017996 Performance: 117.940 ns/day 0.203 hours/ns 6.825 steps/s 2023-04-07 13:32:19,297 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 39700 7940 49.63 -36118 5439.5 -41558 -41558 -0.26345 0.50292 0.040555 62592 2023-04-07 13:32:21,246 INFO [main.py:643]
{rank 0/100} MD step = 39800 step time: 00:00:00.018008 Performance: 117.915 ns/day 0.204 hours/ns 6.824 steps/s 2023-04-07 13:32:30,160 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 39800 7960 50.109 -36172 5492 -41664 -41664 -0.26388 0.50361 0.040545 62745 2023-04-07 13:32:32,092 INFO [main.py:643]
{rank 0/100} MD step = 39900 step time: 00:00:00.018020 Performance: 117.992 ns/day 0.203 hours/ns 6.828 steps/s 2023-04-07 13:32:41,135 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 39900 7980 51.186 -36170 5610 -41780 -41780 -0.26047 0.5054 0.041583 62876 2023-04-07 13:32:42,988 INFO [main.py:643]
{rank 0/100} MD step = 40000 step time: 00:00:00.017915 Performance: 118.068 ns/day 0.203 hours/ns 6.833 steps/s 2023-04-07 13:32:47,651 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 40000 8000 50.517 -36256 5536.7 -41793 -41793 -0.26121 0.5061 0.042098 63019 2023-04-07 13:32:49,525 INFO [main.py:643]
{rank 0/100} MD step = 40100 step time: 00:00:00.018209 Performance: 118.231 ns/day 0.203 hours/ns 6.842 steps/s 2023-04-07 13:32:57,802 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 40100 8020 50.258 -36142 5508.3 -41650 -41650 -0.26129 0.50756 0.044526 63200 2023-04-07 13:32:59,737 INFO [main.py:643]
{rank 0/100} MD step = 40200 step time: 00:00:00.018219 Performance: 118.320 ns/day 0.203 hours/ns 6.847 steps/s 2023-04-07 13:33:00,829 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 40200 8040 50.203 -36158 5502.3 -41661 -41661 -0.26097 0.50813 0.04486 63347 2023-04-07 13:33:02,745 INFO [main.py:643]
{rank 0/100} MD step = 40300 step time: 00:00:00.018009 Performance: 118.553 ns/day 0.202 hours/ns 6.861 steps/s 2023-04-07 13:33:14,798 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 40300 8060 50.057 -36329 5486.3 -41815 -41815 -0.25696 0.51061 0.045955 63483 2023-04-07 13:33:16,673 INFO [main.py:643]
{rank 0/100} MD step = 40400 step time: 00:00:00.018022 Performance: 118.566 ns/day 0.202 hours/ns 6.861 steps/s 2023-04-07 13:33:29,976 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 40400 8080 49.599 -36306 5436.1 -41742 -41742 -0.2584 0.51191 0.044174 63658 2023-04-07 13:33:31,855 INFO [main.py:643]
{rank 0/100} MD step = 40500 step time: 00:00:00.018110 Performance: 118.554 ns/day 0.202 hours/ns 6.861 steps/s 2023-04-07 13:33:32,933 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 40500 8100 51.036 -36140 5593.6 -41733 -41733 -0.2596 0.51321 0.043893 63839 2023-04-07 13:33:34,809 INFO [main.py:643]
{rank 0/100} MD step = 40600 step time: 00:00:00.017836 Performance: 118.787 ns/day 0.202 hours/ns 6.874 steps/s 2023-04-07 13:33:55,784 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 40600 8120 50.131 -36133 5494.4 -41628 -41628 -0.25939 0.51403 0.046036 64015 2023-04-07 13:33:57,788 INFO [main.py:643]
{rank 0/100} MD step = 40700 step time: 00:00:00.018052 Performance: 118.618 ns/day 0.202 hours/ns 6.864 steps/s 2023-04-07 13:34:02,044 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 40700 8140 49.544 -36399 5430.1 -41830 -41830 -0.256 0.51601 0.044803 64138 2023-04-07 13:34:04,023 INFO [main.py:643]
{rank 0/100} MD step = 40800 step time: 00:00:00.017846 Performance: 118.785 ns/day 0.202 hours/ns 6.874 steps/s 2023-04-07 13:34:05,402 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 40800 8160 50.215 -36248 5503.7 -41752 -41752 -0.25558 0.51645 0.044917 64312 2023-04-07 13:34:07,270 INFO [main.py:643]
{rank 0/100} MD step = 40900 step time: 00:00:00.017938 Performance: 119.011 ns/day 0.202 hours/ns 6.887 steps/s 2023-04-07 13:34:19,564 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 40900 8180 50.372 -36125 5520.9 -41645 -41645 -0.25361 0.51852 0.043812 64500 2023-04-07 13:34:21,597 INFO [main.py:643]
{rank 0/100} MD step = 41000 step time: 00:00:00.018055 Performance: 119.015 ns/day 0.202 hours/ns 6.887 steps/s 2023-04-07 13:34:22,748 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 41000 8200 50.516 -36175 5536.6 -41712 -41712 -0.25224 0.51873 0.043143 64636 2023-04-07 13:34:24,696 INFO [main.py:643]
{rank 0/100} MD step = 41100 step time: 00:00:00.017976 Performance: 119.243 ns/day 0.201 hours/ns 6.901 steps/s 2023-04-07 13:34:40,705 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 41100 8220 50.213 -36262 5503.4 -41765 -41765 -0.25105 0.52067 0.045164 64820 2023-04-07 13:34:42,627 INFO [main.py:643]
{rank 0/100} MD step = 41200 step time: 00:00:00.018078 Performance: 119.174 ns/day 0.201 hours/ns 6.897 steps/s 2023-04-07 13:35:04,682 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 41200 8240 50.151 -36238 5496.6 -41735 -41735 -0.25222 0.52101 0.047088 64985 2023-04-07 13:35:06,626 INFO [main.py:643]
{rank 0/100} MD step = 41300 step time: 00:00:00.018098 Performance: 118.985 ns/day 0.202 hours/ns 6.886 steps/s 2023-04-07 13:35:11,305 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 41300 8260 50.466 -36121 5531.1 -41652 -41652 -0.24992 0.5203 0.046565 65153 2023-04-07 13:35:13,348 INFO [main.py:643]
{rank 0/100} MD step = 41400 step time: 00:00:00.018084 Performance: 119.140 ns/day 0.201 hours/ns 6.895 steps/s 2023-04-07 13:35:17,735 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 41400 8280 49.86 -36180 5464.7 -41645 -41645 -0.24924 0.52235 0.047203 65332 2023-04-07 13:35:19,673 INFO [main.py:643]
{rank 0/100} MD step = 41500 step time: 00:00:00.018084 Performance: 119.302 ns/day 0.201 hours/ns 6.904 steps/s 2023-04-07 13:35:36,490 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 41500 8300 50.503 -36195 5535.2 -41730 -41730 -0.25112 0.52241 0.04785 65476 2023-04-07 13:35:38,505 INFO [main.py:643]
{rank 0/100} MD step = 41600 step time: 00:00:00.018023 Performance: 119.216 ns/day 0.201 hours/ns 6.899 steps/s 2023-04-07 13:35:39,825 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 41600 8320 49.841 -36171 5462.6 -41634 -41634 -0.25015 0.5231 0.04926 65671 2023-04-07 13:35:41,871 INFO [main.py:643]
{rank 0/100} MD step = 41700 step time: 00:00:00.017979 Performance: 119.436 ns/day 0.201 hours/ns 6.912 steps/s 2023-04-07 13:35:45,964 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 41700 8340 50.074 -36237 5488.1 -41725 -41725 -0.24717 0.52364 0.048536 65799 2023-04-07 13:35:47,816 INFO [main.py:643]
{rank 0/100} MD step = 41800 step time: 00:00:00.017956 Performance: 119.605 ns/day 0.201 hours/ns 6.922 steps/s 2023-04-07 13:36:00,755 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 41800 8360 49.474 -36226 5422.4 -41648 -41648 -0.24313 0.5234 0.050022 65973 2023-04-07 13:36:02,654 INFO [main.py:643]
{rank 0/100} MD step = 41900 step time: 00:00:00.018031 Performance: 119.597 ns/day 0.201 hours/ns 6.921 steps/s 2023-04-07 13:36:06,670 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 41900 8380 49.287 -36251 5401.9 -41652 -41652 -0.24407 0.52561 0.049431 66126 2023-04-07 13:36:12,620 INFO [main.py:643]
{rank 0/100} MD step = 42000 step time: 00:00:00.017977 Performance: 119.685 ns/day 0.201 hours/ns 6.926 steps/s 2023-04-07 13:36:32,304 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 42000 8400 50.316 -36154 5514.7 -41668 -41668 -0.24344 0.52584 0.049355 66281 2023-04-07 13:36:34,409 INFO [main.py:643]
{rank 0/100} MD step = 42100 step time: 00:00:00.018063 Performance: 119.541 ns/day 0.201 hours/ns 6.918 steps/s 2023-04-07 13:36:39,180 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 42100 8420 50.078 -36290 5488.6 -41779 -41779 -0.24092 0.52688 0.050812 66433 2023-04-07 13:36:41,079 INFO [main.py:643]
{rank 0/100} MD step = 42200 step time: 00:00:00.017965 Performance: 119.693 ns/day 0.201 hours/ns 6.927 steps/s 2023-04-07 13:36:54,087 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 42200 8440 50.502 -36158 5535.1 -41693 -41693 -0.24139 0.52875 0.050531 66593 2023-04-07 13:36:55,932 INFO [main.py:643]
{rank 0/100} MD step = 42300 step time: 00:00:00.017977 Performance: 119.685 ns/day 0.201 hours/ns 6.926 steps/s 2023-04-07 13:37:00,400 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 42300 8460 49.96 -36171 5475.7 -41647 -41647 -0.24131 0.52965 0.050208 66766 2023-04-07 13:37:02,247 INFO [main.py:643]
{rank 0/100} MD step = 42400 step time: 00:00:00.018007 Performance: 119.844 ns/day 0.200 hours/ns 6.935 steps/s 2023-04-07 13:37:07,381 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 42400 8480 50.312 -36203 5514.3 -41717 -41717 -0.23952 0.52926 0.052555 66934 2023-04-07 13:37:09,265 INFO [main.py:643]
{rank 0/100} MD step = 42500 step time: 00:00:00.018156 Performance: 119.989 ns/day 0.200 hours/ns 6.944 steps/s 2023-04-07 13:37:26,044 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 42500 8500 50.24 -36101 5506.4 -41607 -41607 -0.23796 0.52879 0.052546 67092 2023-04-07 13:37:27,992 INFO [main.py:643]
{rank 0/100} MD step = 42600 step time: 00:00:00.018071 Performance: 119.905 ns/day 0.200 hours/ns 6.939 steps/s 2023-04-07 13:37:29,566 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 42600 8520 49.882 -36296 5467.1 -41763 -41763 -0.23674 0.53091 0.052193 67198 2023-04-07 13:37:31,446 INFO [main.py:643]
{rank 0/100} MD step = 42700 step time: 00:00:00.018178 Performance: 120.119 ns/day 0.200 hours/ns 6.951 steps/s 2023-04-07 13:37:41,024 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 42700 8540 50.676 -36139 5554.1 -41693 -41693 -0.2354 0.53115 0.053593 67386 2023-04-07 13:37:42,924 INFO [main.py:643]
{rank 0/100} MD step = 42800 step time: 00:00:00.017822 Performance: 120.175 ns/day 0.200 hours/ns 6.955 steps/s 2023-04-07 13:37:56,895 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 42800 8560 50.302 -36256 5513.2 -41769 -41769 -0.23391 0.53133 0.053817 67532 2023-04-07 13:37:58,748 INFO [main.py:643]
{rank 0/100} MD step = 42900 step time: 00:00:00.017851 Performance: 120.147 ns/day 0.200 hours/ns 6.953 steps/s 2023-04-07 13:38:02,935 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 42900 8580 49.457 -36216 5420.6 -41637 -41637 -0.23247 0.53171 0.055175 67729 2023-04-07 13:38:04,825 INFO [main.py:643]
{rank 0/100} MD step = 43000 step time: 00:00:00.017993 Performance: 120.309 ns/day 0.199 hours/ns 6.962 steps/s 2023-04-07 13:38:21,887 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 43000 8600 50.138 -36237 5495.2 -41733 -41733 -0.23106 0.53184 0.056689 67845 2023-04-07 13:38:23,830 INFO [main.py:643]
{rank 0/100} MD step = 43100 step time: 00:00:00.017944 Performance: 120.219 ns/day 0.200 hours/ns 6.957 steps/s 2023-04-07 13:38:24,886 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 43100 8620 50.354 -36118 5518.9 -41637 -41637 -0.22983 0.53275 0.055603 68024 2023-04-07 13:38:26,878 INFO [main.py:643]
{rank 0/100} MD step = 43200 step time: 00:00:00.018256 Performance: 120.438 ns/day 0.199 hours/ns 6.970 steps/s 2023-04-07 13:38:30,729 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 43200 8640 50.003 -36117 5480.4 -41598 -41598 -0.22912 0.53272 0.056498 68170 2023-04-07 13:38:32,616 INFO [main.py:643]
{rank 0/100} MD step = 43300 step time: 00:00:00.018194 Performance: 120.605 ns/day 0.199 hours/ns 6.979 steps/s 2023-04-07 13:38:41,799 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 43300 8660 50.244 -36222 5506.8 -41729 -41729 -0.22811 0.53401 0.056156 68297 2023-04-07 13:38:43,640 INFO [main.py:643]
{rank 0/100} MD step = 43400 step time: 00:00:00.018381 Performance: 120.670 ns/day 0.199 hours/ns 6.983 steps/s 2023-04-07 13:38:51,862 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 43400 8680 49.917 -36249 5471 -41720 -41720 -0.22523 0.5339 0.057346 68485 2023-04-07 13:38:53,765 INFO [main.py:643]
{rank 0/100} MD step = 43500 step time: 00:00:00.018133 Performance: 120.751 ns/day 0.199 hours/ns 6.988 steps/s 2023-04-07 13:39:02,780 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 43500 8700 50.18 -36177 5499.8 -41677 -41677 -0.22237 0.53449 0.056975 68670 2023-04-07 13:39:04,614 INFO [main.py:643]
{rank 0/100} MD step = 43600 step time: 00:00:00.017960 Performance: 120.818 ns/day 0.199 hours/ns 6.992 steps/s 2023-04-07 13:39:09,160 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 43600 8720 49.817 -36258 5460 -41718 -41718 -0.22093 0.53641 0.058575 68824 2023-04-07 13:39:11,013 INFO [main.py:643]
{rank 0/100} MD step = 43700 step time: 00:00:00.017963 Performance: 120.971 ns/day 0.198 hours/ns 7.001 steps/s 2023-04-07 13:39:12,341 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 43700 8740 50.107 -36171 5491.8 -41663 -41663 -0.21758 0.53731 0.058756 69002 2023-04-07 13:39:14,368 INFO [main.py:643]
{rank 0/100} MD step = 43800 step time: 00:00:00.018133 Performance: 121.183 ns/day 0.198 hours/ns 7.013 steps/s 2023-04-07 13:39:15,848 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 43800 8760 50.583 -36178 5543.9 -41722 -41722 -0.21689 0.53785 0.061337 69156 2023-04-07 13:39:17,776 INFO [main.py:643]
{rank 0/100} MD step = 43900 step time: 00:00:00.017890 Performance: 121.393 ns/day 0.198 hours/ns 7.025 steps/s 2023-04-07 13:39:26,431 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 43900 8780 50.524 -36233 5537.5 -41771 -41771 -0.21275 0.53946 0.062042 69291 2023-04-07 13:39:28,349 INFO [main.py:643]
{rank 0/100} MD step = 44000 step time: 00:00:00.018092 Performance: 121.464 ns/day 0.198 hours/ns 7.029 steps/s 2023-04-07 13:39:35,204 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 44000 8800 50.478 -36208 5532.4 -41741 -41741 -0.21216 0.54093 0.061718 69477 2023-04-07 13:39:37,155 INFO [main.py:643]
{rank 0/100} MD step = 44100 step time: 00:00:00.018010 Performance: 121.569 ns/day 0.197 hours/ns 7.035 steps/s 2023-04-07 13:39:40,100 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 44100 8820 50.073 -36169 5488.1 -41657 -41657 -0.21043 0.54212 0.062061 69635 2023-04-07 13:39:42,045 INFO [main.py:643]
{rank 0/100} MD step = 44200 step time: 00:00:00.018047 Performance: 121.750 ns/day 0.197 hours/ns 7.046 steps/s 2023-04-07 13:39:50,085 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 44200 8840 50.377 -36235 5521.3 -41757 -41757 -0.20772 0.54157 0.062508 69784 2023-04-07 13:39:51,887 INFO [main.py:643]
{rank 0/100} MD step = 44300 step time: 00:00:00.017928 Performance: 121.834 ns/day 0.197 hours/ns 7.051 steps/s 2023-04-07 13:40:00,772 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 44300 8860 50.036 -36265 5484 -41749 -41749 -0.20618 0.54148 0.064251 69947 2023-04-07 13:40:02,570 INFO [main.py:643]
{rank 0/100} MD step = 44400 step time: 00:00:00.017969 Performance: 121.902 ns/day 0.197 hours/ns 7.054 steps/s 2023-04-07 13:40:11,324 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 44400 8880 50.11 -36162 5492.1 -41654 -41654 -0.20493 0.54222 0.063146 70119 2023-04-07 13:40:13,312 INFO [main.py:643]
{rank 0/100} MD step = 44500 step time: 00:00:00.018086 Performance: 121.968 ns/day 0.197 hours/ns 7.058 steps/s 2023-04-07 13:40:30,857 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 44500 8900 50.196 -36207 5501.5 -41708 -41708 -0.20172 0.54412 0.062975 70301 2023-04-07 13:40:32,772 INFO [main.py:643]
{rank 0/100} MD step = 44600 step time: 00:00:00.018050 Performance: 121.866 ns/day 0.197 hours/ns 7.052 steps/s 2023-04-07 13:40:37,492 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 44600 8920 49.643 -36287 5441 -41728 -41728 -0.19817 0.54475 0.062201 70454 2023-04-07 13:40:39,412 INFO [main.py:643]
{rank 0/100} MD step = 44700 step time: 00:00:00.018175 Performance: 122.011 ns/day 0.197 hours/ns 7.061 steps/s 2023-04-07 13:40:43,984 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 44700 8940 49.699 -36174 5447.1 -41621 -41621 -0.19491 0.54526 0.061546 70629 2023-04-07 13:40:46,232 INFO [main.py:643]
{rank 0/100} MD step = 44800 step time: 00:00:00.018089 Performance: 122.153 ns/day 0.196 hours/ns 7.069 steps/s 2023-04-07 13:40:54,229 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 44800 8960 49.825 -36227 5460.9 -41688 -41688 -0.19437 0.54575 0.062518 70798 2023-04-07 13:40:56,162 INFO [main.py:643]
{rank 0/100} MD step = 44900 step time: 00:00:00.017970 Performance: 122.234 ns/day 0.196 hours/ns 7.074 steps/s 2023-04-07 13:41:09,386 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 44900 8980 50.708 -36134 5557.7 -41691 -41691 -0.19543 0.5467 0.062194 70977 2023-04-07 13:41:11,614 INFO [main.py:643]
{rank 0/100} MD step = 45000 step time: 00:00:00.018118 Performance: 122.208 ns/day 0.196 hours/ns 7.072 steps/s 2023-04-07 13:41:16,680 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 45000 9000 50.2 -36118 5502 -41620 -41620 -0.19211 0.54717 0.061089 71162 2023-04-07 13:41:18,506 INFO [main.py:643]
{rank 0/100} MD step = 45100 step time: 00:00:00.018006 Performance: 122.347 ns/day 0.196 hours/ns 7.080 steps/s 2023-04-07 13:41:26,616 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 45100 9020 50.921 -36172 5581 -41753 -41753 -0.19024 0.5482 0.061451 71303 2023-04-07 13:41:28,565 INFO [main.py:643]
{rank 0/100} MD step = 45200 step time: 00:00:00.017995 Performance: 122.425 ns/day 0.196 hours/ns 7.085 steps/s 2023-04-07 13:41:41,697 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 45200 9040 50.401 -36120 5524 -41644 -41644 -0.18679 0.54795 0.060889 71474 2023-04-07 13:41:47,633 INFO [main.py:643]
{rank 0/100} MD step = 45300 step time: 00:00:00.018042 Performance: 122.331 ns/day 0.196 hours/ns 7.079 steps/s 2023-04-07 13:42:00,963 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 45300 9060 50.517 -36106 5536.7 -41643 -41643 -0.18652 0.54992 0.062061 71626 2023-04-07 13:42:02,777 INFO [main.py:643]
{rank 0/100} MD step = 45400 step time: 00:00:00.018042 Performance: 122.311 ns/day 0.196 hours/ns 7.078 steps/s 2023-04-07 13:42:12,213 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 45400 9080 50.306 -36259 5513.6 -41772 -41772 -0.18407 0.55195 0.062013 71777 2023-04-07 13:42:14,108 INFO [main.py:643]
{rank 0/100} MD step = 45500 step time: 00:00:00.018209 Performance: 122.364 ns/day 0.196 hours/ns 7.081 steps/s 2023-04-07 13:42:26,718 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 45500 9100 50.179 -36182 5499.7 -41681 -41681 -0.18226 0.55265 0.063927 71954 2023-04-07 13:42:28,662 INFO [main.py:643]
{rank 0/100} MD step = 45600 step time: 00:00:00.018052 Performance: 122.356 ns/day 0.196 hours/ns 7.081 steps/s 2023-04-07 13:42:42,267 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 45600 9120 49.924 -36185 5471.7 -41657 -41657 -0.1804 0.55296 0.065166 72109 2023-04-07 13:42:44,181 INFO [main.py:643]
{rank 0/100} MD step = 45700 step time: 00:00:00.018204 Performance: 122.330 ns/day 0.196 hours/ns 7.079 steps/s 2023-04-07 13:42:45,418 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 45700 9140 50.205 -36192 5502.5 -41694 -41694 -0.17761 0.55263 0.064575 72249 2023-04-07 13:42:47,265 INFO [main.py:643]
{rank 0/100} MD step = 45800 step time: 00:00:00.018099 Performance: 122.539 ns/day 0.196 hours/ns 7.091 steps/s 2023-04-07 13:42:48,263 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 45800 9160 50.227 -36191 5504.9 -41696 -41696 -0.17451 0.5535 0.065508 72392 2023-04-07 13:42:50,248 INFO [main.py:643]
{rank 0/100} MD step = 45900 step time: 00:00:00.018084 Performance: 122.750 ns/day 0.196 hours/ns 7.104 steps/s 2023-04-07 13:42:59,257 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 45900 9180 49.308 -36235 5404.2 -41639 -41639 -0.17184 0.55404 0.066289 72567 2023-04-07 13:43:01,127 INFO [main.py:643]
{rank 0/100} MD step = 46000 step time: 00:00:00.018024 Performance: 122.810 ns/day 0.195 hours/ns 7.107 steps/s 2023-04-07 13:43:01,819 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 46000 9200 50.585 -36035 5544.2 -41580 -41580 -0.16721 0.55546 0.067699 72749 2023-04-07 13:43:11,239 INFO [main.py:643]
{rank 0/100} MD step = 46100 step time: 00:00:00.018004 Performance: 122.885 ns/day 0.195 hours/ns 7.111 steps/s 2023-04-07 13:43:16,248 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 46100 9220 50.779 -36138 5565.5 -41704 -41704 -0.16507 0.55516 0.068868 72904 2023-04-07 13:43:18,088 INFO [main.py:643]
{rank 0/100} MD step = 46200 step time: 00:00:00.018096 Performance: 123.022 ns/day 0.195 hours/ns 7.119 steps/s 2023-04-07 13:43:43,939 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 46200 9240 50.052 -36209 5485.8 -41695 -41695 -0.16301 0.55464 0.069937 73034 2023-04-07 13:43:45,888 INFO [main.py:643]
{rank 0/100} MD step = 46300 step time: 00:00:00.018080 Performance: 122.762 ns/day 0.195 hours/ns 7.104 steps/s 2023-04-07 13:44:03,272 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 46300 9260 49.856 -36214 5464.3 -41679 -41679 -0.16209 0.55577 0.069604 73213 2023-04-07 13:44:05,106 INFO [main.py:643]
{rank 0/100} MD step = 46400 step time: 00:00:00.017973 Performance: 122.666 ns/day 0.196 hours/ns 7.099 steps/s 2023-04-07 13:44:13,950 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 46400 9280 50.263 -36254 5508.9 -41763 -41763 -0.16235 0.55535 0.067356 73371 2023-04-07 13:44:16,217 INFO [main.py:643]
{rank 0/100} MD step = 46500 step time: 00:00:00.018033 Performance: 122.722 ns/day 0.196 hours/ns 7.102 steps/s 2023-04-07 13:44:21,167 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 46500 9300 49.848 -36251 5463.4 -41714 -41714 -0.16003 0.55558 0.069718 73528 2023-04-07 13:44:23,059 INFO [main.py:643]
{rank 0/100} MD step = 46600 step time: 00:00:00.018105 Performance: 122.857 ns/day 0.195 hours/ns 7.110 steps/s 2023-04-07 13:44:27,612 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 46600 9320 49.759 -36306 5453.6 -41760 -41760 -0.15849 0.55603 0.067832 73700 2023-04-07 13:44:29,575 INFO [main.py:643]
{rank 0/100} MD step = 46700 step time: 00:00:00.018177 Performance: 122.998 ns/day 0.195 hours/ns 7.118 steps/s 2023-04-07 13:44:38,114 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 46700 9340 50.053 -36144 5485.8 -41630 -41630 -0.15967 0.55637 0.069399 73881 2023-04-07 13:44:40,006 INFO [main.py:643]
{rank 0/100} MD step = 46800 step time: 00:00:00.018011 Performance: 123.066 ns/day 0.195 hours/ns 7.122 steps/s 2023-04-07 13:44:44,542 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 46800 9360 49.271 -36326 5400.2 -41726 -41726 -0.15942 0.55713 0.069261 74032 2023-04-07 13:44:46,453 INFO [main.py:643]
{rank 0/100} MD step = 46900 step time: 00:00:00.017994 Performance: 123.208 ns/day 0.195 hours/ns 7.130 steps/s 2023-04-07 13:44:59,044 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 46900 9380 49.879 -36301 5466.8 -41768 -41768 -0.15654 0.55722 0.068666 74195 2023-04-07 13:45:00,973 INFO [main.py:643]
{rank 0/100} MD step = 47000 step time: 00:00:00.018073 Performance: 123.199 ns/day 0.195 hours/ns 7.130 steps/s 2023-04-07 13:45:10,557 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 47000 9400 50.332 -36142 5516.4 -41658 -41658 -0.1533 0.5597 0.067785 74363 2023-04-07 13:45:12,411 INFO [main.py:643]
{rank 0/100} MD step = 47100 step time: 00:00:00.017973 Performance: 123.247 ns/day 0.195 hours/ns 7.132 steps/s 2023-04-07 13:45:16,527 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 47100 9420 49.753 -36302 5453 -41755 -41755 -0.1522 0.55954 0.068456 74534 2023-04-07 13:45:18,473 INFO [main.py:643]
{rank 0/100} MD step = 47200 step time: 00:00:00.018002 Performance: 123.396 ns/day 0.194 hours/ns 7.141 steps/s 2023-04-07 13:45:19,846 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 47200 9440 50.484 -36199 5533.1 -41732 -41732 -0.14969 0.56102 0.068185 74688 2023-04-07 13:45:21,713 INFO [main.py:643]
{rank 0/100} MD step = 47300 step time: 00:00:00.017959 Performance: 123.597 ns/day 0.194 hours/ns 7.153 steps/s 2023-04-07 13:45:33,551 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 47300 9460 49.825 -36262 5460.9 -41723 -41723 -0.14744 0.56323 0.067623 74839 2023-04-07 13:45:35,502 INFO [main.py:643]
{rank 0/100} MD step = 47400 step time: 00:00:00.018080 Performance: 123.600 ns/day 0.194 hours/ns 7.153 steps/s 2023-04-07 13:45:44,960 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 47400 9480 49.727 -36192 5450.1 -41643 -41643 -0.14309 0.56442 0.066785 75020 2023-04-07 13:45:46,797 INFO [main.py:643]
{rank 0/100} MD step = 47500 step time: 00:00:00.018059 Performance: 123.650 ns/day 0.194 hours/ns 7.156 steps/s 2023-04-07 13:46:07,905 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 47500 9500 49.834 -36234 5461.8 -41696 -41696 -0.13981 0.56578 0.066594 75160 2023-04-07 13:46:09,867 INFO [main.py:643]
{rank 0/100} MD step = 47600 step time: 00:00:00.018028 Performance: 123.481 ns/day 0.194 hours/ns 7.146 steps/s 2023-04-07 13:46:27,322 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 47600 9520 49.245 -36414 5397.3 -41811 -41811 -0.13963 0.56889 0.066061 75313 2023-04-07 13:46:29,193 INFO [main.py:643]
{rank 0/100} MD step = 47700 step time: 00:00:00.018092 Performance: 123.383 ns/day 0.195 hours/ns 7.140 steps/s 2023-04-07 13:46:46,415 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 47700 9540 49.459 -36214 5420.8 -41635 -41635 -0.14103 0.57038 0.066437 75485 2023-04-07 13:46:48,328 INFO [main.py:643]
{rank 0/100} MD step = 47800 step time: 00:00:00.018052 Performance: 123.288 ns/day 0.195 hours/ns 7.135 steps/s 2023-04-07 13:47:10,175 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 47800 9560 50.787 -36050 5566.3 -41617 -41617 -0.13843 0.57081 0.069266 75647 2023-04-07 13:47:12,110 INFO [main.py:643]
{rank 0/100} MD step = 47900 step time: 00:00:00.017979 Performance: 123.109 ns/day 0.195 hours/ns 7.124 steps/s 2023-04-07 13:47:33,931 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 47900 9580 50.366 -36102 5520.1 -41622 -41622 -0.13685 0.57045 0.069699 75790 2023-04-07 13:47:35,758 INFO [main.py:643]
{rank 0/100} MD step = 48000 step time: 00:00:00.017984 Performance: 122.934 ns/day 0.195 hours/ns 7.114 steps/s 2023-04-07 13:47:44,869 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 48000 9600 49.871 -36257 5465.9 -41722 -41722 -0.13519 0.57112 0.069847 75961 2023-04-07 13:47:46,787 INFO [main.py:643]
{rank 0/100} MD step = 48100 step time: 00:00:00.018226 Performance: 122.989 ns/day 0.195 hours/ns 7.117 steps/s 2023-04-07 13:48:16,646 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 48100 9620 49.397 -36326 5414 -41740 -41740 -0.13276 0.57226 0.071194 76103 2023-04-07 13:48:18,787 INFO [main.py:643]
{rank 0/100} MD step = 48200 step time: 00:00:00.018079 Performance: 122.664 ns/day 0.196 hours/ns 7.099 steps/s 2023-04-07 13:48:28,261 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 48200 9640 49.602 -36245 5436.4 -41682 -41682 -0.13209 0.57358 0.070994 76254 2023-04-07 13:48:30,151 INFO [main.py:643]
{rank 0/100} MD step = 48300 step time: 00:00:00.017936 Performance: 122.713 ns/day 0.196 hours/ns 7.101 steps/s 2023-04-07 13:48:59,547 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 48300 9660 50.256 -36176 5508.1 -41684 -41684 -0.12774 0.5757 0.071014 76392 2023-04-07 13:49:01,417 INFO [main.py:643]
{rank 0/100} MD step = 48400 step time: 00:00:00.018014 Performance: 122.404 ns/day 0.196 hours/ns 7.084 steps/s 2023-04-07 13:49:10,242 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 48400 9680 49.456 -36298 5420.4 -41718 -41718 -0.12541 0.57725 0.071547 76568 2023-04-07 13:49:12,315 INFO [main.py:643]
{rank 0/100} MD step = 48500 step time: 00:00:00.017931 Performance: 122.462 ns/day 0.196 hours/ns 7.087 steps/s 2023-04-07 13:49:21,180 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 48500 9700 50.28 -36196 5510.8 -41707 -41707 -0.12582 0.57733 0.072228 76729 2023-04-07 13:49:23,095 INFO [main.py:643]
{rank 0/100} MD step = 48600 step time: 00:00:00.017998 Performance: 122.521 ns/day 0.196 hours/ns 7.090 steps/s 2023-04-07 13:49:40,470 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 48600 9720 49.235 -36301 5396.2 -41698 -41698 -0.1253 0.57742 0.073009 76902 2023-04-07 13:49:42,405 INFO [main.py:643]
{rank 0/100} MD step = 48700 step time: 00:00:00.018059 Performance: 122.429 ns/day 0.196 hours/ns 7.085 steps/s 2023-04-07 13:49:51,444 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 48700 9740 49.842 -36218 5462.7 -41681 -41681 -0.12231 0.57674 0.072737 77064 2023-04-07 13:49:53,299 INFO [main.py:643]
{rank 0/100} MD step = 48800 step time: 00:00:00.018009 Performance: 122.486 ns/day 0.196 hours/ns 7.088 steps/s 2023-04-07 13:50:06,086 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 48800 9760 49.967 -36314 5476.4 -41790 -41790 -0.11985 0.57908 0.072576 77206 2023-04-07 13:50:12,174 INFO [main.py:643]
{rank 0/100} MD step = 48900 step time: 00:00:00.019043 Performance: 122.401 ns/day 0.196 hours/ns 7.083 steps/s 2023-04-07 13:50:21,691 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 48900 9780 49.686 -36237 5445.7 -41683 -41683 -0.11549 0.57961 0.072997 77416 2023-04-07 13:50:23,545 INFO [main.py:643]
{rank 0/100} MD step = 49000 step time: 00:00:00.017831 Performance: 122.450 ns/day 0.196 hours/ns 7.086 steps/s 2023-04-07 13:50:27,992 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 49000 9800 49.022 -36362 5372.9 -41735 -41735 -0.11323 0.58079 0.073114 77571 2023-04-07 13:50:29,880 INFO [main.py:643]
{rank 0/100} MD step = 49100 step time: 00:00:00.017910 Performance: 122.587 ns/day 0.196 hours/ns 7.094 steps/s 2023-04-07 13:50:38,365 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 49100 9820 50.304 -36093 5513.3 -41607 -41607 -0.10933 0.58206 0.07288 77745 2023-04-07 13:50:40,629 INFO [main.py:643]
{rank 0/100} MD step = 49200 step time: 00:00:00.018171 Performance: 122.647 ns/day 0.196 hours/ns 7.098 steps/s 2023-04-07 13:50:58,093 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 49200 9840 50.831 -36097 5571.2 -41668 -41668 -0.10997 0.58316 0.073376 77896 2023-04-07 13:51:01,805 INFO [main.py:643]
{rank 0/100} MD step = 49300 step time: 00:00:00.017949 Performance: 122.522 ns/day 0.196 hours/ns 7.090 steps/s 2023-04-07 13:51:10,628 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 49300 9860 50.219 -36151 5504 -41655 -41655 -0.10773 0.58173 0.074023 78029 2023-04-07 13:51:12,628 INFO [main.py:643]
{rank 0/100} MD step = 49400 step time: 00:00:00.017989 Performance: 122.579 ns/day 0.196 hours/ns 7.094 steps/s 2023-04-07 13:51:30,128 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 49400 9880 50.075 -36207 5488.3 -41695 -41695 -0.10199 0.58424 0.074023 78186 2023-04-07 13:51:32,127 INFO [main.py:643]
{rank 0/100} MD step = 49500 step time: 00:00:00.017887 Performance: 122.485 ns/day 0.196 hours/ns 7.088 steps/s 2023-04-07 13:51:41,099 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 49500 9900 50.123 -36200 5493.5 -41694 -41694 -0.10194 0.58433 0.073852 78355 2023-04-07 13:51:42,922 INFO [main.py:643]
{rank 0/100} MD step = 49600 step time: 00:00:00.018020 Performance: 122.543 ns/day 0.196 hours/ns 7.092 steps/s 2023-04-07 13:51:52,011 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 49600 9920 49.516 -36279 5427.1 -41706 -41706 -0.10121 0.58467 0.073147 78535 2023-04-07 13:51:53,959 INFO [main.py:643]
{rank 0/100} MD step = 49700 step time: 00:00:00.017974 Performance: 122.596 ns/day 0.196 hours/ns 7.095 steps/s 2023-04-07 13:52:17,248 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 49700 9940 49.658 -36217 5442.6 -41660 -41660 -0.099948 0.58484 0.072661 78695 2023-04-07 13:52:19,204 INFO [main.py:643]
{rank 0/100} MD step = 49800 step time: 00:00:00.018077 Performance: 122.402 ns/day 0.196 hours/ns 7.083 steps/s 2023-04-07 13:52:26,389 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 49800 9960 50.417 -36064 5525.8 -41590 -41590 -0.096824 0.58679 0.072404 78902 2023-04-07 13:52:28,329 INFO [main.py:643]
{rank 0/100} MD step = 49900 step time: 00:00:00.017933 Performance: 122.489 ns/day 0.196 hours/ns 7.088 steps/s 2023-04-07 13:52:30,279 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 49900 9980 50.688 -36089 5555.4 -41645 -41645 -0.095177 0.58948 0.071966 79023 2023-04-07 13:52:32,134 INFO [main.py:643]
{rank 0/100} MD step = 50000 step time: 00:00:00.018095 Performance: 122.668 ns/day 0.196 hours/ns 7.099 steps/s 2023-04-07 13:52:54,488 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 50000 10000 50.115 -36215 5492.6 -41707 -41707 -0.0929 0.59076 0.071995 79177 2023-04-07 13:52:56,333 INFO [main.py:643]
{rank 0/100} MD step = 50100 step time: 00:00:00.018023 Performance: 122.492 ns/day 0.196 hours/ns 7.089 steps/s 2023-04-07 13:53:17,290 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 50100 10020 49.613 -36299 5437.6 -41736 -41736 -0.094977 0.5908 0.072385 79332 2023-04-07 13:53:19,210 INFO [main.py:643]
{rank 0/100} MD step = 50200 step time: 00:00:00.018050 Performance: 122.341 ns/day 0.196 hours/ns 7.080 steps/s 2023-04-07 13:53:36,928 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 50200 10040 51.357 -35983 5628.8 -41612 -41612 -0.09351 0.59127 0.072956 79518 2023-04-07 13:53:38,768 INFO [main.py:643]
{rank 0/100} MD step = 50300 step time: 00:00:00.018037 Performance: 122.247 ns/day 0.196 hours/ns 7.074 steps/s 2023-04-07 13:53:47,553 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 50300 10060 50.598 -36224 5545.7 -41769 -41769 -0.092081 0.59295 0.072995 79671 2023-04-07 13:53:53,423 INFO [main.py:643]
{rank 0/100} MD step = 50400 step time: 00:00:00.018377 Performance: 122.238 ns/day 0.196 hours/ns 7.074 steps/s 2023-04-07 13:54:00,850 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 50400 10080 50.304 -36232 5513.4 -41745 -41745 -0.091043 0.59511 0.074442 79840 2023-04-07 13:54:02,699 INFO [main.py:643]
{rank 0/100} MD step = 50500 step time: 00:00:00.017970 Performance: 122.322 ns/day 0.196 hours/ns 7.079 steps/s 2023-04-07 13:54:03,826 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 50500 10100 49.487 -36228 5423.8 -41651 -41651 -0.089472 0.59659 0.07488 80029 2023-04-07 13:54:05,672 INFO [main.py:643]
{rank 0/100} MD step = 50600 step time: 00:00:00.017861 Performance: 122.513 ns/day 0.196 hours/ns 7.090 steps/s 2023-04-07 13:54:17,320 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 50600 10120 50.879 -36238 5576.4 -41815 -41815 -0.084976 0.59687 0.07368 80160 2023-04-07 13:54:19,374 INFO [main.py:643]
{rank 0/100} MD step = 50700 step time: 00:00:00.017999 Performance: 122.520 ns/day 0.196 hours/ns 7.090 steps/s 2023-04-07 13:54:28,407 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 50700 10140 50.156 -36271 5497.1 -41768 -41768 -0.084357 0.59676 0.074804 80302 2023-04-07 13:54:30,267 INFO [main.py:643]
{rank 0/100} MD step = 50800 step time: 00:00:00.032868 Performance: 122.575 ns/day 0.196 hours/ns 7.093 steps/s 2023-04-07 13:54:47,888 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 50800 10160 50.214 -36155 5503.5 -41658 -41658 -0.082238 0.5968 0.0765 80472 2023-04-07 13:54:49,730 INFO [main.py:643]
{rank 0/100} MD step = 50900 step time: 00:00:00.017950 Performance: 122.483 ns/day 0.196 hours/ns 7.088 steps/s 2023-04-07 13:55:15,580 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 50900 10180 49.838 -36134 5462.3 -41596 -41596 -0.078166 0.59789 0.077852 80652 2023-04-07 13:55:17,576 INFO [main.py:643]
{rank 0/100} MD step = 51000 step time: 00:00:00.017958 Performance: 122.250 ns/day 0.196 hours/ns 7.075 steps/s 2023-04-07 13:55:53,060 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 51000 10200 50.733 -36171 5560.4 -41731 -41731 -0.077747 0.59866 0.078443 80778 2023-04-07 13:55:54,955 INFO [main.py:643]
{rank 0/100} MD step = 51100 step time: 00:00:00.017992 Performance: 121.857 ns/day 0.197 hours/ns 7.052 steps/s 2023-04-07 13:56:07,056 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 51100 10220 49.563 -36315 5432.1 -41747 -41747 -0.072956 0.60004 0.078081 80936 2023-04-07 13:56:12,959 INFO [main.py:643]
{rank 0/100} MD step = 51200 step time: 00:00:00.017963 Performance: 121.793 ns/day 0.197 hours/ns 7.048 steps/s 2023-04-07 13:56:26,151 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 51200 10240 49.178 -36340 5389.9 -41730 -41730 -0.071394 0.60117 0.078314 81112 2023-04-07 13:56:28,051 INFO [main.py:643]
{rank 0/100} MD step = 51300 step time: 00:00:00.018153 Performance: 121.778 ns/day 0.197 hours/ns 7.047 steps/s 2023-04-07 13:56:34,966 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 51300 10260 50.48 -36189 5532.7 -41722 -41722 -0.068556 0.60213 0.080138 81279 2023-04-07 13:56:36,844 INFO [main.py:643]
{rank 0/100} MD step = 51400 step time: 00:00:00.018315 Performance: 121.868 ns/day 0.197 hours/ns 7.053 steps/s 2023-04-07 13:56:41,509 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 51400 10280 50.481 -36157 5532.8 -41690 -41690 -0.069032 0.60362 0.081052 81444 2023-04-07 13:56:43,588 INFO [main.py:643]
{rank 0/100} MD step = 51500 step time: 00:00:00.017936 Performance: 121.993 ns/day 0.197 hours/ns 7.060 steps/s 2023-04-07 13:56:48,298 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 51500 10300 50.497 -36172 5534.5 -41706 -41706 -0.069242 0.60422 0.081281 81595 2023-04-07 13:56:50,325 INFO [main.py:643]
{rank 0/100} MD step = 51600 step time: 00:00:00.018114 Performance: 122.117 ns/day 0.197 hours/ns 7.067 steps/s 2023-04-07 13:56:58,731 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 51600 10320 49.851 -36195 5463.8 -41659 -41659 -0.06747 0.60501 0.082062 81786 2023-04-07 13:57:00,615 INFO [main.py:643]
{rank 0/100} MD step = 51700 step time: 00:00:00.018243 Performance: 122.181 ns/day 0.196 hours/ns 7.071 steps/s 2023-04-07 13:57:13,599 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 51700 10340 49.796 -36196 5457.8 -41654 -41654 -0.063356 0.60482 0.081643 81919 2023-04-07 13:57:15,544 INFO [main.py:643]
{rank 0/100} MD step = 51800 step time: 00:00:00.018039 Performance: 122.168 ns/day 0.196 hours/ns 7.070 steps/s 2023-04-07 13:57:20,688 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 51800 10360 49.827 -36398 5461.1 -41859 -41859 -0.063142 0.60552 0.081014 82066 2023-04-07 13:57:22,541 INFO [main.py:643]
{rank 0/100} MD step = 51900 step time: 00:00:00.018192 Performance: 122.287 ns/day 0.196 hours/ns 7.077 steps/s 2023-04-07 13:57:35,410 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 51900 10380 49.096 -36319 5381 -41700 -41700 -0.062804 0.60642 0.081147 82264 2023-04-07 13:57:37,273 INFO [main.py:643]
{rank 0/100} MD step = 52000 step time: 00:00:00.018072 Performance: 122.277 ns/day 0.196 hours/ns 7.076 steps/s 2023-04-07 13:57:45,918 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 52000 10400 49.748 -36257 5452.5 -41709 -41709 -0.059051 0.60567 0.081262 82393 2023-04-07 13:57:47,879 INFO [main.py:643]
{rank 0/100} MD step = 52100 step time: 00:00:00.020837 Performance: 122.336 ns/day 0.196 hours/ns 7.080 steps/s 2023-04-07 13:58:05,864 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 52100 10420 50.421 -36265 5526.2 -41791 -41791 -0.057451 0.60569 0.081586 82557 2023-04-07 13:58:07,695 INFO [main.py:643]
{rank 0/100} MD step = 52200 step time: 00:00:00.017956 Performance: 122.241 ns/day 0.196 hours/ns 7.074 steps/s 2023-04-07 13:58:20,573 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 52200 10440 50.419 -36094 5526 -41620 -41620 -0.055032 0.60529 0.079547 82747 2023-04-07 13:58:22,408 INFO [main.py:643]
{rank 0/100} MD step = 52300 step time: 00:00:00.018043 Performance: 122.232 ns/day 0.196 hours/ns 7.074 steps/s 2023-04-07 13:58:39,354 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 52300 10460 49.876 -36172 5466.5 -41638 -41638 -0.05326 0.60617 0.080305 82903 2023-04-07 13:58:41,451 INFO [main.py:643]
{rank 0/100} MD step = 52400 step time: 00:00:00.018047 Performance: 122.151 ns/day 0.196 hours/ns 7.069 steps/s 2023-04-07 13:58:42,965 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 52400 10480 49.418 -36259 5416.2 -41675 -41675 -0.050398 0.60791 0.07829 83047 2023-04-07 13:58:44,775 INFO [main.py:643]
{rank 0/100} MD step = 52500 step time: 00:00:00.017937 Performance: 122.329 ns/day 0.196 hours/ns 7.079 steps/s 2023-04-07 13:58:48,933 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 52500 10500 49.9 -36154 5469.1 -41623 -41623 -0.05065 0.60882 0.078657 83209 2023-04-07 13:58:50,835 INFO [main.py:643]
{rank 0/100} MD step = 52600 step time: 00:00:00.017888 Performance: 122.462 ns/day 0.196 hours/ns 7.087 steps/s 2023-04-07 13:58:59,050 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 52600 10520 49.973 -36153 5477.1 -41630 -41630 -0.04865 0.60853 0.077204 83364 2023-04-07 13:59:00,936 INFO [main.py:643]
{rank 0/100} MD step = 52700 step time: 00:00:00.018106 Performance: 122.528 ns/day 0.196 hours/ns 7.091 steps/s 2023-04-07 13:59:09,800 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 52700 10540 49.39 -36364 5413.3 -41777 -41777 -0.046155 0.60742 0.078995 83500 2023-04-07 13:59:11,653 INFO [main.py:643]
{rank 0/100} MD step = 52800 step time: 00:00:00.018002 Performance: 122.584 ns/day 0.196 hours/ns 7.094 steps/s 2023-04-07 13:59:16,602 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 52800 10560 49.95 -36266 5474.5 -41740 -41740 -0.043812 0.60751 0.079862 83681 2023-04-07 13:59:18,592 INFO [main.py:643]
{rank 0/100} MD step = 52900 step time: 00:00:00.018057 Performance: 122.702 ns/day 0.196 hours/ns 7.101 steps/s 2023-04-07 13:59:19,853 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 52900 10580 50.29 -36254 5511.9 -41766 -41766 -0.044688 0.60885 0.080132 83845 2023-04-07 13:59:21,746 INFO [main.py:643]
{rank 0/100} MD step = 53000 step time: 00:00:00.017940 Performance: 122.882 ns/day 0.195 hours/ns 7.111 steps/s 2023-04-07 13:59:33,330 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 53000 10600 49.605 -36277 5436.8 -41714 -41714 -0.045888 0.60903 0.079404 83988 2023-04-07 13:59:35,232 INFO [main.py:643]
{rank 0/100} MD step = 53100 step time: 00:00:00.018882 Performance: 122.891 ns/day 0.195 hours/ns 7.112 steps/s 2023-04-07 13:59:36,453 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 53100 10620 50.418 -36104 5525.9 -41630 -41630 -0.045712 0.61093 0.079757 84163 2023-04-07 13:59:38,361 INFO [main.py:643]
{rank 0/100} MD step = 53200 step time: 00:00:00.018065 Performance: 123.071 ns/day 0.195 hours/ns 7.122 steps/s 2023-04-07 13:59:50,954 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 53200 10640 49.546 -36314 5430.3 -41744 -41744 -0.042383 0.61257 0.079585 84305 2023-04-07 13:59:52,818 INFO [main.py:643]
{rank 0/100} MD step = 53300 step time: 00:00:00.018318 Performance: 123.064 ns/day 0.195 hours/ns 7.122 steps/s 2023-04-07 13:59:57,616 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 53300 10660 50.343 -36063 5517.6 -41580 -41580 -0.042774 0.61192 0.079395 84487 2023-04-07 13:59:59,463 INFO [main.py:643]
{rank 0/100} MD step = 53400 step time: 00:00:00.019761 Performance: 123.186 ns/day 0.195 hours/ns 7.129 steps/s 2023-04-07 14:00:03,788 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 53400 10680 50.134 -36173 5494.8 -41668 -41668 -0.038707 0.61363 0.080016 84630 2023-04-07 14:00:09,253 INFO [main.py:643]
{rank 0/100} MD step = 53500 step time: 00:00:00.017997 Performance: 123.255 ns/day 0.195 hours/ns 7.133 steps/s 2023-04-07 14:00:26,783 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 53500 10700 49.139 -36216 5385.7 -41602 -41602 -0.036383 0.61451 0.080252 84762 2023-04-07 14:00:28,679 INFO [main.py:643]
{rank 0/100} MD step = 53600 step time: 00:00:00.018078 Performance: 123.167 ns/day 0.195 hours/ns 7.128 steps/s 2023-04-07 14:00:44,359 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 53600 10720 50.3 -36212 5512.9 -41725 -41725 -0.034983 0.6147 0.078481 84926 2023-04-07 14:00:46,289 INFO [main.py:643]
{rank 0/100} MD step = 53700 step time: 00:00:00.019919 Performance: 123.108 ns/day 0.195 hours/ns 7.124 steps/s 2023-04-07 14:00:54,895 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 53700 10740 49.501 -36232 5425.4 -41657 -41657 -0.035354 0.61647 0.078157 85068 2023-04-07 14:00:56,811 INFO [main.py:643]
{rank 0/100} MD step = 53800 step time: 00:00:00.018113 Performance: 123.165 ns/day 0.195 hours/ns 7.128 steps/s 2023-04-07 14:01:09,924 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 53800 10760 50.469 -36214 5531.5 -41746 -41746 -0.03144 0.61826 0.075671 85215 2023-04-07 14:01:20,262 INFO [main.py:643]
{rank 0/100} MD step = 53900 step time: 00:00:00.017896 Performance: 123.012 ns/day 0.195 hours/ns 7.119 steps/s 2023-04-07 14:01:21,354 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 53900 10780 50.71 -36154 5557.9 -41712 -41712 -0.031849 0.61927 0.0765 85401 2023-04-07 14:01:23,281 INFO [main.py:643]
{rank 0/100} MD step = 54000 step time: 00:00:00.018272 Performance: 123.191 ns/day 0.195 hours/ns 7.129 steps/s 2023-04-07 14:01:24,346 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 54000 10800 50.184 -36140 5500.3 -41641 -41641 -0.028687 0.62173 0.078328 85561 2023-04-07 14:01:26,362 INFO [main.py:643]
{rank 0/100} MD step = 54100 step time: 00:00:00.018103 Performance: 123.369 ns/day 0.195 hours/ns 7.139 steps/s 2023-04-07 14:01:31,739 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 54100 10820 49.385 -36366 5412.6 -41778 -41778 -0.024706 0.62266 0.078595 85681 2023-04-07 14:01:33,646 INFO [main.py:643]
{rank 0/100} MD step = 54200 step time: 00:00:00.018145 Performance: 123.478 ns/day 0.194 hours/ns 7.146 steps/s 2023-04-07 14:01:42,705 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 54200 10840 49.732 -36293 5450.7 -41744 -41744 -0.023439 0.62262 0.079204 85845 2023-04-07 14:01:44,573 INFO [main.py:643]
{rank 0/100} MD step = 54300 step time: 00:00:00.017978 Performance: 123.528 ns/day 0.194 hours/ns 7.149 steps/s 2023-04-07 14:01:48,733 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 54300 10860 49.892 -36263 5468.2 -41731 -41731 -0.021906 0.62314 0.079243 85998 2023-04-07 14:01:50,626 INFO [main.py:643]
{rank 0/100} MD step = 54400 step time: 00:00:00.018079 Performance: 123.657 ns/day 0.194 hours/ns 7.156 steps/s 2023-04-07 14:02:07,808 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 54400 10880 50.167 -36145 5498.4 -41643 -41643 -0.020668 0.62323 0.079147 86200 2023-04-07 14:02:09,766 INFO [main.py:643]
{rank 0/100} MD step = 54500 step time: 00:00:00.018213 Performance: 123.573 ns/day 0.194 hours/ns 7.151 steps/s 2023-04-07 14:02:23,526 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 54500 10900 49.383 -36236 5412.4 -41649 -41649 -0.018915 0.62432 0.079547 86358 2023-04-07 14:02:25,385 INFO [main.py:643]
{rank 0/100} MD step = 54600 step time: 00:00:00.018104 Performance: 123.547 ns/day 0.194 hours/ns 7.150 steps/s 2023-04-07 14:02:50,650 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 54600 10920 49.257 -36295 5398.6 -41693 -41693 -0.017049 0.62428 0.078995 86503 2023-04-07 14:02:52,523 INFO [main.py:643]
{rank 0/100} MD step = 54700 step time: 00:00:00.017931 Performance: 123.335 ns/day 0.195 hours/ns 7.137 steps/s 2023-04-07 14:03:01,648 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 54700 10940 50.283 -36132 5511.1 -41643 -41643 -0.017658 0.6251 0.080252 86665 2023-04-07 14:03:03,496 INFO [main.py:643]
{rank 0/100} MD step = 54800 step time: 00:00:00.018190 Performance: 123.384 ns/day 0.195 hours/ns 7.140 steps/s 2023-04-07 14:03:12,899 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 54800 10960 49.077 -36338 5378.9 -41717 -41717 -0.017106 0.6251 0.081224 86834 2023-04-07 14:03:14,821 INFO [main.py:643]
{rank 0/100} MD step = 54900 step time: 00:00:00.018032 Performance: 123.427 ns/day 0.194 hours/ns 7.143 steps/s 2023-04-07 14:03:30,017 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 54900 10980 50.035 -36329 5483.9 -41813 -41813 -0.018592 0.62451 0.080957 86973 2023-04-07 14:03:32,025 INFO [main.py:643]
{rank 0/100} MD step = 55000 step time: 00:00:00.018031 Performance: 123.375 ns/day 0.195 hours/ns 7.140 steps/s 2023-04-07 14:03:36,200 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 55000 11000 49.294 -36287 5402.7 -41689 -41689 -0.020268 0.62624 0.081243 87158 2023-04-07 14:03:38,108 INFO [main.py:643]
{rank 0/100} MD step = 55100 step time: 00:00:00.018014 Performance: 123.502 ns/day 0.194 hours/ns 7.147 steps/s 2023-04-07 14:03:42,492 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 55100 11020 49.968 -36194 5476.6 -41671 -41671 -0.018868 0.62684 0.08349 87315 2023-04-07 14:03:44,295 INFO [main.py:643]
{rank 0/100} MD step = 55200 step time: 00:00:00.018044 Performance: 123.627 ns/day 0.194 hours/ns 7.154 steps/s 2023-04-07 14:03:48,913 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 55200 11040 50.412 -36158 5525.2 -41683 -41683 -0.016715 0.62824 0.083205 87464 2023-04-07 14:03:50,756 INFO [main.py:643]
{rank 0/100} MD step = 55300 step time: 00:00:00.017886 Performance: 123.748 ns/day 0.194 hours/ns 7.161 steps/s 2023-04-07 14:03:55,554 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 55300 11060 50.27 -36267 5509.6 -41776 -41776 -0.014382 0.62893 0.083714 87600 2023-04-07 14:03:57,413 INFO [main.py:643]
{rank 0/100} MD step = 55400 step time: 00:00:00.018085 Performance: 123.865 ns/day 0.194 hours/ns 7.168 steps/s 2023-04-07 14:04:10,282 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 55400 11080 50.444 -36109 5528.7 -41637 -41637 -0.0096577 0.62884 0.083814 87787 2023-04-07 14:04:12,586 INFO [main.py:643]
{rank 0/100} MD step = 55500 step time: 00:00:00.017962 Performance: 123.845 ns/day 0.194 hours/ns 7.167 steps/s 2023-04-07 14:04:25,728 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 55500 11100 50.558 -36224 5541.2 -41765 -41765 -0.011486 0.6309 0.085586 87932 2023-04-07 14:04:27,622 INFO [main.py:643]
{rank 0/100} MD step = 55600 step time: 00:00:00.018046 Performance: 123.828 ns/day 0.194 hours/ns 7.166 steps/s 2023-04-07 14:04:28,725 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 55600 11120 49.856 -36202 5464.3 -41666 -41666 -0.009572 0.63066 0.085976 88118 2023-04-07 14:04:30,583 INFO [main.py:643]
{rank 0/100} MD step = 55700 step time: 00:00:00.017911 Performance: 124.003 ns/day 0.194 hours/ns 7.176 steps/s 2023-04-07 14:04:38,613 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 55700 11140 50.338 -36095 5517.1 -41612 -41612 -0.0072385 0.63132 0.087081 88297 2023-04-07 14:04:40,481 INFO [main.py:643]
{rank 0/100} MD step = 55800 step time: 00:00:00.018018 Performance: 124.068 ns/day 0.193 hours/ns 7.180 steps/s 2023-04-07 14:04:45,345 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 55800 11160 49.264 -36209 5399.3 -41608 -41608 -0.0072195 0.63274 0.085833 88452 2023-04-07 14:04:47,162 INFO [main.py:643]
{rank 0/100} MD step = 55900 step time: 00:00:00.017940 Performance: 124.183 ns/day 0.193 hours/ns 7.187 steps/s 2023-04-07 14:04:57,703 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 55900 11180 50.671 -36087 5553.6 -41640 -41640 -0.0056813 0.6336 0.086729 88612 2023-04-07 14:04:59,541 INFO [main.py:643]
{rank 0/100} MD step = 56000 step time: 00:00:00.018205 Performance: 124.208 ns/day 0.193 hours/ns 7.188 steps/s 2023-04-07 14:05:04,509 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 56000 11200 49.619 -36276 5438.3 -41715 -41715 -0.0028478 0.63499 0.087138 88777 2023-04-07 14:05:06,401 INFO [main.py:643]
{rank 0/100} MD step = 56100 step time: 00:00:00.018092 Performance: 124.320 ns/day 0.193 hours/ns 7.194 steps/s 2023-04-07 14:05:10,803 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 56100 11220 50.358 -36200 5519.3 -41720 -41720 -0.00019049 0.63573 0.086324 88945 2023-04-07 14:05:12,743 INFO [main.py:643]
{rank 0/100} MD step = 56200 step time: 00:00:00.017995 Performance: 124.440 ns/day 0.193 hours/ns 7.201 steps/s 2023-04-07 14:05:13,864 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 56200 11240 50.176 -36134 5499.3 -41633 -41633 0.0026287 0.63508 0.087372 89105 2023-04-07 14:05:15,790 INFO [main.py:643]
{rank 0/100} MD step = 56300 step time: 00:00:00.018118 Performance: 124.613 ns/day 0.193 hours/ns 7.211 steps/s 2023-04-07 14:05:21,061 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 56300 11260 50.516 -36104 5536.6 -41641 -41641 0.0046098 0.63619 0.086329 89283 2023-04-07 14:05:22,953 INFO [main.py:643]
{rank 0/100} MD step = 56400 step time: 00:00:00.018084 Performance: 124.720 ns/day 0.192 hours/ns 7.218 steps/s 2023-04-07 14:05:30,225 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 56400 11280 49.915 -36251 5470.7 -41722 -41722 0.0051622 0.63805 0.086262 89474 2023-04-07 14:05:32,225 INFO [main.py:643]
{rank 0/100} MD step = 56500 step time: 00:00:00.018076 Performance: 124.793 ns/day 0.192 hours/ns 7.222 steps/s 2023-04-07 14:05:40,401 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 56500 11300 50.535 -36125 5538.7 -41664 -41664 0.0053051 0.64 0.084538 89624 2023-04-07 14:05:42,264 INFO [main.py:643]
{rank 0/100} MD step = 56600 step time: 00:00:00.017972 Performance: 124.854 ns/day 0.192 hours/ns 7.225 steps/s 2023-04-07 14:06:08,226 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 56600 11320 50.162 -36183 5497.8 -41681 -41681 0.0064289 0.64164 0.084233 89799 2023-04-07 14:06:10,207 INFO [main.py:643]
{rank 0/100} MD step = 56700 step time: 00:00:00.017964 Performance: 124.630 ns/day 0.193 hours/ns 7.212 steps/s 2023-04-07 14:06:27,753 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 56700 11340 50.376 -36141 5521.3 -41663 -41663 0.0080766 0.64103 0.085262 89958 2023-04-07 14:06:29,682 INFO [main.py:643]
{rank 0/100} MD step = 56800 step time: 00:00:00.017981 Performance: 124.541 ns/day 0.193 hours/ns 7.207 steps/s 2023-04-07 14:06:42,815 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 56800 11360 50.242 -36263 5506.6 -41770 -41770 0.0081433 0.64122 0.08751 90103 2023-04-07 14:06:44,736 INFO [main.py:643]
{rank 0/100} MD step = 56900 step time: 00:00:00.017966 Performance: 124.522 ns/day 0.193 hours/ns 7.206 steps/s 2023-04-07 14:07:01,995 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 56900 11380 50.614 -36174 5547.3 -41721 -41721 0.0073337 0.64165 0.088762 90274 2023-04-07 14:07:03,940 INFO [main.py:643]
{rank 0/100} MD step = 57000 step time: 00:00:00.017980 Performance: 124.439 ns/day 0.193 hours/ns 7.201 steps/s 2023-04-07 14:07:09,117 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 57000 11400 50.173 -36141 5499 -41640 -41640 0.010298 0.64282 0.087919 90434 2023-04-07 14:07:10,976 INFO [main.py:643]
{rank 0/100} MD step = 57100 step time: 00:00:00.017918 Performance: 124.546 ns/day 0.193 hours/ns 7.208 steps/s 2023-04-07 14:07:20,435 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 57100 11420 49.457 -36289 5420.6 -41710 -41710 0.011886 0.6444 0.088234 90560 2023-04-07 14:07:22,286 INFO [main.py:643]
{rank 0/100} MD step = 57200 step time: 00:00:00.018387 Performance: 124.586 ns/day 0.193 hours/ns 7.210 steps/s 2023-04-07 14:07:42,888 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 57200 11440 50.265 -36143 5509.2 -41652 -41652 0.014913 0.64408 0.087738 90724 2023-04-07 14:07:44,883 INFO [main.py:643]
{rank 0/100} MD step = 57300 step time: 00:00:00.018007 Performance: 124.450 ns/day 0.193 hours/ns 7.202 steps/s 2023-04-07 14:07:58,255 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 57300 11460 49.728 -36221 5450.2 -41671 -41671 0.014596 0.64426 0.086329 90912 2023-04-07 14:08:00,099 INFO [main.py:643]
{rank 0/100} MD step = 57400 step time: 00:00:00.018081 Performance: 124.429 ns/day 0.193 hours/ns 7.201 steps/s 2023-04-07 14:08:08,424 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 57400 11480 50.381 -36154 5521.8 -41675 -41675 0.019525 0.64532 0.084795 91105 2023-04-07 14:08:10,265 INFO [main.py:643]
{rank 0/100} MD step = 57500 step time: 00:00:00.017891 Performance: 124.487 ns/day 0.193 hours/ns 7.204 steps/s 2023-04-07 14:08:13,566 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 57500 11500 49.568 -36230 5432.7 -41663 -41663 0.020334 0.64648 0.08489 91278 2023-04-07 14:08:15,455 INFO [main.py:643]
{rank 0/100} MD step = 57600 step time: 00:00:00.018108 Performance: 124.623 ns/day 0.193 hours/ns 7.212 steps/s 2023-04-07 14:08:23,961 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 57600 11520 50.162 -36166 5497.8 -41663 -41663 0.023354 0.64807 0.083433 91447 2023-04-07 14:08:25,818 INFO [main.py:643]
{rank 0/100} MD step = 57700 step time: 00:00:00.018091 Performance: 124.677 ns/day 0.192 hours/ns 7.215 steps/s 2023-04-07 14:08:34,351 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 57700 11540 50.166 -36189 5498.3 -41687 -41687 0.025468 0.64859 0.083967 91606 2023-04-07 14:08:36,275 INFO [main.py:643]
{rank 0/100} MD step = 57800 step time: 00:00:00.017861 Performance: 124.730 ns/day 0.192 hours/ns 7.218 steps/s 2023-04-07 14:08:45,600 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 57800 11560 49.769 -36265 5454.8 -41720 -41720 0.029887 0.64836 0.083767 91778 2023-04-07 14:08:47,495 INFO [main.py:643]
{rank 0/100} MD step = 57900 step time: 00:00:00.018020 Performance: 124.771 ns/day 0.192 hours/ns 7.221 steps/s 2023-04-07 14:09:04,525 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 57900 11580 50.02 -36218 5482.3 -41701 -41701 0.031216 0.64868 0.083224 91957 2023-04-07 14:09:10,336 INFO [main.py:643]
{rank 0/100} MD step = 58000 step time: 00:00:00.018054 Performance: 124.632 ns/day 0.193 hours/ns 7.212 steps/s 2023-04-07 14:09:28,161 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 58000 11600 49.861 -36147 5464.8 -41611 -41611 0.032516 0.64798 0.084457 92121 2023-04-07 14:09:30,068 INFO [main.py:643]
{rank 0/100} MD step = 58100 step time: 00:00:00.017897 Performance: 124.541 ns/day 0.193 hours/ns 7.207 steps/s 2023-04-07 14:09:43,168 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 58100 11620 49.888 -36203 5467.8 -41671 -41671 0.031735 0.64922 0.083824 92304 2023-04-07 14:09:45,100 INFO [main.py:643]
{rank 0/100} MD step = 58200 step time: 00:00:00.018192 Performance: 124.523 ns/day 0.193 hours/ns 7.206 steps/s 2023-04-07 14:09:54,016 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 58200 11640 50.468 -36075 5531.4 -41606 -41606 0.034192 0.64941 0.084824 92467 2023-04-07 14:09:55,848 INFO [main.py:643]
{rank 0/100} MD step = 58300 step time: 00:00:00.018014 Performance: 124.571 ns/day 0.193 hours/ns 7.209 steps/s 2023-04-07 14:10:12,950 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 58300 11660 50.467 -36117 5531.2 -41648 -41648 0.036669 0.65025 0.086329 92612 2023-04-07 14:10:14,935 INFO [main.py:643]
{rank 0/100} MD step = 58400 step time: 00:00:00.017989 Performance: 124.491 ns/day 0.193 hours/ns 7.204 steps/s 2023-04-07 14:10:19,599 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 58400 11680 50.342 -36222 5517.6 -41739 -41739 0.041279 0.6524 0.087643 92765 2023-04-07 14:10:21,481 INFO [main.py:643]
{rank 0/100} MD step = 58500 step time: 00:00:00.018252 Performance: 124.604 ns/day 0.193 hours/ns 7.211 steps/s 2023-04-07 14:10:37,525 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 58500 11700 49.854 -36261 5464.1 -41725 -41725 0.041879 0.653 0.086738 92917 2023-04-07 14:10:39,391 INFO [main.py:643]
{rank 0/100} MD step = 58600 step time: 00:00:00.018034 Performance: 124.542 ns/day 0.193 hours/ns 7.207 steps/s 2023-04-07 14:10:56,558 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 58600 11720 49.249 -36341 5397.8 -41739 -41739 0.044241 0.65375 0.087091 93059 2023-04-07 14:10:58,512 INFO [main.py:643]
{rank 0/100} MD step = 58700 step time: 00:00:00.018271 Performance: 124.461 ns/day 0.193 hours/ns 7.203 steps/s 2023-04-07 14:11:26,221 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 58700 11740 51.56 -36076 5651 -41727 -41727 0.045945 0.65343 0.086614 93238 2023-04-07 14:11:28,193 INFO [main.py:643]
{rank 0/100} MD step = 58800 step time: 00:00:00.018020 Performance: 124.221 ns/day 0.193 hours/ns 7.189 steps/s 2023-04-07 14:11:45,727 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 58800 11760 49.404 -36154 5414.7 -41568 -41568 0.047336 0.65491 0.087662 93410 2023-04-07 14:11:47,634 INFO [main.py:643]
{rank 0/100} MD step = 58900 step time: 00:00:00.017939 Performance: 124.137 ns/day 0.193 hours/ns 7.184 steps/s 2023-04-07 14:12:01,944 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 58900 11780 50.685 -36057 5555.1 -41612 -41612 0.047317 0.65648 0.088005 93581 2023-04-07 14:12:03,844 INFO [main.py:643]
{rank 0/100} MD step = 59000 step time: 00:00:00.017991 Performance: 124.103 ns/day 0.193 hours/ns 7.182 steps/s 2023-04-07 14:12:11,506 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 59000 11800 50.291 -36108 5512 -41620 -41620 0.050746 0.65794 0.089396 93759 2023-04-07 14:12:13,418 INFO [main.py:643]
{rank 0/100} MD step = 59100 step time: 00:00:00.017905 Performance: 124.168 ns/day 0.193 hours/ns 7.186 steps/s 2023-04-07 14:12:24,195 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 59100 11820 49.545 -36175 5430.2 -41606 -41606 0.050631 0.65928 0.089091 93923 2023-04-07 14:12:26,058 INFO [main.py:643]
{rank 0/100} MD step = 59200 step time: 00:00:00.018080 Performance: 124.188 ns/day 0.193 hours/ns 7.187 steps/s 2023-04-07 14:12:27,291 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 59200 11840 49.445 -36298 5419.2 -41718 -41718 0.053355 0.65945 0.090138 94071 2023-04-07 14:12:32,272 INFO [main.py:643]
{rank 0/100} MD step = 59300 step time: 00:00:00.018079 Performance: 124.304 ns/day 0.193 hours/ns 7.193 steps/s 2023-04-07 14:12:45,946 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 59300 11860 49.808 -36320 5459 -41779 -41779 0.052708 0.66069 0.089948 94188 2023-04-07 14:12:47,788 INFO [main.py:643]
{rank 0/100} MD step = 59400 step time: 00:00:00.019876 Performance: 124.279 ns/day 0.193 hours/ns 7.192 steps/s 2023-04-07 14:13:00,687 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 59400 11880 50.29 -36276 5511.9 -41788 -41788 0.051651 0.66185 0.090629 94376 2023-04-07 14:13:02,648 INFO [main.py:643]
{rank 0/100} MD step = 59500 step time: 00:00:00.018039 Performance: 124.265 ns/day 0.193 hours/ns 7.191 steps/s 2023-04-07 14:13:20,077 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 59500 11900 50.153 -36164 5496.9 -41661 -41661 0.050755 0.66238 0.090596 94540 2023-04-07 14:13:22,163 INFO [main.py:643]
{rank 0/100} MD step = 59600 step time: 00:00:00.018068 Performance: 124.181 ns/day 0.193 hours/ns 7.186 steps/s 2023-04-07 14:13:27,089 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 59600 11920 49.767 -36254 5454.6 -41709 -41709 0.053108 0.66307 0.091243 94713 2023-04-07 14:13:32,440 INFO [main.py:643]
{rank 0/100} MD step = 59700 step time: 00:00:00.018003 Performance: 124.235 ns/day 0.193 hours/ns 7.190 steps/s 2023-04-07 14:13:50,976 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 59700 11940 49.801 -36262 5458.2 -41720 -41720 0.057184 0.66253 0.092996 94871 2023-04-07 14:13:55,938 INFO [main.py:643]
{rank 0/100} MD step = 59800 step time: 00:00:00.017978 Performance: 124.092 ns/day 0.193 hours/ns 7.181 steps/s 2023-04-07 14:14:05,337 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 59800 11960 49.988 -36263 5478.8 -41742 -41742 0.059508 0.6627 0.094958 95032 2023-04-07 14:14:07,339 INFO [main.py:643]
{rank 0/100} MD step = 59900 step time: 00:00:00.018012 Performance: 124.130 ns/day 0.193 hours/ns 7.183 steps/s 2023-04-07 14:14:11,579 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 59900 11980 50.278 -36213 5510.5 -41723 -41723 0.060937 0.66278 0.095067 95161 2023-04-07 14:14:13,470 INFO [main.py:643]
{rank 0/100} MD step = 60000 step time: 00:00:00.017912 Performance: 124.246 ns/day 0.193 hours/ns 7.190 steps/s 2023-04-07 14:14:44,464 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 60000 12000 49.98 -36244 5477.8 -41722 -41722 0.061742 0.66421 0.095043 95310 2023-04-07 14:14:46,304 INFO [main.py:643]
{rank 0/100} MD step = 60100 step time: 00:00:00.017951 Performance: 123.965 ns/day 0.194 hours/ns 7.174 steps/s 2023-04-07 14:14:58,774 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 60100 12020 49.861 -36193 5464.8 -41658 -41658 0.063482 0.66569 0.095472 95467 2023-04-07 14:15:00,609 INFO [main.py:643]
{rank 0/100} MD step = 60200 step time: 00:00:00.017970 Performance: 123.960 ns/day 0.194 hours/ns 7.174 steps/s 2023-04-07 14:15:09,345 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 60200 12040 50.007 -36219 5480.9 -41700 -41700 0.064216 0.66616 0.095429 95614 2023-04-07 14:15:11,305 INFO [main.py:643]
{rank 0/100} MD step = 60300 step time: 00:00:00.019387 Performance: 124.007 ns/day 0.194 hours/ns 7.176 steps/s 2023-04-07 14:15:50,318 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 60300 12060 49.856 -36294 5464.3 -41758 -41758 0.066851 0.66805 0.094776 95768 2023-04-07 14:15:52,271 INFO [main.py:643]
{rank 0/100} MD step = 60400 step time: 00:00:00.018111 Performance: 123.610 ns/day 0.194 hours/ns 7.153 steps/s 2023-04-07 14:16:01,398 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 60400 12080 49.988 -36206 5478.8 -41685 -41685 0.06767 0.66792 0.096367 95957 2023-04-07 14:16:03,384 INFO [main.py:643]
{rank 0/100} MD step = 60500 step time: 00:00:00.018085 Performance: 123.652 ns/day 0.194 hours/ns 7.156 steps/s 2023-04-07 14:16:13,476 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 60500 12100 50.211 -36256 5503.2 -41760 -41760 0.065432 0.66883 0.095453 96104 2023-04-07 14:16:15,383 INFO [main.py:643]
{rank 0/100} MD step = 60600 step time: 00:00:00.018026 Performance: 123.681 ns/day 0.194 hours/ns 7.157 steps/s 2023-04-07 14:16:26,928 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 60600 12120 50.529 -36161 5538 -41699 -41699 0.064194 0.66996 0.095658 96295 2023-04-07 14:16:28,872 INFO [main.py:643]
{rank 0/100} MD step = 60700 step time: 00:00:00.017967 Performance: 123.688 ns/day 0.194 hours/ns 7.158 steps/s 2023-04-07 14:16:29,968 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 60700 12140 49.56 -36231 5431.8 -41663 -41663 0.065356 0.67078 0.094739 96467 2023-04-07 14:16:31,968 INFO [main.py:643]
{rank 0/100} MD step = 60800 step time: 00:00:00.017861 Performance: 123.847 ns/day 0.194 hours/ns 7.167 steps/s 2023-04-07 14:16:44,020 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 60800 12160 49.899 -36168 5468.9 -41637 -41637 0.067023 0.67194 0.095986 96607 2023-04-07 14:16:45,972 INFO [main.py:643]
{rank 0/100} MD step = 60900 step time: 00:00:00.018106 Performance: 123.846 ns/day 0.194 hours/ns 7.167 steps/s 2023-04-07 14:16:54,515 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 60900 12180 50.359 -36151 5519.4 -41670 -41670 0.06949 0.6733 0.095339 96781 2023-04-07 14:16:56,730 INFO [main.py:643]
{rank 0/100} MD step = 61000 step time: 00:00:00.017786 Performance: 123.893 ns/day 0.194 hours/ns 7.170 steps/s 2023-04-07 14:17:09,804 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 61000 12200 49.968 -36245 5476.6 -41722 -41722 0.07308 0.67379 0.096044 96916 2023-04-07 14:17:11,629 INFO [main.py:643]
{rank 0/100} MD step = 61100 step time: 00:00:00.018043 Performance: 123.879 ns/day 0.194 hours/ns 7.169 steps/s 2023-04-07 14:17:16,203 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 61100 12220 49.857 -36233 5464.4 -41697 -41697 0.075061 0.67396 0.096767 97084 2023-04-07 14:17:22,549 INFO [main.py:643]
{rank 0/100} MD step = 61200 step time: 00:00:00.017953 Performance: 123.923 ns/day 0.194 hours/ns 7.171 steps/s 2023-04-07 14:17:32,484 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 61200 12240 49.708 -36275 5448 -41723 -41723 0.076423 0.67524 0.096867 97218 2023-04-07 14:17:34,323 INFO [main.py:643]
{rank 0/100} MD step = 61300 step time: 00:00:00.018008 Performance: 123.954 ns/day 0.194 hours/ns 7.173 steps/s 2023-04-07 14:17:44,314 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 61300 12260 50.56 -36163 5541.4 -41705 -41705 0.077966 0.67713 0.098186 97379 2023-04-07 14:17:46,166 INFO [main.py:643]
{rank 0/100} MD step = 61400 step time: 00:00:00.018044 Performance: 123.985 ns/day 0.194 hours/ns 7.175 steps/s 2023-04-07 14:18:03,608 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 61400 12280 49.729 -36273 5450.4 -41723 -41723 0.082024 0.67851 0.099663 97562 2023-04-07 14:18:05,506 INFO [main.py:643]
{rank 0/100} MD step = 61500 step time: 00:00:00.018071 Performance: 123.906 ns/day 0.194 hours/ns 7.171 steps/s 2023-04-07 14:18:18,949 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 61500 12300 49.293 -36245 5402.6 -41647 -41647 0.084733 0.67891 0.099934 97728 2023-04-07 14:18:20,819 INFO [main.py:643]
{rank 0/100} MD step = 61600 step time: 00:00:00.018989 Performance: 123.887 ns/day 0.194 hours/ns 7.169 steps/s 2023-04-07 14:18:29,485 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 61600 12320 50.003 -36146 5480.4 -41626 -41626 0.086119 0.68008 0.10187 97862 2023-04-07 14:18:31,496 INFO [main.py:643]
{rank 0/100} MD step = 61700 step time: 00:00:00.017876 Performance: 123.934 ns/day 0.194 hours/ns 7.172 steps/s 2023-04-07 14:18:32,785 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 61700 12340 49.939 -36338 5473.4 -41811 -41811 0.087624 0.68086 0.10208 98008 2023-04-07 14:18:34,613 INFO [main.py:643]
{rank 0/100} MD step = 61800 step time: 00:00:00.017968 Performance: 124.090 ns/day 0.193 hours/ns 7.181 steps/s 2023-04-07 14:18:42,458 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 61800 12360 49.495 -36272 5424.7 -41697 -41697 0.087129 0.67945 0.10172 98188 2023-04-07 14:18:44,441 INFO [main.py:643]
{rank 0/100} MD step = 61900 step time: 00:00:00.017970 Performance: 124.149 ns/day 0.193 hours/ns 7.185 steps/s 2023-04-07 14:19:01,435 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 61900 12380 50.028 -36078 5483.1 -41561 -41561 0.090215 0.68032 0.10126 98378 2023-04-07 14:19:03,310 INFO [main.py:643]
{rank 0/100} MD step = 62000 step time: 00:00:00.018490 Performance: 124.078 ns/day 0.193 hours/ns 7.180 steps/s 2023-04-07 14:19:04,458 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 62000 12400 50.706 -36202 5557.4 -41760 -41760 0.091386 0.67983 0.099968 98500 2023-04-07 14:19:06,343 INFO [main.py:643]
{rank 0/100} MD step = 62100 step time: 00:00:00.017831 Performance: 124.234 ns/day 0.193 hours/ns 7.189 steps/s 2023-04-07 14:19:40,560 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 62100 12420 50.211 -36138 5503.2 -41641 -41641 0.092691 0.68074 0.099577 98669 2023-04-07 14:19:42,364 INFO [main.py:643]
{rank 0/100} MD step = 62200 step time: 00:00:00.018015 Performance: 123.917 ns/day 0.194 hours/ns 7.171 steps/s 2023-04-07 14:19:50,999 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 62200 12440 49.601 -36231 5436.3 -41667 -41667 0.094101 0.68191 0.099396 98836 2023-04-07 14:19:52,981 INFO [main.py:643]
{rank 0/100} MD step = 62300 step time: 00:00:00.017913 Performance: 123.965 ns/day 0.194 hours/ns 7.174 steps/s 2023-04-07 14:20:00,377 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 62300 12460 49.807 -36190 5458.9 -41649 -41649 0.091796 0.68319 0.10009 99014 2023-04-07 14:20:02,523 INFO [main.py:643]
{rank 0/100} MD step = 62400 step time: 00:00:00.017995 Performance: 124.028 ns/day 0.194 hours/ns 7.178 steps/s 2023-04-07 14:20:10,419 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 62400 12480 50.5 -36200 5534.8 -41735 -41735 0.092519 0.68438 0.10132 99171 2023-04-07 14:20:12,267 INFO [main.py:643]
{rank 0/100} MD step = 62500 step time: 00:00:00.017977 Performance: 124.087 ns/day 0.193 hours/ns 7.181 steps/s 2023-04-07 14:20:13,380 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 62500 12500 49.822 -36248 5460.5 -41708 -41708 0.092186 0.68554 0.10134 99331 2023-04-07 14:20:15,442 INFO [main.py:643]
{rank 0/100} MD step = 62600 step time: 00:00:00.017830 Performance: 124.240 ns/day 0.193 hours/ns 7.190 steps/s 2023-04-07 14:20:31,630 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 62600 12520 49.803 -36179 5458.5 -41637 -41637 0.092834 0.68619 0.10332 99505 2023-04-07 14:20:33,679 INFO [main.py:643]
{rank 0/100} MD step = 62700 step time: 00:00:00.018013 Performance: 124.179 ns/day 0.193 hours/ns 7.186 steps/s 2023-04-07 14:20:51,427 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 62700 12540 49.748 -36152 5452.5 -41605 -41605 0.089681 0.68884 0.10364 99688 2023-04-07 14:20:53,255 INFO [main.py:643]
{rank 0/100} MD step = 62800 step time: 00:00:00.018072 Performance: 124.098 ns/day 0.193 hours/ns 7.182 steps/s 2023-04-07 14:20:57,449 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 62800 12560 50.701 -36270 5556.9 -41827 -41827 0.093815 0.68907 0.10407 99768 2023-04-07 14:20:59,407 INFO [main.py:643]
{rank 0/100} MD step = 62900 step time: 00:00:00.018161 Performance: 124.209 ns/day 0.193 hours/ns 7.188 steps/s 2023-04-07 14:21:12,684 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 62900 12580 49.919 -36239 5471.2 -41710 -41710 0.097148 0.68877 0.10431 99942 2023-04-07 14:21:14,624 INFO [main.py:643]
{rank 0/100} MD step = 63000 step time: 00:00:00.018037 Performance: 124.190 ns/day 0.193 hours/ns 7.187 steps/s 2023-04-07 14:21:23,121 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 63000 12600 49.492 -36233 5424.4 -41657 -41657 0.096548 0.68922 0.10473 1.0013e+05 2023-04-07 14:21:25,093 INFO [main.py:643]
{rank 0/100} MD step = 63100 step time: 00:00:00.018047 Performance: 124.239 ns/day 0.193 hours/ns 7.190 steps/s 2023-04-07 14:21:33,741 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 63100 12620 50.386 -36142 5522.3 -41664 -41664 0.095872 0.69123 0.10563 1.0027e+05 2023-04-07 14:21:35,676 INFO [main.py:643]
{rank 0/100} MD step = 63200 step time: 00:00:00.018066 Performance: 124.286 ns/day 0.193 hours/ns 7.192 steps/s 2023-04-07 14:21:48,865 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 63200 12640 50.333 -36235 5516.5 -41751 -41751 0.097967 0.69067 0.1062 1.004e+05 2023-04-07 14:21:50,661 INFO [main.py:643]
{rank 0/100} MD step = 63300 step time: 00:00:00.018046 Performance: 124.271 ns/day 0.193 hours/ns 7.192 steps/s 2023-04-07 14:22:03,993 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 63300 12660 49.088 -36306 5380.1 -41686 -41686 0.098501 0.68997 0.10604 1.0056e+05 2023-04-07 14:22:05,831 INFO [main.py:643]
{rank 0/100} MD step = 63400 step time: 00:00:00.017932 Performance: 124.253 ns/day 0.193 hours/ns 7.191 steps/s 2023-04-07 14:22:27,559 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 63400 12680 50.335 -36184 5516.8 -41700 -41700 0.099206 0.68945 0.10691 1.0072e+05 2023-04-07 14:22:29,462 INFO [main.py:643]
{rank 0/100} MD step = 63500 step time: 00:00:00.018409 Performance: 124.116 ns/day 0.193 hours/ns 7.183 steps/s 2023-04-07 14:22:55,546 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 63500 12700 49.172 -36394 5389.4 -41783 -41783 0.099825 0.68965 0.1074 1.0085e+05 2023-04-07 14:22:57,381 INFO [main.py:643]
{rank 0/100} MD step = 63600 step time: 00:00:00.017902 Performance: 123.920 ns/day 0.194 hours/ns 7.171 steps/s 2023-04-07 14:23:11,008 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 63600 12720 49.727 -36335 5450.2 -41785 -41785 0.10263 0.68811 0.10879 1.01e+05 2023-04-07 14:23:12,883 INFO [main.py:643]
{rank 0/100} MD step = 63700 step time: 00:00:00.017956 Performance: 123.899 ns/day 0.194 hours/ns 7.170 steps/s 2023-04-07 14:23:21,696 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 63700 12740 49.55 -36247 5430.8 -41678 -41678 0.10469 0.68889 0.10849 1.012e+05 2023-04-07 14:23:23,643 INFO [main.py:643]
{rank 0/100} MD step = 63800 step time: 00:00:00.017995 Performance: 123.943 ns/day 0.194 hours/ns 7.173 steps/s 2023-04-07 14:23:36,358 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 63800 12760 49.682 -36278 5445.2 -41724 -41724 0.10658 0.69059 0.10852 1.0133e+05 2023-04-07 14:23:38,219 INFO [main.py:643]
{rank 0/100} MD step = 63900 step time: 00:00:00.017901 Performance: 123.934 ns/day 0.194 hours/ns 7.172 steps/s 2023-04-07 14:23:42,954 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 63900 12780 50.258 -36279 5508.3 -41788 -41788 0.10743 0.69112 0.1086 1.015e+05 2023-04-07 14:23:44,821 INFO [main.py:643]
{rank 0/100} MD step = 64000 step time: 00:00:00.018015 Performance: 124.036 ns/day 0.193 hours/ns 7.178 steps/s 2023-04-07 14:23:49,879 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 64000 12800 50.605 -36228 5546.4 -41774 -41774 0.1101 0.69314 0.1086 1.0165e+05 2023-04-07 14:23:51,841 INFO [main.py:643]
{rank 0/100} MD step = 64100 step time: 00:00:00.018118 Performance: 124.132 ns/day 0.193 hours/ns 7.184 steps/s 2023-04-07 14:24:04,047 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 64100 12820 49.194 -36204 5391.7 -41596 -41596 0.11196 0.69509 0.1085 1.0185e+05 2023-04-07 14:24:05,899 INFO [main.py:643]
{rank 0/100} MD step = 64200 step time: 00:00:00.018160 Performance: 124.130 ns/day 0.193 hours/ns 7.183 steps/s 2023-04-07 14:24:17,409 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 64200 12840 49.732 -36265 5450.7 -41716 -41716 0.11489 0.6968 0.10823 1.02e+05 2023-04-07 14:24:19,331 INFO [main.py:643]
{rank 0/100} MD step = 64300 step time: 00:00:00.017936 Performance: 124.137 ns/day 0.193 hours/ns 7.184 steps/s 2023-04-07 14:24:40,915 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 64300 12860 50.292 -36142 5512.1 -41654 -41654 0.11636 0.69761 0.10761 1.0216e+05 2023-04-07 14:24:42,754 INFO [main.py:643]
{rank 0/100} MD step = 64400 step time: 00:00:00.017960 Performance: 124.006 ns/day 0.194 hours/ns 7.176 steps/s 2023-04-07 14:25:00,269 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 64400 12880 50.366 -36189 5520.1 -41709 -41709 0.11963 0.6985 0.10704 1.0234e+05 2023-04-07 14:25:02,174 INFO [main.py:643]
{rank 0/100} MD step = 64500 step time: 00:00:00.018062 Performance: 123.930 ns/day 0.194 hours/ns 7.172 steps/s 2023-04-07 14:25:19,422 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 64500 12900 49.86 -36203 5464.7 -41668 -41668 0.12067 0.69987 0.10568 1.0249e+05 2023-04-07 14:25:21,477 INFO [main.py:643]
{rank 0/100} MD step = 64600 step time: 00:00:00.018220 Performance: 123.856 ns/day 0.194 hours/ns 7.168 steps/s 2023-04-07 14:25:42,791 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 64600 12920 50.32 -36032 5515.1 -41547 -41547 0.12129 0.70111 0.10557 1.0269e+05 2023-04-07 14:25:44,738 INFO [main.py:643]
{rank 0/100} MD step = 64700 step time: 00:00:00.018044 Performance: 123.729 ns/day 0.194 hours/ns 7.160 steps/s 2023-04-07 14:26:06,701 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 64700 12940 50.033 -36208 5483.7 -41692 -41692 0.12176 0.70233 0.10505 1.0284e+05 2023-04-07 14:26:08,655 INFO [main.py:643]
{rank 0/100} MD step = 64800 step time: 00:00:00.017998 Performance: 123.593 ns/day 0.194 hours/ns 7.152 steps/s 2023-04-07 14:26:34,428 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 64800 12960 49.592 -36213 5435.3 -41649 -41649 0.12176 0.70166 0.10721 1.0301e+05 2023-04-07 14:26:36,529 INFO [main.py:643]
{rank 0/100} MD step = 64900 step time: 00:00:00.017975 Performance: 123.404 ns/day 0.194 hours/ns 7.141 steps/s 2023-04-07 14:26:49,678 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 64900 12980 50.445 -36153 5528.8 -41682 -41682 0.12332 0.70263 0.10766 1.032e+05 2023-04-07 14:26:51,545 INFO [main.py:643]
{rank 0/100} MD step = 65000 step time: 00:00:00.017854 Performance: 123.390 ns/day 0.195 hours/ns 7.141 steps/s 2023-04-07 14:27:00,669 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 65000 13000 49.607 -36200 5436.9 -41637 -41637 0.12601 0.70197 0.10742 1.0335e+05 2023-04-07 14:27:02,658 INFO [main.py:643]
{rank 0/100} MD step = 65100 step time: 00:00:00.018005 Performance: 123.429 ns/day 0.194 hours/ns 7.143 steps/s 2023-04-07 14:27:11,165 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 65100 13020 49.721 -36282 5449.5 -41731 -41731 0.12721 0.70408 0.10757 1.0349e+05 2023-04-07 14:27:13,110 INFO [main.py:643]
{rank 0/100} MD step = 65200 step time: 00:00:00.017937 Performance: 123.477 ns/day 0.194 hours/ns 7.146 steps/s 2023-04-07 14:27:21,578 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 65200 13040 50.583 -36153 5543.9 -41697 -41697 0.12732 0.70519 0.10666 1.0367e+05 2023-04-07 14:27:23,459 INFO [main.py:643]
{rank 0/100} MD step = 65300 step time: 00:00:00.017836 Performance: 123.527 ns/day 0.194 hours/ns 7.149 steps/s 2023-04-07 14:27:30,947 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 65300 13060 50.369 -36237 5520.5 -41758 -41758 0.12877 0.7056 0.10662 1.0381e+05 2023-04-07 14:27:32,761 INFO [main.py:643]
{rank 0/100} MD step = 65400 step time: 00:00:00.017905 Performance: 123.590 ns/day 0.194 hours/ns 7.152 steps/s 2023-04-07 14:27:53,802 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 65400 13080 50.555 -36113 5540.8 -41653 -41653 0.13226 0.70512 0.1073 1.0398e+05 2023-04-07 14:27:55,728 INFO [main.py:643]
{rank 0/100} MD step = 65500 step time: 00:00:00.018271 Performance: 123.469 ns/day 0.194 hours/ns 7.145 steps/s 2023-04-07 14:28:09,067 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 65500 13100 49.821 -36217 5460.4 -41677 -41677 0.1318 0.7057 0.10892 1.0413e+05 2023-04-07 14:28:10,890 INFO [main.py:643]
{rank 0/100} MD step = 65600 step time: 00:00:00.017893 Performance: 123.453 ns/day 0.194 hours/ns 7.144 steps/s 2023-04-07 14:28:19,854 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 65600 13120 49.223 -36267 5394.9 -41662 -41662 0.1331 0.70676 0.10845 1.0426e+05 2023-04-07 14:28:21,820 INFO [main.py:643]
{rank 0/100} MD step = 65700 step time: 00:00:00.017989 Performance: 123.494 ns/day 0.194 hours/ns 7.147 steps/s 2023-04-07 14:28:34,690 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 65700 13140 50.219 -36199 5504 -41703 -41703 0.13738 0.70871 0.111 1.0439e+05 2023-04-07 14:28:36,675 INFO [main.py:643]
{rank 0/100} MD step = 65800 step time: 00:00:00.018168 Performance: 123.483 ns/day 0.194 hours/ns 7.146 steps/s 2023-04-07 14:28:50,468 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 65800 13160 51.397 -36064 5633.1 -41697 -41697 0.14041 0.71069 0.11163 1.0456e+05 2023-04-07 14:28:52,284 INFO [main.py:643]
{rank 0/100} MD step = 65900 step time: 00:00:00.018315 Performance: 123.461 ns/day 0.194 hours/ns 7.145 steps/s 2023-04-07 14:29:26,489 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 65900 13180 50.981 -36052 5587.5 -41640 -41640 0.13946 0.7113 0.11176 1.047e+05 2023-04-07 14:29:28,666 INFO [main.py:643]
{rank 0/100} MD step = 66000 step time: 00:00:00.017981 Performance: 123.163 ns/day 0.195 hours/ns 7.127 steps/s 2023-04-07 14:29:37,864 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 66000 13200 50.357 -36312 5519.2 -41831 -41831 0.13976 0.71213 0.11366 1.0487e+05 2023-04-07 14:29:39,744 INFO [main.py:643]
{rank 0/100} MD step = 66100 step time: 00:00:00.018205 Performance: 123.202 ns/day 0.195 hours/ns 7.130 steps/s 2023-04-07 14:30:09,635 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 66100 13220 50.074 -36284 5488.2 -41772 -41772 0.1447 0.71335 0.11368 1.0502e+05 2023-04-07 14:30:11,527 INFO [main.py:643]
{rank 0/100} MD step = 66200 step time: 00:00:00.018059 Performance: 122.967 ns/day 0.195 hours/ns 7.116 steps/s 2023-04-07 14:30:24,459 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 66200 13240 49.75 -36165 5452.7 -41618 -41618 0.14641 0.71242 0.11524 1.0521e+05 2023-04-07 14:30:30,847 INFO [main.py:643]
{rank 0/100} MD step = 66300 step time: 00:00:00.017988 Performance: 122.897 ns/day 0.195 hours/ns 7.112 steps/s 2023-04-07 14:31:01,034 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 66300 13260 49.872 -36252 5466 -41718 -41718 0.14712 0.71128 0.11536 1.0538e+05 2023-04-07 14:31:03,099 INFO [main.py:643]
{rank 0/100} MD step = 66400 step time: 00:00:00.017840 Performance: 122.658 ns/day 0.196 hours/ns 7.098 steps/s 2023-04-07 14:31:10,237 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 66400 13280 49.84 -36265 5462.5 -41728 -41728 0.14822 0.71189 0.11771 1.0554e+05 2023-04-07 14:31:12,456 INFO [main.py:643]
{rank 0/100} MD step = 66500 step time: 00:00:00.017911 Performance: 122.720 ns/day 0.196 hours/ns 7.102 steps/s 2023-04-07 14:31:16,828 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 66500 13300 50.068 -36324 5487.5 -41812 -41812 0.15011 0.71372 0.11755 1.0568e+05 2023-04-07 14:31:18,741 INFO [main.py:643]
{rank 0/100} MD step = 66600 step time: 00:00:00.018115 Performance: 122.822 ns/day 0.195 hours/ns 7.108 steps/s 2023-04-07 14:31:22,741 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 66600 13320 50.4 -36177 5523.9 -41701 -41701 0.15255 0.71564 0.11681 1.0585e+05 2023-04-07 14:31:24,843 INFO [main.py:643]
{rank 0/100} MD step = 66700 step time: 00:00:00.017986 Performance: 122.927 ns/day 0.195 hours/ns 7.114 steps/s 2023-04-07 14:31:41,668 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 66700 13340 50.137 -36270 5495.1 -41766 -41766 0.1522 0.71631 0.11629 1.0597e+05 2023-04-07 14:31:43,873 INFO [main.py:643]
{rank 0/100} MD step = 66800 step time: 00:00:00.018012 Performance: 122.862 ns/day 0.195 hours/ns 7.110 steps/s 2023-04-07 14:31:48,273 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 66800 13360 50.031 -36174 5483.5 -41657 -41657 0.15475 0.71864 0.11606 1.0616e+05 2023-04-07 14:31:50,139 INFO [main.py:643]
{rank 0/100} MD step = 66900 step time: 00:00:00.017987 Performance: 122.963 ns/day 0.195 hours/ns 7.116 steps/s 2023-04-07 14:31:54,478 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 66900 13380 50.775 -36206 5565 -41771 -41771 0.15799 0.71915 0.11564 1.0631e+05 2023-04-07 14:31:56,402 INFO [main.py:643]
{rank 0/100} MD step = 67000 step time: 00:00:00.017959 Performance: 123.065 ns/day 0.195 hours/ns 7.122 steps/s 2023-04-07 14:32:09,518 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 67000 13400 50.285 -36152 5511.3 -41664 -41664 0.15949 0.72124 0.11583 1.065e+05 2023-04-07 14:32:11,462 INFO [main.py:643]
{rank 0/100} MD step = 67100 step time: 00:00:00.018105 Performance: 123.052 ns/day 0.195 hours/ns 7.121 steps/s 2023-04-07 14:32:17,496 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 67100 13420 49.248 -36360 5397.6 -41757 -41757 0.16156 0.72044 0.11444 1.0663e+05 2023-04-07 14:32:19,545 INFO [main.py:643]
{rank 0/100} MD step = 67200 step time: 00:00:00.018060 Performance: 123.130 ns/day 0.195 hours/ns 7.126 steps/s 2023-04-07 14:32:37,492 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 67200 13440 49.816 -36182 5459.9 -41642 -41642 0.16333 0.72263 0.11475 1.0683e+05 2023-04-07 14:32:39,346 INFO [main.py:643]
{rank 0/100} MD step = 67300 step time: 00:00:00.018087 Performance: 123.055 ns/day 0.195 hours/ns 7.121 steps/s 2023-04-07 14:32:44,087 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 67300 13460 50.076 -36226 5488.4 -41715 -41715 0.16567 0.72262 0.11265 1.0696e+05 2023-04-07 14:32:51,121 INFO [main.py:643]
{rank 0/100} MD step = 67400 step time: 00:00:00.018245 Performance: 123.084 ns/day 0.195 hours/ns 7.123 steps/s 2023-04-07 14:32:59,154 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 67400 13480 49.877 -36226 5466.6 -41692 -41692 0.16489 0.72345 0.11363 1.0711e+05 2023-04-07 14:33:01,008 INFO [main.py:643]
{rank 0/100} MD step = 67500 step time: 00:00:00.018013 Performance: 123.138 ns/day 0.195 hours/ns 7.126 steps/s 2023-04-07 14:33:05,379 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 67500 13500 49.704 -36247 5447.6 -41694 -41694 0.16708 0.72431 0.11408 1.0725e+05 2023-04-07 14:33:07,379 INFO [main.py:643]
{rank 0/100} MD step = 67600 step time: 00:00:00.018093 Performance: 123.238 ns/day 0.195 hours/ns 7.132 steps/s 2023-04-07 14:33:11,966 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 67600 13520 50.492 -36119 5534 -41653 -41653 0.16864 0.72555 0.11699 1.074e+05 2023-04-07 14:33:13,862 INFO [main.py:643]
{rank 0/100} MD step = 67700 step time: 00:00:00.017940 Performance: 123.336 ns/day 0.195 hours/ns 7.137 steps/s 2023-04-07 14:33:26,690 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 67700 13540 50.449 -36182 5529.3 -41711 -41711 0.16975 0.72736 0.11723 1.0757e+05 2023-04-07 14:33:29,084 INFO [main.py:643]
{rank 0/100} MD step = 67800 step time: 00:00:00.017830 Performance: 123.320 ns/day 0.195 hours/ns 7.137 steps/s 2023-04-07 14:33:42,099 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 67800 13560 49.973 -36244 5477.1 -41721 -41721 0.16951 0.72965 0.11683 1.0773e+05 2023-04-07 14:33:44,103 INFO [main.py:643]
{rank 0/100} MD step = 67900 step time: 00:00:00.018337 Performance: 123.307 ns/day 0.195 hours/ns 7.136 steps/s 2023-04-07 14:33:52,685 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 67900 13580 49.784 -36257 5456.3 -41714 -41714 0.1709 0.7312 0.11721 1.0791e+05 2023-04-07 14:33:54,637 INFO [main.py:643]
{rank 0/100} MD step = 68000 step time: 00:00:00.018066 Performance: 123.352 ns/day 0.195 hours/ns 7.138 steps/s 2023-04-07 14:33:55,876 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 68000 13600 50.251 -36257 5507.6 -41764 -41764 0.17348 0.73152 0.11867 1.0805e+05 2023-04-07 14:33:57,789 INFO [main.py:643]
{rank 0/100} MD step = 68100 step time: 00:00:00.017967 Performance: 123.492 ns/day 0.194 hours/ns 7.147 steps/s 2023-04-07 14:34:06,828 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 68100 13620 50.21 -36134 5503 -41637 -41637 0.17391 0.7312 0.11885 1.0822e+05 2023-04-07 14:34:08,741 INFO [main.py:643]
{rank 0/100} MD step = 68200 step time: 00:00:00.017888 Performance: 123.532 ns/day 0.194 hours/ns 7.149 steps/s 2023-04-07 14:34:39,893 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 68200 13640 49.938 -36286 5473.2 -41759 -41759 0.17487 0.73412 0.11923 1.0835e+05 2023-04-07 14:34:42,089 INFO [main.py:643]
{rank 0/100} MD step = 68300 step time: 00:00:00.018083 Performance: 123.282 ns/day 0.195 hours/ns 7.134 steps/s 2023-04-07 14:34:47,223 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 68300 13660 49.736 -36270 5451.1 -41721 -41721 0.17599 0.73579 0.12111 1.0854e+05 2023-04-07 14:34:49,086 INFO [main.py:643]
{rank 0/100} MD step = 68400 step time: 00:00:00.018015 Performance: 123.372 ns/day 0.195 hours/ns 7.140 steps/s 2023-04-07 14:34:50,297 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 68400 13680 50.024 -36151 5482.7 -41634 -41634 0.17705 0.73772 0.12111 1.087e+05 2023-04-07 14:34:52,133 INFO [main.py:643]
{rank 0/100} MD step = 68500 step time: 00:00:00.018039 Performance: 123.513 ns/day 0.194 hours/ns 7.148 steps/s 2023-04-07 14:35:01,411 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 68500 13700 48.411 -36297 5305.9 -41602 -41602 0.17959 0.736 0.12204 1.0888e+05 2023-04-07 14:35:03,312 INFO [main.py:643]
{rank 0/100} MD step = 68600 step time: 00:00:00.018008 Performance: 123.550 ns/day 0.194 hours/ns 7.150 steps/s 2023-04-07 14:35:08,039 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 68600 13720 50.091 -36207 5490 -41697 -41697 0.17806 0.73617 0.12227 1.0903e+05 2023-04-07 14:35:09,903 INFO [main.py:643]
{rank 0/100} MD step = 68700 step time: 00:00:00.018044 Performance: 123.645 ns/day 0.194 hours/ns 7.155 steps/s 2023-04-07 14:35:37,062 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 68700 13740 50.175 -36178 5499.3 -41677 -41677 0.17807 0.7361 0.12239 1.0917e+05 2023-04-07 14:35:39,143 INFO [main.py:643]
{rank 0/100} MD step = 68800 step time: 00:00:00.018037 Performance: 123.449 ns/day 0.194 hours/ns 7.144 steps/s 2023-04-07 14:35:47,494 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 68800 13760 49.848 -36263 5463.4 -41726 -41726 0.17897 0.73545 0.12105 1.0931e+05 2023-04-07 14:35:49,426 INFO [main.py:643]
{rank 0/100} MD step = 68900 step time: 00:00:00.017945 Performance: 123.496 ns/day 0.194 hours/ns 7.147 steps/s 2023-04-07 14:36:03,839 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 68900 13780 50.027 -36165 5483 -41648 -41648 0.18092 0.73449 0.12065 1.0948e+05 2023-04-07 14:36:06,952 INFO [main.py:643]
{rank 0/100} MD step = 69000 step time: 00:00:00.018087 Performance: 123.451 ns/day 0.194 hours/ns 7.144 steps/s 2023-04-07 14:36:16,481 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 69000 13800 50.557 -36206 5541.2 -41747 -41747 0.18051 0.73682 0.121 1.0964e+05 2023-04-07 14:36:18,594 INFO [main.py:643]
{rank 0/100} MD step = 69100 step time: 00:00:00.017983 Performance: 123.481 ns/day 0.194 hours/ns 7.146 steps/s 2023-04-07 14:36:23,735 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 69100 13820 49.159 -36382 5387.9 -41770 -41770 0.18587 0.73856 0.12033 1.0979e+05 2023-04-07 14:36:28,883 INFO [main.py:643]
{rank 0/100} MD step = 69200 step time: 00:00:00.018131 Performance: 123.528 ns/day 0.194 hours/ns 7.149 steps/s 2023-04-07 14:36:29,701 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 69200 13840 50.397 -36182 5523.6 -41705 -41705 0.18778 0.73828 0.1214 1.0999e+05 2023-04-07 14:36:32,088 INFO [main.py:643]
{rank 0/100} MD step = 69300 step time: 00:00:00.017959 Performance: 123.666 ns/day 0.194 hours/ns 7.157 steps/s 2023-04-07 14:36:33,663 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 69300 13860 49.467 -36126 5421.6 -41548 -41548 0.19035 0.73901 0.12104 1.1017e+05 2023-04-07 14:36:35,528 INFO [main.py:643]
{rank 0/100} MD step = 69400 step time: 00:00:00.018069 Performance: 123.800 ns/day 0.194 hours/ns 7.164 steps/s 2023-04-07 14:36:40,397 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 69400 13880 49.537 -36304 5429.4 -41733 -41733 0.19237 0.74004 0.12016 1.103e+05 2023-04-07 14:36:46,439 INFO [main.py:643]
{rank 0/100} MD step = 69500 step time: 00:00:00.017833 Performance: 123.839 ns/day 0.194 hours/ns 7.167 steps/s 2023-04-07 14:37:04,503 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 69500 13900 50.148 -36202 5496.3 -41698 -41698 0.19328 0.74085 0.12193 1.1049e+05 2023-04-07 14:37:06,562 INFO [main.py:643]
{rank 0/100} MD step = 69600 step time: 00:00:00.017854 Performance: 123.761 ns/day 0.194 hours/ns 7.162 steps/s 2023-04-07 14:37:07,775 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 69600 13920 49.419 -36195 5416.4 -41611 -41611 0.19388 0.74202 0.12273 1.1065e+05 2023-04-07 14:37:09,651 INFO [main.py:643]
{rank 0/100} MD step = 69700 step time: 00:00:00.018017 Performance: 123.899 ns/day 0.194 hours/ns 7.170 steps/s 2023-04-07 14:37:17,424 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 69700 13940 49.492 -36313 5424.3 -41737 -41737 0.19627 0.74206 0.12166 1.1079e+05 2023-04-07 14:37:19,288 INFO [main.py:643]
{rank 0/100} MD step = 69800 step time: 00:00:00.017860 Performance: 123.954 ns/day 0.194 hours/ns 7.173 steps/s 2023-04-07 14:37:28,308 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 69800 13960 50.282 -36222 5511 -41733 -41733 0.19894 0.74288 0.12219 1.1096e+05 2023-04-07 14:37:30,162 INFO [main.py:643]
{rank 0/100} MD step = 69900 step time: 00:00:00.017976 Performance: 123.993 ns/day 0.194 hours/ns 7.176 steps/s 2023-04-07 14:37:31,538 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 69900 13980 49.988 -36167 5478.7 -41646 -41646 0.19976 0.74477 0.12027 1.1114e+05 2023-04-07 14:37:33,459 INFO [main.py:643]
{rank 0/100} MD step = 70000 step time: 00:00:00.019014 Performance: 124.128 ns/day 0.193 hours/ns 7.183 steps/s 2023-04-07 14:37:45,219 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 70000 14000 50.056 -36225 5486.3 -41711 -41711 0.20182 0.74388 0.12124 1.1129e+05 2023-04-07 14:37:47,028 INFO [main.py:643]
{rank 0/100} MD step = 70100 step time: 00:00:00.018061 Performance: 124.133 ns/day 0.193 hours/ns 7.184 steps/s 2023-04-07 14:37:55,265 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 70100 14020 50.274 -36130 5510.1 -41640 -41640 0.20466 0.74431 0.12216 1.1143e+05 2023-04-07 14:37:57,205 INFO [main.py:643]
{rank 0/100} MD step = 70200 step time: 00:00:00.017932 Performance: 124.180 ns/day 0.193 hours/ns 7.186 steps/s 2023-04-07 14:38:06,284 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 70200 14040 49.634 -36294 5439.9 -41734 -41734 0.20411 0.74491 0.12361 1.1159e+05 2023-04-07 14:38:08,315 INFO [main.py:643]
{rank 0/100} MD step = 70300 step time: 00:00:00.017997 Performance: 124.216 ns/day 0.193 hours/ns 7.188 steps/s 2023-04-07 14:38:25,283 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 70300 14060 50.382 -36108 5521.9 -41630 -41630 0.20681 0.74427 0.12438 1.1175e+05 2023-04-07 14:38:27,180 INFO [main.py:643]
{rank 0/100} MD step = 70400 step time: 00:00:00.017962 Performance: 124.153 ns/day 0.193 hours/ns 7.185 steps/s 2023-04-07 14:38:31,681 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 70400 14080 50.106 -36212 5491.7 -41704 -41704 0.20786 0.74559 0.12427 1.1191e+05 2023-04-07 14:38:33,590 INFO [main.py:643]
{rank 0/100} MD step = 70500 step time: 00:00:00.018041 Performance: 124.248 ns/day 0.193 hours/ns 7.190 steps/s 2023-04-07 14:38:42,357 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 70500 14100 49.831 -36221 5461.5 -41682 -41682 0.20946 0.74713 0.12374 1.1208e+05 2023-04-07 14:38:44,411 INFO [main.py:643]
{rank 0/100} MD step = 70600 step time: 00:00:00.017931 Performance: 124.287 ns/day 0.193 hours/ns 7.193 steps/s 2023-04-07 14:39:01,772 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 70600 14120 49.431 -36195 5417.7 -41613 -41613 0.21175 0.74713 0.12492 1.1225e+05 2023-04-07 14:39:03,661 INFO [main.py:643]
{rank 0/100} MD step = 70700 step time: 00:00:00.017882 Performance: 124.220 ns/day 0.193 hours/ns 7.189 steps/s 2023-04-07 14:39:10,475 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 70700 14140 49.739 -36130 5451.5 -41581 -41581 0.21412 0.74859 0.12504 1.1242e+05 2023-04-07 14:39:12,474 INFO [main.py:643]
{rank 0/100} MD step = 70800 step time: 00:00:00.018120 Performance: 124.284 ns/day 0.193 hours/ns 7.192 steps/s 2023-04-07 14:39:25,546 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 70800 14160 50.349 -36068 5518.3 -41586 -41586 0.21731 0.75077 0.12837 1.1256e+05 2023-04-07 14:39:27,423 INFO [main.py:643]
{rank 0/100} MD step = 70900 step time: 00:00:00.017973 Performance: 124.271 ns/day 0.193 hours/ns 7.192 steps/s 2023-04-07 14:39:28,727 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 70900 14180 49.363 -36193 5410.3 -41603 -41603 0.21891 0.7504 0.12972 1.1273e+05 2023-04-07 14:39:30,526 INFO [main.py:643]
{rank 0/100} MD step = 71000 step time: 00:00:00.017973 Performance: 124.407 ns/day 0.193 hours/ns 7.199 steps/s 2023-04-07 14:39:31,762 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 71000 14200 50.585 -36196 5544.2 -41740 -41740 0.21731 0.75212 0.13174 1.1284e+05 2023-04-07 14:39:33,627 INFO [main.py:643]
{rank 0/100} MD step = 71100 step time: 00:00:00.018680 Performance: 124.543 ns/day 0.193 hours/ns 7.207 steps/s 2023-04-07 14:39:38,906 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 71100 14220 49.906 -36240 5469.8 -41710 -41710 0.21834 0.75393 0.13258 1.1301e+05 2023-04-07 14:39:40,771 INFO [main.py:643]
{rank 0/100} MD step = 71200 step time: 00:00:00.018063 Performance: 124.628 ns/day 0.193 hours/ns 7.212 steps/s 2023-04-07 14:39:45,084 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 71200 14240 49.813 -36352 5459.5 -41812 -41812 0.2207 0.75566 0.13136 1.1316e+05 2023-04-07 14:39:47,015 INFO [main.py:643]
{rank 0/100} MD step = 71300 step time: 00:00:00.018082 Performance: 124.724 ns/day 0.192 hours/ns 7.218 steps/s 2023-04-07 14:39:59,706 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 71300 14260 50.061 -36186 5486.8 -41673 -41673 0.22229 0.75684 0.13159 1.1332e+05 2023-04-07 14:40:01,749 INFO [main.py:643]
{rank 0/100} MD step = 71400 step time: 00:00:00.017957 Performance: 124.713 ns/day 0.192 hours/ns 7.217 steps/s 2023-04-07 14:40:02,574 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 71400 14280 50.043 -36197 5484.8 -41682 -41682 0.2243 0.75646 0.13172 1.135e+05 2023-04-07 14:40:05,007 INFO [main.py:643]
{rank 0/100} MD step = 71500 step time: 00:00:00.018471 Performance: 124.847 ns/day 0.192 hours/ns 7.225 steps/s 2023-04-07 14:40:12,727 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 71500 14300 49.929 -36279 5472.3 -41751 -41751 0.22695 0.75755 0.13267 1.1365e+05 2023-04-07 14:40:14,707 INFO [main.py:643]
{rank 0/100} MD step = 71600 step time: 00:00:00.018106 Performance: 124.899 ns/day 0.192 hours/ns 7.228 steps/s 2023-04-07 14:40:23,865 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 71600 14320 50.418 -36188 5525.8 -41714 -41714 0.22729 0.75769 0.13187 1.1381e+05 2023-04-07 14:40:25,751 INFO [main.py:643]
{rank 0/100} MD step = 71700 step time: 00:00:00.017967 Performance: 124.934 ns/day 0.192 hours/ns 7.230 steps/s 2023-04-07 14:40:34,463 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 71700 14340 49.908 -36334 5470 -41804 -41804 0.22767 0.75943 0.13115 1.1394e+05 2023-04-07 14:40:36,287 INFO [main.py:643]
{rank 0/100} MD step = 71800 step time: 00:00:00.017840 Performance: 124.976 ns/day 0.192 hours/ns 7.232 steps/s 2023-04-07 14:40:45,313 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 71800 14360 50.011 -36093 5481.3 -41575 -41575 0.23195 0.76084 0.13113 1.1414e+05 2023-04-07 14:40:50,845 INFO [main.py:643]
{rank 0/100} MD step = 71900 step time: 00:00:00.018000 Performance: 124.966 ns/day 0.192 hours/ns 7.232 steps/s 2023-04-07 14:40:59,942 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 71900 14380 50.293 -36108 5512.2 -41620 -41620 0.23468 0.76103 0.1329 1.1426e+05 2023-04-07 14:41:02,262 INFO [main.py:643]
{rank 0/100} MD step = 72000 step time: 00:00:00.018380 Performance: 124.997 ns/day 0.192 hours/ns 7.234 steps/s 2023-04-07 14:41:06,844 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 72000 14400 50.561 -36070 5541.5 -41611 -41611 0.23615 0.76184 0.13383 1.1443e+05 2023-04-07 14:41:12,524 INFO [main.py:643]
{rank 0/100} MD step = 72100 step time: 00:00:00.017963 Performance: 125.041 ns/day 0.192 hours/ns 7.236 steps/s 2023-04-07 14:41:30,252 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 72100 14420 50.438 -36187 5528 -41715 -41715 0.23571 0.762 0.13336 1.1458e+05 2023-04-07 14:41:35,991 INFO [main.py:643]
{rank 0/100} MD step = 72200 step time: 00:00:00.018052 Performance: 124.921 ns/day 0.192 hours/ns 7.229 steps/s 2023-04-07 14:41:41,222 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 72200 14440 50.297 -36214 5512.6 -41727 -41727 0.23809 0.76154 0.13473 1.1471e+05 2023-04-07 14:41:43,058 INFO [main.py:643]
{rank 0/100} MD step = 72300 step time: 00:00:00.018491 Performance: 125.005 ns/day 0.192 hours/ns 7.234 steps/s 2023-04-07 14:41:47,810 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 72300 14460 50.18 -36243 5499.8 -41743 -41743 0.24219 0.76233 0.13548 1.1492e+05 2023-04-07 14:41:49,772 INFO [main.py:643]
{rank 0/100} MD step = 72400 step time: 00:00:00.018011 Performance: 125.094 ns/day 0.192 hours/ns 7.239 steps/s 2023-04-07 14:41:58,936 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 72400 14480 49.764 -36226 5454.2 -41681 -41681 0.24316 0.76354 0.13751 1.1508e+05 2023-04-07 14:42:00,763 INFO [main.py:643]
{rank 0/100} MD step = 72500 step time: 00:00:00.018025 Performance: 125.129 ns/day 0.192 hours/ns 7.241 steps/s 2023-04-07 14:42:06,026 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 72500 14500 50.201 -36139 5502.1 -41641 -41641 0.24337 0.76378 0.13626 1.1524e+05 2023-04-07 14:42:10,344 INFO [main.py:643]
{rank 0/100} MD step = 72600 step time: 00:00:00.018439 Performance: 125.182 ns/day 0.192 hours/ns 7.244 steps/s 2023-04-07 14:42:15,138 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 72600 14520 50.275 -36278 5510.2 -41789 -41789 0.24651 0.76465 0.1365 1.1538e+05 2023-04-07 14:42:25,410 INFO [main.py:643]
{rank 0/100} MD step = 72700 step time: 00:00:00.018018 Performance: 125.166 ns/day 0.192 hours/ns 7.243 steps/s 2023-04-07 14:42:34,931 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 72700 14540 50.391 -36179 5522.9 -41702 -41702 0.2478 0.76538 0.1358 1.1556e+05 2023-04-07 14:42:36,738 INFO [main.py:643]
{rank 0/100} MD step = 72800 step time: 00:00:00.018002 Performance: 125.197 ns/day 0.192 hours/ns 7.245 steps/s 2023-04-07 14:42:58,034 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 72800 14560 51.164 -36062 5607.6 -41669 -41669 0.25099 0.76545 0.13574 1.1575e+05 2023-04-07 14:42:59,976 INFO [main.py:643]
{rank 0/100} MD step = 72900 step time: 00:00:00.017909 Performance: 125.080 ns/day 0.192 hours/ns 7.238 steps/s 2023-04-07 14:43:13,160 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 72900 14580 49.728 -36288 5450.3 -41738 -41738 0.25285 0.7665 0.13725 1.1587e+05 2023-04-07 14:43:15,177 INFO [main.py:643]
{rank 0/100} MD step = 73000 step time: 00:00:00.017994 Performance: 125.063 ns/day 0.192 hours/ns 7.237 steps/s 2023-04-07 14:43:25,397 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 73000 14600 49.668 -36221 5443.6 -41665 -41665 0.25354 0.76719 0.13808 1.1604e+05 2023-04-07 14:43:27,232 INFO [main.py:643]
{rank 0/100} MD step = 73100 step time: 00:00:00.018060 Performance: 125.084 ns/day 0.192 hours/ns 7.239 steps/s 2023-04-07 14:43:40,147 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 73100 14620 49.734 -36271 5450.9 -41722 -41722 0.25619 0.76795 0.13768 1.1621e+05 2023-04-07 14:43:41,949 INFO [main.py:643]
{rank 0/100} MD step = 73200 step time: 00:00:00.018128 Performance: 125.073 ns/day 0.192 hours/ns 7.238 steps/s 2023-04-07 14:43:54,497 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 73200 14640 49.419 -36189 5416.4 -41605 -41605 0.25838 0.76787 0.13789 1.1638e+05 2023-04-07 14:43:56,381 INFO [main.py:643]
{rank 0/100} MD step = 73300 step time: 00:00:00.018193 Performance: 125.066 ns/day 0.192 hours/ns 7.238 steps/s 2023-04-07 14:43:57,727 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 73300 14660 50.086 -36176 5489.5 -41666 -41666 0.25965 0.76935 0.13871 1.1654e+05 2023-04-07 14:43:59,608 INFO [main.py:643]
{rank 0/100} MD step = 73400 step time: 00:00:00.018077 Performance: 125.196 ns/day 0.192 hours/ns 7.245 steps/s 2023-04-07 14:44:04,972 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 73400 14680 50.243 -36134 5506.7 -41641 -41641 0.26229 0.77141 0.13919 1.1672e+05 2023-04-07 14:44:06,905 INFO [main.py:643]
{rank 0/100} MD step = 73500 step time: 00:00:00.017969 Performance: 125.277 ns/day 0.192 hours/ns 7.250 steps/s 2023-04-07 14:44:28,373 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 73500 14700 50.196 -36101 5501.5 -41603 -41603 0.26236 0.77147 0.1401 1.169e+05 2023-04-07 14:44:30,293 INFO [main.py:643]
{rank 0/100} MD step = 73600 step time: 00:00:00.018051 Performance: 125.158 ns/day 0.192 hours/ns 7.243 steps/s 2023-04-07 14:44:39,052 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 73600 14720 50.341 -36238 5517.5 -41756 -41756 0.26744 0.77185 0.14053 1.1702e+05 2023-04-07 14:44:40,921 INFO [main.py:643]
{rank 0/100} MD step = 73700 step time: 00:00:00.017961 Performance: 125.198 ns/day 0.192 hours/ns 7.245 steps/s 2023-04-07 14:44:54,456 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 73700 14740 49.837 -36214 5462.2 -41676 -41676 0.27181 0.77315 0.14036 1.1719e+05 2023-04-07 14:44:56,286 INFO [main.py:643]
{rank 0/100} MD step = 73800 step time: 00:00:00.017751 Performance: 125.178 ns/day 0.192 hours/ns 7.244 steps/s 2023-04-07 14:45:09,518 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 73800 14760 49.82 -36101 5460.4 -41562 -41562 0.27266 0.77336 0.13913 1.1737e+05 2023-04-07 14:45:11,406 INFO [main.py:643]
{rank 0/100} MD step = 73900 step time: 00:00:00.018136 Performance: 125.162 ns/day 0.192 hours/ns 7.243 steps/s 2023-04-07 14:45:15,917 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 73900 14780 49.729 -36344 5450.4 -41795 -41795 0.27247 0.77422 0.13923 1.1748e+05 2023-04-07 14:45:17,786 INFO [main.py:643]
{rank 0/100} MD step = 74000 step time: 00:00:00.018164 Performance: 125.253 ns/day 0.192 hours/ns 7.248 steps/s 2023-04-07 14:45:39,797 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 74000 14800 50.547 -36145 5540 -41685 -41685 0.27515 0.77589 0.13913 1.1765e+05 2023-04-07 14:45:41,796 INFO [main.py:643]
{rank 0/100} MD step = 74100 step time: 00:00:00.018084 Performance: 125.128 ns/day 0.192 hours/ns 7.241 steps/s 2023-04-07 14:45:59,064 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 74100 14820 50.483 -36244 5533 -41777 -41777 0.27783 0.77625 0.13857 1.1779e+05 2023-04-07 14:46:01,135 INFO [main.py:643]
{rank 0/100} MD step = 74200 step time: 00:00:00.018038 Performance: 125.061 ns/day 0.192 hours/ns 7.237 steps/s 2023-04-07 14:46:22,845 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 74200 14840 50.037 -36232 5484.2 -41716 -41716 0.27752 0.77795 0.13852 1.1795e+05 2023-04-07 14:46:27,801 INFO [main.py:643]
{rank 0/100} MD step = 74300 step time: 00:00:00.018070 Performance: 124.904 ns/day 0.192 hours/ns 7.228 steps/s 2023-04-07 14:46:38,320 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 74300 14860 50.213 -36182 5503.4 -41685 -41685 0.27843 0.77856 0.13984 1.1813e+05 2023-04-07 14:46:40,192 INFO [main.py:643]
{rank 0/100} MD step = 74400 step time: 00:00:00.018102 Performance: 124.922 ns/day 0.192 hours/ns 7.229 steps/s 2023-04-07 14:46:56,833 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 74400 14880 50.257 -36171 5508.2 -41679 -41679 0.28032 0.78138 0.13852 1.1828e+05 2023-04-07 14:46:58,726 INFO [main.py:643]
{rank 0/100} MD step = 74500 step time: 00:00:00.018010 Performance: 124.865 ns/day 0.192 hours/ns 7.226 steps/s 2023-04-07 14:47:07,579 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 74500 14900 50.563 -36140 5541.8 -41682 -41682 0.28262 0.78245 0.13919 1.1847e+05 2023-04-07 14:47:09,462 INFO [main.py:643]
{rank 0/100} MD step = 74600 step time: 00:00:00.018074 Performance: 124.903 ns/day 0.192 hours/ns 7.228 steps/s 2023-04-07 14:47:24,362 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 74600 14920 50.652 -36101 5551.6 -41653 -41653 0.28335 0.78256 0.13995 1.1866e+05 2023-04-07 14:47:26,243 INFO [main.py:643]
{rank 0/100} MD step = 74700 step time: 00:00:00.017955 Performance: 124.867 ns/day 0.192 hours/ns 7.226 steps/s 2023-04-07 14:47:29,925 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 74700 14940 50.442 -36069 5528.5 -41597 -41597 0.28506 0.78308 0.13963 1.1881e+05 2023-04-07 14:47:31,786 INFO [main.py:643]
{rank 0/100} MD step = 74800 step time: 00:00:00.017878 Performance: 124.967 ns/day 0.192 hours/ns 7.232 steps/s 2023-04-07 14:47:52,125 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 74800 14960 50.212 -36153 5503.3 -41656 -41656 0.28827 0.78433 0.13918 1.1892e+05 2023-04-07 14:47:54,092 INFO [main.py:643]
{rank 0/100} MD step = 74900 step time: 00:00:00.018004 Performance: 124.865 ns/day 0.192 hours/ns 7.226 steps/s 2023-04-07 14:48:03,471 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 74900 14980 50.259 -36187 5508.5 -41696 -41696 0.28932 0.78455 0.13951 1.1908e+05 2023-04-07 14:48:05,341 INFO [main.py:643]
{rank 0/100} MD step = 75000 step time: 00:00:00.017900 Performance: 124.896 ns/day 0.192 hours/ns 7.228 steps/s 2023-04-07 14:48:06,518 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 75000 15000 49.592 -36239 5435.4 -41674 -41674 0.28983 0.78566 0.13974 1.1924e+05 2023-04-07 14:48:11,264 INFO [main.py:643]
{rank 0/100} MD step = 75100 step time: 00:00:00.018103 Performance: 124.991 ns/day 0.192 hours/ns 7.233 steps/s 2023-04-07 14:48:24,315 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 75100 15020 50.112 -36232 5492.3 -41724 -41724 0.28972 0.78622 0.14047 1.1943e+05 2023-04-07 14:48:26,227 INFO [main.py:643]
{rank 0/100} MD step = 75200 step time: 00:00:00.018080 Performance: 124.978 ns/day 0.192 hours/ns 7.232 steps/s 2023-04-07 14:48:31,141 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 75200 15040 49.281 -36228 5401.3 -41630 -41630 0.29062 0.78668 0.14121 1.196e+05 2023-04-07 14:48:32,992 INFO [main.py:643]
{rank 0/100} MD step = 75300 step time: 00:00:00.018151 Performance: 125.062 ns/day 0.192 hours/ns 7.237 steps/s 2023-04-07 14:48:45,899 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 75300 15060 49.692 -36230 5446.3 -41677 -41677 0.2931 0.78717 0.14315 1.1974e+05 2023-04-07 14:48:47,838 INFO [main.py:643]
{rank 0/100} MD step = 75400 step time: 00:00:00.018705 Performance: 125.050 ns/day 0.192 hours/ns 7.237 steps/s 2023-04-07 14:49:05,255 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 75400 15080 50.199 -36282 5501.9 -41784 -41784 0.29668 0.78993 0.14462 1.1987e+05 2023-04-07 14:49:07,367 INFO [main.py:643]
{rank 0/100} MD step = 75500 step time: 00:00:00.018120 Performance: 124.982 ns/day 0.192 hours/ns 7.233 steps/s 2023-04-07 14:49:20,590 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 75500 15100 50.644 -36224 5550.7 -41775 -41775 0.29845 0.79056 0.14407 1.2004e+05 2023-04-07 14:49:22,416 INFO [main.py:643]
{rank 0/100} MD step = 75600 step time: 00:00:00.018111 Performance: 124.967 ns/day 0.192 hours/ns 7.232 steps/s 2023-04-07 14:49:31,018 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 75600 15120 49.947 -36147 5474.3 -41621 -41621 0.29947 0.79052 0.14488 1.2022e+05 2023-04-07 14:49:32,944 INFO [main.py:643]
{rank 0/100} MD step = 75700 step time: 00:00:00.018026 Performance: 125.006 ns/day 0.192 hours/ns 7.234 steps/s 2023-04-07 14:49:41,612 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 75700 15140 50.064 -36197 5487.1 -41684 -41684 0.30156 0.7921 0.14603 1.2034e+05 2023-04-07 14:49:43,461 INFO [main.py:643]
{rank 0/100} MD step = 75800 step time: 00:00:00.018085 Performance: 125.046 ns/day 0.192 hours/ns 7.236 steps/s 2023-04-07 14:49:47,551 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 75800 15160 49.679 -36313 5444.9 -41758 -41758 0.30363 0.79265 0.14711 1.2052e+05 2023-04-07 14:49:49,964 INFO [main.py:643]
{rank 0/100} MD step = 75900 step time: 00:00:00.018083 Performance: 125.133 ns/day 0.192 hours/ns 7.242 steps/s 2023-04-07 14:50:03,270 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 75900 15180 50.245 -36145 5507 -41652 -41652 0.30303 0.79441 0.14718 1.2068e+05 2023-04-07 14:50:05,194 INFO [main.py:643]
{rank 0/100} MD step = 76000 step time: 00:00:00.018059 Performance: 125.116 ns/day 0.192 hours/ns 7.241 steps/s 2023-04-07 14:50:18,418 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 76000 15200 50.8 -36213 5567.7 -41781 -41781 0.3038 0.79667 0.14822 1.2083e+05 2023-04-07 14:50:20,316 INFO [main.py:643]
{rank 0/100} MD step = 76100 step time: 00:00:00.018012 Performance: 125.101 ns/day 0.192 hours/ns 7.240 steps/s 2023-04-07 14:50:22,094 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 76100 15220 50.241 -36199 5506.5 -41706 -41706 0.3059 0.7969 0.14834 1.2099e+05 2023-04-07 14:50:23,975 INFO [main.py:643]
{rank 0/100} MD step = 76200 step time: 00:00:00.018089 Performance: 125.221 ns/day 0.192 hours/ns 7.247 steps/s 2023-04-07 14:50:39,778 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 76200 15240 49.5 -36228 5425.3 -41653 -41653 0.30653 0.7984 0.14895 1.2114e+05 2023-04-07 14:50:41,789 INFO [main.py:643]
{rank 0/100} MD step = 76300 step time: 00:00:00.018197 Performance: 125.174 ns/day 0.192 hours/ns 7.244 steps/s 2023-04-07 14:51:29,151 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 76300 15260 49.428 -36366 5417.4 -41783 -41783 0.30497 0.7992 0.14908 1.2129e+05 2023-04-07 14:51:31,181 INFO [main.py:643]
{rank 0/100} MD step = 76400 step time: 00:00:00.018023 Performance: 124.753 ns/day 0.192 hours/ns 7.219 steps/s 2023-04-07 14:51:40,335 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 76400 15280 49.95 -36185 5474.5 -41660 -41660 0.31015 0.80099 0.1495 1.2147e+05 2023-04-07 14:51:42,299 INFO [main.py:643]
{rank 0/100} MD step = 76500 step time: 00:00:00.018362 Performance: 124.785 ns/day 0.192 hours/ns 7.221 steps/s 2023-04-07 14:52:00,434 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 76500 15300 50.097 -36281 5490.6 -41771 -41771 0.313 0.80243 0.14935 1.2162e+05 2023-04-07 14:52:02,280 INFO [main.py:643]
{rank 0/100} MD step = 76600 step time: 00:00:00.018039 Performance: 124.713 ns/day 0.192 hours/ns 7.217 steps/s 2023-04-07 14:52:10,122 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 76600 15320 49.448 -36302 5419.5 -41721 -41721 0.31503 0.80294 0.15132 1.2176e+05 2023-04-07 14:52:12,004 INFO [main.py:643]
{rank 0/100} MD step = 76700 step time: 00:00:00.017946 Performance: 124.761 ns/day 0.192 hours/ns 7.220 steps/s 2023-04-07 14:52:29,309 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 76700 15340 49.708 -36183 5448.1 -41631 -41631 0.3153 0.80475 0.15279 1.2194e+05 2023-04-07 14:52:31,197 INFO [main.py:643]
{rank 0/100} MD step = 76800 step time: 00:00:00.017984 Performance: 124.699 ns/day 0.192 hours/ns 7.216 steps/s 2023-04-07 14:52:40,269 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 76800 15360 50.106 -36169 5491.7 -41660 -41660 0.31847 0.80495 0.15285 1.221e+05 2023-04-07 14:52:42,116 INFO [main.py:643]
{rank 0/100} MD step = 76900 step time: 00:00:00.018122 Performance: 124.733 ns/day 0.192 hours/ns 7.218 steps/s 2023-04-07 14:52:59,187 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 76900 15380 50.711 -36110 5558 -41668 -41668 0.32188 0.80584 0.15378 1.2223e+05 2023-04-07 14:53:01,056 INFO [main.py:643]
{rank 0/100} MD step = 77000 step time: 00:00:00.018042 Performance: 124.674 ns/day 0.193 hours/ns 7.215 steps/s 2023-04-07 14:53:08,536 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 77000 15400 49.905 -36317 5469.7 -41787 -41787 0.32295 0.80763 0.15269 1.2239e+05 2023-04-07 14:53:10,369 INFO [main.py:643]
{rank 0/100} MD step = 77100 step time: 00:00:00.018019 Performance: 124.727 ns/day 0.192 hours/ns 7.218 steps/s 2023-04-07 14:53:18,817 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 77100 15420 49.946 -36189 5474.2 -41663 -41663 0.32356 0.80831 0.15294 1.2257e+05 2023-04-07 14:53:20,681 INFO [main.py:643]
{rank 0/100} MD step = 77200 step time: 00:00:00.017988 Performance: 124.768 ns/day 0.192 hours/ns 7.220 steps/s 2023-04-07 14:53:34,918 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 77200 15440 49.635 -36192 5440 -41632 -41632 0.32282 0.80855 0.15306 1.2271e+05 2023-04-07 14:53:36,870 INFO [main.py:643]
{rank 0/100} MD step = 77300 step time: 00:00:00.018044 Performance: 124.741 ns/day 0.192 hours/ns 7.219 steps/s 2023-04-07 14:53:48,909 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 77300 15460 49.749 -36145 5452.6 -41598 -41598 0.32143 0.80902 0.15296 1.2287e+05 2023-04-07 14:53:50,774 INFO [main.py:643]
{rank 0/100} MD step = 77400 step time: 00:00:00.018126 Performance: 124.740 ns/day 0.192 hours/ns 7.219 steps/s 2023-04-07 14:54:08,631 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 77400 15480 49.216 -36346 5394.1 -41740 -41740 0.32422 0.81026 0.15373 1.2304e+05 2023-04-07 14:54:10,646 INFO [main.py:643]
{rank 0/100} MD step = 77500 step time: 00:00:00.018045 Performance: 124.670 ns/day 0.193 hours/ns 7.215 steps/s 2023-04-07 14:54:28,200 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 77500 15500 50.177 -36266 5499.5 -41766 -41766 0.32369 0.81102 0.15383 1.232e+05 2023-04-07 14:54:30,132 INFO [main.py:643]
{rank 0/100} MD step = 77600 step time: 00:00:00.018123 Performance: 124.605 ns/day 0.193 hours/ns 7.211 steps/s 2023-04-07 14:54:38,733 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 77600 15520 49.918 -36348 5471.1 -41819 -41819 0.32803 0.81252 0.15386 1.2334e+05 2023-04-07 14:54:44,151 INFO [main.py:643]
{rank 0/100} MD step = 77700 step time: 00:00:00.017982 Performance: 124.603 ns/day 0.193 hours/ns 7.211 steps/s 2023-04-07 14:55:26,452 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 77700 15540 49.274 -36222 5400.5 -41623 -41623 0.32839 0.81197 0.15501 1.2354e+05 2023-04-07 14:55:28,409 INFO [main.py:643]
{rank 0/100} MD step = 77800 step time: 00:00:00.017910 Performance: 124.253 ns/day 0.193 hours/ns 7.191 steps/s 2023-04-07 14:55:31,767 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 77800 15560 49.978 -36185 5477.7 -41662 -41662 0.33085 0.81321 0.15548 1.237e+05 2023-04-07 14:55:34,081 INFO [main.py:643]
{rank 0/100} MD step = 77900 step time: 00:00:00.018076 Performance: 124.348 ns/day 0.193 hours/ns 7.196 steps/s 2023-04-07 14:55:46,853 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 77900 15580 49.91 -36316 5470.2 -41786 -41786 0.33073 0.81275 0.15599 1.2383e+05 2023-04-07 14:55:48,821 INFO [main.py:643]
{rank 0/100} MD step = 78000 step time: 00:00:00.018044 Performance: 124.338 ns/day 0.193 hours/ns 7.195 steps/s 2023-04-07 14:56:01,898 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 78000 15600 49.83 -36222 5461.4 -41684 -41684 0.3315 0.81578 0.15411 1.2401e+05 2023-04-07 14:56:03,815 INFO [main.py:643]
{rank 0/100} MD step = 78100 step time: 00:00:00.017930 Performance: 124.326 ns/day 0.193 hours/ns 7.195 steps/s 2023-04-07 14:56:08,885 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 78100 15620 49.769 -36252 5454.7 -41706 -41706 0.33202 0.81586 0.15448 1.2419e+05 2023-04-07 14:56:11,193 INFO [main.py:643]
{rank 0/100} MD step = 78200 step time: 00:00:00.018052 Performance: 124.400 ns/day 0.193 hours/ns 7.199 steps/s 2023-04-07 14:56:27,740 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 78200 15640 50.631 -36139 5549.2 -41688 -41688 0.33167 0.81662 0.15519 1.2435e+05 2023-04-07 14:56:29,643 INFO [main.py:643]
{rank 0/100} MD step = 78300 step time: 00:00:00.018035 Performance: 124.348 ns/day 0.193 hours/ns 7.196 steps/s 2023-04-07 14:56:44,248 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 78300 15660 49.228 -36395 5395.4 -41791 -41791 0.33231 0.81795 0.15494 1.245e+05 2023-04-07 14:56:46,135 INFO [main.py:643]
{rank 0/100} MD step = 78400 step time: 00:00:00.018364 Performance: 124.319 ns/day 0.193 hours/ns 7.194 steps/s 2023-04-07 14:57:03,262 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 78400 15680 51.17 -36047 5608.3 -41655 -41655 0.33354 0.81794 0.1537 1.2469e+05 2023-04-07 14:57:05,191 INFO [main.py:643]
{rank 0/100} MD step = 78500 step time: 00:00:00.017973 Performance: 124.260 ns/day 0.193 hours/ns 7.191 steps/s 2023-04-07 14:57:30,224 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 78500 15700 49.172 -36292 5389.3 -41681 -41681 0.336 0.81853 0.15348 1.2485e+05 2023-04-07 14:57:32,025 INFO [main.py:643]
{rank 0/100} MD step = 78600 step time: 00:00:00.018053 Performance: 124.113 ns/day 0.193 hours/ns 7.182 steps/s 2023-04-07 14:57:58,222 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 78600 15720 49.475 -36197 5422.5 -41620 -41620 0.33755 0.81879 0.15448 1.2503e+05 2023-04-07 14:58:03,900 INFO [main.py:643]
{rank 0/100} MD step = 78700 step time: 00:00:00.018025 Performance: 123.910 ns/day 0.194 hours/ns 7.171 steps/s 2023-04-07 14:58:13,160 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 78700 15740 49.733 -36253 5450.8 -41704 -41704 0.33978 0.81761 0.15497 1.2516e+05 2023-04-07 14:58:15,073 INFO [main.py:643]
{rank 0/100} MD step = 78800 step time: 00:00:00.017919 Performance: 123.941 ns/day 0.194 hours/ns 7.173 steps/s 2023-04-07 14:58:36,646 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 78800 15760 50.209 -36104 5502.9 -41607 -41607 0.34189 0.81622 0.15502 1.2534e+05 2023-04-07 14:58:38,515 INFO [main.py:643]
{rank 0/100} MD step = 78900 step time: 00:00:00.017833 Performance: 123.834 ns/day 0.194 hours/ns 7.166 steps/s 2023-04-07 14:58:56,215 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 78900 15780 49.74 -36301 5451.5 -41752 -41752 0.34312 0.81635 0.15481 1.2548e+05 2023-04-07 14:58:58,184 INFO [main.py:643]
{rank 0/100} MD step = 79000 step time: 00:00:00.017935 Performance: 123.770 ns/day 0.194 hours/ns 7.163 steps/s 2023-04-07 14:59:02,174 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 79000 15800 49.354 -36280 5409.3 -41689 -41689 0.34303 0.81847 0.1555 1.2561e+05 2023-04-07 14:59:04,044 INFO [main.py:643]
{rank 0/100} MD step = 79100 step time: 00:00:00.017895 Performance: 123.861 ns/day 0.194 hours/ns 7.168 steps/s 2023-04-07 14:59:21,472 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 79100 15820 50.116 -36231 5492.8 -41724 -41724 0.34507 0.81913 0.15629 1.2577e+05 2023-04-07 14:59:23,536 INFO [main.py:643]
{rank 0/100} MD step = 79200 step time: 00:00:00.017899 Performance: 123.799 ns/day 0.194 hours/ns 7.164 steps/s 2023-04-07 14:59:28,695 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 79200 15840 50.74 -36052 5561.2 -41614 -41614 0.34959 0.82124 0.15729 1.2592e+05 2023-04-07 14:59:30,613 INFO [main.py:643]
{rank 0/100} MD step = 79300 step time: 00:00:00.018031 Performance: 123.876 ns/day 0.194 hours/ns 7.169 steps/s 2023-04-07 15:00:00,453 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 79300 15860 49.831 -36408 5461.5 -41869 -41869 0.3493 0.82127 0.15901 1.2604e+05 2023-04-07 15:00:02,280 INFO [main.py:643]
{rank 0/100} MD step = 79400 step time: 00:00:00.017982 Performance: 123.678 ns/day 0.194 hours/ns 7.157 steps/s 2023-04-07 15:00:11,650 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 79400 15880 50.097 -36221 5490.6 -41712 -41712 0.35154 0.82301 0.15849 1.2623e+05 2023-04-07 15:00:13,547 INFO [main.py:643]
{rank 0/100} MD step = 79500 step time: 00:00:00.017842 Performance: 123.708 ns/day 0.194 hours/ns 7.159 steps/s 2023-04-07 15:00:21,816 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 79500 15900 49.309 -36273 5404.3 -41678 -41678 0.35116 0.82549 0.15791 1.264e+05 2023-04-07 15:00:27,872 INFO [main.py:643]
{rank 0/100} MD step = 79600 step time: 00:00:00.021058 Performance: 123.704 ns/day 0.194 hours/ns 7.159 steps/s 2023-04-07 15:00:45,323 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 79600 15920 49.737 -36224 5451.2 -41675 -41675 0.35371 0.82567 0.15899 1.2658e+05 2023-04-07 15:00:51,775 INFO [main.py:643]
{rank 0/100} MD step = 79700 step time: 00:00:00.017920 Performance: 123.594 ns/day 0.194 hours/ns 7.152 steps/s 2023-04-07 15:01:21,809 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 79700 15940 50.187 -36104 5500.5 -41605 -41605 0.35729 0.8266 0.1589 1.2673e+05 2023-04-07 15:01:28,120 INFO [main.py:643]
{rank 0/100} MD step = 79800 step time: 00:00:00.018036 Performance: 123.347 ns/day 0.195 hours/ns 7.138 steps/s 2023-04-07 15:01:49,918 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 79800 15960 50.215 -36217 5503.6 -41721 -41721 0.35895 0.82678 0.15853 1.2688e+05 2023-04-07 15:01:51,952 INFO [main.py:643]
{rank 0/100} MD step = 79900 step time: 00:00:00.018162 Performance: 123.239 ns/day 0.195 hours/ns 7.132 steps/s 2023-04-07 15:02:05,463 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 79900 15980 49.428 -36218 5417.4 -41635 -41635 0.35894 0.82724 0.16045 1.2703e+05 2023-04-07 15:02:07,356 INFO [main.py:643]
{rank 0/100} MD step = 80000 step time: 00:00:00.018054 Performance: 123.223 ns/day 0.195 hours/ns 7.131 steps/s 2023-04-07 15:02:24,346 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 80000 16000 50.083 -36222 5489.2 -41711 -41711 0.36325 0.82871 0.16005 1.2719e+05 2023-04-07 15:02:26,339 INFO [main.py:643]
{rank 0/100} MD step = 80100 step time: 00:00:00.018149 Performance: 123.169 ns/day 0.195 hours/ns 7.128 steps/s 2023-04-07 15:02:44,129 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 80100 16020 49.487 -36305 5423.8 -41729 -41729 0.36295 0.82968 0.16089 1.2732e+05 2023-04-07 15:02:46,022 INFO [main.py:643]
{rank 0/100} MD step = 80200 step time: 00:00:00.017877 Performance: 123.107 ns/day 0.195 hours/ns 7.124 steps/s 2023-04-07 15:03:02,681 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 80200 16040 49.498 -36287 5425.1 -41712 -41712 0.36195 0.82889 0.1594 1.275e+05 2023-04-07 15:03:04,579 INFO [main.py:643]
{rank 0/100} MD step = 80300 step time: 00:00:00.018024 Performance: 123.058 ns/day 0.195 hours/ns 7.121 steps/s 2023-04-07 15:03:17,881 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 80300 16060 50.41 -36208 5525 -41733 -41733 0.3631 0.83127 0.16055 1.2765e+05 2023-04-07 15:03:19,795 INFO [main.py:643]
{rank 0/100} MD step = 80400 step time: 00:00:00.017982 Performance: 123.045 ns/day 0.195 hours/ns 7.121 steps/s 2023-04-07 15:03:33,620 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 80400 16080 49.505 -36241 5425.8 -41666 -41666 0.36418 0.83271 0.16076 1.278e+05 2023-04-07 15:03:35,473 INFO [main.py:643]
{rank 0/100} MD step = 80500 step time: 00:00:00.017979 Performance: 123.027 ns/day 0.195 hours/ns 7.120 steps/s 2023-04-07 15:03:43,868 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 80500 16100 50.038 -36239 5484.3 -41723 -41723 0.36898 0.83386 0.1602 1.2796e+05 2023-04-07 15:03:45,721 INFO [main.py:643]
{rank 0/100} MD step = 80600 step time: 00:00:00.018131 Performance: 123.069 ns/day 0.195 hours/ns 7.122 steps/s 2023-04-07 15:04:19,964 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 80600 16120 49.357 -36319 5409.6 -41729 -41729 0.37095 0.83429 0.16134 1.2812e+05 2023-04-07 15:04:22,080 INFO [main.py:643]
{rank 0/100} MD step = 80700 step time: 00:00:00.017954 Performance: 122.827 ns/day 0.195 hours/ns 7.108 steps/s 2023-04-07 15:04:31,661 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 80700 16140 49.823 -36209 5460.6 -41669 -41669 0.37332 0.83403 0.15962 1.283e+05 2023-04-07 15:04:33,583 INFO [main.py:643]
{rank 0/100} MD step = 80800 step time: 00:00:00.018132 Performance: 122.854 ns/day 0.195 hours/ns 7.110 steps/s 2023-04-07 15:04:34,842 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 80800 16160 49.454 -36343 5420.2 -41763 -41763 0.37764 0.83467 0.16032 1.2844e+05 2023-04-07 15:04:36,694 INFO [main.py:643]
{rank 0/100} MD step = 80900 step time: 00:00:00.017996 Performance: 122.973 ns/day 0.195 hours/ns 7.116 steps/s 2023-04-07 15:04:50,255 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 80900 16180 50.042 -36267 5484.6 -41752 -41752 0.37877 0.83541 0.16039 1.2861e+05 2023-04-07 15:04:52,140 INFO [main.py:643]
{rank 0/100} MD step = 81000 step time: 00:00:00.017915 Performance: 122.958 ns/day 0.195 hours/ns 7.116 steps/s 2023-04-07 15:05:00,893 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 81000 16200 49.859 -36173 5464.6 -41637 -41637 0.38201 0.83623 0.16072 1.2879e+05 2023-04-07 15:05:02,845 INFO [main.py:643]
{rank 0/100} MD step = 81100 step time: 00:00:00.017919 Performance: 122.994 ns/day 0.195 hours/ns 7.118 steps/s 2023-04-07 15:05:07,975 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 81100 16220 50.128 -36194 5494.1 -41688 -41688 0.38276 0.83776 0.16127 1.2894e+05 2023-04-07 15:05:09,830 INFO [main.py:643]
{rank 0/100} MD step = 81200 step time: 00:00:00.018042 Performance: 123.070 ns/day 0.195 hours/ns 7.122 steps/s 2023-04-07 15:05:26,549 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 81200 16240 49.939 -36297 5473.4 -41770 -41770 0.38288 0.83892 0.16197 1.2909e+05 2023-04-07 15:05:29,485 INFO [main.py:643]
{rank 0/100} MD step = 81300 step time: 00:00:00.018004 Performance: 123.010 ns/day 0.195 hours/ns 7.119 steps/s 2023-04-07 15:05:46,105 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 81300 16260 49.81 -36282 5459.3 -41741 -41741 0.38435 0.84076 0.16196 1.2927e+05 2023-04-07 15:05:47,919 INFO [main.py:643]
{rank 0/100} MD step = 81400 step time: 00:00:00.020362 Performance: 122.962 ns/day 0.195 hours/ns 7.116 steps/s 2023-04-07 15:06:09,519 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 81400 16280 49.973 -36215 5477.1 -41692 -41692 0.38605 0.84191 0.1631 1.2944e+05 2023-04-07 15:06:11,435 INFO [main.py:643]
{rank 0/100} MD step = 81500 step time: 00:00:00.017904 Performance: 122.861 ns/day 0.195 hours/ns 7.110 steps/s 2023-04-07 15:06:25,013 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 81500 16300 49.747 -36292 5452.3 -41745 -41745 0.38593 0.84138 0.16195 1.2959e+05 2023-04-07 15:06:30,925 INFO [main.py:643]
{rank 0/100} MD step = 81600 step time: 00:00:00.018095 Performance: 122.803 ns/day 0.195 hours/ns 7.107 steps/s 2023-04-07 15:06:43,891 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 81600 16320 49.836 -36234 5462.1 -41696 -41696 0.38646 0.84166 0.16259 1.2974e+05 2023-04-07 15:06:45,903 INFO [main.py:643]
{rank 0/100} MD step = 81700 step time: 00:00:00.018187 Performance: 122.793 ns/day 0.195 hours/ns 7.106 steps/s 2023-04-07 15:07:25,239 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 81700 16340 50.442 -36241 5528.5 -41770 -41770 0.38922 0.8441 0.16159 1.2989e+05 2023-04-07 15:07:27,103 INFO [main.py:643]
{rank 0/100} MD step = 81800 step time: 00:00:00.017874 Performance: 122.504 ns/day 0.196 hours/ns 7.089 steps/s 2023-04-07 15:07:48,436 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 81800 16360 49.66 -36250 5442.8 -41693 -41693 0.3889 0.84502 0.16004 1.3006e+05 2023-04-07 15:07:50,373 INFO [main.py:643]
{rank 0/100} MD step = 81900 step time: 00:00:00.018030 Performance: 122.407 ns/day 0.196 hours/ns 7.084 steps/s 2023-04-07 15:08:03,666 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 81900 16380 49.953 -36205 5474.9 -41680 -41680 0.3897 0.84614 0.16001 1.3025e+05 2023-04-07 15:08:05,482 INFO [main.py:643]
{rank 0/100} MD step = 82000 step time: 00:00:00.018087 Performance: 122.397 ns/day 0.196 hours/ns 7.083 steps/s 2023-04-07 15:08:18,574 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 82000 16400 50.536 -36190 5538.8 -41729 -41729 0.39179 0.84651 0.16123 1.3041e+05 2023-04-07 15:08:24,414 INFO [main.py:643]
{rank 0/100} MD step = 82100 step time: 00:00:00.017819 Performance: 122.346 ns/day 0.196 hours/ns 7.080 steps/s 2023-04-07 15:08:34,195 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 82100 16420 49.683 -36231 5445.3 -41676 -41676 0.39272 0.84676 0.162 1.3056e+05 2023-04-07 15:08:39,627 INFO [main.py:643]
{rank 0/100} MD step = 82200 step time: 00:00:00.017978 Performance: 122.335 ns/day 0.196 hours/ns 7.080 steps/s 2023-04-07 15:09:06,873 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 82200 16440 49.38 -36266 5412.1 -41678 -41678 0.39223 0.84836 0.16289 1.3069e+05 2023-04-07 15:09:08,701 INFO [main.py:643]
{rank 0/100} MD step = 82300 step time: 00:00:00.018074 Performance: 122.177 ns/day 0.196 hours/ns 7.070 steps/s 2023-04-07 15:09:25,186 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 82300 16460 50.087 -36177 5489.6 -41667 -41667 0.39521 0.84835 0.16192 1.3086e+05 2023-04-07 15:09:27,020 INFO [main.py:643]
{rank 0/100} MD step = 82400 step time: 00:00:00.017956 Performance: 122.134 ns/day 0.197 hours/ns 7.068 steps/s 2023-04-07 15:09:52,996 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 82400 16480 49.426 -36270 5417.2 -41688 -41688 0.39602 0.84824 0.16245 1.3104e+05 2023-04-07 15:09:54,892 INFO [main.py:643]
{rank 0/100} MD step = 82500 step time: 00:00:00.018196 Performance: 121.990 ns/day 0.197 hours/ns 7.060 steps/s 2023-04-07 15:10:03,853 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 82500 16500 49.382 -36362 5412.4 -41775 -41775 0.397 0.8494 0.16582 1.3119e+05 2023-04-07 15:10:05,749 INFO [main.py:643]
{rank 0/100} MD step = 82600 step time: 00:00:00.017858 Performance: 122.025 ns/day 0.197 hours/ns 7.062 steps/s 2023-04-07 15:10:14,784 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 82600 16520 49.935 -36159 5472.9 -41632 -41632 0.39901 0.84953 0.16547 1.3137e+05 2023-04-07 15:10:16,750 INFO [main.py:643]
{rank 0/100} MD step = 82700 step time: 00:00:00.018341 Performance: 122.058 ns/day 0.197 hours/ns 7.064 steps/s 2023-04-07 15:10:22,282 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 82700 16540 50.812 -36009 5569 -41578 -41578 0.39983 0.84984 0.16557 1.3154e+05 2023-04-07 15:10:24,120 INFO [main.py:643]
{rank 0/100} MD step = 82800 step time: 00:00:00.017865 Performance: 122.128 ns/day 0.197 hours/ns 7.068 steps/s 2023-04-07 15:10:31,571 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 82800 16560 50.401 -36117 5524 -41641 -41641 0.40042 0.84916 0.16488 1.3168e+05 2023-04-07 15:10:33,514 INFO [main.py:643]
{rank 0/100} MD step = 82900 step time: 00:00:00.018017 Performance: 122.178 ns/day 0.196 hours/ns 7.070 steps/s 2023-04-07 15:10:46,512 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 82900 16580 49.585 -36314 5434.5 -41749 -41749 0.4028 0.84936 0.16558 1.3178e+05 2023-04-07 15:10:48,342 INFO [main.py:643]
{rank 0/100} MD step = 83000 step time: 00:00:00.017960 Performance: 122.171 ns/day 0.196 hours/ns 7.070 steps/s 2023-04-07 15:11:01,949 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 83000 16600 49.596 -36387 5435.8 -41823 -41823 0.40383 0.85022 0.16511 1.3193e+05 2023-04-07 15:11:04,031 INFO [main.py:643]
{rank 0/100} MD step = 83100 step time: 00:00:00.019433 Performance: 122.155 ns/day 0.196 hours/ns 7.069 steps/s 2023-04-07 15:11:16,834 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 83100 16620 50.179 -36164 5499.6 -41664 -41664 0.40553 0.85077 0.16688 1.3211e+05 2023-04-07 15:11:18,791 INFO [main.py:643]
{rank 0/100} MD step = 83200 step time: 00:00:00.017739 Performance: 122.148 ns/day 0.196 hours/ns 7.069 steps/s 2023-04-07 15:11:25,593 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 83200 16640 50.81 -36071 5568.8 -41639 -41639 0.40764 0.85237 0.16705 1.3227e+05 2023-04-07 15:11:27,465 INFO [main.py:643]
{rank 0/100} MD step = 83300 step time: 00:00:00.018153 Performance: 122.205 ns/day 0.196 hours/ns 7.072 steps/s 2023-04-07 15:11:28,756 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 83300 16660 49.724 -36312 5449.8 -41762 -41762 0.41028 0.8549 0.16748 1.3242e+05 2023-04-07 15:11:30,708 INFO [main.py:643]
{rank 0/100} MD step = 83400 step time: 00:00:00.017979 Performance: 122.318 ns/day 0.196 hours/ns 7.079 steps/s 2023-04-07 15:11:38,193 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 83400 16680 49.9 -36260 5469 -41729 -41729 0.4111 0.85652 0.16716 1.3257e+05 2023-04-07 15:11:40,253 INFO [main.py:643]
{rank 0/100} MD step = 83500 step time: 00:00:00.018138 Performance: 122.366 ns/day 0.196 hours/ns 7.081 steps/s 2023-04-07 15:12:01,823 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 83500 16700 49.206 -36218 5393 -41611 -41611 0.41402 0.85679 0.16864 1.3274e+05 2023-04-07 15:12:03,825 INFO [main.py:643]
{rank 0/100} MD step = 83600 step time: 00:00:00.017953 Performance: 122.268 ns/day 0.196 hours/ns 7.076 steps/s 2023-04-07 15:12:21,348 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 83600 16720 49.515 -36207 5426.9 -41634 -41634 0.4148 0.85746 0.16925 1.3291e+05 2023-04-07 15:12:23,252 INFO [main.py:643]
{rank 0/100} MD step = 83700 step time: 00:00:00.017953 Performance: 122.213 ns/day 0.196 hours/ns 7.073 steps/s 2023-04-07 15:12:36,408 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 83700 16740 49.989 -36182 5478.9 -41661 -41661 0.41661 0.85662 0.17075 1.3307e+05 2023-04-07 15:12:38,522 INFO [main.py:643]
{rank 0/100} MD step = 83800 step time: 00:00:00.017907 Performance: 122.201 ns/day 0.196 hours/ns 7.072 steps/s 2023-04-07 15:12:51,320 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 83800 16760 49.851 -36220 5463.7 -41683 -41683 0.4181 0.85793 0.17131 1.3325e+05 2023-04-07 15:12:53,428 INFO [main.py:643]
{rank 0/100} MD step = 83900 step time: 00:00:00.018184 Performance: 122.194 ns/day 0.196 hours/ns 7.071 steps/s 2023-04-07 15:12:54,614 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 83900 16780 50.139 -36177 5495.3 -41672 -41672 0.42094 0.8576 0.1725 1.3339e+05 2023-04-07 15:12:56,518 INFO [main.py:643]
{rank 0/100} MD step = 84000 step time: 00:00:00.017923 Performance: 122.307 ns/day 0.196 hours/ns 7.078 steps/s 2023-04-07 15:13:00,251 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 84000 16800 50.049 -36233 5485.4 -41718 -41718 0.42393 0.85791 0.17359 1.3354e+05 2023-04-07 15:13:05,862 INFO [main.py:643]
{rank 0/100} MD step = 84100 step time: 00:00:00.017927 Performance: 122.357 ns/day 0.196 hours/ns 7.081 steps/s 2023-04-07 15:13:15,642 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 84100 16820 49.894 -36220 5468.4 -41688 -41688 0.42415 0.85881 0.17448 1.3369e+05 2023-04-07 15:13:17,458 INFO [main.py:643]
{rank 0/100} MD step = 84200 step time: 00:00:00.018123 Performance: 122.383 ns/day 0.196 hours/ns 7.082 steps/s 2023-04-07 15:13:29,975 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 84200 16840 49.609 -36213 5437.2 -41650 -41650 0.42468 0.85817 0.17557 1.3384e+05 2023-04-07 15:13:31,823 INFO [main.py:643]
{rank 0/100} MD step = 84300 step time: 00:00:00.018040 Performance: 122.380 ns/day 0.196 hours/ns 7.082 steps/s 2023-04-07 15:13:32,949 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 84300 16860 50.628 -36083 5548.9 -41632 -41632 0.4245 0.85952 0.17691 1.3403e+05 2023-04-07 15:13:34,958 INFO [main.py:643]
{rank 0/100} MD step = 84400 step time: 00:00:00.018001 Performance: 122.493 ns/day 0.196 hours/ns 7.089 steps/s 2023-04-07 15:13:39,086 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 84400 16880 49.38 -36249 5412.2 -41661 -41661 0.4274 0.86069 0.17883 1.3417e+05 2023-04-07 15:13:40,918 INFO [main.py:643]
{rank 0/100} MD step = 84500 step time: 00:00:00.018701 Performance: 122.577 ns/day 0.196 hours/ns 7.094 steps/s 2023-04-07 15:13:50,341 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 84500 16900 49.429 -36235 5417.5 -41653 -41653 0.43178 0.86186 0.17894 1.3432e+05 2023-04-07 15:13:52,153 INFO [main.py:643]
{rank 0/100} MD step = 84600 step time: 00:00:00.017861 Performance: 122.606 ns/day 0.196 hours/ns 7.095 steps/s 2023-04-07 15:14:15,165 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 84600 16920 50.871 -36051 5575.5 -41627 -41627 0.43255 0.8617 0.18132 1.3451e+05 2023-04-07 15:14:17,026 INFO [main.py:643]
{rank 0/100} MD step = 84700 step time: 00:00:00.018013 Performance: 122.496 ns/day 0.196 hours/ns 7.089 steps/s 2023-04-07 15:14:39,093 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 84700 16940 50.123 -36284 5493.6 -41778 -41778 0.43423 0.86123 0.1818 1.3466e+05 2023-04-07 15:14:40,891 INFO [main.py:643]
{rank 0/100} MD step = 84800 step time: 00:00:00.017936 Performance: 122.396 ns/day 0.196 hours/ns 7.083 steps/s 2023-04-07 15:14:45,016 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 84800 16960 49.9 -36312 5469.1 -41781 -41781 0.43504 0.86074 0.18173 1.3483e+05 2023-04-07 15:14:47,034 INFO [main.py:643]
{rank 0/100} MD step = 84900 step time: 00:00:00.019061 Performance: 122.477 ns/day 0.196 hours/ns 7.088 steps/s 2023-04-07 15:14:56,031 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 84900 16980 50.286 -36172 5511.4 -41683 -41683 0.43761 0.86205 0.18299 1.35e+05 2023-04-07 15:14:57,908 INFO [main.py:643]
{rank 0/100} MD step = 85000 step time: 00:00:00.021193 Performance: 122.510 ns/day 0.196 hours/ns 7.090 steps/s 2023-04-07 15:15:08,803 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 85000 17000 49.683 -36211 5445.3 -41656 -41656 0.43962 0.86245 0.18275 1.3516e+05 2023-04-07 15:15:10,775 INFO [main.py:643]
{rank 0/100} MD step = 85100 step time: 00:00:00.018072 Performance: 122.523 ns/day 0.196 hours/ns 7.090 steps/s 2023-04-07 15:15:15,532 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 85100 17020 50.743 -36161 5561.5 -41723 -41723 0.44439 0.86251 0.18283 1.3535e+05 2023-04-07 15:15:17,438 INFO [main.py:643]
{rank 0/100} MD step = 85200 step time: 00:00:00.017974 Performance: 122.599 ns/day 0.196 hours/ns 7.095 steps/s 2023-04-07 15:15:21,567 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 85200 17040 49.967 -36217 5476.4 -41693 -41693 0.44692 0.86384 0.18289 1.3551e+05 2023-04-07 15:15:23,441 INFO [main.py:643]
{rank 0/100} MD step = 85300 step time: 00:00:00.018108 Performance: 122.681 ns/day 0.196 hours/ns 7.100 steps/s 2023-04-07 15:15:36,817 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 85300 17060 50.04 -36233 5484.5 -41718 -41718 0.44707 0.86528 0.18213 1.3565e+05 2023-04-07 15:15:38,876 INFO [main.py:643]
{rank 0/100} MD step = 85400 step time: 00:00:00.017941 Performance: 122.668 ns/day 0.196 hours/ns 7.099 steps/s 2023-04-07 15:15:43,429 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 85400 17080 49.515 -36241 5426.9 -41668 -41668 0.44608 0.86532 0.18286 1.3583e+05 2023-04-07 15:15:45,274 INFO [main.py:643]
{rank 0/100} MD step = 85500 step time: 00:00:00.018079 Performance: 122.746 ns/day 0.196 hours/ns 7.103 steps/s 2023-04-07 15:15:54,026 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 85500 17100 49.372 -36292 5411.3 -41703 -41703 0.44759 0.86527 0.18474 1.3598e+05 2023-04-07 15:15:55,882 INFO [main.py:643]
{rank 0/100} MD step = 85600 step time: 00:00:00.017925 Performance: 122.781 ns/day 0.195 hours/ns 7.105 steps/s 2023-04-07 15:16:05,180 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 85600 17120 50.947 -36172 5583.8 -41756 -41756 0.44473 0.86602 0.18517 1.3615e+05 2023-04-07 15:16:07,069 INFO [main.py:643]
{rank 0/100} MD step = 85700 step time: 00:00:00.017851 Performance: 122.811 ns/day 0.195 hours/ns 7.107 steps/s 2023-04-07 15:16:12,112 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 85700 17140 50.07 -36231 5487.7 -41719 -41719 0.44452 0.86665 0.18532 1.3632e+05 2023-04-07 15:16:14,164 INFO [main.py:643]
{rank 0/100} MD step = 85800 step time: 00:00:00.017945 Performance: 122.882 ns/day 0.195 hours/ns 7.111 steps/s 2023-04-07 15:16:22,311 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 85800 17160 49.696 -36320 5446.7 -41767 -41767 0.44524 0.86828 0.18579 1.3647e+05 2023-04-07 15:16:24,515 INFO [main.py:643]
{rank 0/100} MD step = 85900 step time: 00:00:00.017844 Performance: 122.920 ns/day 0.195 hours/ns 7.113 steps/s 2023-04-07 15:16:38,877 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 85900 17180 49.804 -36300 5458.5 -41759 -41759 0.44806 0.86997 0.18664 1.3664e+05 2023-04-07 15:16:40,803 INFO [main.py:643]
{rank 0/100} MD step = 86000 step time: 00:00:00.017896 Performance: 122.897 ns/day 0.195 hours/ns 7.112 steps/s 2023-04-07 15:16:50,610 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 86000 17200 49.978 -36235 5477.7 -41712 -41712 0.44953 0.87074 0.18683 1.3681e+05 2023-04-07 15:16:52,541 INFO [main.py:643]
{rank 0/100} MD step = 86100 step time: 00:00:00.017960 Performance: 122.920 ns/day 0.195 hours/ns 7.113 steps/s 2023-04-07 15:17:04,773 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 86100 17220 49.549 -36313 5430.6 -41744 -41744 0.45029 0.87186 0.1867 1.3698e+05 2023-04-07 15:17:06,758 INFO [main.py:643]
{rank 0/100} MD step = 86200 step time: 00:00:00.017952 Performance: 122.919 ns/day 0.195 hours/ns 7.113 steps/s 2023-04-07 15:17:15,936 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 86200 17240 49.445 -36313 5419.2 -41732 -41732 0.45124 0.87227 0.189 1.3716e+05 2023-04-07 15:17:21,366 INFO [main.py:643]
{rank 0/100} MD step = 86300 step time: 00:00:00.018016 Performance: 122.913 ns/day 0.195 hours/ns 7.113 steps/s 2023-04-07 15:17:22,870 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 86300 17260 49.777 -36302 5455.6 -41758 -41758 0.45194 0.87353 0.19013 1.3734e+05 2023-04-07 15:17:24,721 INFO [main.py:643]
{rank 0/100} MD step = 86400 step time: 00:00:00.017949 Performance: 123.022 ns/day 0.195 hours/ns 7.119 steps/s 2023-04-07 15:17:32,657 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 86400 17280 49.861 -36265 5464.8 -41730 -41730 0.45075 0.87554 0.19026 1.3749e+05 2023-04-07 15:17:34,541 INFO [main.py:643]
{rank 0/100} MD step = 86500 step time: 00:00:00.017909 Performance: 123.064 ns/day 0.195 hours/ns 7.122 steps/s 2023-04-07 15:17:56,468 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 86500 17300 50.162 -36189 5497.8 -41687 -41687 0.45403 0.87803 0.19241 1.3767e+05 2023-04-07 15:18:01,960 INFO [main.py:643]
{rank 0/100} MD step = 86600 step time: 00:00:00.017912 Performance: 122.929 ns/day 0.195 hours/ns 7.114 steps/s 2023-04-07 15:18:11,649 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 86600 17320 49.801 -36259 5458.3 -41717 -41717 0.45926 0.88005 0.19142 1.3783e+05 2023-04-07 15:18:13,593 INFO [main.py:643]
{rank 0/100} MD step = 86700 step time: 00:00:00.019940 Performance: 122.954 ns/day 0.195 hours/ns 7.115 steps/s 2023-04-07 15:18:22,192 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 86700 17340 49.574 -36190 5433.3 -41623 -41623 0.46302 0.88056 0.1911 1.3799e+05 2023-04-07 15:18:24,385 INFO [main.py:643]
{rank 0/100} MD step = 86800 step time: 00:00:00.017975 Performance: 122.987 ns/day 0.195 hours/ns 7.117 steps/s 2023-04-07 15:18:41,719 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 86800 17360 50.834 -36137 5571.5 -41709 -41709 0.46437 0.88268 0.19086 1.3814e+05 2023-04-07 15:18:43,629 INFO [main.py:643]
{rank 0/100} MD step = 86900 step time: 00:00:00.018102 Performance: 122.934 ns/day 0.195 hours/ns 7.114 steps/s 2023-04-07 15:18:56,385 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 86900 17380 50.935 -36022 5582.5 -41604 -41604 0.46626 0.88306 0.19108 1.3826e+05 2023-04-07 15:18:58,235 INFO [main.py:643]
{rank 0/100} MD step = 87000 step time: 00:00:00.017936 Performance: 122.929 ns/day 0.195 hours/ns 7.114 steps/s 2023-04-07 15:18:59,397 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 87000 17400 49.573 -36325 5433.3 -41758 -41758 0.4662 0.88144 0.19261 1.384e+05 2023-04-07 15:19:01,285 INFO [main.py:643]
{rank 0/100} MD step = 87100 step time: 00:00:00.017969 Performance: 123.039 ns/day 0.195 hours/ns 7.120 steps/s 2023-04-07 15:19:09,248 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 87100 17420 49.612 -36281 5437.5 -41719 -41719 0.46823 0.88403 0.19363 1.3857e+05 2023-04-07 15:19:11,130 INFO [main.py:643]
{rank 0/100} MD step = 87200 step time: 00:00:00.017787 Performance: 123.082 ns/day 0.195 hours/ns 7.123 steps/s 2023-04-07 15:19:24,490 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 87200 17440 50.799 -36077 5567.7 -41645 -41645 0.46816 0.88375 0.1942 1.3875e+05 2023-04-07 15:19:26,512 INFO [main.py:643]
{rank 0/100} MD step = 87300 step time: 00:00:00.017854 Performance: 123.068 ns/day 0.195 hours/ns 7.122 steps/s 2023-04-07 15:19:39,373 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 87300 17460 50.526 -36168 5537.7 -41706 -41706 0.46888 0.88371 0.1939 1.3888e+05 2023-04-07 15:19:41,211 INFO [main.py:643]
{rank 0/100} MD step = 87400 step time: 00:00:00.018207 Performance: 123.062 ns/day 0.195 hours/ns 7.122 steps/s 2023-04-07 15:19:45,848 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 87400 17480 50.185 -36216 5500.4 -41716 -41716 0.46995 0.88424 0.19319 1.3903e+05 2023-04-07 15:19:47,871 INFO [main.py:643]
{rank 0/100} MD step = 87500 step time: 00:00:00.020903 Performance: 123.135 ns/day 0.195 hours/ns 7.126 steps/s 2023-04-07 15:19:56,564 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 87500 17500 49.823 -36302 5460.6 -41763 -41763 0.47268 0.88409 0.19137 1.3918e+05 2023-04-07 15:19:58,475 INFO [main.py:643]
{rank 0/100} MD step = 87600 step time: 00:00:00.017980 Performance: 123.170 ns/day 0.195 hours/ns 7.128 steps/s 2023-04-07 15:20:02,873 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 87600 17520 49.538 -36194 5429.4 -41624 -41624 0.47642 0.88669 0.19254 1.3937e+05 2023-04-07 15:20:05,271 INFO [main.py:643]
{rank 0/100} MD step = 87700 step time: 00:00:00.018174 Performance: 123.242 ns/day 0.195 hours/ns 7.132 steps/s 2023-04-07 15:20:09,984 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 87700 17540 49.109 -36228 5382.4 -41610 -41610 0.47678 0.8879 0.19184 1.3953e+05 2023-04-07 15:20:11,811 INFO [main.py:643]
{rank 0/100} MD step = 87800 step time: 00:00:00.017987 Performance: 123.317 ns/day 0.195 hours/ns 7.136 steps/s 2023-04-07 15:20:28,580 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 87800 17560 50.285 -36229 5511.3 -41740 -41740 0.47692 0.88889 0.19251 1.3967e+05 2023-04-07 15:20:30,615 INFO [main.py:643]
{rank 0/100} MD step = 87900 step time: 00:00:00.017988 Performance: 123.269 ns/day 0.195 hours/ns 7.134 steps/s 2023-04-07 15:21:09,411 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 87900 17580 50.92 -36157 5580.8 -41738 -41738 0.47992 0.88948 0.19453 1.3981e+05 2023-04-07 15:21:11,376 INFO [main.py:643]
{rank 0/100} MD step = 88000 step time: 00:00:00.018064 Performance: 123.003 ns/day 0.195 hours/ns 7.118 steps/s 2023-04-07 15:21:20,075 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 88000 17600 49.586 -36211 5434.7 -41645 -41645 0.47799 0.89075 0.19502 1.3999e+05 2023-04-07 15:21:22,014 INFO [main.py:643]
{rank 0/100} MD step = 88100 step time: 00:00:00.017928 Performance: 123.037 ns/day 0.195 hours/ns 7.120 steps/s 2023-04-07 15:21:26,781 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 88100 17620 50.603 -36163 5546.2 -41709 -41709 0.47802 0.89247 0.19628 1.4014e+05 2023-04-07 15:21:28,739 INFO [main.py:643]
{rank 0/100} MD step = 88200 step time: 00:00:00.018112 Performance: 123.109 ns/day 0.195 hours/ns 7.124 steps/s 2023-04-07 15:21:37,539 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 88200 17640 50.184 -36126 5500.2 -41626 -41626 0.48262 0.8931 0.19611 1.4033e+05 2023-04-07 15:21:43,297 INFO [main.py:643]
{rank 0/100} MD step = 88300 step time: 00:00:00.018016 Performance: 123.104 ns/day 0.195 hours/ns 7.124 steps/s 2023-04-07 15:21:48,499 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 88300 17660 50.111 -36177 5492.3 -41670 -41670 0.4874 0.89336 0.1971 1.4047e+05 2023-04-07 15:21:50,448 INFO [main.py:643]
{rank 0/100} MD step = 88400 step time: 00:00:00.018037 Performance: 123.172 ns/day 0.195 hours/ns 7.128 steps/s 2023-04-07 15:22:03,354 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 88400 17680 49.598 -36183 5436 -41619 -41619 0.4886 0.89322 0.19905 1.4063e+05 2023-04-07 15:22:05,160 INFO [main.py:643]
{rank 0/100} MD step = 88500 step time: 00:00:00.017996 Performance: 123.166 ns/day 0.195 hours/ns 7.128 steps/s 2023-04-07 15:22:15,268 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 88500 17700 49.611 -36247 5437.4 -41684 -41684 0.49103 0.8935 0.20058 1.4077e+05 2023-04-07 15:22:17,162 INFO [main.py:643]
{rank 0/100} MD step = 88600 step time: 00:00:00.017974 Performance: 123.186 ns/day 0.195 hours/ns 7.129 steps/s 2023-04-07 15:22:29,326 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 88600 17720 49.567 -36242 5432.6 -41675 -41675 0.49561 0.89288 0.20161 1.4095e+05 2023-04-07 15:22:31,147 INFO [main.py:643]
{rank 0/100} MD step = 88700 step time: 00:00:00.018082 Performance: 123.186 ns/day 0.195 hours/ns 7.129 steps/s 2023-04-07 15:22:44,473 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 88700 17740 49.998 -36240 5479.9 -41720 -41720 0.49994 0.89439 0.20295 1.411e+05 2023-04-07 15:22:46,280 INFO [main.py:643]
{rank 0/100} MD step = 88800 step time: 00:00:00.017819 Performance: 123.175 ns/day 0.195 hours/ns 7.128 steps/s 2023-04-07 15:22:58,875 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 88800 17760 49.415 -36232 5415.9 -41648 -41648 0.50316 0.89491 0.20327 1.4127e+05 2023-04-07 15:23:00,943 INFO [main.py:643]
{rank 0/100} MD step = 88900 step time: 00:00:00.017886 Performance: 123.169 ns/day 0.195 hours/ns 7.128 steps/s 2023-04-07 15:23:18,213 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 88900 17780 50.305 -36211 5513.5 -41724 -41724 0.50437 0.8959 0.20484 1.4142e+05 2023-04-07 15:23:20,285 INFO [main.py:643]
{rank 0/100} MD step = 89000 step time: 00:00:00.017924 Performance: 123.117 ns/day 0.195 hours/ns 7.125 steps/s 2023-04-07 15:23:35,712 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 89000 17800 50.253 -36264 5507.8 -41772 -41772 0.50281 0.89719 0.20595 1.4157e+05 2023-04-07 15:23:38,061 INFO [main.py:643]
{rank 0/100} MD step = 89100 step time: 00:00:00.017912 Performance: 123.080 ns/day 0.195 hours/ns 7.123 steps/s 2023-04-07 15:23:46,057 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 89100 17820 49.928 -36190 5472.2 -41662 -41662 0.50426 0.89836 0.20623 1.4175e+05 2023-04-07 15:23:47,868 INFO [main.py:643]
{rank 0/100} MD step = 89200 step time: 00:00:00.021073 Performance: 123.121 ns/day 0.195 hours/ns 7.125 steps/s 2023-04-07 15:24:01,301 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 89200 17840 50.326 -36188 5515.8 -41704 -41704 0.50422 0.89986 0.207 1.419e+05 2023-04-07 15:24:03,391 INFO [main.py:643]
{rank 0/100} MD step = 89300 step time: 00:00:00.018130 Performance: 123.107 ns/day 0.195 hours/ns 7.124 steps/s 2023-04-07 15:24:24,754 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 89300 17860 49.75 -36161 5452.7 -41613 -41613 0.50502 0.90157 0.20545 1.4208e+05 2023-04-07 15:24:26,560 INFO [main.py:643]
{rank 0/100} MD step = 89400 step time: 00:00:00.017905 Performance: 123.017 ns/day 0.195 hours/ns 7.119 steps/s 2023-04-07 15:24:37,931 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 89400 17880 49.557 -36177 5431.5 -41609 -41609 0.50719 0.90304 0.20687 1.4224e+05 2023-04-07 15:24:39,789 INFO [main.py:643]
{rank 0/100} MD step = 89500 step time: 00:00:00.018048 Performance: 123.025 ns/day 0.195 hours/ns 7.120 steps/s 2023-04-07 15:24:40,972 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 89500 17900 50.425 -36238 5526.6 -41765 -41765 0.50886 0.90382 0.2074 1.4236e+05 2023-04-07 15:24:42,861 INFO [main.py:643]
{rank 0/100} MD step = 89600 step time: 00:00:00.018017 Performance: 123.133 ns/day 0.195 hours/ns 7.126 steps/s 2023-04-07 15:24:51,118 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 89600 17920 49.733 -36173 5450.8 -41623 -41623 0.50921 0.90496 0.20607 1.4254e+05 2023-04-07 15:24:52,941 INFO [main.py:643]
{rank 0/100} MD step = 89700 step time: 00:00:00.017854 Performance: 123.171 ns/day 0.195 hours/ns 7.128 steps/s 2023-04-07 15:25:06,701 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 89700 17940 49.621 -36209 5438.5 -41647 -41647 0.50868 0.90513 0.20662 1.4271e+05 2023-04-07 15:25:08,540 INFO [main.py:643]
{rank 0/100} MD step = 89800 step time: 00:00:00.017923 Performance: 123.156 ns/day 0.195 hours/ns 7.127 steps/s 2023-04-07 15:25:13,456 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 89800 17960 49.5 -36335 5425.2 -41761 -41761 0.51153 0.90578 0.20744 1.4285e+05 2023-04-07 15:25:15,377 INFO [main.py:643]
{rank 0/100} MD step = 89900 step time: 00:00:00.017944 Performance: 123.226 ns/day 0.195 hours/ns 7.131 steps/s 2023-04-07 15:25:19,181 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 89900 17980 50.191 -36129 5501 -41630 -41630 0.51216 0.90576 0.20684 1.4302e+05 2023-04-07 15:25:21,014 INFO [main.py:643]
{rank 0/100} MD step = 90000 step time: 00:00:00.018001 Performance: 123.308 ns/day 0.195 hours/ns 7.136 steps/s 2023-04-07 15:25:29,374 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 90000 18000 50.618 -36090 5547.8 -41638 -41638 0.51419 0.90686 0.20618 1.4318e+05 2023-04-07 15:25:39,828 INFO [main.py:643]
{rank 0/100} MD step = 90100 step time: 00:00:00.017936 Performance: 123.261 ns/day 0.195 hours/ns 7.133 steps/s 2023-04-07 15:25:40,913 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 90100 18020 50.529 -36077 5538 -41615 -41615 0.5172 0.90765 0.20666 1.4334e+05 2023-04-07 15:25:42,906 INFO [main.py:643]
{rank 0/100} MD step = 90200 step time: 00:00:00.018064 Performance: 123.368 ns/day 0.195 hours/ns 7.139 steps/s 2023-04-07 15:25:47,376 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 90200 18040 50.447 -36068 5529 -41597 -41597 0.51911 0.90641 0.2085 1.4348e+05 2023-04-07 15:25:49,253 INFO [main.py:643]
{rank 0/100} MD step = 90300 step time: 00:00:00.017903 Performance: 123.443 ns/day 0.194 hours/ns 7.144 steps/s 2023-04-07 15:25:57,052 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 90300 18060 50.783 -36092 5565.9 -41658 -41658 0.5203 0.9077 0.20886 1.4365e+05 2023-04-07 15:25:58,927 INFO [main.py:643]
{rank 0/100} MD step = 90400 step time: 00:00:00.018045 Performance: 123.485 ns/day 0.194 hours/ns 7.146 steps/s 2023-04-07 15:26:10,493 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 90400 18080 50.067 -36299 5487.4 -41787 -41787 0.52203 0.90788 0.20727 1.4379e+05 2023-04-07 15:26:12,462 INFO [main.py:643]
{rank 0/100} MD step = 90500 step time: 00:00:00.018081 Performance: 123.489 ns/day 0.194 hours/ns 7.146 steps/s 2023-04-07 15:26:13,663 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 90500 18100 50.518 -36125 5536.8 -41662 -41662 0.52418 0.90687 0.20659 1.4399e+05 2023-04-07 15:26:18,245 INFO [main.py:643]
{rank 0/100} MD step = 90600 step time: 00:00:00.019018 Performance: 123.570 ns/day 0.194 hours/ns 7.151 steps/s 2023-04-07 15:26:18,943 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 90600 18120 51.044 -36081 5594.5 -41676 -41676 0.52482 0.90803 0.20538 1.4413e+05 2023-04-07 15:26:24,082 INFO [main.py:643]
{rank 0/100} MD step = 90700 step time: 00:00:00.017886 Performance: 123.649 ns/day 0.194 hours/ns 7.156 steps/s 2023-04-07 15:26:27,401 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 90700 18140 50.534 -36264 5538.6 -41802 -41802 0.52555 0.91047 0.20705 1.4428e+05 2023-04-07 15:26:29,322 INFO [main.py:643]
{rank 0/100} MD step = 90800 step time: 00:00:00.018469 Performance: 123.734 ns/day 0.194 hours/ns 7.161 steps/s 2023-04-07 15:26:38,269 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 90800 18160 50.24 -36139 5506.3 -41646 -41646 0.52689 0.91146 0.20591 1.4447e+05 2023-04-07 15:26:40,079 INFO [main.py:643]
{rank 0/100} MD step = 90900 step time: 00:00:00.018087 Performance: 123.765 ns/day 0.194 hours/ns 7.162 steps/s 2023-04-07 15:26:40,768 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 90900 18180 50.09 -36187 5489.9 -41677 -41677 0.52817 0.91251 0.20807 1.4462e+05 2023-04-07 15:26:43,073 INFO [main.py:643]
{rank 0/100} MD step = 91000 step time: 00:00:00.025903 Performance: 123.872 ns/day 0.194 hours/ns 7.169 steps/s 2023-04-07 15:26:44,227 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 91000 18200 49.868 -36206 5465.6 -41672 -41672 0.53042 0.91276 0.20719 1.448e+05 2023-04-07 15:26:46,064 INFO [main.py:643]
{rank 0/100} MD step = 91100 step time: 00:00:00.017956 Performance: 123.979 ns/day 0.194 hours/ns 7.175 steps/s 2023-04-07 15:26:59,518 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 91100 18220 50.246 -36134 5507.1 -41641 -41641 0.53275 0.9131 0.20662 1.4495e+05 2023-04-07 15:27:01,372 INFO [main.py:643]
{rank 0/100} MD step = 91200 step time: 00:00:00.017929 Performance: 123.966 ns/day 0.194 hours/ns 7.174 steps/s 2023-04-07 15:27:18,922 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 91200 18240 49.156 -36340 5387.5 -41727 -41727 0.53313 0.91281 0.20826 1.4512e+05 2023-04-07 15:27:20,885 INFO [main.py:643]
{rank 0/100} MD step = 91300 step time: 00:00:00.018027 Performance: 123.912 ns/day 0.194 hours/ns 7.171 steps/s 2023-04-07 15:27:26,103 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 91300 18260 50.521 -36221 5537.2 -41759 -41759 0.53541 0.91258 0.20816 1.4525e+05 2023-04-07 15:27:27,968 INFO [main.py:643]
{rank 0/100} MD step = 91400 step time: 00:00:00.018020 Performance: 123.978 ns/day 0.194 hours/ns 7.175 steps/s 2023-04-07 15:27:40,267 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 91400 18280 50.195 -36264 5501.5 -41765 -41765 0.53767 0.91424 0.20915 1.4543e+05 2023-04-07 15:27:42,307 INFO [main.py:643]
{rank 0/100} MD step = 91500 step time: 00:00:00.018169 Performance: 123.974 ns/day 0.194 hours/ns 7.174 steps/s 2023-04-07 15:27:59,569 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 91500 18300 50.011 -36192 5481.2 -41674 -41674 0.54092 0.91553 0.20944 1.456e+05 2023-04-07 15:28:01,601 INFO [main.py:643]
{rank 0/100} MD step = 91600 step time: 00:00:00.018034 Performance: 123.922 ns/day 0.194 hours/ns 7.171 steps/s 2023-04-07 15:28:10,174 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 91600 18320 49.793 -36390 5457.4 -41847 -41847 0.54122 0.9157 0.21015 1.4574e+05 2023-04-07 15:28:12,503 INFO [main.py:643]
{rank 0/100} MD step = 91700 step time: 00:00:00.017920 Performance: 123.952 ns/day 0.194 hours/ns 7.173 steps/s 2023-04-07 15:28:16,829 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 91700 18340 50.357 -36168 5519.2 -41687 -41687 0.54289 0.91712 0.20912 1.459e+05 2023-04-07 15:28:18,720 INFO [main.py:643]
{rank 0/100} MD step = 91800 step time: 00:00:00.018089 Performance: 124.027 ns/day 0.194 hours/ns 7.177 steps/s 2023-04-07 15:28:27,727 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 91800 18360 50.218 -36190 5504 -41694 -41694 0.54456 0.91792 0.20849 1.4607e+05 2023-04-07 15:28:29,568 INFO [main.py:643]
{rank 0/100} MD step = 91900 step time: 00:00:00.018114 Performance: 124.057 ns/day 0.193 hours/ns 7.179 steps/s 2023-04-07 15:28:53,226 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 91900 18380 49.427 -36292 5417.3 -41709 -41709 0.54516 0.91702 0.21012 1.4621e+05 2023-04-07 15:28:55,138 INFO [main.py:643]
{rank 0/100} MD step = 92000 step time: 00:00:00.017785 Performance: 123.944 ns/day 0.194 hours/ns 7.173 steps/s 2023-04-07 15:28:59,997 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 92000 18400 50.332 -36232 5516.5 -41748 -41748 0.54704 0.91625 0.21064 1.4638e+05 2023-04-07 15:29:01,872 INFO [main.py:643]
{rank 0/100} MD step = 92100 step time: 00:00:00.018124 Performance: 124.014 ns/day 0.194 hours/ns 7.177 steps/s 2023-04-07 15:29:11,102 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 92100 18420 49.709 -36292 5448.2 -41740 -41740 0.54817 0.91666 0.21344 1.4653e+05 2023-04-07 15:29:13,024 INFO [main.py:643]
{rank 0/100} MD step = 92200 step time: 00:00:00.018314 Performance: 124.041 ns/day 0.193 hours/ns 7.178 steps/s 2023-04-07 15:29:38,451 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 92200 18440 50.139 -36256 5495.3 -41751 -41751 0.5492 0.91847 0.21296 1.4673e+05 2023-04-07 15:29:40,524 INFO [main.py:643]
{rank 0/100} MD step = 92300 step time: 00:00:00.018162 Performance: 123.910 ns/day 0.194 hours/ns 7.171 steps/s 2023-04-07 15:29:54,042 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 92300 18460 49.678 -36214 5444.8 -41659 -41659 0.55227 0.9182 0.21477 1.469e+05 2023-04-07 15:29:59,574 INFO [main.py:643]
{rank 0/100} MD step = 92400 step time: 00:00:00.018205 Performance: 123.861 ns/day 0.194 hours/ns 7.168 steps/s 2023-04-07 15:30:04,366 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 92400 18480 50.275 -36230 5510.2 -41740 -41740 0.55231 0.91852 0.21475 1.4704e+05 2023-04-07 15:30:06,206 INFO [main.py:643]
{rank 0/100} MD step = 92500 step time: 00:00:00.018210 Performance: 123.931 ns/day 0.194 hours/ns 7.172 steps/s 2023-04-07 15:30:23,745 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 92500 18500 48.813 -36417 5350 -41767 -41767 0.55601 0.91845 0.2166 1.4721e+05 2023-04-07 15:30:25,623 INFO [main.py:643]
{rank 0/100} MD step = 92600 step time: 00:00:00.018067 Performance: 123.879 ns/day 0.194 hours/ns 7.169 steps/s 2023-04-07 15:30:34,918 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 92600 18520 49.713 -36236 5448.6 -41684 -41684 0.55712 0.91978 0.21742 1.4739e+05 2023-04-07 15:30:36,789 INFO [main.py:643]
{rank 0/100} MD step = 92700 step time: 00:00:00.018029 Performance: 123.905 ns/day 0.194 hours/ns 7.170 steps/s 2023-04-07 15:30:41,693 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 92700 18540 49.652 -36295 5441.9 -41737 -41737 0.55955 0.91976 0.21829 1.4756e+05 2023-04-07 15:30:46,654 INFO [main.py:643]
{rank 0/100} MD step = 92800 step time: 00:00:00.018021 Performance: 123.944 ns/day 0.194 hours/ns 7.173 steps/s 2023-04-07 15:30:59,880 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 92800 18560 49.655 -36216 5442.2 -41659 -41659 0.55956 0.91867 0.21723 1.4773e+05 2023-04-07 15:31:02,168 INFO [main.py:643]
{rank 0/100} MD step = 92900 step time: 00:00:00.018981 Performance: 123.929 ns/day 0.194 hours/ns 7.172 steps/s 2023-04-07 15:31:03,415 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 92900 18580 49.705 -36181 5447.8 -41629 -41629 0.56206 0.91967 0.21968 1.479e+05 2023-04-07 15:31:05,352 INFO [main.py:643]
{rank 0/100} MD step = 93000 step time: 00:00:00.017935 Performance: 124.032 ns/day 0.193 hours/ns 7.178 steps/s 2023-04-07 15:31:13,329 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 93000 18600 50.416 -36120 5525.7 -41645 -41645 0.56176 0.92 0.2209 1.4805e+05 2023-04-07 15:31:15,272 INFO [main.py:643]
{rank 0/100} MD step = 93100 step time: 00:00:00.017886 Performance: 124.071 ns/day 0.193 hours/ns 7.180 steps/s 2023-04-07 15:31:49,454 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 93100 18620 49.38 -36266 5412.1 -41678 -41678 0.56199 0.92001 0.22234 1.4819e+05 2023-04-07 15:31:51,435 INFO [main.py:643]
{rank 0/100} MD step = 93200 step time: 00:00:00.017953 Performance: 123.858 ns/day 0.194 hours/ns 7.168 steps/s 2023-04-07 15:32:25,997 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 93200 18640 49.994 -36283 5479.4 -41762 -41762 0.55973 0.9218 0.22346 1.4834e+05 2023-04-07 15:32:27,943 INFO [main.py:643]
{rank 0/100} MD step = 93300 step time: 00:00:00.018084 Performance: 123.644 ns/day 0.194 hours/ns 7.155 steps/s 2023-04-07 15:32:40,912 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 93300 18660 49.78 -36184 5456 -41640 -41640 0.56131 0.92276 0.2238 1.4853e+05 2023-04-07 15:32:42,898 INFO [main.py:643]
{rank 0/100} MD step = 93400 step time: 00:00:00.017940 Performance: 123.635 ns/day 0.194 hours/ns 7.155 steps/s 2023-04-07 15:33:00,642 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 93400 18680 50.489 -36055 5533.7 -41588 -41588 0.5655 0.92431 0.22458 1.4868e+05 2023-04-07 15:33:02,474 INFO [main.py:643]
{rank 0/100} MD step = 93500 step time: 00:00:00.018141 Performance: 123.582 ns/day 0.194 hours/ns 7.152 steps/s 2023-04-07 15:33:11,372 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 93500 18700 50.369 -36112 5520.6 -41632 -41632 0.57167 0.92539 0.2258 1.4884e+05 2023-04-07 15:33:13,203 INFO [main.py:643]
{rank 0/100} MD step = 93600 step time: 00:00:00.017961 Performance: 123.613 ns/day 0.194 hours/ns 7.154 steps/s 2023-04-07 15:33:17,973 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 93600 18720 49.194 -36319 5391.7 -41711 -41711 0.57154 0.92702 0.22756 1.4898e+05 2023-04-07 15:33:19,815 INFO [main.py:643]
{rank 0/100} MD step = 93700 step time: 00:00:00.017972 Performance: 123.682 ns/day 0.194 hours/ns 7.158 steps/s 2023-04-07 15:33:50,083 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 93700 18740 50.095 -36173 5490.5 -41663 -41663 0.57584 0.92705 0.22738 1.4914e+05 2023-04-07 15:33:51,894 INFO [main.py:643]
{rank 0/100} MD step = 93800 step time: 00:00:00.018021 Performance: 123.512 ns/day 0.194 hours/ns 7.148 steps/s 2023-04-07 15:34:05,579 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 93800 18760 50.012 -36177 5481.4 -41658 -41658 0.5767 0.92795 0.22599 1.4932e+05 2023-04-07 15:34:07,627 INFO [main.py:643]
{rank 0/100} MD step = 93900 step time: 00:00:00.018114 Performance: 123.495 ns/day 0.194 hours/ns 7.147 steps/s 2023-04-07 15:34:15,464 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 93900 18780 50.193 -36208 5501.2 -41709 -41709 0.57784 0.92756 0.22526 1.4946e+05 2023-04-07 15:34:17,486 INFO [main.py:643]
{rank 0/100} MD step = 94000 step time: 00:00:00.020095 Performance: 123.534 ns/day 0.194 hours/ns 7.149 steps/s 2023-04-07 15:34:30,438 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 94000 18800 50.412 -36180 5525.3 -41705 -41705 0.57988 0.92935 0.22597 1.4964e+05 2023-04-07 15:34:32,360 INFO [main.py:643]
{rank 0/100} MD step = 94100 step time: 00:00:00.018030 Performance: 123.526 ns/day 0.194 hours/ns 7.148 steps/s 2023-04-07 15:34:37,552 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 94100 18820 50.108 -36186 5491.8 -41678 -41678 0.58307 0.92907 0.2262 1.4979e+05 2023-04-07 15:34:39,384 INFO [main.py:643]
{rank 0/100} MD step = 94200 step time: 00:00:00.017973 Performance: 123.591 ns/day 0.194 hours/ns 7.152 steps/s 2023-04-07 15:34:52,379 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 94200 18840 50.085 -36307 5489.4 -41796 -41796 0.58377 0.92998 0.22645 1.4996e+05 2023-04-07 15:34:54,229 INFO [main.py:643]
{rank 0/100} MD step = 94300 step time: 00:00:00.018240 Performance: 123.583 ns/day 0.194 hours/ns 7.152 steps/s 2023-04-07 15:35:03,025 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 94300 18860 49.766 -36206 5454.4 -41660 -41660 0.58478 0.93026 0.22512 1.5013e+05 2023-04-07 15:35:17,278 INFO [main.py:643]
{rank 0/100} MD step = 94400 step time: 00:00:00.017987 Performance: 123.498 ns/day 0.194 hours/ns 7.147 steps/s 2023-04-07 15:35:26,725 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 94400 18880 49.123 -36332 5384 -41716 -41716 0.58558 0.932 0.22542 1.5027e+05 2023-04-07 15:35:28,714 INFO [main.py:643]
{rank 0/100} MD step = 94500 step time: 00:00:00.017990 Performance: 123.522 ns/day 0.194 hours/ns 7.148 steps/s 2023-04-07 15:35:41,665 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 94500 18900 50.014 -36248 5481.6 -41730 -41730 0.58842 0.93129 0.22653 1.5042e+05 2023-04-07 15:35:43,625 INFO [main.py:643]
{rank 0/100} MD step = 94600 step time: 00:00:00.018030 Performance: 123.513 ns/day 0.194 hours/ns 7.148 steps/s 2023-04-07 15:36:05,442 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 94600 18920 50.236 -36201 5505.9 -41707 -41707 0.59095 0.9324 0.22737 1.5061e+05 2023-04-07 15:36:10,941 INFO [main.py:643]
{rank 0/100} MD step = 94700 step time: 00:00:00.018131 Performance: 123.389 ns/day 0.195 hours/ns 7.141 steps/s 2023-04-07 15:36:11,833 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 94700 18940 50.158 -36202 5497.3 -41699 -41699 0.59073 0.93711 0.22839 1.5078e+05 2023-04-07 15:36:14,353 INFO [main.py:643]
{rank 0/100} MD step = 94800 step time: 00:00:00.018102 Performance: 123.488 ns/day 0.194 hours/ns 7.146 steps/s 2023-04-07 15:36:30,832 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 94800 18960 50.237 -36289 5506.1 -41795 -41795 0.58739 0.93699 0.22916 1.5095e+05 2023-04-07 15:36:32,728 INFO [main.py:643]
{rank 0/100} MD step = 94900 step time: 00:00:00.017964 Performance: 123.447 ns/day 0.194 hours/ns 7.144 steps/s 2023-04-07 15:36:58,675 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 94900 18980 50.062 -36223 5486.9 -41710 -41710 0.59165 0.93997 0.22796 1.5112e+05 2023-04-07 15:37:00,659 INFO [main.py:643]
{rank 0/100} MD step = 95000 step time: 00:00:00.017949 Performance: 123.318 ns/day 0.195 hours/ns 7.136 steps/s 2023-04-07 15:37:17,991 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 95000 19000 49.799 -36240 5458.1 -41698 -41698 0.59486 0.94183 0.22874 1.5129e+05 2023-04-07 15:37:19,952 INFO [main.py:643]
{rank 0/100} MD step = 95100 step time: 00:00:00.018032 Performance: 123.269 ns/day 0.195 hours/ns 7.134 steps/s 2023-04-07 15:37:30,033 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 95100 19020 49.287 -36322 5401.9 -41724 -41724 0.59628 0.94363 0.22931 1.5146e+05 2023-04-07 15:37:31,985 INFO [main.py:643]
{rank 0/100} MD step = 95200 step time: 00:00:00.018189 Performance: 123.287 ns/day 0.195 hours/ns 7.135 steps/s 2023-04-07 15:37:48,407 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 95200 19040 49.965 -36260 5476.3 -41736 -41736 0.59546 0.94671 0.22917 1.5158e+05 2023-04-07 15:37:50,249 INFO [main.py:643]
{rank 0/100} MD step = 95300 step time: 00:00:00.017964 Performance: 123.248 ns/day 0.195 hours/ns 7.132 steps/s 2023-04-07 15:37:58,881 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 95300 19060 50.33 -36202 5516.3 -41718 -41718 0.5947 0.94759 0.22965 1.5175e+05 2023-04-07 15:38:05,092 INFO [main.py:643]
{rank 0/100} MD step = 95400 step time: 00:00:00.017992 Performance: 123.241 ns/day 0.195 hours/ns 7.132 steps/s 2023-04-07 15:38:13,963 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 95400 19080 49.632 -36108 5439.8 -41548 -41548 0.59733 0.94807 0.22984 1.5194e+05 2023-04-07 15:38:15,942 INFO [main.py:643]
{rank 0/100} MD step = 95500 step time: 00:00:00.017989 Performance: 123.270 ns/day 0.195 hours/ns 7.134 steps/s 2023-04-07 15:38:41,764 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 95500 19100 49.767 -36277 5454.5 -41732 -41732 0.59952 0.94832 0.23074 1.5207e+05 2023-04-07 15:38:43,669 INFO [main.py:643]
{rank 0/100} MD step = 95600 step time: 00:00:00.018002 Performance: 123.144 ns/day 0.195 hours/ns 7.126 steps/s 2023-04-07 15:39:09,923 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 95600 19120 50.216 -36226 5503.8 -41730 -41730 0.60022 0.94938 0.23255 1.5221e+05 2023-04-07 15:39:12,000 INFO [main.py:643]
{rank 0/100} MD step = 95700 step time: 00:00:00.018119 Performance: 123.013 ns/day 0.195 hours/ns 7.119 steps/s 2023-04-07 15:39:24,720 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 95700 19140 49.762 -36252 5454 -41706 -41706 0.60108 0.95044 0.23266 1.5239e+05 2023-04-07 15:39:26,618 INFO [main.py:643]
{rank 0/100} MD step = 95800 step time: 00:00:00.017994 Performance: 123.008 ns/day 0.195 hours/ns 7.118 steps/s 2023-04-07 15:39:35,246 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 95800 19160 49.89 -36296 5468 -41764 -41764 0.60375 0.95104 0.23316 1.5254e+05 2023-04-07 15:39:41,348 INFO [main.py:643]
{rank 0/100} MD step = 95900 step time: 00:00:00.017908 Performance: 123.001 ns/day 0.195 hours/ns 7.118 steps/s 2023-04-07 15:39:55,333 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 95900 19180 50.069 -36161 5487.6 -41649 -41649 0.60502 0.95085 0.23466 1.527e+05 2023-04-07 15:39:57,269 INFO [main.py:643]
{rank 0/100} MD step = 96000 step time: 00:00:00.018028 Performance: 122.984 ns/day 0.195 hours/ns 7.117 steps/s 2023-04-07 15:40:14,347 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 96000 19200 49.937 -36161 5473.2 -41634 -41634 0.60742 0.95084 0.23296 1.5286e+05 2023-04-07 15:40:20,112 INFO [main.py:643]
{rank 0/100} MD step = 96100 step time: 00:00:00.018257 Performance: 122.904 ns/day 0.195 hours/ns 7.113 steps/s 2023-04-07 15:40:34,255 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 96100 19220 49.879 -36164 5466.8 -41631 -41631 0.61013 0.95133 0.23229 1.53e+05 2023-04-07 15:40:39,364 INFO [main.py:643]
{rank 0/100} MD step = 96200 step time: 00:00:00.018699 Performance: 122.857 ns/day 0.195 hours/ns 7.110 steps/s 2023-04-07 15:40:50,418 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 96200 19240 50.199 -36133 5501.8 -41635 -41635 0.60834 0.95194 0.23276 1.5318e+05 2023-04-07 15:40:52,382 INFO [main.py:643]
{rank 0/100} MD step = 96300 step time: 00:00:00.017991 Performance: 122.867 ns/day 0.195 hours/ns 7.110 steps/s 2023-04-07 15:41:18,576 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 96300 19260 50.79 -36183 5566.6 -41749 -41749 0.60755 0.95327 0.23323 1.5332e+05 2023-04-07 15:41:20,463 INFO [main.py:643]
{rank 0/100} MD step = 96400 step time: 00:00:00.019410 Performance: 122.740 ns/day 0.196 hours/ns 7.103 steps/s 2023-04-07 15:41:42,927 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 96400 19280 49.921 -36238 5471.4 -41709 -41709 0.60752 0.95304 0.23511 1.5348e+05 2023-04-07 15:41:44,756 INFO [main.py:643]
{rank 0/100} MD step = 96500 step time: 00:00:00.017967 Performance: 122.647 ns/day 0.196 hours/ns 7.098 steps/s 2023-04-07 15:41:53,818 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 96500 19300 50.035 -36274 5483.9 -41758 -41758 0.60883 0.95421 0.23432 1.5363e+05 2023-04-07 15:41:55,815 INFO [main.py:643]
{rank 0/100} MD step = 96600 step time: 00:00:00.018050 Performance: 122.675 ns/day 0.196 hours/ns 7.099 steps/s 2023-04-07 15:42:37,796 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 96600 19320 50.2 -36249 5502 -41751 -41751 0.61071 0.95487 0.23531 1.5378e+05 2023-04-07 15:42:39,798 INFO [main.py:643]
{rank 0/100} MD step = 96700 step time: 00:00:00.017976 Performance: 122.406 ns/day 0.196 hours/ns 7.084 steps/s 2023-04-07 15:42:52,846 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 96700 19340 49.922 -36197 5471.5 -41668 -41668 0.6146 0.95468 0.23678 1.5397e+05 2023-04-07 15:42:55,225 INFO [main.py:643]
{rank 0/100} MD step = 96800 step time: 00:00:00.018006 Performance: 122.394 ns/day 0.196 hours/ns 7.083 steps/s 2023-04-07 15:43:16,596 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 96800 19360 49.981 -36286 5477.9 -41764 -41764 0.61541 0.95494 0.23729 1.5411e+05 2023-04-07 15:43:18,491 INFO [main.py:643]
{rank 0/100} MD step = 96900 step time: 00:00:00.018198 Performance: 122.313 ns/day 0.196 hours/ns 7.078 steps/s 2023-04-07 15:43:38,247 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 96900 19380 49.957 -36149 5475.3 -41624 -41624 0.61467 0.95581 0.23798 1.5429e+05 2023-04-07 15:43:40,056 INFO [main.py:643]
{rank 0/100} MD step = 97000 step time: 00:00:00.018208 Performance: 122.246 ns/day 0.196 hours/ns 7.074 steps/s 2023-04-07 15:44:10,162 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 97000 19400 49.161 -36356 5388.1 -41744 -41744 0.61643 0.95514 0.23728 1.5443e+05 2023-04-07 15:44:12,058 INFO [main.py:643]
{rank 0/100} MD step = 97100 step time: 00:00:00.018133 Performance: 122.087 ns/day 0.197 hours/ns 7.065 steps/s 2023-04-07 15:44:27,485 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 97100 19420 50.367 -36105 5520.3 -41626 -41626 0.61729 0.95668 0.23948 1.5459e+05 2023-04-07 15:44:29,435 INFO [main.py:643]
{rank 0/100} MD step = 97200 step time: 00:00:00.020031 Performance: 122.059 ns/day 0.197 hours/ns 7.064 steps/s 2023-04-07 15:44:51,524 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 97200 19440 49.1 -36152 5381.4 -41533 -41533 0.62002 0.95731 0.23911 1.5476e+05 2023-04-07 15:44:57,063 INFO [main.py:643]
{rank 0/100} MD step = 97300 step time: 00:00:00.018046 Performance: 121.939 ns/day 0.197 hours/ns 7.057 steps/s 2023-04-07 15:45:12,779 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 97300 19460 49.327 -36295 5406.3 -41701 -41701 0.62354 0.95649 0.24014 1.5488e+05 2023-04-07 15:45:14,600 INFO [main.py:643]
{rank 0/100} MD step = 97400 step time: 00:00:00.017936 Performance: 121.910 ns/day 0.197 hours/ns 7.055 steps/s 2023-04-07 15:45:23,801 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 97400 19480 49.386 -36337 5412.7 -41750 -41750 0.62125 0.95615 0.24001 1.5504e+05 2023-04-07 15:45:25,734 INFO [main.py:643]
{rank 0/100} MD step = 97500 step time: 00:00:00.018168 Performance: 121.937 ns/day 0.197 hours/ns 7.057 steps/s 2023-04-07 15:45:30,777 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 97500 19500 49.544 -36261 5430 -41691 -41691 0.62514 0.95647 0.24058 1.5521e+05 2023-04-07 15:45:32,720 INFO [main.py:643]
{rank 0/100} MD step = 97600 step time: 00:00:00.017816 Performance: 122.000 ns/day 0.197 hours/ns 7.060 steps/s 2023-04-07 15:45:34,194 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 97600 19520 49.691 -36218 5446.2 -41665 -41665 0.62605 0.95861 0.23959 1.5537e+05 2023-04-07 15:45:36,197 INFO [main.py:643]
{rank 0/100} MD step = 97700 step time: 00:00:00.018116 Performance: 122.094 ns/day 0.197 hours/ns 7.066 steps/s 2023-04-07 15:45:45,403 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 97700 19540 49.819 -36205 5460.2 -41665 -41665 0.62591 0.95943 0.23928 1.5554e+05 2023-04-07 15:45:47,400 INFO [main.py:643]
{rank 0/100} MD step = 97800 step time: 00:00:00.017989 Performance: 122.120 ns/day 0.197 hours/ns 7.067 steps/s 2023-04-07 15:46:12,679 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 97800 19560 50.245 -36087 5506.9 -41594 -41594 0.62514 0.96199 0.24041 1.5572e+05 2023-04-07 15:46:14,761 INFO [main.py:643]
{rank 0/100} MD step = 97900 step time: 00:00:00.017929 Performance: 122.004 ns/day 0.197 hours/ns 7.060 steps/s 2023-04-07 15:46:28,218 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 97900 19580 49.815 -36278 5459.7 -41738 -41738 0.62555 0.96175 0.23925 1.5585e+05 2023-04-07 15:46:30,160 INFO [main.py:643]
{rank 0/100} MD step = 98000 step time: 00:00:00.017933 Performance: 121.993 ns/day 0.197 hours/ns 7.060 steps/s 2023-04-07 15:46:38,809 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 98000 19600 50.018 -36197 5482 -41679 -41679 0.62739 0.96384 0.23998 1.5604e+05 2023-04-07 15:46:40,865 INFO [main.py:643]
{rank 0/100} MD step = 98100 step time: 00:00:00.018025 Performance: 122.023 ns/day 0.197 hours/ns 7.062 steps/s 2023-04-07 15:46:53,602 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 98100 19620 50.549 -36048 5540.3 -41588 -41588 0.62645 0.96698 0.24119 1.562e+05 2023-04-07 15:46:55,470 INFO [main.py:643]
{rank 0/100} MD step = 98200 step time: 00:00:00.018577 Performance: 122.020 ns/day 0.197 hours/ns 7.061 steps/s 2023-04-07 15:47:08,853 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 98200 19640 50.579 -36181 5543.5 -41724 -41724 0.62959 0.96828 0.24182 1.5632e+05 2023-04-07 15:47:10,876 INFO [main.py:643]
{rank 0/100} MD step = 98300 step time: 00:00:00.017873 Performance: 122.009 ns/day 0.197 hours/ns 7.061 steps/s 2023-04-07 15:47:23,487 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 98300 19660 50.206 -36207 5502.6 -41709 -41709 0.63051 0.96773 0.24097 1.5649e+05 2023-04-07 15:47:25,445 INFO [main.py:643]
{rank 0/100} MD step = 98400 step time: 00:00:00.017982 Performance: 122.005 ns/day 0.197 hours/ns 7.060 steps/s 2023-04-07 15:47:43,423 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 98400 19680 50.057 -36187 5486.3 -41673 -41673 0.6312 0.96877 0.24035 1.5669e+05 2023-04-07 15:47:45,323 INFO [main.py:643]
{rank 0/100} MD step = 98500 step time: 00:00:00.018015 Performance: 121.955 ns/day 0.197 hours/ns 7.058 steps/s 2023-04-07 15:48:04,646 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 98500 19700 49.923 -36223 5471.7 -41695 -41695 0.63396 0.97034 0.24058 1.5683e+05 2023-04-07 15:48:06,577 INFO [main.py:643]
{rank 0/100} MD step = 98600 step time: 00:00:00.018315 Performance: 121.893 ns/day 0.197 hours/ns 7.054 steps/s 2023-04-07 15:48:23,675 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 98600 19720 49.967 -36132 5476.5 -41608 -41608 0.63594 0.97297 0.24064 1.5702e+05 2023-04-07 15:48:25,587 INFO [main.py:643]
{rank 0/100} MD step = 98700 step time: 00:00:00.017999 Performance: 121.851 ns/day 0.197 hours/ns 7.052 steps/s 2023-04-07 15:48:34,390 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 98700 19740 50.262 -36175 5508.8 -41684 -41684 0.63577 0.97381 0.23998 1.5714e+05 2023-04-07 15:48:36,307 INFO [main.py:643]
{rank 0/100} MD step = 98800 step time: 00:00:00.018007 Performance: 121.881 ns/day 0.197 hours/ns 7.053 steps/s 2023-04-07 15:48:45,282 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 98800 19760 50.283 -36153 5511 -41664 -41664 0.63785 0.97305 0.24053 1.5734e+05 2023-04-07 15:48:47,245 INFO [main.py:643]
{rank 0/100} MD step = 98900 step time: 00:00:00.017960 Performance: 121.909 ns/day 0.197 hours/ns 7.055 steps/s 2023-04-07 15:49:05,021 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 98900 19780 49.722 -36275 5449.6 -41725 -41725 0.64042 0.97386 0.24043 1.5748e+05 2023-04-07 15:49:06,837 INFO [main.py:643]
{rank 0/100} MD step = 99000 step time: 00:00:00.018129 Performance: 121.862 ns/day 0.197 hours/ns 7.052 steps/s 2023-04-07 15:49:41,541 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 99000 19800 49.701 -36353 5447.3 -41801 -41801 0.64122 0.97354 0.2412 1.5764e+05 2023-04-07 15:49:43,380 INFO [main.py:643]
{rank 0/100} MD step = 99100 step time: 00:00:00.017957 Performance: 121.669 ns/day 0.197 hours/ns 7.041 steps/s 2023-04-07 15:50:00,351 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 99100 19820 49.447 -36220 5419.5 -41639 -41639 0.64404 0.97373 0.24188 1.5784e+05 2023-04-07 15:50:02,216 INFO [main.py:643]
{rank 0/100} MD step = 99200 step time: 00:00:00.018016 Performance: 121.629 ns/day 0.197 hours/ns 7.039 steps/s 2023-04-07 15:50:15,784 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 99200 19840 50.376 -36203 5521.2 -41724 -41724 0.64598 0.97423 0.24259 1.5799e+05 2023-04-07 15:50:17,843 INFO [main.py:643]
{rank 0/100} MD step = 99300 step time: 00:00:00.025020 Performance: 121.617 ns/day 0.197 hours/ns 7.038 steps/s 2023-04-07 15:50:19,021 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 99300 19860 50.041 -36210 5484.6 -41694 -41694 0.64688 0.9744 0.24239 1.5814e+05 2023-04-07 15:50:20,875 INFO [main.py:643]
{rank 0/100} MD step = 99400 step time: 00:00:00.019379 Performance: 121.713 ns/day 0.197 hours/ns 7.044 steps/s 2023-04-07 15:50:32,661 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 99400 19880 50.331 -36211 5516.4 -41727 -41727 0.64964 0.97516 0.24435 1.5829e+05 2023-04-07 15:50:34,529 INFO [main.py:643]
{rank 0/100} MD step = 99500 step time: 00:00:00.018204 Performance: 121.718 ns/day 0.197 hours/ns 7.044 steps/s 2023-04-07 15:50:43,655 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 99500 19900 50.024 -36265 5482.7 -41747 -41747 0.65324 0.97724 0.2453 1.5845e+05 2023-04-07 15:50:45,494 INFO [main.py:643]
{rank 0/100} MD step = 99600 step time: 00:00:00.018039 Performance: 121.745 ns/day 0.197 hours/ns 7.045 steps/s 2023-04-07 15:50:47,188 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 99600 19920 50.41 -36219 5525 -41744 -41744 0.65571 0.97766 0.24615 1.5861e+05 2023-04-07 15:50:49,111 INFO [main.py:643]
{rank 0/100} MD step = 99700 step time: 00:00:00.017985 Performance: 121.836 ns/day 0.197 hours/ns 7.051 steps/s 2023-04-07 15:51:03,868 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 99700 19940 49.692 -36261 5446.3 -41708 -41708 0.65991 0.97946 0.24817 1.5876e+05 2023-04-07 15:51:05,693 INFO [main.py:643]
{rank 0/100} MD step = 99800 step time: 00:00:00.018025 Performance: 121.816 ns/day 0.197 hours/ns 7.050 steps/s 2023-04-07 15:51:28,212 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 99800 19960 49.863 -36337 5465.1 -41802 -41802 0.66118 0.97996 0.24916 1.5892e+05 2023-04-07 15:51:30,064 INFO [main.py:643]
{rank 0/100} MD step = 99900 step time: 00:00:00.018242 Performance: 121.728 ns/day 0.197 hours/ns 7.044 steps/s 2023-04-07 15:51:43,489 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 99900 19980 50.504 -36155 5535.3 -41690 -41690 0.66388 0.98009 0.24765 1.5908e+05 2023-04-07 15:51:45,328 INFO [main.py:643]
{rank 0/100} MD step = 100000 step time: 00:00:00.018135 Performance: 121.719 ns/day 0.197 hours/ns 7.044 steps/s 2023-04-07 15:51:54,435 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 100000 20000 50.009 -36188 5481 -41669 -41669 0.66373 0.98087 0.24717 1.5923e+05 2023-04-07 15:51:56,317 INFO [main.py:643]
{rank 0/100} MD step = 100100 step time: 00:00:00.018186 Performance: 121.747 ns/day 0.197 hours/ns 7.046 steps/s 2023-04-07 15:52:11,912 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 100100 20020 50.28 -36225 5510.8 -41736 -41736 0.66689 0.98365 0.24537 1.594e+05 2023-04-07 15:52:13,867 INFO [main.py:643]
{rank 0/100} MD step = 100200 step time: 00:00:00.018060 Performance: 121.718 ns/day 0.197 hours/ns 7.044 steps/s 2023-04-07 15:52:22,311 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 100200 20040 50.671 -36133 5553.6 -41687 -41687 0.66827 0.98469 0.24573 1.5959e+05 2023-04-07 15:52:24,150 INFO [main.py:643]
{rank 0/100} MD step = 100300 step time: 00:00:00.018015 Performance: 121.751 ns/day 0.197 hours/ns 7.046 steps/s 2023-04-07 15:52:33,349 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 100300 20060 50.203 -36141 5502.3 -41644 -41644 0.67105 0.98568 0.24663 1.5976e+05 2023-04-07 15:52:35,212 INFO [main.py:643]
{rank 0/100} MD step = 100400 step time: 00:00:00.017999 Performance: 121.778 ns/day 0.197 hours/ns 7.047 steps/s 2023-04-07 15:52:56,437 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 100400 20080 50.007 -36119 5480.9 -41599 -41599 0.66878 0.9856 0.24599 1.5991e+05 2023-04-07 15:52:58,360 INFO [main.py:643]
{rank 0/100} MD step = 100500 step time: 00:00:00.018084 Performance: 121.702 ns/day 0.197 hours/ns 7.043 steps/s 2023-04-07 15:53:15,966 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 100500 20100 49.89 -36238 5468.1 -41706 -41706 0.66976 0.98773 0.24606 1.6007e+05 2023-04-07 15:53:17,964 INFO [main.py:643]
{rank 0/100} MD step = 100600 step time: 00:00:00.017871 Performance: 121.656 ns/day 0.197 hours/ns 7.040 steps/s 2023-04-07 15:53:26,514 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 100600 20120 50.135 -36255 5494.9 -41750 -41750 0.6685 0.98884 0.24691 1.6025e+05 2023-04-07 15:53:32,403 INFO [main.py:643]
{rank 0/100} MD step = 100700 step time: 00:00:00.018202 Performance: 121.654 ns/day 0.197 hours/ns 7.040 steps/s 2023-04-07 15:53:41,812 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 100700 20140 50.331 -36106 5516.3 -41622 -41622 0.6695 0.98899 0.24681 1.6041e+05 2023-04-07 15:53:43,835 INFO [main.py:643]
{rank 0/100} MD step = 100800 step time: 00:00:00.018265 Performance: 121.677 ns/day 0.197 hours/ns 7.042 steps/s 2023-04-07 15:53:52,951 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 100800 20160 50.789 -36122 5566.5 -41688 -41688 0.67106 0.98903 0.24836 1.606e+05 2023-04-07 15:53:54,854 INFO [main.py:643]
{rank 0/100} MD step = 100900 step time: 00:00:00.017875 Performance: 121.704 ns/day 0.197 hours/ns 7.043 steps/s 2023-04-07 15:54:03,542 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 100900 20180 49.847 -36221 5463.3 -41684 -41684 0.67464 0.98989 0.24889 1.6073e+05 2023-04-07 15:54:08,945 INFO [main.py:643]
{rank 0/100} MD step = 101000 step time: 00:00:00.017855 Performance: 121.705 ns/day 0.197 hours/ns 7.043 steps/s 2023-04-07 15:54:10,051 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 101000 20200 50.759 -36073 5563.3 -41636 -41636 0.67715 0.99116 0.24899 1.609e+05 2023-04-07 15:54:11,964 INFO [main.py:643]
{rank 0/100} MD step = 101100 step time: 00:00:00.017850 Performance: 121.800 ns/day 0.197 hours/ns 7.049 steps/s 2023-04-07 15:54:39,560 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 101100 20220 50.68 -36186 5554.6 -41741 -41741 0.67878 0.99202 0.24823 1.6104e+05 2023-04-07 15:54:41,438 INFO [main.py:643]
{rank 0/100} MD step = 101200 step time: 00:00:00.017942 Performance: 121.670 ns/day 0.197 hours/ns 7.041 steps/s 2023-04-07 15:55:03,346 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 101200 20240 49.5 -36376 5425.3 -41801 -41801 0.68025 0.99289 0.24845 1.6122e+05 2023-04-07 15:55:05,219 INFO [main.py:643]
{rank 0/100} MD step = 101300 step time: 00:00:00.018076 Performance: 121.590 ns/day 0.197 hours/ns 7.036 steps/s 2023-04-07 15:55:09,963 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 101300 20260 49.535 -36235 5429.1 -41664 -41664 0.67945 0.99452 0.24958 1.614e+05 2023-04-07 15:55:12,267 INFO [main.py:643]
{rank 0/100} MD step = 101400 step time: 00:00:00.018072 Performance: 121.650 ns/day 0.197 hours/ns 7.040 steps/s 2023-04-07 15:55:41,822 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 101400 20280 50.134 -36163 5494.7 -41658 -41658 0.68315 0.99455 0.24988 1.6156e+05 2023-04-07 15:55:43,662 INFO [main.py:643]
{rank 0/100} MD step = 101500 step time: 00:00:00.019026 Performance: 121.505 ns/day 0.198 hours/ns 7.032 steps/s 2023-04-07 15:55:48,266 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 101500 20300 49.674 -36236 5444.3 -41680 -41680 0.68523 0.99655 0.25116 1.6171e+05 2023-04-07 15:55:50,174 INFO [main.py:643]
{rank 0/100} MD step = 101600 step time: 00:00:00.018080 Performance: 121.570 ns/day 0.197 hours/ns 7.035 steps/s 2023-04-07 15:55:59,871 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 101600 20320 49.786 -36229 5456.7 -41686 -41686 0.68751 0.99743 0.25207 1.6187e+05 2023-04-07 15:56:01,842 INFO [main.py:643]
{rank 0/100} MD step = 101700 step time: 00:00:00.018407 Performance: 121.591 ns/day 0.197 hours/ns 7.037 steps/s 2023-04-07 15:56:18,282 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 101700 20340 49.507 -36261 5426 -41687 -41687 0.68922 0.99726 0.25188 1.6204e+05 2023-04-07 15:56:20,327 INFO [main.py:643]
{rank 0/100} MD step = 101800 step time: 00:00:00.018476 Performance: 121.556 ns/day 0.197 hours/ns 7.034 steps/s 2023-04-07 15:56:28,892 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 101800 20360 50.158 -36316 5497.3 -41813 -41813 0.69002 0.99884 0.25292 1.6215e+05 2023-04-07 15:56:30,852 INFO [main.py:643]
{rank 0/100} MD step = 101900 step time: 00:00:00.017869 Performance: 121.586 ns/day 0.197 hours/ns 7.036 steps/s 2023-04-07 15:56:32,069 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 101900 20380 49.896 -36135 5468.6 -41604 -41604 0.69449 0.99859 0.25375 1.6234e+05 2023-04-07 15:56:33,876 INFO [main.py:643]
{rank 0/100} MD step = 102000 step time: 00:00:00.018171 Performance: 121.680 ns/day 0.197 hours/ns 7.042 steps/s 2023-04-07 15:56:38,186 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 102000 20400 49.671 -36231 5444.1 -41675 -41675 0.69544 0.99963 0.25411 1.6248e+05 2023-04-07 15:56:40,086 INFO [main.py:643]
{rank 0/100} MD step = 102100 step time: 00:00:00.017820 Performance: 121.747 ns/day 0.197 hours/ns 7.046 steps/s 2023-04-07 15:56:44,458 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 102100 20420 50.377 -36240 5521.4 -41762 -41762 0.69649 0.9996 0.25531 1.6263e+05 2023-04-07 15:56:46,421 INFO [main.py:643]
{rank 0/100} MD step = 102200 step time: 00:00:00.018027 Performance: 121.813 ns/day 0.197 hours/ns 7.049 steps/s 2023-04-07 15:56:47,599 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 102200 20440 49.962 -36246 5475.9 -41722 -41722 0.69989 1.0004 0.25769 1.6278e+05 2023-04-07 15:56:49,506 INFO [main.py:643]
{rank 0/100} MD step = 102300 step time: 00:00:00.017885 Performance: 121.907 ns/day 0.197 hours/ns 7.055 steps/s 2023-04-07 15:57:01,522 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 102300 20460 50.308 -36150 5513.8 -41663 -41663 0.70219 1.0009 0.26017 1.6299e+05 2023-04-07 15:57:03,435 INFO [main.py:643]
{rank 0/100} MD step = 102400 step time: 00:00:00.017920 Performance: 121.909 ns/day 0.197 hours/ns 7.055 steps/s 2023-04-07 15:57:16,816 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 102400 20480 49.605 -36294 5436.7 -41731 -41731 0.70363 1.0021 0.26124 1.6312e+05 2023-04-07 15:57:18,714 INFO [main.py:643]
{rank 0/100} MD step = 102500 step time: 00:00:00.018033 Performance: 121.900 ns/day 0.197 hours/ns 7.054 steps/s 2023-04-07 15:57:19,988 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 102500 20500 49.847 -36148 5463.3 -41612 -41612 0.70493 1.0019 0.26059 1.6334e+05 2023-04-07 15:57:21,914 INFO [main.py:643]
{rank 0/100} MD step = 102600 step time: 00:00:00.018014 Performance: 121.992 ns/day 0.197 hours/ns 7.060 steps/s 2023-04-07 15:57:27,969 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 102600 20520 49.569 -36297 5432.8 -41730 -41730 0.70468 1.0026 0.2606 1.6347e+05 2023-04-07 15:57:29,850 INFO [main.py:643]
{rank 0/100} MD step = 102700 step time: 00:00:00.017940 Performance: 122.044 ns/day 0.197 hours/ns 7.063 steps/s 2023-04-07 15:58:03,705 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 102700 20540 49.831 -36297 5461.5 -41758 -41758 0.70473 1.0029 0.26015 1.6363e+05 2023-04-07 15:58:05,590 INFO [main.py:643]
{rank 0/100} MD step = 102800 step time: 00:00:00.017996 Performance: 121.863 ns/day 0.197 hours/ns 7.052 steps/s 2023-04-07 15:58:18,953 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 102800 20560 49.947 -36196 5474.2 -41670 -41670 0.70846 1.0031 0.26011 1.6381e+05 2023-04-07 15:58:20,842 INFO [main.py:643]
{rank 0/100} MD step = 102900 step time: 00:00:00.017972 Performance: 121.854 ns/day 0.197 hours/ns 7.052 steps/s 2023-04-07 15:58:21,921 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 102900 20580 49.409 -36294 5415.3 -41709 -41709 0.7101 1.003 0.26051 1.6395e+05 2023-04-07 15:58:26,710 INFO [main.py:643]
{rank 0/100} MD step = 103000 step time: 00:00:00.017889 Performance: 121.924 ns/day 0.197 hours/ns 7.056 steps/s 2023-04-07 15:58:32,317 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 103000 20600 50.724 -36169 5559.4 -41729 -41729 0.71209 1.0027 0.259 1.6412e+05 2023-04-07 15:58:34,182 INFO [main.py:643]
{rank 0/100} MD step = 103100 step time: 00:00:00.018041 Performance: 121.980 ns/day 0.197 hours/ns 7.059 steps/s 2023-04-07 15:58:46,314 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 103100 20620 50.15 -36201 5496.5 -41697 -41697 0.71267 1.0026 0.25961 1.6429e+05 2023-04-07 15:58:48,305 INFO [main.py:643]
{rank 0/100} MD step = 103200 step time: 00:00:00.017888 Performance: 121.980 ns/day 0.197 hours/ns 7.059 steps/s 2023-04-07 15:59:03,674 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 103200 20640 49.19 -36323 5391.3 -41714 -41714 0.71393 1.0031 0.25973 1.6446e+05 2023-04-07 15:59:09,656 INFO [main.py:643]
{rank 0/100} MD step = 103300 step time: 00:00:00.018058 Performance: 121.920 ns/day 0.197 hours/ns 7.056 steps/s 2023-04-07 15:59:13,056 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 103300 20660 49.534 -36241 5429 -41670 -41670 0.71676 1.0024 0.26123 1.6462e+05 2023-04-07 15:59:14,993 INFO [main.py:643]
{rank 0/100} MD step = 103400 step time: 00:00:00.017859 Performance: 121.994 ns/day 0.197 hours/ns 7.060 steps/s 2023-04-07 15:59:33,829 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 103400 20680 49.141 -36298 5385.9 -41684 -41684 0.71652 1.0039 0.26104 1.6479e+05 2023-04-07 15:59:35,748 INFO [main.py:643]
{rank 0/100} MD step = 103500 step time: 00:00:00.018046 Performance: 121.939 ns/day 0.197 hours/ns 7.057 steps/s 2023-04-07 15:59:49,231 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 103500 20700 50.345 -36230 5517.8 -41748 -41748 0.71802 1.0056 0.26261 1.6494e+05 2023-04-07 15:59:51,518 INFO [main.py:643]
{rank 0/100} MD step = 103600 step time: 00:00:00.022149 Performance: 121.925 ns/day 0.197 hours/ns 7.056 steps/s 2023-04-07 16:00:04,058 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 103600 20720 49.626 -36309 5439 -41748 -41748 0.71909 1.0071 0.26497 1.651e+05 2023-04-07 16:00:05,991 INFO [main.py:643]
{rank 0/100} MD step = 103700 step time: 00:00:00.018062 Performance: 121.923 ns/day 0.197 hours/ns 7.056 steps/s 2023-04-07 16:00:11,485 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 103700 20740 49.75 -36313 5452.7 -41766 -41766 0.72008 1.0078 0.26566 1.6525e+05 2023-04-07 16:00:13,410 INFO [main.py:643]
{rank 0/100} MD step = 103800 step time: 00:00:00.017991 Performance: 121.979 ns/day 0.197 hours/ns 7.059 steps/s 2023-04-07 16:00:21,658 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 103800 20760 49.608 -36307 5437.1 -41745 -41745 0.71955 1.0107 0.26668 1.6543e+05 2023-04-07 16:00:23,511 INFO [main.py:643]
{rank 0/100} MD step = 103900 step time: 00:00:00.017973 Performance: 122.013 ns/day 0.197 hours/ns 7.061 steps/s 2023-04-07 16:00:30,015 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 103900 20780 49.747 -36215 5452.4 -41668 -41668 0.72128 1.0108 0.26414 1.6557e+05 2023-04-07 16:00:31,853 INFO [main.py:643]
{rank 0/100} MD step = 104000 step time: 00:00:00.018129 Performance: 122.061 ns/day 0.197 hours/ns 7.064 steps/s 2023-04-07 16:00:44,510 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 104000 20800 50.648 -36170 5551 -41721 -41721 0.72359 1.012 0.26341 1.6571e+05 2023-04-07 16:00:46,463 INFO [main.py:643]
{rank 0/100} MD step = 104100 step time: 00:00:00.017931 Performance: 122.057 ns/day 0.197 hours/ns 7.063 steps/s 2023-04-07 16:00:51,048 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 104100 20820 49.254 -36307 5398.3 -41705 -41705 0.72307 1.0122 0.26425 1.6588e+05 2023-04-07 16:00:52,978 INFO [main.py:643]
{rank 0/100} MD step = 104200 step time: 00:00:00.018190 Performance: 122.120 ns/day 0.197 hours/ns 7.067 steps/s 2023-04-07 16:01:18,895 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 104200 20840 50.18 -36157 5499.8 -41657 -41657 0.72303 1.0151 0.26523 1.6604e+05 2023-04-07 16:01:20,779 INFO [main.py:643]
{rank 0/100} MD step = 104300 step time: 00:00:00.017856 Performance: 122.008 ns/day 0.197 hours/ns 7.061 steps/s 2023-04-07 16:01:22,211 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 104300 20860 50.8 -36116 5567.8 -41684 -41684 0.72324 1.0161 0.26539 1.662e+05 2023-04-07 16:01:28,046 INFO [main.py:643]
{rank 0/100} MD step = 104400 step time: 00:00:00.017940 Performance: 122.065 ns/day 0.197 hours/ns 7.064 steps/s 2023-04-07 16:01:40,849 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 104400 20880 49.805 -36220 5458.7 -41679 -41679 0.72368 1.0182 0.26508 1.6637e+05 2023-04-07 16:01:42,697 INFO [main.py:643]
{rank 0/100} MD step = 104500 step time: 00:00:00.018032 Performance: 122.060 ns/day 0.197 hours/ns 7.064 steps/s 2023-04-07 16:01:47,429 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 104500 20900 49.823 -36242 5460.6 -41702 -41702 0.72626 1.0188 0.26458 1.6653e+05 2023-04-07 16:01:49,334 INFO [main.py:643]
{rank 0/100} MD step = 104600 step time: 00:00:00.017962 Performance: 122.122 ns/day 0.197 hours/ns 7.067 steps/s 2023-04-07 16:01:53,287 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 104600 20920 50.677 -36035 5554.3 -41589 -41589 0.72796 1.0195 0.26398 1.6673e+05 2023-04-07 16:01:55,200 INFO [main.py:643]
{rank 0/100} MD step = 104700 step time: 00:00:00.019852 Performance: 122.191 ns/day 0.196 hours/ns 7.071 steps/s 2023-04-07 16:02:00,074 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 104700 20940 49.939 -36133 5473.4 -41607 -41607 0.72899 1.0198 0.26499 1.6687e+05 2023-04-07 16:02:02,045 INFO [main.py:643]
{rank 0/100} MD step = 104800 step time: 00:00:00.017915 Performance: 122.251 ns/day 0.196 hours/ns 7.075 steps/s 2023-04-07 16:02:11,163 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 104800 20960 50.335 -36192 5516.8 -41709 -41709 0.7297 1.0205 0.26542 1.67e+05 2023-04-07 16:02:13,055 INFO [main.py:643]
{rank 0/100} MD step = 104900 step time: 00:00:00.018173 Performance: 122.277 ns/day 0.196 hours/ns 7.076 steps/s 2023-04-07 16:02:14,174 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 104900 20980 50.061 -36245 5486.8 -41732 -41732 0.73263 1.0213 0.26516 1.6715e+05 2023-04-07 16:02:16,060 INFO [main.py:643]
{rank 0/100} MD step = 105000 step time: 00:00:00.018060 Performance: 122.368 ns/day 0.196 hours/ns 7.082 steps/s 2023-04-07 16:02:19,682 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 105000 21000 50.129 -36298 5494.2 -41792 -41792 0.73479 1.022 0.26639 1.6732e+05 2023-04-07 16:02:21,517 INFO [main.py:643]
{rank 0/100} MD step = 105100 step time: 00:00:00.017776 Performance: 122.440 ns/day 0.196 hours/ns 7.086 steps/s 2023-04-07 16:02:25,681 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 105100 21020 49.855 -36165 5464.2 -41629 -41629 0.73623 1.022 0.26531 1.6749e+05 2023-04-07 16:02:27,577 INFO [main.py:643]
{rank 0/100} MD step = 105200 step time: 00:00:00.017952 Performance: 122.506 ns/day 0.196 hours/ns 7.089 steps/s 2023-04-07 16:02:28,703 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 105200 21040 50.014 -36259 5481.6 -41740 -41740 0.73863 1.0234 0.2655 1.6766e+05 2023-04-07 16:02:30,657 INFO [main.py:643]
{rank 0/100} MD step = 105300 step time: 00:00:00.018080 Performance: 122.597 ns/day 0.196 hours/ns 7.095 steps/s 2023-04-07 16:02:34,236 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 105300 21060 51.01 -36132 5590.8 -41723 -41723 0.73978 1.0241 0.26601 1.6783e+05 2023-04-07 16:02:36,094 INFO [main.py:643]
{rank 0/100} MD step = 105400 step time: 00:00:00.017806 Performance: 122.669 ns/day 0.196 hours/ns 7.099 steps/s 2023-04-07 16:02:37,190 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 105400 21080 49.604 -36244 5436.7 -41681 -41681 0.74035 1.024 0.26535 1.6796e+05 2023-04-07 16:02:39,120 INFO [main.py:643]
{rank 0/100} MD step = 105500 step time: 00:00:00.017963 Performance: 122.760 ns/day 0.196 hours/ns 7.104 steps/s 2023-04-07 16:02:51,167 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 105500 21100 50.063 -36280 5487 -41767 -41767 0.74303 1.0239 0.26518 1.6817e+05 2023-04-07 16:02:53,120 INFO [main.py:643]
{rank 0/100} MD step = 105600 step time: 00:00:00.018007 Performance: 122.761 ns/day 0.196 hours/ns 7.104 steps/s 2023-04-07 16:02:58,981 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 105600 21120 50.531 -36173 5538.3 -41711 -41711 0.74498 1.0245 0.26613 1.6834e+05 2023-04-07 16:03:00,869 INFO [main.py:643]
{rank 0/100} MD step = 105700 step time: 00:00:00.017842 Performance: 122.813 ns/day 0.195 hours/ns 7.107 steps/s 2023-04-07 16:03:08,604 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 105700 21140 49.116 -36285 5383.2 -41668 -41668 0.74648 1.0255 0.26729 1.685e+05 2023-04-07 16:03:10,395 INFO [main.py:643]
{rank 0/100} MD step = 105800 step time: 00:00:00.017846 Performance: 122.851 ns/day 0.195 hours/ns 7.109 steps/s 2023-04-07 16:03:11,695 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 105800 21160 50.236 -36170 5505.9 -41676 -41676 0.74465 1.0245 0.26789 1.6867e+05 2023-04-07 16:03:13,509 INFO [main.py:643]
{rank 0/100} MD step = 105900 step time: 00:00:00.018047 Performance: 122.941 ns/day 0.195 hours/ns 7.115 steps/s 2023-04-07 16:03:17,548 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 105900 21180 49.956 -36151 5475.3 -41627 -41627 0.74471 1.025 0.26752 1.6883e+05 2023-04-07 16:03:19,402 INFO [main.py:643]
{rank 0/100} MD step = 106000 step time: 00:00:00.017982 Performance: 123.008 ns/day 0.195 hours/ns 7.119 steps/s 2023-04-07 16:03:28,272 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 106000 21200 49.675 -36201 5444.5 -41646 -41646 0.74648 1.025 0.26686 1.69e+05 2023-04-07 16:03:30,071 INFO [main.py:643]
{rank 0/100} MD step = 106100 step time: 00:00:00.018008 Performance: 123.036 ns/day 0.195 hours/ns 7.120 steps/s 2023-04-07 16:03:31,211 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 106100 21220 50.086 -36293 5489.5 -41782 -41782 0.74934 1.0253 0.26582 1.6912e+05 2023-04-07 16:03:33,097 INFO [main.py:643]
{rank 0/100} MD step = 106200 step time: 00:00:00.018139 Performance: 123.127 ns/day 0.195 hours/ns 7.125 steps/s 2023-04-07 16:03:58,001 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 106200 21240 50.256 -36190 5508.1 -41698 -41698 0.74919 1.0252 0.26712 1.6927e+05 2023-04-07 16:03:59,868 INFO [main.py:643]
{rank 0/100} MD step = 106300 step time: 00:00:00.018074 Performance: 123.022 ns/day 0.195 hours/ns 7.119 steps/s 2023-04-07 16:04:12,766 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 106300 21260 49.712 -36338 5448.5 -41786 -41786 0.75004 1.026 0.26636 1.6945e+05 2023-04-07 16:04:14,622 INFO [main.py:643]
{rank 0/100} MD step = 106400 step time: 00:00:00.018119 Performance: 123.016 ns/day 0.195 hours/ns 7.119 steps/s 2023-04-07 16:04:22,199 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 106400 21280 49.735 -36135 5451 -41586 -41586 0.75169 1.0265 0.26663 1.6962e+05 2023-04-07 16:04:24,066 INFO [main.py:643]
{rank 0/100} MD step = 106500 step time: 00:00:00.018228 Performance: 123.054 ns/day 0.195 hours/ns 7.121 steps/s 2023-04-07 16:04:28,410 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 106500 21300 51.382 -36138 5631.5 -41769 -41769 0.75261 1.0277 0.26786 1.6977e+05 2023-04-07 16:04:30,229 INFO [main.py:643]
{rank 0/100} MD step = 106600 step time: 00:00:00.018047 Performance: 123.119 ns/day 0.195 hours/ns 7.125 steps/s 2023-04-07 16:04:31,468 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 106600 21320 49.569 -36283 5432.8 -41716 -41716 0.75459 1.0277 0.2699 1.6991e+05 2023-04-07 16:04:33,320 INFO [main.py:643]
{rank 0/100} MD step = 106700 step time: 00:00:00.019474 Performance: 123.209 ns/day 0.195 hours/ns 7.130 steps/s 2023-04-07 16:04:46,001 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 106700 21340 51.088 -36222 5599.3 -41821 -41821 0.75578 1.0285 0.26822 1.7005e+05 2023-04-07 16:04:47,926 INFO [main.py:643]
{rank 0/100} MD step = 106800 step time: 00:00:00.019011 Performance: 123.204 ns/day 0.195 hours/ns 7.130 steps/s 2023-04-07 16:04:52,194 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 106800 21360 50.119 -36123 5493.2 -41616 -41616 0.75717 1.0298 0.26987 1.7025e+05 2023-04-07 16:04:54,020 INFO [main.py:643]
{rank 0/100} MD step = 106900 step time: 00:00:00.018227 Performance: 123.270 ns/day 0.195 hours/ns 7.134 steps/s 2023-04-07 16:04:55,148 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 106900 21380 49.53 -36274 5428.5 -41702 -41702 0.75665 1.0307 0.26847 1.7039e+05 2023-04-07 16:04:57,012 INFO [main.py:643]
{rank 0/100} MD step = 107000 step time: 00:00:00.019953 Performance: 123.360 ns/day 0.195 hours/ns 7.139 steps/s 2023-04-07 16:05:02,233 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 107000 21400 50.284 -36089 5511.2 -41601 -41601 0.76004 1.0316 0.26853 1.7056e+05 2023-04-07 16:05:08,249 INFO [main.py:643]
{rank 0/100} MD step = 107100 step time: 00:00:00.017870 Performance: 123.383 ns/day 0.195 hours/ns 7.140 steps/s 2023-04-07 16:05:21,519 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 107100 21420 50.505 -36096 5535.4 -41631 -41631 0.76225 1.031 0.26946 1.7072e+05 2023-04-07 16:05:23,995 INFO [main.py:643]
{rank 0/100} MD step = 107200 step time: 00:00:00.018142 Performance: 123.369 ns/day 0.195 hours/ns 7.139 steps/s 2023-04-07 16:05:28,754 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 107200 21440 50.018 -36251 5482.1 -41734 -41734 0.76271 1.0322 0.2687 1.7088e+05 2023-04-07 16:05:30,669 INFO [main.py:643]
{rank 0/100} MD step = 107300 step time: 00:00:00.017997 Performance: 123.429 ns/day 0.194 hours/ns 7.143 steps/s 2023-04-07 16:05:39,196 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 107300 21460 49.449 -36232 5419.7 -41651 -41651 0.76586 1.034 0.26842 1.7105e+05 2023-04-07 16:05:41,031 INFO [main.py:643]
{rank 0/100} MD step = 107400 step time: 00:00:00.018070 Performance: 123.459 ns/day 0.194 hours/ns 7.145 steps/s 2023-04-07 16:05:45,958 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 107400 21480 50.036 -36172 5484 -41656 -41656 0.7661 1.0351 0.26834 1.712e+05 2023-04-07 16:05:47,896 INFO [main.py:643]
{rank 0/100} MD step = 107500 step time: 00:00:00.020987 Performance: 123.517 ns/day 0.194 hours/ns 7.148 steps/s 2023-04-07 16:06:00,449 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 107500 21500 50.246 -36265 5507 -41772 -41772 0.76781 1.0353 0.26859 1.7135e+05 2023-04-07 16:06:02,266 INFO [main.py:643]
{rank 0/100} MD step = 107600 step time: 00:00:00.018460 Performance: 123.514 ns/day 0.194 hours/ns 7.148 steps/s 2023-04-07 16:06:15,288 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 107600 21520 49.591 -36294 5435.2 -41729 -41729 0.76981 1.0375 0.26807 1.7154e+05 2023-04-07 16:06:23,478 INFO [main.py:643]
{rank 0/100} MD step = 107700 step time: 00:00:00.017965 Performance: 123.455 ns/day 0.194 hours/ns 7.144 steps/s 2023-04-07 16:06:37,064 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 107700 21540 50.057 -36283 5486.3 -41770 -41770 0.77422 1.0383 0.26853 1.717e+05 2023-04-07 16:06:39,006 INFO [main.py:643]
{rank 0/100} MD step = 107800 step time: 00:00:00.018075 Performance: 123.443 ns/day 0.194 hours/ns 7.144 steps/s 2023-04-07 16:07:08,967 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 107800 21560 50.907 -36089 5579.4 -41668 -41668 0.77488 1.0392 0.26845 1.7188e+05 2023-04-07 16:07:14,956 INFO [main.py:643]
{rank 0/100} MD step = 107900 step time: 00:00:00.018449 Performance: 123.263 ns/day 0.195 hours/ns 7.133 steps/s 2023-04-07 16:07:36,263 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 107900 21580 49.379 -36291 5412 -41703 -41703 0.77569 1.0411 0.26725 1.7203e+05 2023-04-07 16:07:38,133 INFO [main.py:643]
{rank 0/100} MD step = 108000 step time: 00:00:00.018288 Performance: 123.189 ns/day 0.195 hours/ns 7.129 steps/s 2023-04-07 16:07:46,706 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 108000 21600 49.77 -36245 5454.9 -41700 -41700 0.77703 1.0411 0.26862 1.722e+05 2023-04-07 16:07:48,706 INFO [main.py:643]
{rank 0/100} MD step = 108100 step time: 00:00:00.018074 Performance: 123.217 ns/day 0.195 hours/ns 7.131 steps/s 2023-04-07 16:08:06,984 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 108100 21620 49.287 -36392 5401.9 -41794 -41794 0.77772 1.0425 0.26908 1.7236e+05 2023-04-07 16:08:08,818 INFO [main.py:643]
{rank 0/100} MD step = 108200 step time: 00:00:00.017977 Performance: 123.168 ns/day 0.195 hours/ns 7.128 steps/s 2023-04-07 16:08:13,540 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 108200 21640 50.237 -36235 5506.1 -41741 -41741 0.77732 1.0437 0.2703 1.7254e+05 2023-04-07 16:08:15,455 INFO [main.py:643]
{rank 0/100} MD step = 108300 step time: 00:00:00.017983 Performance: 123.227 ns/day 0.195 hours/ns 7.131 steps/s 2023-04-07 16:08:24,473 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 108300 21660 50.928 -36083 5581.8 -41665 -41665 0.77851 1.0435 0.2697 1.7269e+05 2023-04-07 16:08:26,439 INFO [main.py:643]
{rank 0/100} MD step = 108400 step time: 00:00:00.018091 Performance: 123.252 ns/day 0.195 hours/ns 7.133 steps/s 2023-04-07 16:08:31,181 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 108400 21680 50.017 -36210 5481.9 -41692 -41692 0.78006 1.0443 0.26888 1.7288e+05 2023-04-07 16:08:33,081 INFO [main.py:643]
{rank 0/100} MD step = 108500 step time: 00:00:00.018036 Performance: 123.312 ns/day 0.195 hours/ns 7.136 steps/s 2023-04-07 16:08:37,700 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 108500 21700 49.877 -36218 5466.6 -41685 -41685 0.78306 1.045 0.2699 1.7304e+05 2023-04-07 16:08:39,651 INFO [main.py:643]
{rank 0/100} MD step = 108600 step time: 00:00:00.017999 Performance: 123.372 ns/day 0.195 hours/ns 7.140 steps/s 2023-04-07 16:08:47,820 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 108600 21720 49.838 -36294 5462.3 -41756 -41756 0.78387 1.0475 0.26969 1.7321e+05 2023-04-07 16:08:49,764 INFO [main.py:643]
{rank 0/100} MD step = 108700 step time: 00:00:00.018086 Performance: 123.404 ns/day 0.194 hours/ns 7.141 steps/s 2023-04-07 16:08:54,622 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 108700 21740 50.257 -36199 5508.2 -41707 -41707 0.78378 1.0481 0.2696 1.734e+05 2023-04-07 16:08:56,550 INFO [main.py:643]
{rank 0/100} MD step = 108800 step time: 00:00:00.018114 Performance: 123.462 ns/day 0.194 hours/ns 7.145 steps/s 2023-04-07 16:09:09,292 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 108800 21760 50.265 -36154 5509.1 -41663 -41663 0.78483 1.0474 0.26939 1.7358e+05 2023-04-07 16:09:11,208 INFO [main.py:643]
{rank 0/100} MD step = 108900 step time: 00:00:00.018160 Performance: 123.457 ns/day 0.194 hours/ns 7.144 steps/s 2023-04-07 16:09:32,736 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 108900 21780 49.14 -36349 5385.8 -41735 -41735 0.78806 1.0486 0.27108 1.7371e+05 2023-04-07 16:09:34,743 INFO [main.py:643]
{rank 0/100} MD step = 109000 step time: 00:00:00.018110 Performance: 123.380 ns/day 0.195 hours/ns 7.140 steps/s 2023-04-07 16:09:47,908 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 109000 21800 48.956 -36309 5365.7 -41675 -41675 0.7867 1.0506 0.27089 1.7387e+05 2023-04-07 16:09:49,740 INFO [main.py:643]
{rank 0/100} MD step = 109100 step time: 00:00:00.017851 Performance: 123.372 ns/day 0.195 hours/ns 7.140 steps/s 2023-04-07 16:10:11,456 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 109100 21820 49.925 -36281 5471.8 -41753 -41753 0.78858 1.0505 0.27032 1.7401e+05 2023-04-07 16:10:13,676 INFO [main.py:643]
{rank 0/100} MD step = 109200 step time: 00:00:00.017878 Performance: 123.292 ns/day 0.195 hours/ns 7.135 steps/s 2023-04-07 16:10:39,846 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 109200 21840 50.233 -36189 5505.6 -41695 -41695 0.79109 1.052 0.26976 1.7419e+05 2023-04-07 16:10:41,691 INFO [main.py:643]
{rank 0/100} MD step = 109300 step time: 00:00:00.017947 Performance: 123.179 ns/day 0.195 hours/ns 7.128 steps/s 2023-04-07 16:10:54,608 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 109300 21860 49.433 -36220 5417.9 -41637 -41637 0.7909 1.0536 0.27054 1.7432e+05 2023-04-07 16:11:00,410 INFO [main.py:643]
{rank 0/100} MD step = 109400 step time: 00:00:00.018107 Performance: 123.142 ns/day 0.195 hours/ns 7.126 steps/s 2023-04-07 16:11:11,989 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 109400 21880 49.45 -36325 5419.8 -41745 -41745 0.79183 1.0547 0.26965 1.7447e+05 2023-04-07 16:11:13,939 INFO [main.py:643]
{rank 0/100} MD step = 109500 step time: 00:00:00.018090 Performance: 123.146 ns/day 0.195 hours/ns 7.126 steps/s 2023-04-07 16:11:31,059 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 109500 21900 49.46 -36184 5420.9 -41605 -41605 0.79262 1.0545 0.27009 1.7466e+05 2023-04-07 16:11:32,874 INFO [main.py:643]
{rank 0/100} MD step = 109600 step time: 00:00:00.018047 Performance: 123.106 ns/day 0.195 hours/ns 7.124 steps/s 2023-04-07 16:11:54,670 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 109600 21920 50.6 -36124 5545.8 -41670 -41670 0.79568 1.0548 0.27142 1.7479e+05 2023-04-07 16:11:56,483 INFO [main.py:643]
{rank 0/100} MD step = 109700 step time: 00:00:00.018028 Performance: 123.030 ns/day 0.195 hours/ns 7.120 steps/s 2023-04-07 16:12:05,931 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 109700 21940 49.942 -36126 5473.7 -41600 -41600 0.79524 1.0554 0.27175 1.7497e+05 2023-04-07 16:12:07,973 INFO [main.py:643]
{rank 0/100} MD step = 109800 step time: 00:00:00.018009 Performance: 123.050 ns/day 0.195 hours/ns 7.121 steps/s 2023-04-07 16:12:12,675 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 109800 21960 50.165 -36204 5498.2 -41702 -41702 0.79528 1.0563 0.27299 1.7514e+05 2023-04-07 16:12:14,501 INFO [main.py:643]
{rank 0/100} MD step = 109900 step time: 00:00:00.018006 Performance: 123.110 ns/day 0.195 hours/ns 7.124 steps/s 2023-04-07 16:12:22,567 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 109900 21980 50.158 -36121 5497.4 -41618 -41618 0.79846 1.0576 0.27451 1.7532e+05 2023-04-07 16:12:24,455 INFO [main.py:643]
{rank 0/100} MD step = 110000 step time: 00:00:00.017987 Performance: 123.143 ns/day 0.195 hours/ns 7.126 steps/s 2023-04-07 16:12:33,980 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 110000 22000 49.751 -36235 5452.7 -41688 -41688 0.80035 1.0586 0.27354 1.7547e+05 2023-04-07 16:12:35,969 INFO [main.py:643]
{rank 0/100} MD step = 110100 step time: 00:00:00.017854 Performance: 123.163 ns/day 0.195 hours/ns 7.127 steps/s 2023-04-07 16:12:48,307 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 110100 22020 49.918 -36239 5471 -41710 -41710 0.80142 1.0604 0.27314 1.7566e+05 2023-04-07 16:12:50,273 INFO [main.py:643]
{rank 0/100} MD step = 110200 step time: 00:00:00.018324 Performance: 123.161 ns/day 0.195 hours/ns 7.127 steps/s 2023-04-07 16:12:59,223 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 110200 22040 50.09 -36155 5489.9 -41645 -41645 0.80471 1.061 0.27364 1.7583e+05 2023-04-07 16:13:01,053 INFO [main.py:643]
{rank 0/100} MD step = 110300 step time: 00:00:00.018012 Performance: 123.187 ns/day 0.195 hours/ns 7.129 steps/s 2023-04-07 16:13:06,050 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 110300 22060 50.392 -36222 5523 -41745 -41745 0.80614 1.0605 0.27442 1.7596e+05 2023-04-07 16:13:07,904 INFO [main.py:643]
{rank 0/100} MD step = 110400 step time: 00:00:00.020819 Performance: 123.244 ns/day 0.195 hours/ns 7.132 steps/s 2023-04-07 16:13:16,232 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 110400 22080 49.658 -36294 5442.6 -41737 -41737 0.80577 1.0617 0.27466 1.7611e+05 2023-04-07 16:13:18,171 INFO [main.py:643]
{rank 0/100} MD step = 110500 step time: 00:00:00.018069 Performance: 123.274 ns/day 0.195 hours/ns 7.134 steps/s 2023-04-07 16:13:31,086 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 110500 22100 49.679 -36201 5444.8 -41646 -41646 0.80651 1.0617 0.27543 1.7626e+05 2023-04-07 16:13:33,456 INFO [main.py:643]
{rank 0/100} MD step = 110600 step time: 00:00:00.018000 Performance: 123.263 ns/day 0.195 hours/ns 7.133 steps/s 2023-04-07 16:13:55,132 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 110600 22120 50.474 -36207 5532 -41739 -41739 0.80887 1.0628 0.27634 1.7642e+05 2023-04-07 16:13:56,943 INFO [main.py:643]
{rank 0/100} MD step = 110700 step time: 00:00:00.018105 Performance: 123.188 ns/day 0.195 hours/ns 7.129 steps/s 2023-04-07 16:14:09,799 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 110700 22140 49.951 -36109 5474.7 -41583 -41583 0.81142 1.0633 0.27563 1.7661e+05 2023-04-07 16:14:11,733 INFO [main.py:643]
{rank 0/100} MD step = 110800 step time: 00:00:00.018074 Performance: 123.182 ns/day 0.195 hours/ns 7.129 steps/s 2023-04-07 16:14:16,344 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 110800 22160 49.352 -36257 5409 -41666 -41666 0.81445 1.0651 0.27521 1.7676e+05 2023-04-07 16:14:18,223 INFO [main.py:643]
{rank 0/100} MD step = 110900 step time: 00:00:00.017924 Performance: 123.242 ns/day 0.195 hours/ns 7.132 steps/s 2023-04-07 16:14:23,755 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 110900 22180 50.233 -36161 5505.6 -41666 -41666 0.81473 1.0652 0.27499 1.7693e+05 2023-04-07 16:14:25,652 INFO [main.py:643]
{rank 0/100} MD step = 111000 step time: 00:00:00.018080 Performance: 123.294 ns/day 0.195 hours/ns 7.135 steps/s 2023-04-07 16:14:30,211 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 111000 22200 49.613 -36264 5437.6 -41702 -41702 0.81668 1.0655 0.27584 1.7709e+05 2023-04-07 16:14:35,254 INFO [main.py:643]
{rank 0/100} MD step = 111100 step time: 00:00:00.017967 Performance: 123.329 ns/day 0.195 hours/ns 7.137 steps/s 2023-04-07 16:14:46,527 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 111100 22220 49.996 -36357 5479.6 -41836 -41836 0.8175 1.0675 0.27552 1.7721e+05 2023-04-07 16:14:48,342 INFO [main.py:643]
{rank 0/100} MD step = 111200 step time: 00:00:00.017900 Performance: 123.336 ns/day 0.195 hours/ns 7.138 steps/s 2023-04-07 16:15:01,756 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 111200 22240 49.831 -36236 5461.5 -41698 -41698 0.8191 1.0689 0.27638 1.7737e+05 2023-04-07 16:15:03,615 INFO [main.py:643]
{rank 0/100} MD step = 111300 step time: 00:00:00.017935 Performance: 123.326 ns/day 0.195 hours/ns 7.137 steps/s 2023-04-07 16:15:20,943 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 111300 22260 49.498 -36237 5425 -41662 -41662 0.82127 1.0722 0.27758 1.7756e+05 2023-04-07 16:15:22,859 INFO [main.py:643]
{rank 0/100} MD step = 111400 step time: 00:00:00.017937 Performance: 123.285 ns/day 0.195 hours/ns 7.135 steps/s 2023-04-07 16:15:31,837 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 111400 22280 49.297 -36238 5403 -41641 -41641 0.82203 1.0719 0.27967 1.7772e+05 2023-04-07 16:15:33,656 INFO [main.py:643]
{rank 0/100} MD step = 111500 step time: 00:00:00.018024 Performance: 123.311 ns/day 0.195 hours/ns 7.136 steps/s 2023-04-07 16:15:50,784 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 111500 22300 50.143 -36241 5495.8 -41737 -41737 0.82123 1.0747 0.27864 1.7789e+05 2023-04-07 16:15:52,586 INFO [main.py:643]
{rank 0/100} MD step = 111600 step time: 00:00:00.018205 Performance: 123.272 ns/day 0.195 hours/ns 7.134 steps/s 2023-04-07 16:16:29,859 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 111600 22320 49.684 -36275 5445.4 -41720 -41720 0.82233 1.0746 0.2797 1.7805e+05 2023-04-07 16:16:39,787 INFO [main.py:643]
{rank 0/100} MD step = 111700 step time: 00:00:00.017938 Performance: 123.011 ns/day 0.195 hours/ns 7.119 steps/s 2023-04-07 16:16:55,601 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 111700 22340 49.467 -36292 5421.7 -41714 -41714 0.82279 1.0761 0.28123 1.7822e+05 2023-04-07 16:16:57,494 INFO [main.py:643]
{rank 0/100} MD step = 111800 step time: 00:00:00.018576 Performance: 122.982 ns/day 0.195 hours/ns 7.117 steps/s 2023-04-07 16:17:02,073 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 111800 22360 50.305 -36146 5513.5 -41660 -41660 0.82395 1.0763 0.28171 1.7838e+05 2023-04-07 16:17:03,888 INFO [main.py:643]
{rank 0/100} MD step = 111900 step time: 00:00:00.017936 Performance: 123.042 ns/day 0.195 hours/ns 7.121 steps/s 2023-04-07 16:17:21,207 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 111900 22380 50.259 -36151 5508.4 -41659 -41659 0.82681 1.077 0.2815 1.7855e+05 2023-04-07 16:17:23,135 INFO [main.py:643]
{rank 0/100} MD step = 112000 step time: 00:00:00.017986 Performance: 123.002 ns/day 0.195 hours/ns 7.118 steps/s 2023-04-07 16:17:24,615 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 112000 22400 49.612 -36177 5437.6 -41615 -41615 0.83033 1.0783 0.28188 1.7872e+05 2023-04-07 16:17:29,188 INFO [main.py:643]
{rank 0/100} MD step = 112100 step time: 00:00:00.017878 Performance: 123.064 ns/day 0.195 hours/ns 7.122 steps/s 2023-04-07 16:17:38,548 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 112100 22420 49.133 -36241 5385.1 -41626 -41626 0.8292 1.0788 0.28184 1.7889e+05 2023-04-07 16:17:40,449 INFO [main.py:643]
{rank 0/100} MD step = 112200 step time: 00:00:00.018009 Performance: 123.086 ns/day 0.195 hours/ns 7.123 steps/s 2023-04-07 16:17:53,285 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 112200 22440 49.649 -36040 5441.6 -41482 -41482 0.82812 1.0795 0.28261 1.7907e+05 2023-04-07 16:17:55,424 INFO [main.py:643]
{rank 0/100} MD step = 112300 step time: 00:00:00.017895 Performance: 123.079 ns/day 0.195 hours/ns 7.123 steps/s 2023-04-07 16:17:59,829 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 112300 22460 49.922 -36273 5471.5 -41745 -41745 0.82978 1.0799 0.28308 1.792e+05 2023-04-07 16:18:01,747 INFO [main.py:643]
{rank 0/100} MD step = 112400 step time: 00:00:00.036627 Performance: 123.139 ns/day 0.195 hours/ns 7.126 steps/s 2023-04-07 16:18:10,497 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 112400 22480 49.866 -36280 5465.3 -41745 -41745 0.83035 1.0807 0.28332 1.7936e+05 2023-04-07 16:18:12,306 INFO [main.py:643]
{rank 0/100} MD step = 112500 step time: 00:00:00.018088 Performance: 123.166 ns/day 0.195 hours/ns 7.128 steps/s 2023-04-07 16:18:25,561 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 112500 22500 50.05 -36286 5485.6 -41772 -41772 0.83282 1.0804 0.28333 1.7952e+05 2023-04-07 16:18:27,465 INFO [main.py:643]
{rank 0/100} MD step = 112600 step time: 00:00:00.017841 Performance: 123.157 ns/day 0.195 hours/ns 7.127 steps/s 2023-04-07 16:18:32,239 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 112600 22520 50.463 -36097 5530.9 -41628 -41628 0.83389 1.0811 0.28341 1.7968e+05 2023-04-07 16:18:34,113 INFO [main.py:643]
{rank 0/100} MD step = 112700 step time: 00:00:00.017866 Performance: 123.215 ns/day 0.195 hours/ns 7.130 steps/s 2023-04-07 16:18:55,320 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 112700 22540 50.278 -36284 5510.5 -41794 -41794 0.83639 1.0837 0.28284 1.7983e+05 2023-04-07 16:18:57,468 INFO [main.py:643]
{rank 0/100} MD step = 112800 step time: 00:00:00.017943 Performance: 123.142 ns/day 0.195 hours/ns 7.126 steps/s 2023-04-07 16:19:14,898 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 112800 22560 49.96 -36314 5475.6 -41790 -41790 0.83749 1.0844 0.28434 1.8001e+05 2023-04-07 16:19:16,756 INFO [main.py:643]
{rank 0/100} MD step = 112900 step time: 00:00:00.018018 Performance: 123.101 ns/day 0.195 hours/ns 7.124 steps/s 2023-04-07 16:19:42,734 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 112900 22580 50.048 -36180 5485.4 -41665 -41665 0.83917 1.0859 0.28508 1.8018e+05 2023-04-07 16:19:44,613 INFO [main.py:643]
{rank 0/100} MD step = 113000 step time: 00:00:00.017908 Performance: 122.994 ns/day 0.195 hours/ns 7.118 steps/s 2023-04-07 16:20:06,401 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 113000 22600 50.189 -36101 5500.8 -41601 -41601 0.84195 1.0865 0.28651 1.8037e+05 2023-04-07 16:20:12,361 INFO [main.py:643]
{rank 0/100} MD step = 113100 step time: 00:00:00.017932 Performance: 122.888 ns/day 0.195 hours/ns 7.112 steps/s 2023-04-07 16:20:17,193 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 113100 22620 49.923 -36208 5471.7 -41680 -41680 0.84434 1.0851 0.28677 1.8053e+05 2023-04-07 16:20:19,057 INFO [main.py:643]
{rank 0/100} MD step = 113200 step time: 00:00:00.018019 Performance: 122.945 ns/day 0.195 hours/ns 7.115 steps/s 2023-04-07 16:20:31,959 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 113200 22640 49.703 -36249 5447.6 -41696 -41696 0.84776 1.0839 0.28655 1.807e+05 2023-04-07 16:20:33,776 INFO [main.py:643]
{rank 0/100} MD step = 113300 step time: 00:00:00.017920 Performance: 122.940 ns/day 0.195 hours/ns 7.115 steps/s 2023-04-07 16:20:45,799 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 113300 22660 50.375 -36186 5521.2 -41707 -41707 0.85054 1.0854 0.2876 1.8086e+05 2023-04-07 16:20:47,734 INFO [main.py:643]
{rank 0/100} MD step = 113400 step time: 00:00:00.018082 Performance: 122.941 ns/day 0.195 hours/ns 7.115 steps/s 2023-04-07 16:21:04,483 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 113400 22680 50.163 -36157 5498 -41655 -41655 0.85321 1.0858 0.28804 1.8101e+05 2023-04-07 16:21:06,361 INFO [main.py:643]
{rank 0/100} MD step = 113500 step time: 00:00:00.017921 Performance: 122.905 ns/day 0.195 hours/ns 7.113 steps/s 2023-04-07 16:21:38,694 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 113500 22700 49.531 -36230 5428.7 -41659 -41659 0.85559 1.0866 0.29082 1.8119e+05 2023-04-07 16:21:40,810 INFO [main.py:643]
{rank 0/100} MD step = 113600 step time: 00:00:00.018214 Performance: 122.749 ns/day 0.196 hours/ns 7.104 steps/s 2023-04-07 16:22:07,297 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 113600 22720 50.707 -36090 5557.6 -41648 -41648 0.85727 1.0879 0.29143 1.8135e+05 2023-04-07 16:22:09,342 INFO [main.py:643]
{rank 0/100} MD step = 113700 step time: 00:00:00.017933 Performance: 122.638 ns/day 0.196 hours/ns 7.097 steps/s 2023-04-07 16:22:24,463 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 113700 22740 50.492 -36185 5534 -41719 -41719 0.85831 1.0889 0.29157 1.8149e+05 2023-04-07 16:22:26,312 INFO [main.py:643]
{rank 0/100} MD step = 113800 step time: 00:00:00.018094 Performance: 122.616 ns/day 0.196 hours/ns 7.096 steps/s 2023-04-07 16:22:34,715 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 113800 22760 49.451 -36213 5419.9 -41633 -41633 0.85973 1.0881 0.29089 1.8166e+05 2023-04-07 16:22:36,608 INFO [main.py:643]
{rank 0/100} MD step = 113900 step time: 00:00:00.018081 Performance: 122.645 ns/day 0.196 hours/ns 7.098 steps/s 2023-04-07 16:22:37,876 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 113900 22780 50.756 -36044 5562.9 -41607 -41607 0.86068 1.0898 0.29044 1.8181e+05 2023-04-07 16:22:39,719 INFO [main.py:643]
{rank 0/100} MD step = 114000 step time: 00:00:00.018600 Performance: 122.729 ns/day 0.196 hours/ns 7.102 steps/s 2023-04-07 16:22:47,890 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 114000 22800 50.565 -36127 5542 -41669 -41669 0.86273 1.088 0.29061 1.82e+05 2023-04-07 16:22:49,796 INFO [main.py:643]
{rank 0/100} MD step = 114100 step time: 00:00:00.019025 Performance: 122.759 ns/day 0.196 hours/ns 7.104 steps/s 2023-04-07 16:22:58,580 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 114100 22820 50.16 -36166 5497.6 -41663 -41663 0.86404 1.0875 0.29321 1.8216e+05 2023-04-07 16:23:04,092 INFO [main.py:643]
{rank 0/100} MD step = 114200 step time: 00:00:00.018112 Performance: 122.758 ns/day 0.196 hours/ns 7.104 steps/s 2023-04-07 16:23:07,580 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 114200 22840 50.589 -36132 5544.6 -41677 -41677 0.86424 1.0901 0.29445 1.8229e+05 2023-04-07 16:23:09,409 INFO [main.py:643]
{rank 0/100} MD step = 114300 step time: 00:00:00.018009 Performance: 122.825 ns/day 0.195 hours/ns 7.108 steps/s 2023-04-07 16:23:34,725 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 114300 22860 49.927 -36229 5472.1 -41701 -41701 0.86612 1.0912 0.2937 1.8248e+05 2023-04-07 16:23:36,635 INFO [main.py:643]
{rank 0/100} MD step = 114400 step time: 00:00:00.018037 Performance: 122.724 ns/day 0.196 hours/ns 7.102 steps/s 2023-04-07 16:23:41,591 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 114400 22880 50.715 -36130 5558.4 -41688 -41688 0.8695 1.0908 0.29475 1.8265e+05 2023-04-07 16:23:43,407 INFO [main.py:643]
{rank 0/100} MD step = 114500 step time: 00:00:00.017988 Performance: 122.780 ns/day 0.195 hours/ns 7.105 steps/s 2023-04-07 16:23:52,360 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 114500 22900 49.453 -36293 5420.1 -41713 -41713 0.86949 1.0929 0.29581 1.8282e+05 2023-04-07 16:23:54,280 INFO [main.py:643]
{rank 0/100} MD step = 114600 step time: 00:00:00.018012 Performance: 122.804 ns/day 0.195 hours/ns 7.107 steps/s 2023-04-07 16:24:02,514 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 114600 22920 50.196 -36200 5501.5 -41701 -41701 0.87323 1.0939 0.29644 1.8298e+05 2023-04-07 16:24:04,631 INFO [main.py:643]
{rank 0/100} MD step = 114700 step time: 00:00:00.017932 Performance: 122.833 ns/day 0.195 hours/ns 7.108 steps/s 2023-04-07 16:24:09,836 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 114700 22940 50.251 -36192 5507.6 -41700 -41700 0.87368 1.0952 0.29708 1.8314e+05 2023-04-07 16:24:11,666 INFO [main.py:643]
{rank 0/100} MD step = 114800 step time: 00:00:00.017981 Performance: 122.886 ns/day 0.195 hours/ns 7.111 steps/s 2023-04-07 16:24:37,880 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 114800 22960 51.155 -36050 5606.6 -41657 -41657 0.87572 1.097 0.29618 1.8332e+05 2023-04-07 16:24:39,682 INFO [main.py:643]
{rank 0/100} MD step = 114900 step time: 00:00:00.018132 Performance: 122.780 ns/day 0.195 hours/ns 7.105 steps/s 2023-04-07 16:24:56,378 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 114900 22980 50.91 -36118 5579.8 -41697 -41697 0.87592 1.0978 0.2962 1.8351e+05 2023-04-07 16:24:58,233 INFO [main.py:643]
{rank 0/100} MD step = 115000 step time: 00:00:00.018007 Performance: 122.746 ns/day 0.196 hours/ns 7.103 steps/s 2023-04-07 16:25:02,624 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 115000 23000 49.764 -36297 5454.2 -41752 -41752 0.87616 1.0992 0.29618 1.8363e+05 2023-04-07 16:25:04,445 INFO [main.py:643]
{rank 0/100} MD step = 115100 step time: 00:00:00.017911 Performance: 122.806 ns/day 0.195 hours/ns 7.107 steps/s 2023-04-07 16:25:39,435 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 115100 23020 50.319 -36240 5515 -41755 -41755 0.87651 1.0996 0.29651 1.8382e+05 2023-04-07 16:25:41,346 INFO [main.py:643]
{rank 0/100} MD step = 115200 step time: 00:00:00.018000 Performance: 122.633 ns/day 0.196 hours/ns 7.097 steps/s 2023-04-07 16:26:03,012 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 115200 23040 50.179 -36206 5499.7 -41705 -41705 0.87538 1.1002 0.29655 1.8398e+05 2023-04-07 16:26:04,976 INFO [main.py:643]
{rank 0/100} MD step = 115300 step time: 00:00:00.019059 Performance: 122.561 ns/day 0.196 hours/ns 7.093 steps/s 2023-04-07 16:26:05,994 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 115300 23060 49.512 -36222 5426.5 -41649 -41649 0.87839 1.101 0.2977 1.8414e+05 2023-04-07 16:26:10,802 INFO [main.py:643]
{rank 0/100} MD step = 115400 step time: 00:00:00.018016 Performance: 122.623 ns/day 0.196 hours/ns 7.096 steps/s 2023-04-07 16:26:16,279 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 115400 23080 49.677 -36163 5444.7 -41607 -41607 0.88192 1.1022 0.29765 1.8432e+05 2023-04-07 16:26:18,151 INFO [main.py:643]
{rank 0/100} MD step = 115500 step time: 00:00:00.017819 Performance: 122.674 ns/day 0.196 hours/ns 7.099 steps/s 2023-04-07 16:26:27,456 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 115500 23100 50.203 -36290 5502.3 -41792 -41792 0.88407 1.1021 0.29663 1.8445e+05 2023-04-07 16:26:29,297 INFO [main.py:643]
{rank 0/100} MD step = 115600 step time: 00:00:00.018079 Performance: 122.696 ns/day 0.196 hours/ns 7.100 steps/s 2023-04-07 16:26:58,726 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 115600 23120 50.934 -36137 5582.5 -41719 -41719 0.88729 1.1017 0.29533 1.8463e+05 2023-04-07 16:27:00,686 INFO [main.py:643]
{rank 0/100} MD step = 115700 step time: 00:00:00.017951 Performance: 122.566 ns/day 0.196 hours/ns 7.093 steps/s 2023-04-07 16:27:05,357 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 115700 23140 50.11 -36212 5492.1 -41704 -41704 0.88873 1.1031 0.29566 1.8477e+05 2023-04-07 16:27:07,356 INFO [main.py:643]
{rank 0/100} MD step = 115800 step time: 00:00:00.018035 Performance: 122.622 ns/day 0.196 hours/ns 7.096 steps/s 2023-04-07 16:27:15,924 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 115800 23160 50.283 -36111 5511.1 -41622 -41622 0.89201 1.1019 0.29693 1.8496e+05 2023-04-07 16:27:21,806 INFO [main.py:643]
{rank 0/100} MD step = 115900 step time: 00:00:00.018095 Performance: 122.619 ns/day 0.196 hours/ns 7.096 steps/s 2023-04-07 16:27:41,909 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 115900 23180 50.537 -36161 5538.9 -41700 -41700 0.89087 1.1027 0.29693 1.8511e+05 2023-04-07 16:27:43,833 INFO [main.py:643]
{rank 0/100} MD step = 116000 step time: 00:00:00.019427 Performance: 122.560 ns/day 0.196 hours/ns 7.093 steps/s 2023-04-07 16:28:00,833 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 116000 23200 50.384 -36124 5522.1 -41646 -41646 0.8894 1.1035 0.29574 1.8527e+05 2023-04-07 16:28:02,791 INFO [main.py:643]
{rank 0/100} MD step = 116100 step time: 00:00:00.017842 Performance: 122.523 ns/day 0.196 hours/ns 7.090 steps/s 2023-04-07 16:28:24,910 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 116100 23220 49.427 -36238 5417.3 -41656 -41656 0.89243 1.1038 0.29754 1.8545e+05 2023-04-07 16:28:26,760 INFO [main.py:643]
{rank 0/100} MD step = 116200 step time: 00:00:00.018024 Performance: 122.450 ns/day 0.196 hours/ns 7.086 steps/s 2023-04-07 16:28:39,899 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 116200 23240 49.65 -36290 5441.7 -41731 -41731 0.89554 1.1044 0.29768 1.856e+05 2023-04-07 16:28:41,739 INFO [main.py:643]
{rank 0/100} MD step = 116300 step time: 00:00:00.018180 Performance: 122.443 ns/day 0.196 hours/ns 7.086 steps/s 2023-04-07 16:28:46,029 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 116300 23260 49.978 -36207 5477.6 -41684 -41684 0.89554 1.1038 0.29876 1.8574e+05 2023-04-07 16:28:48,074 INFO [main.py:643]
{rank 0/100} MD step = 116400 step time: 00:00:00.018014 Performance: 122.501 ns/day 0.196 hours/ns 7.089 steps/s 2023-04-07 16:29:14,345 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 116400 23280 49.769 -36206 5454.8 -41661 -41661 0.89542 1.1042 0.30047 1.859e+05 2023-04-07 16:29:16,247 INFO [main.py:643]
{rank 0/100} MD step = 116500 step time: 00:00:00.017946 Performance: 122.396 ns/day 0.196 hours/ns 7.083 steps/s 2023-04-07 16:29:25,171 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 116500 23300 49.807 -36142 5458.9 -41601 -41601 0.89714 1.1048 0.2999 1.8608e+05 2023-04-07 16:29:27,109 INFO [main.py:643]
{rank 0/100} MD step = 116600 step time: 00:00:00.018121 Performance: 122.421 ns/day 0.196 hours/ns 7.085 steps/s 2023-04-07 16:29:40,257 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 116600 23320 50.107 -36222 5491.8 -41713 -41713 0.89582 1.1067 0.30005 1.8621e+05 2023-04-07 16:29:42,189 INFO [main.py:643]
{rank 0/100} MD step = 116700 step time: 00:00:00.018087 Performance: 122.414 ns/day 0.196 hours/ns 7.084 steps/s 2023-04-07 16:29:55,088 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 116700 23340 49.397 -36313 5414 -41727 -41727 0.89761 1.1079 0.29948 1.8635e+05 2023-04-07 16:29:56,945 INFO [main.py:643]
{rank 0/100} MD step = 116800 step time: 00:00:00.018091 Performance: 122.409 ns/day 0.196 hours/ns 7.084 steps/s 2023-04-07 16:30:10,262 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 116800 23360 49.349 -36271 5408.7 -41680 -41680 0.89769 1.1095 0.29994 1.8653e+05 2023-04-07 16:30:12,054 INFO [main.py:643]
{rank 0/100} MD step = 116900 step time: 00:00:00.018086 Performance: 122.401 ns/day 0.196 hours/ns 7.083 steps/s 2023-04-07 16:30:23,146 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 116900 23380 49.866 -36296 5465.3 -41762 -41762 0.90066 1.1107 0.29909 1.8666e+05 2023-04-07 16:30:25,287 INFO [main.py:643]
{rank 0/100} MD step = 117000 step time: 00:00:00.018033 Performance: 122.408 ns/day 0.196 hours/ns 7.084 steps/s 2023-04-07 16:30:39,487 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 117000 23400 49.781 -36243 5456 -41700 -41700 0.90504 1.112 0.29943 1.8683e+05 2023-04-07 16:30:43,736 INFO [main.py:643]
{rank 0/100} MD step = 117100 step time: 00:00:00.017840 Performance: 122.376 ns/day 0.196 hours/ns 7.082 steps/s 2023-04-07 16:30:52,051 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 117100 23420 50.571 -36159 5542.6 -41702 -41702 0.90805 1.1128 0.29872 1.8698e+05 2023-04-07 16:30:53,893 INFO [main.py:643]
{rank 0/100} MD step = 117200 step time: 00:00:00.018010 Performance: 122.405 ns/day 0.196 hours/ns 7.084 steps/s 2023-04-07 16:31:05,719 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 117200 23440 49.678 -36211 5444.8 -41656 -41656 0.90919 1.1125 0.29876 1.8716e+05 2023-04-07 16:31:07,776 INFO [main.py:643]
{rank 0/100} MD step = 117300 step time: 00:00:00.017982 Performance: 122.407 ns/day 0.196 hours/ns 7.084 steps/s 2023-04-07 16:31:21,173 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 117300 23460 50.081 -36196 5489 -41685 -41685 0.9119 1.1141 0.2985 1.8734e+05 2023-04-07 16:31:22,986 INFO [main.py:643]
{rank 0/100} MD step = 117400 step time: 00:00:00.020812 Performance: 122.399 ns/day 0.196 hours/ns 7.083 steps/s 2023-04-07 16:31:32,567 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 117400 23480 50.66 -36139 5552.4 -41692 -41692 0.91196 1.116 0.29861 1.875e+05 2023-04-07 16:31:34,471 INFO [main.py:643]
{rank 0/100} MD step = 117500 step time: 00:00:00.017823 Performance: 122.418 ns/day 0.196 hours/ns 7.084 steps/s 2023-04-07 16:31:51,019 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 117500 23500 49.762 -36230 5454 -41684 -41684 0.91376 1.1169 0.29941 1.8765e+05 2023-04-07 16:31:52,843 INFO [main.py:643]
{rank 0/100} MD step = 117600 step time: 00:00:00.017941 Performance: 122.387 ns/day 0.196 hours/ns 7.083 steps/s 2023-04-07 16:32:10,028 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 117600 23520 49.715 -36209 5448.8 -41657 -41657 0.91643 1.1173 0.29922 1.878e+05 2023-04-07 16:32:11,849 INFO [main.py:643]
{rank 0/100} MD step = 117700 step time: 00:00:00.018109 Performance: 122.351 ns/day 0.196 hours/ns 7.080 steps/s 2023-04-07 16:32:27,540 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 117700 23540 50.3 -36136 5513 -41649 -41649 0.91918 1.1184 0.29964 1.8794e+05 2023-04-07 16:32:29,385 INFO [main.py:643]
{rank 0/100} MD step = 117800 step time: 00:00:00.017997 Performance: 122.326 ns/day 0.196 hours/ns 7.079 steps/s 2023-04-07 16:32:34,261 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 117800 23560 50.133 -36164 5494.6 -41659 -41659 0.9206 1.1189 0.30087 1.8811e+05 2023-04-07 16:32:36,127 INFO [main.py:643]
{rank 0/100} MD step = 117900 step time: 00:00:00.018171 Performance: 122.380 ns/day 0.196 hours/ns 7.082 steps/s 2023-04-07 16:32:49,551 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 117900 23580 50.574 -36196 5543 -41738 -41738 0.9211 1.1191 0.3024 1.8825e+05 2023-04-07 16:32:51,362 INFO [main.py:643]
{rank 0/100} MD step = 118000 step time: 00:00:00.018040 Performance: 122.372 ns/day 0.196 hours/ns 7.082 steps/s 2023-04-07 16:33:03,821 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 118000 23600 49.908 -36235 5470 -41705 -41705 0.92359 1.1209 0.30318 1.8841e+05 2023-04-07 16:33:05,726 INFO [main.py:643]
{rank 0/100} MD step = 118100 step time: 00:00:00.018803 Performance: 122.370 ns/day 0.196 hours/ns 7.082 steps/s 2023-04-07 16:33:18,623 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 118100 23620 50.406 -36152 5524.6 -41676 -41676 0.92626 1.1199 0.30484 1.886e+05 2023-04-07 16:33:20,532 INFO [main.py:643]
{rank 0/100} MD step = 118200 step time: 00:00:00.018251 Performance: 122.365 ns/day 0.196 hours/ns 7.081 steps/s 2023-04-07 16:33:44,683 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 118200 23640 49.829 -36285 5461.3 -41746 -41746 0.9292 1.1199 0.30499 1.8874e+05 2023-04-07 16:33:46,541 INFO [main.py:643]
{rank 0/100} MD step = 118300 step time: 00:00:00.017911 Performance: 122.278 ns/day 0.196 hours/ns 7.076 steps/s 2023-04-07 16:33:55,502 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 118300 23660 49.424 -36293 5416.9 -41710 -41710 0.93112 1.1213 0.30607 1.8894e+05 2023-04-07 16:33:57,442 INFO [main.py:643]
{rank 0/100} MD step = 118400 step time: 00:00:00.017884 Performance: 122.302 ns/day 0.196 hours/ns 7.078 steps/s 2023-04-07 16:34:19,119 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 118400 23680 49.996 -36269 5479.6 -41749 -41749 0.93236 1.1222 0.3048 1.8911e+05 2023-04-07 16:34:21,003 INFO [main.py:643]
{rank 0/100} MD step = 118500 step time: 00:00:00.017966 Performance: 122.233 ns/day 0.196 hours/ns 7.074 steps/s 2023-04-07 16:34:38,554 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 118500 23700 49.71 -36223 5448.3 -41671 -41671 0.93606 1.1241 0.30507 1.8926e+05 2023-04-07 16:34:40,475 INFO [main.py:643]
{rank 0/100} MD step = 118600 step time: 00:00:00.018264 Performance: 122.194 ns/day 0.196 hours/ns 7.071 steps/s 2023-04-07 16:34:48,942 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 118600 23720 49.976 -36074 5477.5 -41551 -41551 0.93872 1.1255 0.30501 1.8947e+05 2023-04-07 16:34:51,287 INFO [main.py:643]
{rank 0/100} MD step = 118700 step time: 00:00:00.018050 Performance: 122.218 ns/day 0.196 hours/ns 7.073 steps/s 2023-04-07 16:35:03,868 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 118700 23740 49.139 -36293 5385.6 -41679 -41679 0.93981 1.1258 0.30345 1.896e+05 2023-04-07 16:35:05,780 INFO [main.py:643]
{rank 0/100} MD step = 118800 step time: 00:00:00.018044 Performance: 122.216 ns/day 0.196 hours/ns 7.073 steps/s 2023-04-07 16:35:06,527 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 118800 23760 49.675 -36293 5444.4 -41737 -41737 0.94085 1.1261 0.30382 1.8976e+05 2023-04-07 16:35:09,001 INFO [main.py:643]
{rank 0/100} MD step = 118900 step time: 00:00:00.017982 Performance: 122.295 ns/day 0.196 hours/ns 7.077 steps/s 2023-04-07 16:35:47,087 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 118900 23780 49.566 -36305 5432.5 -41737 -41737 0.94161 1.1257 0.30415 1.8993e+05 2023-04-07 16:35:49,190 INFO [main.py:643]
{rank 0/100} MD step = 119000 step time: 00:00:00.017980 Performance: 122.106 ns/day 0.197 hours/ns 7.066 steps/s 2023-04-07 16:35:58,115 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 119000 23800 49.939 -36259 5473.4 -41732 -41732 0.94241 1.1274 0.30503 1.9009e+05 2023-04-07 16:36:00,114 INFO [main.py:643]
{rank 0/100} MD step = 119100 step time: 00:00:00.018077 Performance: 122.129 ns/day 0.197 hours/ns 7.068 steps/s 2023-04-07 16:36:25,705 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 119100 23820 49.806 -36193 5458.8 -41651 -41651 0.94285 1.1263 0.30432 1.9024e+05 2023-04-07 16:36:31,595 INFO [main.py:643]
{rank 0/100} MD step = 119200 step time: 00:00:00.018129 Performance: 122.004 ns/day 0.197 hours/ns 7.060 steps/s 2023-04-07 16:36:40,688 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 119200 23840 49.353 -36278 5409.1 -41687 -41687 0.94245 1.1261 0.30463 1.9041e+05 2023-04-07 16:36:42,614 INFO [main.py:643]
{rank 0/100} MD step = 119300 step time: 00:00:00.017917 Performance: 122.027 ns/day 0.197 hours/ns 7.062 steps/s 2023-04-07 16:36:47,688 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 119300 23860 49.668 -36223 5443.7 -41667 -41667 0.94301 1.1277 0.30564 1.9056e+05 2023-04-07 16:36:49,633 INFO [main.py:643]
{rank 0/100} MD step = 119400 step time: 00:00:00.017906 Performance: 122.078 ns/day 0.197 hours/ns 7.065 steps/s 2023-04-07 16:37:15,362 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 119400 23880 49.955 -36189 5475.1 -41665 -41665 0.9464 1.1293 0.30716 1.9071e+05 2023-04-07 16:37:17,328 INFO [main.py:643]
{rank 0/100} MD step = 119500 step time: 00:00:00.017979 Performance: 121.980 ns/day 0.197 hours/ns 7.059 steps/s 2023-04-07 16:37:25,802 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 119500 23900 49.461 -36276 5421 -41697 -41697 0.94643 1.1277 0.30602 1.9088e+05 2023-04-07 16:37:27,638 INFO [main.py:643]
{rank 0/100} MD step = 119600 step time: 00:00:00.017910 Performance: 122.008 ns/day 0.197 hours/ns 7.061 steps/s 2023-04-07 16:37:32,436 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 119600 23920 49.777 -36266 5455.6 -41721 -41721 0.94605 1.1279 0.30676 1.9103e+05 2023-04-07 16:37:34,256 INFO [main.py:643]
{rank 0/100} MD step = 119700 step time: 00:00:00.017918 Performance: 122.063 ns/day 0.197 hours/ns 7.064 steps/s 2023-04-07 16:38:00,010 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 119700 23940 50.289 -36155 5511.7 -41666 -41666 0.94779 1.1287 0.3068 1.9118e+05 2023-04-07 16:38:01,927 INFO [main.py:643]
{rank 0/100} MD step = 119800 step time: 00:00:00.017921 Performance: 121.965 ns/day 0.197 hours/ns 7.058 steps/s 2023-04-07 16:38:04,310 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 119800 23960 50.177 -36166 5499.4 -41665 -41665 0.9494 1.1291 0.30447 1.9137e+05 2023-04-07 16:38:06,142 INFO [main.py:643]
{rank 0/100} MD step = 119900 step time: 00:00:00.018068 Performance: 122.037 ns/day 0.197 hours/ns 7.062 steps/s 2023-04-07 16:38:11,723 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 119900 23980 50.003 -36330 5480.4 -41811 -41811 0.94984 1.1306 0.30564 1.9149e+05 2023-04-07 16:38:13,744 INFO [main.py:643]
{rank 0/100} MD step = 120000 step time: 00:00:00.017968 Performance: 122.084 ns/day 0.197 hours/ns 7.065 steps/s 2023-04-07 16:38:18,350 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 120000 24000 50.071 -36149 5487.9 -41637 -41637 0.95171 1.1321 0.30646 1.9167e+05 2023-04-07 16:38:20,182 INFO [main.py:643]
{rank 0/100} MD step = 120100 step time: 00:00:00.019803 Performance: 122.139 ns/day 0.196 hours/ns 7.068 steps/s 2023-04-07 16:38:23,960 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 120100 24020 50.116 -36128 5492.8 -41621 -41621 0.95373 1.1334 0.30753 1.9186e+05 2023-04-07 16:38:26,047 INFO [main.py:643]
{rank 0/100} MD step = 120200 step time: 00:00:00.018119 Performance: 122.199 ns/day 0.196 hours/ns 7.072 steps/s 2023-04-07 16:38:43,407 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 120200 24040 51.253 -36025 5617.4 -41643 -41643 0.95597 1.135 0.30906 1.9201e+05 2023-04-07 16:38:45,294 INFO [main.py:643]
{rank 0/100} MD step = 120300 step time: 00:00:00.017940 Performance: 122.162 ns/day 0.196 hours/ns 7.070 steps/s 2023-04-07 16:38:55,034 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 120300 24060 49.422 -36287 5416.7 -41703 -41703 0.95587 1.1367 0.31059 1.9216e+05 2023-04-07 16:38:56,873 INFO [main.py:643]
{rank 0/100} MD step = 120400 step time: 00:00:00.018069 Performance: 122.181 ns/day 0.196 hours/ns 7.071 steps/s 2023-04-07 16:39:08,116 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 120400 24080 51.086 -36061 5599 -41660 -41660 0.95853 1.1378 0.31109 1.9232e+05 2023-04-07 16:39:11,137 INFO [main.py:643]
{rank 0/100} MD step = 120500 step time: 00:00:00.018273 Performance: 122.180 ns/day 0.196 hours/ns 7.071 steps/s 2023-04-07 16:39:21,762 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 120500 24100 49.844 -36243 5462.9 -41706 -41706 0.95808 1.137 0.31035 1.9247e+05 2023-04-07 16:39:23,678 INFO [main.py:643]
{rank 0/100} MD step = 120600 step time: 00:00:00.019774 Performance: 122.191 ns/day 0.196 hours/ns 7.071 steps/s 2023-04-07 16:39:28,711 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 120600 24120 50.369 -36237 5520.5 -41757 -41757 0.96012 1.1357 0.30866 1.9261e+05 2023-04-07 16:39:30,640 INFO [main.py:643]
{rank 0/100} MD step = 120700 step time: 00:00:00.018034 Performance: 122.243 ns/day 0.196 hours/ns 7.074 steps/s 2023-04-07 16:39:31,870 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 120700 24140 49.27 -36409 5400.1 -41809 -41809 0.96213 1.1364 0.30936 1.9276e+05 2023-04-07 16:39:33,707 INFO [main.py:643]
{rank 0/100} MD step = 120800 step time: 00:00:00.017951 Performance: 122.322 ns/day 0.196 hours/ns 7.079 steps/s 2023-04-07 16:39:37,424 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 120800 24160 50.842 -36188 5572.3 -41760 -41760 0.96426 1.1364 0.31078 1.9294e+05 2023-04-07 16:39:39,285 INFO [main.py:643]
{rank 0/100} MD step = 120900 step time: 00:00:00.017948 Performance: 122.383 ns/day 0.196 hours/ns 7.082 steps/s 2023-04-07 16:39:47,488 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 120900 24180 50.236 -36100 5505.9 -41606 -41606 0.96412 1.1358 0.31154 1.9312e+05 2023-04-07 16:39:49,431 INFO [main.py:643]
{rank 0/100} MD step = 121000 step time: 00:00:00.018088 Performance: 122.412 ns/day 0.196 hours/ns 7.084 steps/s 2023-04-07 16:39:50,611 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 121000 24200 49.504 -36213 5425.7 -41639 -41639 0.96589 1.1378 0.31236 1.9326e+05 2023-04-07 16:39:52,504 INFO [main.py:643]
{rank 0/100} MD step = 121100 step time: 00:00:00.017965 Performance: 122.491 ns/day 0.196 hours/ns 7.089 steps/s 2023-04-07 16:39:56,783 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 121100 24220 49.544 -36229 5430.1 -41659 -41659 0.97033 1.1371 0.31283 1.9343e+05 2023-04-07 16:39:58,630 INFO [main.py:643]
{rank 0/100} MD step = 121200 step time: 00:00:00.017898 Performance: 122.548 ns/day 0.196 hours/ns 7.092 steps/s 2023-04-07 16:39:59,775 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 121200 24240 50.187 -36205 5500.6 -41705 -41705 0.97205 1.1386 0.31472 1.9359e+05 2023-04-07 16:40:08,484 INFO [main.py:643]
{rank 0/100} MD step = 121300 step time: 00:00:00.017962 Performance: 122.578 ns/day 0.196 hours/ns 7.094 steps/s 2023-04-07 16:40:13,286 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 121300 24260 49.854 -36238 5464.1 -41702 -41702 0.97634 1.1404 0.31465 1.9374e+05 2023-04-07 16:40:15,326 INFO [main.py:643]
{rank 0/100} MD step = 121400 step time: 00:00:00.018043 Performance: 122.630 ns/day 0.196 hours/ns 7.097 steps/s 2023-04-07 16:40:16,413 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 121400 24280 50.583 -36117 5544 -41661 -41661 0.979 1.1388 0.31533 1.9389e+05 2023-04-07 16:40:18,418 INFO [main.py:643]
{rank 0/100} MD step = 121500 step time: 00:00:00.018402 Performance: 122.709 ns/day 0.196 hours/ns 7.101 steps/s 2023-04-07 16:40:43,808 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 121500 24300 49.724 -36182 5449.8 -41632 -41632 0.98531 1.1398 0.31598 1.9406e+05 2023-04-07 16:40:45,619 INFO [main.py:643]
{rank 0/100} MD step = 121600 step time: 00:00:00.017897 Performance: 122.615 ns/day 0.196 hours/ns 7.096 steps/s 2023-04-07 16:40:50,070 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 121600 24320 49.715 -36285 5448.8 -41734 -41734 0.98653 1.1413 0.31644 1.9421e+05 2023-04-07 16:40:51,895 INFO [main.py:643]
{rank 0/100} MD step = 121700 step time: 00:00:00.018082 Performance: 122.671 ns/day 0.196 hours/ns 7.099 steps/s 2023-04-07 16:41:13,436 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 121700 24340 51.635 -36122 5659.3 -41781 -41781 0.98701 1.1435 0.31636 1.9438e+05 2023-04-07 16:41:15,519 INFO [main.py:643]
{rank 0/100} MD step = 121800 step time: 00:00:00.017982 Performance: 122.603 ns/day 0.196 hours/ns 7.095 steps/s 2023-04-07 16:41:28,571 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 121800 24360 49.404 -36223 5414.8 -41637 -41637 0.99289 1.1433 0.3159 1.9453e+05 2023-04-07 16:41:34,448 INFO [main.py:643]
{rank 0/100} MD step = 121900 step time: 00:00:00.017997 Performance: 122.569 ns/day 0.196 hours/ns 7.093 steps/s 2023-04-07 16:41:47,602 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 121900 24380 50.218 -36176 5504 -41679 -41679 0.99697 1.1437 0.31521 1.9465e+05 2023-04-07 16:41:49,515 INFO [main.py:643]
{rank 0/100} MD step = 122000 step time: 00:00:00.018143 Performance: 122.562 ns/day 0.196 hours/ns 7.093 steps/s 2023-04-07 16:41:55,135 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 122000 24400 50.067 -36238 5487.4 -41726 -41726 0.99635 1.1448 0.31567 1.948e+05 2023-04-07 16:41:56,930 INFO [main.py:643]
{rank 0/100} MD step = 122100 step time: 00:00:00.018115 Performance: 122.609 ns/day 0.196 hours/ns 7.095 steps/s 2023-04-07 16:42:04,954 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 122100 24420 50.213 -36103 5503.4 -41606 -41606 0.99739 1.1443 0.3163 1.9499e+05 2023-04-07 16:42:06,886 INFO [main.py:643]
{rank 0/100} MD step = 122200 step time: 00:00:00.018225 Performance: 122.639 ns/day 0.196 hours/ns 7.097 steps/s 2023-04-07 16:42:15,641 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 122200 24440 49.526 -36236 5428.1 -41664 -41664 0.99918 1.1462 0.31785 1.9515e+05 2023-04-07 16:42:17,555 INFO [main.py:643]
{rank 0/100} MD step = 122300 step time: 00:00:00.018301 Performance: 122.663 ns/day 0.196 hours/ns 7.099 steps/s 2023-04-07 16:42:22,537 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 122300 24460 49.742 -36177 5451.8 -41629 -41629 1.0031 1.1461 0.31797 1.9532e+05 2023-04-07 16:42:24,375 INFO [main.py:643]
{rank 0/100} MD step = 122400 step time: 00:00:00.017962 Performance: 122.715 ns/day 0.196 hours/ns 7.102 steps/s 2023-04-07 16:42:33,003 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 122400 24480 50.162 -36242 5497.8 -41739 -41739 1.0059 1.1469 0.31779 1.9547e+05 2023-04-07 16:42:34,839 INFO [main.py:643]
{rank 0/100} MD step = 122500 step time: 00:00:00.017949 Performance: 122.741 ns/day 0.196 hours/ns 7.103 steps/s 2023-04-07 16:42:44,345 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 122500 24500 50.439 -36136 5528.1 -41664 -41664 1.0069 1.1468 0.31694 1.9562e+05 2023-04-07 16:42:46,180 INFO [main.py:643]
{rank 0/100} MD step = 122600 step time: 00:00:00.018007 Performance: 122.760 ns/day 0.196 hours/ns 7.104 steps/s 2023-04-07 16:42:54,776 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 122600 24520 50.143 -36180 5495.7 -41676 -41676 1.0068 1.1469 0.318 1.9577e+05 2023-04-07 16:42:56,660 INFO [main.py:643]
{rank 0/100} MD step = 122700 step time: 00:00:00.018000 Performance: 122.786 ns/day 0.195 hours/ns 7.106 steps/s 2023-04-07 16:43:00,880 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 122700 24540 50.277 -36176 5510.5 -41686 -41686 1.0076 1.1479 0.31853 1.9593e+05 2023-04-07 16:43:02,748 INFO [main.py:643]
{rank 0/100} MD step = 122800 step time: 00:00:00.018089 Performance: 122.842 ns/day 0.195 hours/ns 7.109 steps/s 2023-04-07 16:43:15,834 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 122800 24560 50.114 -36232 5492.6 -41725 -41725 1.0086 1.1487 0.31872 1.9609e+05 2023-04-07 16:43:17,738 INFO [main.py:643]
{rank 0/100} MD step = 122900 step time: 00:00:00.018105 Performance: 122.836 ns/day 0.195 hours/ns 7.109 steps/s 2023-04-07 16:43:28,680 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 122900 24580 49.554 -36324 5431.2 -41755 -41755 1.0089 1.149 0.3195 1.9623e+05 2023-04-07 16:43:30,527 INFO [main.py:643]
{rank 0/100} MD step = 123000 step time: 00:00:00.018104 Performance: 122.845 ns/day 0.195 hours/ns 7.109 steps/s 2023-04-07 16:43:31,652 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 123000 24600 50.546 -36177 5539.9 -41717 -41717 1.0095 1.1498 0.31991 1.9641e+05 2023-04-07 16:43:33,594 INFO [main.py:643]
{rank 0/100} MD step = 123100 step time: 00:00:00.018201 Performance: 122.923 ns/day 0.195 hours/ns 7.114 steps/s 2023-04-07 16:43:41,675 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 123100 24620 49.423 -36208 5416.8 -41625 -41625 1.0103 1.1504 0.32135 1.9661e+05 2023-04-07 16:43:43,600 INFO [main.py:643]
{rank 0/100} MD step = 123200 step time: 00:00:00.017829 Performance: 122.952 ns/day 0.195 hours/ns 7.115 steps/s 2023-04-07 16:43:47,949 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 123200 24640 50.686 -36130 5555.2 -41685 -41685 1.0111 1.1503 0.32259 1.9676e+05 2023-04-07 16:43:49,900 INFO [main.py:643]
{rank 0/100} MD step = 123300 step time: 00:00:00.017907 Performance: 123.007 ns/day 0.195 hours/ns 7.118 steps/s 2023-04-07 16:43:51,106 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 123300 24660 49.674 -36192 5444.4 -41636 -41636 1.0129 1.1484 0.32324 1.9695e+05 2023-04-07 16:43:53,045 INFO [main.py:643]
{rank 0/100} MD step = 123400 step time: 00:00:00.018167 Performance: 123.084 ns/day 0.195 hours/ns 7.123 steps/s 2023-04-07 16:44:22,393 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 123400 24680 49.565 -36247 5432.4 -41680 -41680 1.0127 1.1468 0.32369 1.9707e+05 2023-04-07 16:44:24,412 INFO [main.py:643]
{rank 0/100} MD step = 123500 step time: 00:00:00.017995 Performance: 122.961 ns/day 0.195 hours/ns 7.116 steps/s 2023-04-07 16:44:29,000 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 123500 24700 49.685 -36232 5445.6 -41678 -41678 1.0134 1.1488 0.32343 1.9724e+05 2023-04-07 16:44:30,816 INFO [main.py:643]
{rank 0/100} MD step = 123600 step time: 00:00:00.034425 Performance: 123.016 ns/day 0.195 hours/ns 7.119 steps/s 2023-04-07 16:44:39,702 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 123600 24720 49.63 -36236 5439.5 -41675 -41675 1.015 1.1476 0.32331 1.9742e+05 2023-04-07 16:44:41,562 INFO [main.py:643]
{rank 0/100} MD step = 123700 step time: 00:00:00.018073 Performance: 123.039 ns/day 0.195 hours/ns 7.120 steps/s 2023-04-07 16:44:50,456 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 123700 24740 50.166 -36111 5498.2 -41609 -41609 1.0157 1.149 0.32369 1.9756e+05 2023-04-07 16:44:52,371 INFO [main.py:643]
{rank 0/100} MD step = 123800 step time: 00:00:00.018016 Performance: 123.062 ns/day 0.195 hours/ns 7.122 steps/s 2023-04-07 16:45:11,588 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 123800 24760 49.973 -36201 5477.1 -41678 -41678 1.0154 1.1496 0.3223 1.977e+05 2023-04-07 16:45:13,465 INFO [main.py:643]
{rank 0/100} MD step = 123900 step time: 00:00:00.017950 Performance: 123.012 ns/day 0.195 hours/ns 7.119 steps/s 2023-04-07 16:45:16,940 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 123900 24780 50.389 -36050 5522.7 -41572 -41572 1.0179 1.1506 0.32286 1.9789e+05 2023-04-07 16:45:18,824 INFO [main.py:643]
{rank 0/100} MD step = 124000 step time: 00:00:00.018139 Performance: 123.073 ns/day 0.195 hours/ns 7.122 steps/s 2023-04-07 16:45:22,672 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 124000 24800 49.476 -36235 5422.6 -41657 -41657 1.0179 1.151 0.32391 1.9802e+05 2023-04-07 16:45:24,607 INFO [main.py:643]
{rank 0/100} MD step = 124100 step time: 00:00:00.018020 Performance: 123.132 ns/day 0.195 hours/ns 7.126 steps/s 2023-04-07 16:45:31,330 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 124100 24820 49.96 -36247 5475.7 -41722 -41722 1.0169 1.1508 0.32395 1.9816e+05 2023-04-07 16:45:33,313 INFO [main.py:643]
{rank 0/100} MD step = 124200 step time: 00:00:00.017924 Performance: 123.169 ns/day 0.195 hours/ns 7.128 steps/s 2023-04-07 16:45:42,851 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 124200 24840 50.627 -36067 5548.8 -41615 -41615 1.0184 1.1505 0.32501 1.9834e+05 2023-04-07 16:45:44,729 INFO [main.py:643]
{rank 0/100} MD step = 124300 step time: 00:00:00.018020 Performance: 123.188 ns/day 0.195 hours/ns 7.129 steps/s 2023-04-07 16:45:45,969 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 124300 24860 50.741 -36173 5561.3 -41734 -41734 1.0195 1.1511 0.32502 1.9848e+05 2023-04-07 16:45:47,843 INFO [main.py:643]
{rank 0/100} MD step = 124400 step time: 00:00:00.024222 Performance: 123.265 ns/day 0.195 hours/ns 7.133 steps/s 2023-04-07 16:46:09,614 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 124400 24880 49.412 -36312 5415.6 -41727 -41727 1.0203 1.1519 0.32689 1.9865e+05 2023-04-07 16:46:11,588 INFO [main.py:643]
{rank 0/100} MD step = 124500 step time: 00:00:00.017923 Performance: 123.196 ns/day 0.195 hours/ns 7.129 steps/s 2023-04-07 16:46:37,755 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 124500 24900 49.887 -36205 5467.7 -41672 -41672 1.021 1.1516 0.32646 1.9883e+05 2023-04-07 16:46:43,680 INFO [main.py:643]
{rank 0/100} MD step = 124600 step time: 00:00:00.018039 Performance: 123.069 ns/day 0.195 hours/ns 7.122 steps/s 2023-04-07 16:46:44,990 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 124600 24920 50.527 -36201 5537.8 -41739 -41739 1.0206 1.1515 0.3287 1.9898e+05 2023-04-07 16:46:46,846 INFO [main.py:643]
{rank 0/100} MD step = 124700 step time: 00:00:00.018089 Performance: 123.145 ns/day 0.195 hours/ns 7.126 steps/s 2023-04-07 16:47:07,921 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 124700 24940 49.872 -36231 5466.1 -41697 -41697 1.0235 1.154 0.33009 1.9913e+05 2023-04-07 16:47:09,896 INFO [main.py:643]
{rank 0/100} MD step = 124800 step time: 00:00:00.018065 Performance: 123.082 ns/day 0.195 hours/ns 7.123 steps/s 2023-04-07 16:47:18,363 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 124800 24960 50.444 -36215 5528.8 -41744 -41744 1.0252 1.1532 0.33124 1.993e+05 2023-04-07 16:47:20,336 INFO [main.py:643]
{rank 0/100} MD step = 124900 step time: 00:00:00.017958 Performance: 123.107 ns/day 0.195 hours/ns 7.124 steps/s 2023-04-07 16:47:32,766 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 124900 24980 49.695 -36368 5446.6 -41815 -41815 1.0281 1.1543 0.33218 1.9945e+05 2023-04-07 16:47:35,518 INFO [main.py:643]
{rank 0/100} MD step = 125000 step time: 00:00:00.017926 Performance: 123.099 ns/day 0.195 hours/ns 7.124 steps/s 2023-04-07 16:47:53,119 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 125000 25000 50.197 -36241 5501.7 -41743 -41743 1.0294 1.1544 0.33365 1.9961e+05 2023-04-07 16:47:58,847 INFO [main.py:643]
{rank 0/100} MD step = 125100 step time: 00:00:00.018022 Performance: 123.034 ns/day 0.195 hours/ns 7.120 steps/s 2023-04-07 16:48:16,922 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 125100 25020 49.812 -36216 5459.5 -41676 -41676 1.0321 1.1542 0.3331 1.9978e+05 2023-04-07 16:48:22,388 INFO [main.py:643]
{rank 0/100} MD step = 125200 step time: 00:00:00.017973 Performance: 122.968 ns/day 0.195 hours/ns 7.116 steps/s 2023-04-07 16:48:31,619 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 125200 25040 49.934 -36171 5472.8 -41644 -41644 1.0344 1.1544 0.33281 1.9994e+05 2023-04-07 16:48:33,506 INFO [main.py:643]
{rank 0/100} MD step = 125300 step time: 00:00:00.018020 Performance: 122.988 ns/day 0.195 hours/ns 7.117 steps/s 2023-04-07 16:48:42,629 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 125300 25060 50.703 -36119 5557.1 -41676 -41676 1.0347 1.1554 0.33489 2.0011e+05 2023-04-07 16:48:44,623 INFO [main.py:643]
{rank 0/100} MD step = 125400 step time: 00:00:00.017989 Performance: 123.009 ns/day 0.195 hours/ns 7.119 steps/s 2023-04-07 16:49:05,905 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 125400 25080 49.819 -36245 5460.3 -41706 -41706 1.0367 1.1565 0.3361 2.0025e+05 2023-04-07 16:49:07,796 INFO [main.py:643]
{rank 0/100} MD step = 125500 step time: 00:00:00.018050 Performance: 122.945 ns/day 0.195 hours/ns 7.115 steps/s 2023-04-07 16:49:16,700 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 125500 25100 50.303 -36042 5513.3 -41555 -41555 1.0402 1.1549 0.3382 2.0045e+05 2023-04-07 16:49:18,687 INFO [main.py:643]
{rank 0/100} MD step = 125600 step time: 00:00:00.018037 Performance: 122.967 ns/day 0.195 hours/ns 7.116 steps/s 2023-04-07 16:49:23,882 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 125600 25120 50.355 -36094 5519 -41613 -41613 1.0401 1.1562 0.33825 2.0058e+05 2023-04-07 16:49:25,764 INFO [main.py:643]
{rank 0/100} MD step = 125700 step time: 00:00:00.018010 Performance: 123.016 ns/day 0.195 hours/ns 7.119 steps/s 2023-04-07 16:49:29,795 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 125700 25140 50.32 -36153 5515.2 -41669 -41669 1.0394 1.1572 0.33934 2.0072e+05 2023-04-07 16:49:31,689 INFO [main.py:643]
{rank 0/100} MD step = 125800 step time: 00:00:00.018099 Performance: 123.072 ns/day 0.195 hours/ns 7.122 steps/s 2023-04-07 16:49:36,499 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 125800 25160 50.146 -36176 5496.1 -41672 -41672 1.0412 1.1586 0.3391 2.0089e+05 2023-04-07 16:49:38,399 INFO [main.py:643]
{rank 0/100} MD step = 125900 step time: 00:00:00.018044 Performance: 123.123 ns/day 0.195 hours/ns 7.125 steps/s 2023-04-07 16:49:47,442 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 125900 25180 50.313 -36176 5514.4 -41690 -41690 1.041 1.1602 0.33846 2.0105e+05 2023-04-07 16:49:49,243 INFO [main.py:643]
{rank 0/100} MD step = 126000 step time: 00:00:00.018094 Performance: 123.146 ns/day 0.195 hours/ns 7.126 steps/s 2023-04-07 16:49:57,559 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 126000 25200 50.325 -36167 5515.7 -41683 -41683 1.0427 1.1604 0.33837 2.012e+05 2023-04-07 16:49:59,892 INFO [main.py:643]
{rank 0/100} MD step = 126100 step time: 00:00:00.018014 Performance: 123.169 ns/day 0.195 hours/ns 7.128 steps/s 2023-04-07 16:50:12,508 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 126100 25220 49.929 -36163 5472.2 -41636 -41636 1.0462 1.161 0.33947 2.0138e+05 2023-04-07 16:50:14,361 INFO [main.py:643]
{rank 0/100} MD step = 126200 step time: 00:00:00.018064 Performance: 123.166 ns/day 0.195 hours/ns 7.128 steps/s 2023-04-07 16:50:15,504 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 126200 25240 49.445 -36257 5419.3 -41676 -41676 1.0448 1.1615 0.33863 2.0156e+05 2023-04-07 16:50:17,386 INFO [main.py:643]
{rank 0/100} MD step = 126300 step time: 00:00:00.017984 Performance: 123.243 ns/day 0.195 hours/ns 7.132 steps/s 2023-04-07 16:50:34,160 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 126300 25260 50.74 -36208 5561.2 -41769 -41769 1.0473 1.1625 0.338 2.0169e+05 2023-04-07 16:50:36,155 INFO [main.py:643]
{rank 0/100} MD step = 126400 step time: 00:00:00.018139 Performance: 123.210 ns/day 0.195 hours/ns 7.130 steps/s 2023-04-07 16:50:37,601 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 126400 25280 49.49 -36305 5424.1 -41729 -41729 1.0488 1.1636 0.33801 2.0188e+05 2023-04-07 16:50:39,522 INFO [main.py:643]
{rank 0/100} MD step = 126500 step time: 00:00:00.017996 Performance: 123.284 ns/day 0.195 hours/ns 7.134 steps/s 2023-04-07 16:50:46,838 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 126500 25300 50.418 -36089 5525.9 -41615 -41615 1.0483 1.1647 0.33839 2.0206e+05 2023-04-07 16:50:48,712 INFO [main.py:643]
{rank 0/100} MD step = 126600 step time: 00:00:00.017955 Performance: 123.317 ns/day 0.195 hours/ns 7.136 steps/s 2023-04-07 16:51:10,541 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 126600 25320 50.58 -36215 5543.6 -41759 -41759 1.0474 1.1656 0.33752 2.0218e+05 2023-04-07 16:51:12,674 INFO [main.py:643]
{rank 0/100} MD step = 126700 step time: 00:00:00.017903 Performance: 123.248 ns/day 0.195 hours/ns 7.132 steps/s 2023-04-07 16:51:21,515 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 126700 25340 49.91 -36242 5470.2 -41712 -41712 1.0478 1.1671 0.3375 2.0234e+05 2023-04-07 16:51:23,452 INFO [main.py:643]
{rank 0/100} MD step = 126800 step time: 00:00:00.017961 Performance: 123.271 ns/day 0.195 hours/ns 7.134 steps/s 2023-04-07 16:51:41,077 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 126800 25360 49.887 -36129 5467.7 -41597 -41597 1.0498 1.1674 0.33901 2.0251e+05 2023-04-07 16:51:43,087 INFO [main.py:643]
{rank 0/100} MD step = 126900 step time: 00:00:00.018029 Performance: 123.232 ns/day 0.195 hours/ns 7.131 steps/s 2023-04-07 16:51:46,993 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 126900 25380 50.43 -36152 5527.1 -41679 -41679 1.0518 1.1663 0.33887 2.0265e+05 2023-04-07 16:51:48,848 INFO [main.py:643]
{rank 0/100} MD step = 127000 step time: 00:00:00.018063 Performance: 123.289 ns/day 0.195 hours/ns 7.135 steps/s 2023-04-07 16:52:03,443 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 127000 25400 49.909 -36189 5470.1 -41659 -41659 1.0545 1.1675 0.34065 2.0284e+05 2023-04-07 16:52:05,350 INFO [main.py:643]
{rank 0/100} MD step = 127100 step time: 00:00:00.017895 Performance: 123.272 ns/day 0.195 hours/ns 7.134 steps/s 2023-04-07 16:52:09,177 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 127100 25420 49.863 -36185 5465 -41650 -41650 1.0569 1.1691 0.34118 2.0299e+05 2023-04-07 16:52:11,163 INFO [main.py:643]
{rank 0/100} MD step = 127200 step time: 00:00:00.018080 Performance: 123.328 ns/day 0.195 hours/ns 7.137 steps/s 2023-04-07 16:52:19,734 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 127200 25440 49.833 -36288 5461.8 -41749 -41749 1.0587 1.1706 0.33969 2.0313e+05 2023-04-07 16:52:21,633 INFO [main.py:643]
{rank 0/100} MD step = 127300 step time: 00:00:00.018247 Performance: 123.353 ns/day 0.195 hours/ns 7.138 steps/s 2023-04-07 16:52:22,815 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 127300 25460 49.794 -36185 5457.5 -41643 -41643 1.0606 1.1716 0.33987 2.033e+05 2023-04-07 16:52:24,723 INFO [main.py:643]
{rank 0/100} MD step = 127400 step time: 00:00:00.017992 Performance: 123.429 ns/day 0.194 hours/ns 7.143 steps/s 2023-04-07 16:52:38,962 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 127400 25480 50.124 -36194 5493.6 -41687 -41687 1.0621 1.1716 0.33972 2.0345e+05 2023-04-07 16:52:40,809 INFO [main.py:643]
{rank 0/100} MD step = 127500 step time: 00:00:00.018083 Performance: 123.414 ns/day 0.194 hours/ns 7.142 steps/s 2023-04-07 16:52:49,329 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 127500 25500 50.252 -36146 5507.6 -41653 -41653 1.0627 1.1718 0.34053 2.0362e+05 2023-04-07 16:52:51,256 INFO [main.py:643]
{rank 0/100} MD step = 127600 step time: 00:00:00.018084 Performance: 123.439 ns/day 0.194 hours/ns 7.143 steps/s 2023-04-07 16:52:52,414 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 127600 25520 50.386 -36166 5522.4 -41688 -41688 1.0634 1.1731 0.33941 2.0377e+05 2023-04-07 16:52:54,237 INFO [main.py:643]
{rank 0/100} MD step = 127700 step time: 00:00:00.018199 Performance: 123.515 ns/day 0.194 hours/ns 7.148 steps/s 2023-04-07 16:52:58,308 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 127700 25540 50.293 -36223 5512.2 -41735 -41735 1.0659 1.1741 0.33824 2.039e+05 2023-04-07 16:53:00,182 INFO [main.py:643]
{rank 0/100} MD step = 127800 step time: 00:00:00.018000 Performance: 123.570 ns/day 0.194 hours/ns 7.151 steps/s 2023-04-07 16:53:15,122 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 127800 25560 50.635 -36171 5549.6 -41721 -41721 1.0676 1.1759 0.33619 2.0406e+05 2023-04-07 16:53:17,078 INFO [main.py:643]
{rank 0/100} MD step = 127900 step time: 00:00:00.018013 Performance: 123.550 ns/day 0.194 hours/ns 7.150 steps/s 2023-04-07 16:53:21,772 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 127900 25580 50.119 -36342 5493.1 -41835 -41835 1.0673 1.1759 0.336 2.0417e+05 2023-04-07 16:53:23,588 INFO [main.py:643]
{rank 0/100} MD step = 128000 step time: 00:00:00.018119 Performance: 123.602 ns/day 0.194 hours/ns 7.153 steps/s 2023-04-07 16:53:28,544 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 128000 25600 51.129 -36080 5603.8 -41684 -41684 1.0669 1.1771 0.33781 2.0436e+05 2023-04-07 16:53:30,412 INFO [main.py:643]
{rank 0/100} MD step = 128100 step time: 00:00:00.017986 Performance: 123.651 ns/day 0.194 hours/ns 7.156 steps/s 2023-04-07 16:53:41,181 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 128100 25620 49.921 -36171 5471.5 -41643 -41643 1.0722 1.1771 0.33777 2.0452e+05 2023-04-07 16:53:46,661 INFO [main.py:643]
{rank 0/100} MD step = 128200 step time: 00:00:00.017982 Performance: 123.636 ns/day 0.194 hours/ns 7.155 steps/s 2023-04-07 16:54:00,148 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 128200 25640 48.912 -36305 5360.8 -41666 -41666 1.0714 1.176 0.33738 2.0468e+05 2023-04-07 16:54:02,061 INFO [main.py:643]
{rank 0/100} MD step = 128300 step time: 00:00:00.017992 Performance: 123.626 ns/day 0.194 hours/ns 7.154 steps/s 2023-04-07 16:54:11,330 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 128300 25660 49.842 -36224 5462.7 -41687 -41687 1.0703 1.1772 0.3373 2.0483e+05 2023-04-07 16:54:13,181 INFO [main.py:643]
{rank 0/100} MD step = 128400 step time: 00:00:00.018084 Performance: 123.645 ns/day 0.194 hours/ns 7.155 steps/s 2023-04-07 16:54:18,088 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 128400 25680 49.681 -36238 5445.2 -41683 -41683 1.073 1.1778 0.33476 2.0501e+05 2023-04-07 16:54:19,953 INFO [main.py:643]
{rank 0/100} MD step = 128500 step time: 00:00:00.017902 Performance: 123.695 ns/day 0.194 hours/ns 7.158 steps/s 2023-04-07 16:54:21,512 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 128500 25700 49.806 -36224 5458.9 -41683 -41683 1.0742 1.1802 0.33491 2.0513e+05 2023-04-07 16:54:23,385 INFO [main.py:643]
{rank 0/100} MD step = 128600 step time: 00:00:00.018248 Performance: 123.768 ns/day 0.194 hours/ns 7.162 steps/s 2023-04-07 16:54:45,410 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 128600 25720 49.525 -36302 5428 -41730 -41730 1.0775 1.1818 0.33497 2.0529e+05 2023-04-07 16:54:47,247 INFO [main.py:643]
{rank 0/100} MD step = 128700 step time: 00:00:00.018005 Performance: 123.700 ns/day 0.194 hours/ns 7.159 steps/s 2023-04-07 16:54:55,982 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 128700 25740 49.31 -36199 5404.4 -41604 -41604 1.0774 1.183 0.33417 2.055e+05 2023-04-07 16:54:57,917 INFO [main.py:643]
{rank 0/100} MD step = 128800 step time: 00:00:00.020439 Performance: 123.722 ns/day 0.194 hours/ns 7.160 steps/s 2023-04-07 16:55:02,361 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 128800 25760 50.216 -36189 5503.7 -41692 -41692 1.0775 1.1856 0.33469 2.0563e+05 2023-04-07 16:55:04,441 INFO [main.py:643]
{rank 0/100} MD step = 128900 step time: 00:00:00.017957 Performance: 123.773 ns/day 0.194 hours/ns 7.163 steps/s 2023-04-07 16:55:17,800 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 128900 25780 49.483 -36299 5423.5 -41722 -41722 1.0806 1.185 0.33444 2.0578e+05 2023-04-07 16:55:19,696 INFO [main.py:643]
{rank 0/100} MD step = 129000 step time: 00:00:00.018045 Performance: 123.764 ns/day 0.194 hours/ns 7.162 steps/s 2023-04-07 16:55:32,469 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 129000 25800 50.184 -36212 5500.2 -41713 -41713 1.0829 1.1863 0.33548 2.0594e+05 2023-04-07 16:55:34,317 INFO [main.py:643]
{rank 0/100} MD step = 129100 step time: 00:00:00.017979 Performance: 123.760 ns/day 0.194 hours/ns 7.162 steps/s 2023-04-07 16:55:47,319 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 129100 25820 50.126 -36260 5493.8 -41754 -41754 1.0875 1.1869 0.33762 2.0609e+05 2023-04-07 16:55:49,133 INFO [main.py:643]
{rank 0/100} MD step = 129200 step time: 00:00:00.018150 Performance: 123.754 ns/day 0.194 hours/ns 7.162 steps/s 2023-04-07 16:55:58,354 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 129200 25840 49.977 -36214 5477.5 -41692 -41692 1.0901 1.1876 0.33815 2.0626e+05 2023-04-07 16:56:00,368 INFO [main.py:643]
{rank 0/100} MD step = 129300 step time: 00:00:00.018140 Performance: 123.773 ns/day 0.194 hours/ns 7.163 steps/s 2023-04-07 16:56:09,044 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 129300 25860 49.603 -36316 5436.5 -41753 -41753 1.091 1.1898 0.33914 2.0642e+05 2023-04-07 16:56:11,131 INFO [main.py:643]
{rank 0/100} MD step = 129400 step time: 00:00:00.018005 Performance: 123.795 ns/day 0.194 hours/ns 7.164 steps/s 2023-04-07 16:56:23,941 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 129400 25880 49.576 -36219 5433.6 -41653 -41653 1.0918 1.1911 0.33949 2.0659e+05 2023-04-07 16:56:25,907 INFO [main.py:643]
{rank 0/100} MD step = 129500 step time: 00:00:00.017931 Performance: 123.789 ns/day 0.194 hours/ns 7.164 steps/s 2023-04-07 16:56:30,959 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 129500 25900 49.808 -36189 5459.1 -41648 -41648 1.0947 1.192 0.33914 2.0675e+05 2023-04-07 16:56:36,340 INFO [main.py:643]
{rank 0/100} MD step = 129600 step time: 00:00:00.017926 Performance: 123.813 ns/day 0.194 hours/ns 7.165 steps/s 2023-04-07 16:56:43,566 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 129600 25920 49.975 -36206 5477.3 -41684 -41684 1.0958 1.192 0.34061 2.0691e+05 2023-04-07 16:56:45,456 INFO [main.py:643]
{rank 0/100} MD step = 129700 step time: 00:00:00.018070 Performance: 123.846 ns/day 0.194 hours/ns 7.167 steps/s 2023-04-07 16:57:02,736 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 129700 25940 51.302 -36037 5622.8 -41660 -41660 1.0976 1.194 0.34158 2.0707e+05 2023-04-07 16:57:04,686 INFO [main.py:643]
{rank 0/100} MD step = 129800 step time: 00:00:00.018075 Performance: 123.810 ns/day 0.194 hours/ns 7.165 steps/s 2023-04-07 16:57:22,118 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 129800 25960 50.196 -36157 5501.5 -41659 -41659 1.0988 1.1959 0.34134 2.0724e+05 2023-04-07 16:57:27,938 INFO [main.py:643]
{rank 0/100} MD step = 129900 step time: 00:00:00.018108 Performance: 123.747 ns/day 0.194 hours/ns 7.161 steps/s 2023-04-07 16:57:41,601 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 129900 25980 50.252 -36219 5507.7 -41727 -41727 1.0996 1.1966 0.34147 2.0739e+05 2023-04-07 16:57:43,614 INFO [main.py:643]
{rank 0/100} MD step = 130000 step time: 00:00:00.017924 Performance: 123.735 ns/day 0.194 hours/ns 7.161 steps/s 2023-04-07 16:57:52,600 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 130000 26000 50.313 -36150 5514.4 -41664 -41664 1.1019 1.1974 0.34276 2.0757e+05 2023-04-07 16:57:54,573 INFO [main.py:643]
{rank 0/100} MD step = 130100 step time: 00:00:00.018146 Performance: 123.756 ns/day 0.194 hours/ns 7.162 steps/s 2023-04-07 16:57:59,303 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 130100 26020 49.045 -36157 5375.3 -41532 -41532 1.1032 1.1968 0.34431 2.0774e+05 2023-04-07 16:58:01,195 INFO [main.py:643]
{rank 0/100} MD step = 130200 step time: 00:00:00.018001 Performance: 123.806 ns/day 0.194 hours/ns 7.165 steps/s 2023-04-07 16:58:05,651 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 130200 26040 49.785 -36311 5456.5 -41767 -41767 1.1017 1.1968 0.3437 2.0787e+05 2023-04-07 16:58:07,633 INFO [main.py:643]
{rank 0/100} MD step = 130300 step time: 00:00:00.017922 Performance: 123.857 ns/day 0.194 hours/ns 7.168 steps/s 2023-04-07 16:58:24,133 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 130300 26060 50.491 -36109 5533.8 -41643 -41643 1.105 1.1979 0.34352 2.0804e+05 2023-04-07 16:58:26,086 INFO [main.py:643]
{rank 0/100} MD step = 130400 step time: 00:00:00.018052 Performance: 123.826 ns/day 0.194 hours/ns 7.166 steps/s 2023-04-07 16:58:39,847 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 130400 26080 49.897 -36221 5468.7 -41690 -41690 1.1071 1.198 0.3452 2.082e+05 2023-04-07 16:58:41,706 INFO [main.py:643]
{rank 0/100} MD step = 130500 step time: 00:00:00.018120 Performance: 123.815 ns/day 0.194 hours/ns 7.165 steps/s 2023-04-07 16:58:45,851 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 130500 26100 50.125 -36170 5493.8 -41664 -41664 1.107 1.1987 0.347 2.0841e+05 2023-04-07 16:58:55,368 INFO [main.py:643]
{rank 0/100} MD step = 130600 step time: 00:00:00.017885 Performance: 123.817 ns/day 0.194 hours/ns 7.165 steps/s 2023-04-07 16:59:09,182 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 130600 26120 50.616 -36179 5547.6 -41726 -41726 1.1079 1.1996 0.34819 2.0854e+05 2023-04-07 16:59:11,088 INFO [main.py:643]
{rank 0/100} MD step = 130700 step time: 00:00:00.032895 Performance: 123.805 ns/day 0.194 hours/ns 7.165 steps/s 2023-04-07 16:59:28,941 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 130700 26140 49.907 -36332 5469.8 -41801 -41801 1.11 1.2007 0.34663 2.087e+05 2023-04-07 16:59:30,823 INFO [main.py:643]
{rank 0/100} MD step = 130800 step time: 00:00:00.018243 Performance: 123.766 ns/day 0.194 hours/ns 7.162 steps/s 2023-04-07 16:59:35,193 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 130800 26160 50.15 -36222 5496.5 -41718 -41718 1.1105 1.203 0.34958 2.0886e+05 2023-04-07 16:59:37,075 INFO [main.py:643]
{rank 0/100} MD step = 130900 step time: 00:00:00.018021 Performance: 123.818 ns/day 0.194 hours/ns 7.165 steps/s 2023-04-07 16:59:50,071 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 130900 26180 49.778 -36253 5455.7 -41709 -41709 1.1108 1.2024 0.35013 2.0906e+05 2023-04-07 16:59:52,002 INFO [main.py:643]
{rank 0/100} MD step = 131000 step time: 00:00:00.017998 Performance: 123.811 ns/day 0.194 hours/ns 7.165 steps/s 2023-04-07 17:00:13,955 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 131000 26200 49.757 -36176 5453.5 -41630 -41630 1.1121 1.2038 0.35023 2.0927e+05 2023-04-07 17:00:15,833 INFO [main.py:643]
{rank 0/100} MD step = 131100 step time: 00:00:00.017958 Performance: 123.745 ns/day 0.194 hours/ns 7.161 steps/s 2023-04-07 17:00:24,969 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 131100 26220 49.918 -36256 5471.1 -41727 -41727 1.1149 1.205 0.35128 2.094e+05 2023-04-07 17:00:30,374 INFO [main.py:643]
{rank 0/100} MD step = 131200 step time: 00:00:00.018018 Performance: 123.741 ns/day 0.194 hours/ns 7.161 steps/s 2023-04-07 17:00:39,841 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 131200 26240 50.277 -36197 5510.5 -41707 -41707 1.1147 1.2063 0.35092 2.0957e+05 2023-04-07 17:00:41,946 INFO [main.py:643]
{rank 0/100} MD step = 131300 step time: 00:00:00.018016 Performance: 123.757 ns/day 0.194 hours/ns 7.162 steps/s 2023-04-07 17:01:03,038 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 131300 26260 49.867 -36155 5465.4 -41620 -41620 1.1183 1.2067 0.35101 2.0976e+05 2023-04-07 17:01:04,954 INFO [main.py:643]
{rank 0/100} MD step = 131400 step time: 00:00:00.018041 Performance: 123.696 ns/day 0.194 hours/ns 7.158 steps/s 2023-04-07 17:01:20,459 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 131400 26280 49.69 -36203 5446.1 -41649 -41649 1.1197 1.2081 0.35148 2.0992e+05 2023-04-07 17:01:22,354 INFO [main.py:643]
{rank 0/100} MD step = 131500 step time: 00:00:00.017978 Performance: 123.673 ns/day 0.194 hours/ns 7.157 steps/s 2023-04-07 17:01:39,718 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 131500 26300 50.049 -36203 5485.5 -41689 -41689 1.1223 1.2081 0.35326 2.1007e+05 2023-04-07 17:01:41,587 INFO [main.py:643]
{rank 0/100} MD step = 131600 step time: 00:00:00.017995 Performance: 123.637 ns/day 0.194 hours/ns 7.155 steps/s 2023-04-07 17:01:54,717 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 131600 26320 50.447 -36187 5529 -41716 -41716 1.1231 1.2092 0.35573 2.1024e+05 2023-04-07 17:01:56,588 INFO [main.py:643]
{rank 0/100} MD step = 131700 step time: 00:00:00.017955 Performance: 123.631 ns/day 0.194 hours/ns 7.155 steps/s 2023-04-07 17:02:01,490 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 131700 26340 50.418 -36139 5525.9 -41665 -41665 1.1252 1.2106 0.35674 2.1038e+05 2023-04-07 17:02:03,363 INFO [main.py:643]
{rank 0/100} MD step = 131800 step time: 00:00:00.017890 Performance: 123.679 ns/day 0.194 hours/ns 7.157 steps/s 2023-04-07 17:02:20,574 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 131800 26360 50.039 -36175 5484.4 -41660 -41660 1.1263 1.2109 0.35724 2.1055e+05 2023-04-07 17:02:22,441 INFO [main.py:643]
{rank 0/100} MD step = 131900 step time: 00:00:00.018122 Performance: 123.645 ns/day 0.194 hours/ns 7.155 steps/s 2023-04-07 17:02:41,918 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 131900 26380 49.65 -36186 5441.8 -41628 -41628 1.1259 1.2107 0.35802 2.107e+05 2023-04-07 17:02:43,880 INFO [main.py:643]
{rank 0/100} MD step = 132000 step time: 00:00:00.017918 Performance: 123.595 ns/day 0.194 hours/ns 7.152 steps/s 2023-04-07 17:03:18,394 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 132000 26400 49.173 -36214 5389.4 -41604 -41604 1.1251 1.2116 0.35863 2.1086e+05 2023-04-07 17:03:20,382 INFO [main.py:643]
{rank 0/100} MD step = 132100 step time: 00:00:00.017952 Performance: 123.444 ns/day 0.194 hours/ns 7.144 steps/s 2023-04-07 17:03:24,953 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 132100 26420 49.719 -36337 5449.3 -41786 -41786 1.1264 1.2135 0.36059 2.1098e+05 2023-04-07 17:03:26,775 INFO [main.py:643]
{rank 0/100} MD step = 132200 step time: 00:00:00.018035 Performance: 123.495 ns/day 0.194 hours/ns 7.147 steps/s 2023-04-07 17:03:35,795 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 132200 26440 50.903 -36029 5579 -41608 -41608 1.1273 1.2151 0.3617 2.1117e+05 2023-04-07 17:03:37,629 INFO [main.py:643]
{rank 0/100} MD step = 132300 step time: 00:00:00.018000 Performance: 123.516 ns/day 0.194 hours/ns 7.148 steps/s 2023-04-07 17:03:59,234 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 132300 26460 50.909 -36059 5579.6 -41638 -41638 1.1306 1.214 0.36244 2.1134e+05 2023-04-07 17:04:05,147 INFO [main.py:643]
{rank 0/100} MD step = 132400 step time: 00:00:00.017952 Performance: 123.426 ns/day 0.194 hours/ns 7.143 steps/s 2023-04-07 17:04:14,398 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 132400 26480 50.11 -36180 5492.2 -41672 -41672 1.1313 1.2149 0.36354 2.1151e+05 2023-04-07 17:04:20,181 INFO [main.py:643]
{rank 0/100} MD step = 132500 step time: 00:00:00.018137 Performance: 123.419 ns/day 0.194 hours/ns 7.142 steps/s 2023-04-07 17:04:25,322 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 132500 26500 49.505 -36257 5425.8 -41683 -41683 1.1325 1.2158 0.36298 2.1168e+05 2023-04-07 17:04:27,168 INFO [main.py:643]
{rank 0/100} MD step = 132600 step time: 00:00:00.018128 Performance: 123.465 ns/day 0.194 hours/ns 7.145 steps/s 2023-04-07 17:04:31,981 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 132600 26520 49.995 -36225 5479.5 -41705 -41705 1.1323 1.2168 0.36557 2.1183e+05 2023-04-07 17:04:33,771 INFO [main.py:643]
{rank 0/100} MD step = 132700 step time: 00:00:00.018116 Performance: 123.515 ns/day 0.194 hours/ns 7.148 steps/s 2023-04-07 17:04:47,347 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 132700 26540 50.062 -36227 5486.9 -41714 -41714 1.1321 1.2185 0.3633 2.1198e+05 2023-04-07 17:04:49,149 INFO [main.py:643]
{rank 0/100} MD step = 132800 step time: 00:00:00.018057 Performance: 123.505 ns/day 0.194 hours/ns 7.147 steps/s 2023-04-07 17:04:54,720 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 132800 26560 49.435 -36155 5418.2 -41573 -41573 1.1345 1.2203 0.36181 2.1213e+05 2023-04-07 17:04:57,675 INFO [main.py:643]
{rank 0/100} MD step = 132900 step time: 00:00:00.019964 Performance: 123.542 ns/day 0.194 hours/ns 7.149 steps/s 2023-04-07 17:05:14,541 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 132900 26580 49.358 -36215 5409.7 -41625 -41625 1.1363 1.2198 0.36218 2.1229e+05 2023-04-07 17:05:16,498 INFO [main.py:643]
{rank 0/100} MD step = 133000 step time: 00:00:00.017997 Performance: 123.510 ns/day 0.194 hours/ns 7.148 steps/s 2023-04-07 17:05:34,283 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 133000 26600 50.636 -36215 5549.8 -41764 -41764 1.1373 1.2205 0.36394 2.1245e+05 2023-04-07 17:05:36,208 INFO [main.py:643]
{rank 0/100} MD step = 133100 step time: 00:00:00.018187 Performance: 123.472 ns/day 0.194 hours/ns 7.145 steps/s 2023-04-07 17:06:06,044 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 133100 26620 49.535 -36279 5429.1 -41708 -41708 1.1382 1.2219 0.36252 2.1261e+05 2023-04-07 17:06:07,924 INFO [main.py:643]
{rank 0/100} MD step = 133200 step time: 00:00:00.019671 Performance: 123.354 ns/day 0.195 hours/ns 7.139 steps/s 2023-04-07 17:06:25,231 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 133200 26640 50.069 -36154 5487.7 -41642 -41642 1.1404 1.2226 0.36276 2.1277e+05 2023-04-07 17:06:27,398 INFO [main.py:643]
{rank 0/100} MD step = 133300 step time: 00:00:00.018063 Performance: 123.318 ns/day 0.195 hours/ns 7.136 steps/s 2023-04-07 17:06:37,069 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 133300 26660 50.201 -36191 5502.1 -41693 -41693 1.1392 1.2236 0.36242 2.1291e+05 2023-04-07 17:06:38,918 INFO [main.py:643]
{rank 0/100} MD step = 133400 step time: 00:00:00.018029 Performance: 123.335 ns/day 0.195 hours/ns 7.137 steps/s 2023-04-07 17:06:52,818 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 133400 26680 49.883 -36284 5467.2 -41751 -41751 1.1399 1.2234 0.36387 2.1309e+05 2023-04-07 17:06:54,620 INFO [main.py:643]
{rank 0/100} MD step = 133500 step time: 00:00:00.018000 Performance: 123.324 ns/day 0.195 hours/ns 7.137 steps/s 2023-04-07 17:07:13,627 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 133500 26700 49.739 -36272 5451.5 -41723 -41723 1.1391 1.2257 0.36295 2.1325e+05 2023-04-07 17:07:15,479 INFO [main.py:643]
{rank 0/100} MD step = 133600 step time: 00:00:00.018125 Performance: 123.279 ns/day 0.195 hours/ns 7.134 steps/s 2023-04-07 17:07:36,329 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 133600 26720 50.049 -36152 5485.5 -41637 -41637 1.1386 1.2251 0.36237 2.1341e+05 2023-04-07 17:07:38,190 INFO [main.py:643]
{rank 0/100} MD step = 133700 step time: 00:00:00.017941 Performance: 123.221 ns/day 0.195 hours/ns 7.131 steps/s 2023-04-07 17:07:47,490 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 133700 26740 49.566 -36289 5432.5 -41722 -41722 1.1435 1.2256 0.36242 2.1356e+05 2023-04-07 17:07:49,334 INFO [main.py:643]
{rank 0/100} MD step = 133800 step time: 00:00:00.018059 Performance: 123.240 ns/day 0.195 hours/ns 7.132 steps/s 2023-04-07 17:07:57,916 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 133800 26760 49.995 -36293 5479.5 -41772 -41772 1.1435 1.2264 0.36131 2.1371e+05 2023-04-07 17:07:59,802 INFO [main.py:643]
{rank 0/100} MD step = 133900 step time: 00:00:00.018006 Performance: 123.264 ns/day 0.195 hours/ns 7.133 steps/s 2023-04-07 17:08:17,046 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 133900 26780 50.249 -36137 5507.4 -41644 -41644 1.1436 1.2262 0.36042 2.139e+05 2023-04-07 17:08:19,002 INFO [main.py:643]
{rank 0/100} MD step = 134000 step time: 00:00:00.018212 Performance: 123.230 ns/day 0.195 hours/ns 7.131 steps/s 2023-04-07 17:08:36,189 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 134000 26800 49.842 -36118 5462.7 -41581 -41581 1.143 1.2267 0.36114 2.1408e+05 2023-04-07 17:08:38,180 INFO [main.py:643]
{rank 0/100} MD step = 134100 step time: 00:00:00.017925 Performance: 123.196 ns/day 0.195 hours/ns 7.129 steps/s 2023-04-07 17:08:47,138 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 134100 26820 49.938 -36179 5473.3 -41652 -41652 1.1419 1.2283 0.36406 2.1425e+05 2023-04-07 17:08:49,144 INFO [main.py:643]
{rank 0/100} MD step = 134200 step time: 00:00:00.018033 Performance: 123.216 ns/day 0.195 hours/ns 7.131 steps/s 2023-04-07 17:09:10,533 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 134200 26840 49.336 -36315 5407.3 -41722 -41722 1.1408 1.229 0.36396 2.144e+05 2023-04-07 17:09:12,544 INFO [main.py:643]
{rank 0/100} MD step = 134300 step time: 00:00:00.018073 Performance: 123.155 ns/day 0.195 hours/ns 7.127 steps/s 2023-04-07 17:09:25,487 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 134300 26860 49.846 -36245 5463.2 -41708 -41708 1.141 1.2296 0.36393 2.1459e+05 2023-04-07 17:09:27,399 INFO [main.py:643]
{rank 0/100} MD step = 134400 step time: 00:00:00.018010 Performance: 123.149 ns/day 0.195 hours/ns 7.127 steps/s 2023-04-07 17:09:36,586 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 134400 26880 50.02 -36218 5482.3 -41701 -41701 1.1396 1.2295 0.3641 2.1476e+05 2023-04-07 17:09:38,559 INFO [main.py:643]
{rank 0/100} MD step = 134500 step time: 00:00:00.017978 Performance: 123.168 ns/day 0.195 hours/ns 7.128 steps/s 2023-04-07 17:09:43,035 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 134500 26900 49.737 -36257 5451.2 -41709 -41709 1.1426 1.2309 0.36483 2.1489e+05 2023-04-07 17:09:48,804 INFO [main.py:643]
{rank 0/100} MD step = 134600 step time: 00:00:00.019010 Performance: 123.193 ns/day 0.195 hours/ns 7.129 steps/s 2023-04-07 17:10:02,442 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 134600 26920 49.256 -36391 5398.5 -41789 -41789 1.1443 1.2317 0.36555 2.1505e+05 2023-04-07 17:10:04,321 INFO [main.py:643]
{rank 0/100} MD step = 134700 step time: 00:00:00.018068 Performance: 123.183 ns/day 0.195 hours/ns 7.129 steps/s 2023-04-07 17:10:17,176 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 134700 26940 50.118 -36263 5493 -41756 -41756 1.1441 1.2338 0.366 2.1522e+05 2023-04-07 17:10:23,378 INFO [main.py:643]
{rank 0/100} MD step = 134800 step time: 00:00:00.017926 Performance: 123.150 ns/day 0.195 hours/ns 7.127 steps/s 2023-04-07 17:10:28,245 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 134800 26960 49.808 -36302 5459 -41761 -41761 1.1457 1.2349 0.36693 2.1537e+05 2023-04-07 17:10:30,143 INFO [main.py:643]
{rank 0/100} MD step = 134900 step time: 00:00:00.018048 Performance: 123.197 ns/day 0.195 hours/ns 7.129 steps/s 2023-04-07 17:10:39,544 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 134900 26980 49.149 -36291 5386.8 -41678 -41678 1.1459 1.2355 0.36814 2.1555e+05 2023-04-07 17:10:41,438 INFO [main.py:643]
{rank 0/100} MD step = 135000 step time: 00:00:00.018096 Performance: 123.215 ns/day 0.195 hours/ns 7.131 steps/s 2023-04-07 17:11:10,978 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 135000 27000 50.613 -36108 5547.3 -41655 -41655 1.1459 1.2341 0.36705 2.1572e+05 2023-04-07 17:11:16,960 INFO [main.py:643]
{rank 0/100} MD step = 135100 step time: 00:00:00.017991 Performance: 123.076 ns/day 0.195 hours/ns 7.122 steps/s 2023-04-07 17:11:22,352 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 135100 27020 49.875 -36244 5466.4 -41710 -41710 1.1472 1.2347 0.3692 2.1588e+05 2023-04-07 17:11:24,284 INFO [main.py:643]
{rank 0/100} MD step = 135200 step time: 00:00:00.018117 Performance: 123.119 ns/day 0.195 hours/ns 7.125 steps/s 2023-04-07 17:11:36,627 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 135200 27040 49.706 -36261 5447.9 -41708 -41708 1.1452 1.2349 0.37056 2.1603e+05 2023-04-07 17:11:38,633 INFO [main.py:643]
{rank 0/100} MD step = 135300 step time: 00:00:00.017846 Performance: 123.117 ns/day 0.195 hours/ns 7.125 steps/s 2023-04-07 17:11:52,046 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 135300 27060 50.618 -36144 5547.8 -41692 -41692 1.1459 1.2347 0.37103 2.1618e+05 2023-04-07 17:11:53,885 INFO [main.py:643]
{rank 0/100} MD step = 135400 step time: 00:00:00.018070 Performance: 123.109 ns/day 0.195 hours/ns 7.124 steps/s 2023-04-07 17:12:15,910 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 135400 27080 50.482 -36189 5532.8 -41722 -41722 1.1484 1.2342 0.37199 2.1633e+05 2023-04-07 17:12:17,733 INFO [main.py:643]
{rank 0/100} MD step = 135500 step time: 00:00:00.018253 Performance: 123.046 ns/day 0.195 hours/ns 7.121 steps/s 2023-04-07 17:12:34,544 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 135500 27100 49.665 -36220 5443.4 -41664 -41664 1.1508 1.2344 0.37234 2.1649e+05 2023-04-07 17:12:40,578 INFO [main.py:643]
{rank 0/100} MD step = 135600 step time: 00:00:00.017794 Performance: 122.989 ns/day 0.195 hours/ns 7.117 steps/s 2023-04-07 17:12:57,242 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 135600 27120 50.458 -36185 5530.2 -41715 -41715 1.1542 1.2344 0.37313 2.1665e+05 2023-04-07 17:12:59,282 INFO [main.py:643]
{rank 0/100} MD step = 135700 step time: 00:00:00.018244 Performance: 122.959 ns/day 0.195 hours/ns 7.116 steps/s 2023-04-07 17:13:24,382 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 135700 27140 49.994 -36161 5479.4 -41640 -41640 1.1548 1.2352 0.37297 2.1681e+05 2023-04-07 17:13:30,090 INFO [main.py:643]
{rank 0/100} MD step = 135800 step time: 00:00:00.017892 Performance: 122.851 ns/day 0.195 hours/ns 7.109 steps/s 2023-04-07 17:13:35,284 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 135800 27160 49.636 -36130 5440.2 -41570 -41570 1.1563 1.2365 0.37283 2.17e+05 2023-04-07 17:13:37,131 INFO [main.py:643]
{rank 0/100} MD step = 135900 step time: 00:00:00.018091 Performance: 122.896 ns/day 0.195 hours/ns 7.112 steps/s 2023-04-07 17:13:46,035 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 135900 27180 50.335 -36117 5516.8 -41634 -41634 1.1558 1.2369 0.37299 2.1712e+05 2023-04-07 17:13:47,933 INFO [main.py:643]
{rank 0/100} MD step = 136000 step time: 00:00:00.018111 Performance: 122.917 ns/day 0.195 hours/ns 7.113 steps/s 2023-04-07 17:14:05,798 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 136000 27200 50.471 -36093 5531.6 -41625 -41625 1.1548 1.2389 0.37353 2.1727e+05 2023-04-07 17:14:10,800 INFO [main.py:643]
{rank 0/100} MD step = 136100 step time: 00:00:00.018004 Performance: 122.861 ns/day 0.195 hours/ns 7.110 steps/s 2023-04-07 17:14:16,044 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 136100 27220 50.149 -36236 5496.4 -41732 -41732 1.1579 1.2404 0.37318 2.1743e+05 2023-04-07 17:14:21,483 INFO [main.py:643]
{rank 0/100} MD step = 136200 step time: 00:00:00.017894 Performance: 122.882 ns/day 0.195 hours/ns 7.111 steps/s 2023-04-07 17:14:30,605 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 136200 27240 50.543 -36077 5539.6 -41617 -41617 1.1576 1.2399 0.37334 2.1762e+05 2023-04-07 17:14:32,473 INFO [main.py:643]
{rank 0/100} MD step = 136300 step time: 00:00:00.018003 Performance: 122.902 ns/day 0.195 hours/ns 7.112 steps/s 2023-04-07 17:14:37,273 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 136300 27260 50.338 -36178 5517.1 -41695 -41695 1.158 1.2414 0.37561 2.1777e+05 2023-04-07 17:14:39,128 INFO [main.py:643]
{rank 0/100} MD step = 136400 step time: 00:00:00.019703 Performance: 122.949 ns/day 0.195 hours/ns 7.115 steps/s 2023-04-07 17:14:52,184 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 136400 27280 49.62 -36280 5438.4 -41718 -41718 1.1582 1.2431 0.37587 2.1794e+05 2023-04-07 17:14:54,135 INFO [main.py:643]
{rank 0/100} MD step = 136500 step time: 00:00:00.017998 Performance: 122.943 ns/day 0.195 hours/ns 7.115 steps/s 2023-04-07 17:15:06,898 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 136500 27300 50.43 -36219 5527.2 -41746 -41746 1.1631 1.2436 0.37614 2.1806e+05 2023-04-07 17:15:08,742 INFO [main.py:643]
{rank 0/100} MD step = 136600 step time: 00:00:00.018384 Performance: 122.940 ns/day 0.195 hours/ns 7.115 steps/s 2023-04-07 17:15:28,408 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 136600 27320 50.245 -36200 5506.9 -41707 -41707 1.1652 1.2449 0.37594 2.1824e+05 2023-04-07 17:15:30,394 INFO [main.py:643]
{rank 0/100} MD step = 136700 step time: 00:00:00.018030 Performance: 122.891 ns/day 0.195 hours/ns 7.112 steps/s 2023-04-07 17:15:53,077 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 136700 27340 50.273 -36112 5510 -41622 -41622 1.1651 1.247 0.37579 2.1841e+05 2023-04-07 17:15:58,122 INFO [main.py:643]
{rank 0/100} MD step = 136800 step time: 00:00:00.017943 Performance: 122.804 ns/day 0.195 hours/ns 7.107 steps/s 2023-04-07 17:16:13,492 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 136800 27360 50.756 -36064 5562.9 -41627 -41627 1.1668 1.2477 0.37701 2.1858e+05 2023-04-07 17:16:15,475 INFO [main.py:643]
{rank 0/100} MD step = 136900 step time: 00:00:00.018077 Performance: 122.783 ns/day 0.195 hours/ns 7.106 steps/s 2023-04-07 17:16:24,749 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 136900 27380 49.266 -36285 5399.6 -41684 -41684 1.1682 1.2496 0.37647 2.1873e+05 2023-04-07 17:16:26,720 INFO [main.py:643]
{rank 0/100} MD step = 137000 step time: 00:00:00.018070 Performance: 122.801 ns/day 0.195 hours/ns 7.107 steps/s 2023-04-07 17:16:48,106 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 137000 27400 50.251 -36090 5507.6 -41598 -41598 1.1699 1.2507 0.37648 2.1889e+05 2023-04-07 17:16:50,000 INFO [main.py:643]
{rank 0/100} MD step = 137100 step time: 00:00:00.017922 Performance: 122.742 ns/day 0.196 hours/ns 7.103 steps/s 2023-04-07 17:16:59,776 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 137100 27420 49.91 -36262 5470.2 -41732 -41732 1.1719 1.2513 0.37602 2.1902e+05 2023-04-07 17:17:01,639 INFO [main.py:643]
{rank 0/100} MD step = 137200 step time: 00:00:00.018074 Performance: 122.758 ns/day 0.196 hours/ns 7.104 steps/s 2023-04-07 17:17:14,057 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 137200 27440 50.065 -36166 5487.2 -41653 -41653 1.1743 1.2531 0.37605 2.192e+05 2023-04-07 17:17:15,949 INFO [main.py:643]
{rank 0/100} MD step = 137300 step time: 00:00:00.017880 Performance: 122.757 ns/day 0.196 hours/ns 7.104 steps/s 2023-04-07 17:17:29,016 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 137300 27460 51.209 -36106 5612.6 -41719 -41719 1.1751 1.2549 0.3768 2.1936e+05 2023-04-07 17:17:31,427 INFO [main.py:643]
{rank 0/100} MD step = 137400 step time: 00:00:00.018050 Performance: 122.748 ns/day 0.196 hours/ns 7.103 steps/s 2023-04-07 17:17:52,563 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 137400 27480 49.715 -36231 5448.9 -41680 -41680 1.1763 1.2571 0.37745 2.1955e+05 2023-04-07 17:17:54,505 INFO [main.py:643]
{rank 0/100} MD step = 137500 step time: 00:00:00.018197 Performance: 122.691 ns/day 0.196 hours/ns 7.100 steps/s 2023-04-07 17:18:07,479 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 137500 27500 49.555 -36343 5431.3 -41774 -41774 1.1772 1.258 0.37675 2.1969e+05 2023-04-07 17:18:09,529 INFO [main.py:643]
{rank 0/100} MD step = 137600 step time: 00:00:00.018007 Performance: 122.685 ns/day 0.196 hours/ns 7.100 steps/s 2023-04-07 17:18:27,337 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 137600 27520 49.647 -36292 5441.4 -41733 -41733 1.1808 1.2572 0.37669 2.1986e+05 2023-04-07 17:18:29,178 INFO [main.py:643]
{rank 0/100} MD step = 137700 step time: 00:00:00.018103 Performance: 122.649 ns/day 0.196 hours/ns 7.098 steps/s 2023-04-07 17:18:50,603 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 137700 27540 50.301 -36242 5513.1 -41755 -41755 1.1812 1.258 0.37768 2.2002e+05 2023-04-07 17:18:52,451 INFO [main.py:643]
{rank 0/100} MD step = 137800 step time: 00:00:00.018278 Performance: 122.591 ns/day 0.196 hours/ns 7.094 steps/s 2023-04-07 17:19:01,446 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 137800 27560 50.027 -36173 5483 -41656 -41656 1.1842 1.2577 0.3788 2.2019e+05 2023-04-07 17:19:03,379 INFO [main.py:643]
{rank 0/100} MD step = 137900 step time: 00:00:00.017995 Performance: 122.611 ns/day 0.196 hours/ns 7.096 steps/s 2023-04-07 17:19:04,527 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 137900 27580 50.313 -36123 5514.4 -41638 -41638 1.1847 1.2575 0.37968 2.2034e+05 2023-04-07 17:19:06,398 INFO [main.py:643]
{rank 0/100} MD step = 138000 step time: 00:00:00.018016 Performance: 122.681 ns/day 0.196 hours/ns 7.100 steps/s 2023-04-07 17:19:20,384 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 138000 27600 50.536 -36178 5538.8 -41717 -41717 1.1856 1.2582 0.38162 2.2048e+05 2023-04-07 17:19:28,607 INFO [main.py:643]
{rank 0/100} MD step = 138100 step time: 00:00:00.017963 Performance: 122.630 ns/day 0.196 hours/ns 7.097 steps/s 2023-04-07 17:19:50,864 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 138100 27620 49.458 -36345 5420.7 -41765 -41765 1.1873 1.2571 0.3824 2.2062e+05 2023-04-07 17:19:52,827 INFO [main.py:643]
{rank 0/100} MD step = 138200 step time: 00:00:00.018255 Performance: 122.566 ns/day 0.196 hours/ns 7.093 steps/s 2023-04-07 17:20:05,413 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 138200 27640 50.259 -36142 5508.5 -41650 -41650 1.1895 1.2563 0.38213 2.2078e+05 2023-04-07 17:20:11,827 INFO [main.py:643]
{rank 0/100} MD step = 138300 step time: 00:00:00.018030 Performance: 122.536 ns/day 0.196 hours/ns 7.091 steps/s 2023-04-07 17:20:25,461 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 138300 27660 49.353 -36336 5409.1 -41746 -41746 1.1915 1.2585 0.38211 2.2094e+05 2023-04-07 17:20:27,489 INFO [main.py:643]
{rank 0/100} MD step = 138400 step time: 00:00:00.018031 Performance: 122.526 ns/day 0.196 hours/ns 7.091 steps/s 2023-04-07 17:20:53,121 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 138400 27680 50.012 -36202 5481.3 -41683 -41683 1.1919 1.2577 0.38217 2.211e+05 2023-04-07 17:20:54,999 INFO [main.py:643]
{rank 0/100} MD step = 138500 step time: 00:00:00.017895 Performance: 122.442 ns/day 0.196 hours/ns 7.086 steps/s 2023-04-07 17:21:18,485 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 138500 27700 49.446 -36296 5419.4 -41715 -41715 1.1933 1.2582 0.38333 2.2128e+05 2023-04-07 17:21:20,439 INFO [main.py:643]
{rank 0/100} MD step = 138600 step time: 00:00:00.018085 Performance: 122.371 ns/day 0.196 hours/ns 7.082 steps/s 2023-04-07 17:21:25,197 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 138600 27720 50.084 -36211 5489.2 -41700 -41700 1.1935 1.2597 0.38472 2.2146e+05 2023-04-07 17:21:27,093 INFO [main.py:643]
{rank 0/100} MD step = 138700 step time: 00:00:00.018043 Performance: 122.417 ns/day 0.196 hours/ns 7.084 steps/s 2023-04-07 17:21:36,154 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 138700 27740 50.086 -36195 5489.5 -41685 -41685 1.1948 1.2589 0.38513 2.2162e+05 2023-04-07 17:21:38,014 INFO [main.py:643]
{rank 0/100} MD step = 138800 step time: 00:00:00.018025 Performance: 122.437 ns/day 0.196 hours/ns 7.086 steps/s 2023-04-07 17:21:46,560 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 138800 27760 50.353 -36261 5518.7 -41780 -41780 1.1933 1.2598 0.3837 2.2177e+05 2023-04-07 17:21:48,482 INFO [main.py:643]
{rank 0/100} MD step = 138900 step time: 00:00:00.018080 Performance: 122.460 ns/day 0.196 hours/ns 7.087 steps/s 2023-04-07 17:21:53,443 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 138900 27780 49.377 -36368 5411.8 -41780 -41780 1.1934 1.2618 0.38364 2.2195e+05 2023-04-07 17:21:55,283 INFO [main.py:643]
{rank 0/100} MD step = 139000 step time: 00:00:00.018029 Performance: 122.506 ns/day 0.196 hours/ns 7.089 steps/s 2023-04-07 17:22:08,498 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 139000 27800 50.591 -36112 5544.8 -41657 -41657 1.1972 1.2627 0.38392 2.2212e+05 2023-04-07 17:22:10,354 INFO [main.py:643]
{rank 0/100} MD step = 139100 step time: 00:00:00.018189 Performance: 122.500 ns/day 0.196 hours/ns 7.089 steps/s 2023-04-07 17:22:27,404 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 139100 27820 50.3 -36150 5513 -41663 -41663 1.1978 1.2633 0.38535 2.2227e+05 2023-04-07 17:22:29,356 INFO [main.py:643]
{rank 0/100} MD step = 139200 step time: 00:00:00.017944 Performance: 122.469 ns/day 0.196 hours/ns 7.087 steps/s 2023-04-07 17:22:38,674 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 139200 27840 50.372 -36222 5520.8 -41742 -41742 1.1981 1.2618 0.3858 2.2241e+05 2023-04-07 17:22:40,979 INFO [main.py:643]
{rank 0/100} MD step = 139300 step time: 00:00:00.018293 Performance: 122.485 ns/day 0.196 hours/ns 7.088 steps/s 2023-04-07 17:22:59,896 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 139300 27860 49.79 -36187 5457 -41644 -41644 1.199 1.262 0.38673 2.2257e+05 2023-04-07 17:23:01,795 INFO [main.py:643]
{rank 0/100} MD step = 139400 step time: 00:00:00.018111 Performance: 122.443 ns/day 0.196 hours/ns 7.086 steps/s 2023-04-07 17:23:14,472 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 139400 27880 49.763 -36145 5454.1 -41599 -41599 1.1991 1.2618 0.38787 2.2272e+05 2023-04-07 17:23:16,376 INFO [main.py:643]
{rank 0/100} MD step = 139500 step time: 00:00:00.017899 Performance: 122.440 ns/day 0.196 hours/ns 7.086 steps/s 2023-04-07 17:23:33,948 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 139500 27900 50.088 -36156 5489.7 -41646 -41646 1.1996 1.2627 0.38875 2.2288e+05 2023-04-07 17:23:35,804 INFO [main.py:643]
{rank 0/100} MD step = 139600 step time: 00:00:00.018533 Performance: 122.407 ns/day 0.196 hours/ns 7.084 steps/s 2023-04-07 17:23:58,095 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 139600 27920 50 -36078 5480 -41558 -41558 1.201 1.2627 0.38869 2.2305e+05 2023-04-07 17:24:03,482 INFO [main.py:643]
{rank 0/100} MD step = 139700 step time: 00:00:00.019792 Performance: 122.323 ns/day 0.196 hours/ns 7.079 steps/s 2023-04-07 17:24:04,673 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 139700 27940 50.177 -36314 5499.5 -41814 -41814 1.2007 1.2629 0.38913 2.2316e+05 2023-04-07 17:24:06,539 INFO [main.py:643]
{rank 0/100} MD step = 139800 step time: 00:00:00.018084 Performance: 122.392 ns/day 0.196 hours/ns 7.083 steps/s 2023-04-07 17:24:14,965 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 139800 27960 50.303 -36142 5513.3 -41656 -41656 1.2017 1.2631 0.39005 2.2335e+05 2023-04-07 17:24:16,862 INFO [main.py:643]
{rank 0/100} MD step = 139900 step time: 00:00:00.017875 Performance: 122.415 ns/day 0.196 hours/ns 7.084 steps/s 2023-04-07 17:24:21,745 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 139900 27980 49.587 -36285 5434.8 -41720 -41720 1.2042 1.2639 0.39079 2.235e+05 2023-04-07 17:24:23,591 INFO [main.py:643]
{rank 0/100} MD step = 140000 step time: 00:00:00.018023 Performance: 122.461 ns/day 0.196 hours/ns 7.087 steps/s 2023-04-07 17:24:27,892 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 140000 28000 50.449 -36282 5529.2 -41812 -41812 1.2056 1.2644 0.39136 2.2365e+05 2023-04-07 17:24:29,761 INFO [main.py:643]
{rank 0/100} MD step = 140100 step time: 00:00:00.018089 Performance: 122.510 ns/day 0.196 hours/ns 7.090 steps/s 2023-04-07 17:24:34,577 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 140100 28020 49.512 -36194 5426.5 -41621 -41621 1.206 1.2648 0.39174 2.2381e+05 2023-04-07 17:24:36,488 INFO [main.py:643]
{rank 0/100} MD step = 140200 step time: 00:00:00.018017 Performance: 122.556 ns/day 0.196 hours/ns 7.092 steps/s 2023-04-07 17:24:44,853 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 140200 28040 50.27 -36125 5509.6 -41634 -41634 1.2047 1.2657 0.39227 2.2398e+05 2023-04-07 17:24:46,741 INFO [main.py:643]
{rank 0/100} MD step = 140300 step time: 00:00:00.018137 Performance: 122.580 ns/day 0.196 hours/ns 7.094 steps/s 2023-04-07 17:24:51,510 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 140300 28060 50.122 -36208 5493.4 -41702 -41702 1.2093 1.2677 0.3924 2.2413e+05 2023-04-07 17:24:53,450 INFO [main.py:643]
{rank 0/100} MD step = 140400 step time: 00:00:00.017932 Performance: 122.625 ns/day 0.196 hours/ns 7.096 steps/s 2023-04-07 17:25:01,910 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 140400 28080 49.731 -36306 5450.6 -41757 -41757 1.2123 1.2685 0.39186 2.2427e+05 2023-04-07 17:25:03,744 INFO [main.py:643]
{rank 0/100} MD step = 140500 step time: 00:00:00.017957 Performance: 122.649 ns/day 0.196 hours/ns 7.098 steps/s 2023-04-07 17:25:19,632 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 140500 28100 49.853 -36278 5464 -41742 -41742 1.215 1.2693 0.39183 2.2446e+05 2023-04-07 17:25:21,651 INFO [main.py:643]
{rank 0/100} MD step = 140600 step time: 00:00:00.017993 Performance: 122.625 ns/day 0.196 hours/ns 7.096 steps/s 2023-04-07 17:25:31,154 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 140600 28120 50.587 -36191 5544.4 -41735 -41735 1.2152 1.2691 0.3935 2.2461e+05 2023-04-07 17:25:33,275 INFO [main.py:643]
{rank 0/100} MD step = 140700 step time: 00:00:00.017910 Performance: 122.641 ns/day 0.196 hours/ns 7.097 steps/s 2023-04-07 17:25:47,035 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 140700 28140 50.014 -36235 5481.6 -41717 -41717 1.2145 1.2696 0.39477 2.2479e+05 2023-04-07 17:25:48,934 INFO [main.py:643]
{rank 0/100} MD step = 140800 step time: 00:00:00.018037 Performance: 122.631 ns/day 0.196 hours/ns 7.097 steps/s 2023-04-07 17:26:06,405 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 140800 28160 50.043 -36214 5484.8 -41699 -41699 1.2149 1.2676 0.39537 2.2495e+05 2023-04-07 17:26:08,428 INFO [main.py:643]
{rank 0/100} MD step = 140900 step time: 00:00:00.018098 Performance: 122.598 ns/day 0.196 hours/ns 7.095 steps/s 2023-04-07 17:26:13,709 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 140900 28180 50.083 -36272 5489.1 -41761 -41761 1.2179 1.2679 0.39583 2.2508e+05 2023-04-07 17:26:18,869 INFO [main.py:643]
{rank 0/100} MD step = 141000 step time: 00:00:00.021640 Performance: 122.620 ns/day 0.196 hours/ns 7.096 steps/s 2023-04-07 17:26:20,067 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 141000 28200 50.091 -36175 5490 -41665 -41665 1.2179 1.2695 0.39631 2.2526e+05 2023-04-07 17:26:21,887 INFO [main.py:643]
{rank 0/100} MD step = 141100 step time: 00:00:00.018079 Performance: 122.688 ns/day 0.196 hours/ns 7.100 steps/s 2023-04-07 17:26:38,741 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 141100 28220 49.316 -36289 5405.1 -41694 -41694 1.2203 1.2698 0.39741 2.2543e+05 2023-04-07 17:26:44,617 INFO [main.py:643]
{rank 0/100} MD step = 141200 step time: 00:00:00.017736 Performance: 122.635 ns/day 0.196 hours/ns 7.097 steps/s 2023-04-07 17:26:49,262 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 141200 28240 50.324 -36164 5515.6 -41680 -41680 1.222 1.2699 0.39899 2.2559e+05 2023-04-07 17:26:51,226 INFO [main.py:643]
{rank 0/100} MD step = 141300 step time: 00:00:00.017960 Performance: 122.681 ns/day 0.196 hours/ns 7.100 steps/s 2023-04-07 17:27:04,296 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 141300 28260 49.902 -36297 5469.3 -41766 -41766 1.2245 1.2706 0.39925 2.2574e+05 2023-04-07 17:27:06,486 INFO [main.py:643]
{rank 0/100} MD step = 141400 step time: 00:00:00.018165 Performance: 122.674 ns/day 0.196 hours/ns 7.099 steps/s 2023-04-07 17:27:11,381 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 141400 28280 49.39 -36243 5413.2 -41657 -41657 1.2264 1.2712 0.39833 2.2594e+05 2023-04-07 17:27:13,274 INFO [main.py:643]
{rank 0/100} MD step = 141500 step time: 00:00:00.018049 Performance: 122.719 ns/day 0.196 hours/ns 7.102 steps/s 2023-04-07 17:27:21,645 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 141500 28300 49.982 -36193 5478.1 -41671 -41671 1.2246 1.2731 0.40028 2.2608e+05 2023-04-07 17:27:23,588 INFO [main.py:643]
{rank 0/100} MD step = 141600 step time: 00:00:00.018045 Performance: 122.742 ns/day 0.196 hours/ns 7.103 steps/s 2023-04-07 17:27:28,445 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 141600 28320 50.402 -36205 5524.1 -41730 -41730 1.2263 1.2758 0.40042 2.2623e+05 2023-04-07 17:27:30,239 INFO [main.py:643]
{rank 0/100} MD step = 141700 step time: 00:00:00.018046 Performance: 122.788 ns/day 0.195 hours/ns 7.106 steps/s 2023-04-07 17:27:43,664 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 141700 28340 50.517 -36191 5536.7 -41727 -41727 1.2279 1.2754 0.40171 2.2639e+05 2023-04-07 17:27:45,471 INFO [main.py:643]
{rank 0/100} MD step = 141800 step time: 00:00:00.018009 Performance: 122.781 ns/day 0.195 hours/ns 7.105 steps/s 2023-04-07 17:28:10,912 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 141800 28360 50.014 -36263 5481.6 -41745 -41745 1.2307 1.2757 0.40257 2.2656e+05 2023-04-07 17:28:12,878 INFO [main.py:643]
{rank 0/100} MD step = 141900 step time: 00:00:00.017982 Performance: 122.699 ns/day 0.196 hours/ns 7.101 steps/s 2023-04-07 17:28:30,274 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 141900 28380 49.976 -36253 5477.5 -41731 -41731 1.2324 1.2775 0.40141 2.2672e+05 2023-04-07 17:28:32,175 INFO [main.py:643]
{rank 0/100} MD step = 142000 step time: 00:00:00.018041 Performance: 122.667 ns/day 0.196 hours/ns 7.099 steps/s 2023-04-07 17:28:41,735 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 142000 28400 50.305 -36086 5513.5 -41599 -41599 1.2324 1.2781 0.40109 2.2687e+05 2023-04-07 17:28:44,869 INFO [main.py:643]
{rank 0/100} MD step = 142100 step time: 00:00:00.017940 Performance: 122.675 ns/day 0.196 hours/ns 7.099 steps/s 2023-04-07 17:28:48,111 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 142100 28420 49.39 -36330 5413.2 -41744 -41744 1.2334 1.2793 0.40191 2.2701e+05 2023-04-07 17:28:50,034 INFO [main.py:643]
{rank 0/100} MD step = 142200 step time: 00:00:00.018027 Performance: 122.730 ns/day 0.196 hours/ns 7.102 steps/s 2023-04-07 17:28:51,676 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 142200 28440 50.533 -36080 5538.5 -41619 -41619 1.2338 1.2807 0.40025 2.2719e+05 2023-04-07 17:28:53,748 INFO [main.py:643]
{rank 0/100} MD step = 142300 step time: 00:00:00.018016 Performance: 122.793 ns/day 0.195 hours/ns 7.106 steps/s 2023-04-07 17:28:59,317 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 142300 28460 49.587 -36195 5434.8 -41630 -41630 1.2329 1.2828 0.40131 2.2733e+05 2023-04-07 17:29:01,137 INFO [main.py:643]
{rank 0/100} MD step = 142400 step time: 00:00:00.017876 Performance: 122.834 ns/day 0.195 hours/ns 7.108 steps/s 2023-04-07 17:29:04,857 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 142400 28480 49.67 -36218 5443.9 -41662 -41662 1.2342 1.2837 0.39983 2.2748e+05 2023-04-07 17:29:06,737 INFO [main.py:643]
{rank 0/100} MD step = 142500 step time: 00:00:00.018443 Performance: 122.886 ns/day 0.195 hours/ns 7.111 steps/s 2023-04-07 17:29:15,355 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 142500 28500 49.336 -36336 5407.3 -41743 -41743 1.2372 1.2853 0.39953 2.2762e+05 2023-04-07 17:29:17,246 INFO [main.py:643]
{rank 0/100} MD step = 142600 step time: 00:00:00.018037 Performance: 122.908 ns/day 0.195 hours/ns 7.113 steps/s 2023-04-07 17:29:30,411 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 142600 28520 49.855 -36131 5464.2 -41595 -41595 1.2384 1.2873 0.39894 2.2783e+05 2023-04-07 17:29:32,350 INFO [main.py:643]
{rank 0/100} MD step = 142700 step time: 00:00:00.017841 Performance: 122.902 ns/day 0.195 hours/ns 7.112 steps/s 2023-04-07 17:29:45,540 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 142700 28540 50.522 -36150 5537.2 -41687 -41687 1.24 1.2876 0.3993 2.2796e+05 2023-04-07 17:29:47,401 INFO [main.py:643]
{rank 0/100} MD step = 142800 step time: 00:00:00.018035 Performance: 122.896 ns/day 0.195 hours/ns 7.112 steps/s 2023-04-07 17:29:56,300 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 142800 28560 50.627 -36189 5548.8 -41738 -41738 1.2418 1.2867 0.40052 2.2812e+05 2023-04-07 17:29:58,224 INFO [main.py:643]
{rank 0/100} MD step = 142900 step time: 00:00:00.017841 Performance: 122.915 ns/day 0.195 hours/ns 7.113 steps/s 2023-04-07 17:30:11,306 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 142900 28580 50.091 -36208 5490 -41698 -41698 1.2464 1.2863 0.40052 2.2828e+05 2023-04-07 17:30:13,154 INFO [main.py:643]
{rank 0/100} MD step = 143000 step time: 00:00:00.017940 Performance: 122.910 ns/day 0.195 hours/ns 7.113 steps/s 2023-04-07 17:30:26,520 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 143000 28600 50.154 -36230 5496.9 -41727 -41727 1.2465 1.285 0.40021 2.2846e+05 2023-04-07 17:30:28,445 INFO [main.py:643]
{rank 0/100} MD step = 143100 step time: 00:00:00.017900 Performance: 122.903 ns/day 0.195 hours/ns 7.112 steps/s 2023-04-07 17:30:33,418 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 143100 28620 49.482 -36302 5423.3 -41726 -41726 1.2463 1.2832 0.40071 2.2861e+05 2023-04-07 17:30:35,392 INFO [main.py:643]
{rank 0/100} MD step = 143200 step time: 00:00:00.017911 Performance: 122.946 ns/day 0.195 hours/ns 7.115 steps/s 2023-04-07 17:30:39,922 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 143200 28640 50.03 -36239 5483.3 -41723 -41723 1.2486 1.2844 0.40169 2.2878e+05 2023-04-07 17:30:41,829 INFO [main.py:643]
{rank 0/100} MD step = 143300 step time: 00:00:00.018031 Performance: 122.993 ns/day 0.195 hours/ns 7.118 steps/s 2023-04-07 17:30:54,310 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 143300 28660 49.253 -36292 5398.2 -41690 -41690 1.2493 1.286 0.4017 2.2894e+05 2023-04-07 17:30:56,184 INFO [main.py:643]
{rank 0/100} MD step = 143400 step time: 00:00:00.018011 Performance: 122.991 ns/day 0.195 hours/ns 7.118 steps/s 2023-04-07 17:31:13,779 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 143400 28680 50.205 -36240 5502.5 -41743 -41743 1.2519 1.2877 0.40182 2.291e+05 2023-04-07 17:31:15,659 INFO [main.py:643]
{rank 0/100} MD step = 143500 step time: 00:00:00.018048 Performance: 122.958 ns/day 0.195 hours/ns 7.116 steps/s 2023-04-07 17:31:28,301 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 143500 28700 50.471 -36159 5531.7 -41691 -41691 1.2542 1.2875 0.40111 2.2928e+05 2023-04-07 17:31:30,540 INFO [main.py:643]
{rank 0/100} MD step = 143600 step time: 00:00:00.018018 Performance: 122.953 ns/day 0.195 hours/ns 7.115 steps/s 2023-04-07 17:31:39,165 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 143600 28720 50.295 -36194 5512.4 -41707 -41707 1.2553 1.2878 0.40158 2.2942e+05 2023-04-07 17:31:41,037 INFO [main.py:643]
{rank 0/100} MD step = 143700 step time: 00:00:00.018019 Performance: 122.974 ns/day 0.195 hours/ns 7.117 steps/s 2023-04-07 17:31:44,570 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 143700 28740 49.983 -36151 5478.2 -41629 -41629 1.2551 1.2885 0.40237 2.2959e+05 2023-04-07 17:31:46,428 INFO [main.py:643]
{rank 0/100} MD step = 143800 step time: 00:00:00.018021 Performance: 123.027 ns/day 0.195 hours/ns 7.120 steps/s 2023-04-07 17:31:56,829 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 143800 28760 50.298 -36146 5512.8 -41659 -41659 1.257 1.289 0.4036 2.2975e+05 2023-04-07 17:31:58,751 INFO [main.py:643]
{rank 0/100} MD step = 143900 step time: 00:00:00.018073 Performance: 123.037 ns/day 0.195 hours/ns 7.120 steps/s 2023-04-07 17:32:07,166 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 143900 28780 50.071 -36205 5487.8 -41692 -41692 1.2581 1.2905 0.40385 2.2988e+05 2023-04-07 17:32:09,069 INFO [main.py:643]
{rank 0/100} MD step = 144000 step time: 00:00:00.019192 Performance: 123.060 ns/day 0.195 hours/ns 7.122 steps/s 2023-04-07 17:32:26,672 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 144000 28800 49.258 -36254 5398.7 -41653 -41653 1.2601 1.2913 0.40366 2.3004e+05 2023-04-07 17:32:28,851 INFO [main.py:643]
{rank 0/100} MD step = 144100 step time: 00:00:00.018015 Performance: 123.025 ns/day 0.195 hours/ns 7.120 steps/s 2023-04-07 17:32:45,759 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 144100 28820 50.56 -36037 5541.4 -41578 -41578 1.2602 1.2917 0.4058 2.3019e+05 2023-04-07 17:32:47,587 INFO [main.py:643]
{rank 0/100} MD step = 144200 step time: 00:00:00.018020 Performance: 122.997 ns/day 0.195 hours/ns 7.118 steps/s 2023-04-07 17:32:56,988 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 144200 28840 48.912 -36331 5360.8 -41692 -41692 1.2618 1.2926 0.40658 2.3036e+05 2023-04-07 17:32:58,850 INFO [main.py:643]
{rank 0/100} MD step = 144300 step time: 00:00:00.018047 Performance: 123.014 ns/day 0.195 hours/ns 7.119 steps/s 2023-04-07 17:33:11,628 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 144300 28860 50.248 -36282 5507.2 -41789 -41789 1.2639 1.2931 0.40745 2.3053e+05 2023-04-07 17:33:13,506 INFO [main.py:643]
{rank 0/100} MD step = 144400 step time: 00:00:00.017921 Performance: 123.010 ns/day 0.195 hours/ns 7.119 steps/s 2023-04-07 17:33:31,349 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 144400 28880 50.443 -36197 5528.6 -41726 -41726 1.2638 1.2955 0.40792 2.307e+05 2023-04-07 17:33:33,268 INFO [main.py:643]
{rank 0/100} MD step = 144500 step time: 00:00:00.017962 Performance: 122.975 ns/day 0.195 hours/ns 7.117 steps/s 2023-04-07 17:33:34,551 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 144500 28900 50.181 -36279 5499.9 -41778 -41778 1.2641 1.2965 0.4076 2.3085e+05 2023-04-07 17:33:36,482 INFO [main.py:643]
{rank 0/100} MD step = 144600 step time: 00:00:00.018024 Performance: 123.041 ns/day 0.195 hours/ns 7.120 steps/s 2023-04-07 17:33:41,832 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 144600 28920 49.446 -36256 5419.3 -41675 -41675 1.2658 1.2955 0.40976 2.3104e+05 2023-04-07 17:33:43,743 INFO [main.py:643]
{rank 0/100} MD step = 144700 step time: 00:00:00.018031 Performance: 123.082 ns/day 0.195 hours/ns 7.123 steps/s 2023-04-07 17:34:01,500 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 144700 28940 50.672 -36175 5553.8 -41729 -41729 1.2684 1.2963 0.41151 2.3121e+05 2023-04-07 17:34:03,368 INFO [main.py:643]
{rank 0/100} MD step = 144800 step time: 00:00:00.018504 Performance: 123.048 ns/day 0.195 hours/ns 7.121 steps/s 2023-04-07 17:34:07,560 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 144800 28960 50.115 -36205 5492.7 -41698 -41698 1.2692 1.2986 0.41116 2.3137e+05 2023-04-07 17:34:09,466 INFO [main.py:643]
{rank 0/100} MD step = 144900 step time: 00:00:00.017985 Performance: 123.096 ns/day 0.195 hours/ns 7.124 steps/s 2023-04-07 17:34:22,731 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 144900 28980 49.405 -36204 5414.8 -41619 -41619 1.2697 1.2979 0.41041 2.3153e+05 2023-04-07 17:34:24,663 INFO [main.py:643]
{rank 0/100} MD step = 145000 step time: 00:00:00.017895 Performance: 123.089 ns/day 0.195 hours/ns 7.123 steps/s 2023-04-07 17:34:33,314 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 145000 29000 49.837 -36354 5462.2 -41816 -41816 1.2684 1.2989 0.41103 2.3167e+05 2023-04-07 17:34:35,288 INFO [main.py:643]
{rank 0/100} MD step = 145100 step time: 00:00:00.017946 Performance: 123.110 ns/day 0.195 hours/ns 7.124 steps/s 2023-04-07 17:34:44,350 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 145100 29020 50.092 -36094 5490.2 -41584 -41584 1.2715 1.299 0.41061 2.3188e+05 2023-04-07 17:34:46,299 INFO [main.py:643]
{rank 0/100} MD step = 145200 step time: 00:00:00.018476 Performance: 123.128 ns/day 0.195 hours/ns 7.125 steps/s 2023-04-07 17:34:51,391 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 145200 29040 49.922 -36346 5471.5 -41818 -41818 1.272 1.3008 0.41111 2.3201e+05 2023-04-07 17:34:53,204 INFO [main.py:643]
{rank 0/100} MD step = 145300 step time: 00:00:00.018050 Performance: 123.171 ns/day 0.195 hours/ns 7.128 steps/s 2023-04-07 17:34:56,956 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 145300 29060 49.725 -36108 5449.9 -41558 -41558 1.2713 1.3014 0.4108 2.3219e+05 2023-04-07 17:34:58,906 INFO [main.py:643]
{rank 0/100} MD step = 145400 step time: 00:00:00.017990 Performance: 123.222 ns/day 0.195 hours/ns 7.131 steps/s 2023-04-07 17:35:07,675 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 145400 29080 50.127 -36025 5494 -41519 -41519 1.2728 1.3025 0.41051 2.3234e+05 2023-04-07 17:35:09,578 INFO [main.py:643]
{rank 0/100} MD step = 145500 step time: 00:00:00.018012 Performance: 123.242 ns/day 0.195 hours/ns 7.132 steps/s 2023-04-07 17:35:10,596 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 145500 29100 50.117 -36294 5492.9 -41787 -41787 1.274 1.3015 0.41049 2.3248e+05 2023-04-07 17:35:12,590 INFO [main.py:643]
{rank 0/100} MD step = 145600 step time: 00:00:00.018142 Performance: 123.308 ns/day 0.195 hours/ns 7.136 steps/s 2023-04-07 17:35:24,888 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 145600 29120 50.221 -36177 5504.3 -41681 -41681 1.2733 1.3009 0.412 2.3261e+05 2023-04-07 17:35:26,873 INFO [main.py:643]
{rank 0/100} MD step = 145700 step time: 00:00:00.018077 Performance: 123.307 ns/day 0.195 hours/ns 7.136 steps/s 2023-04-07 17:35:35,496 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 145700 29140 50.277 -36022 5510.5 -41533 -41533 1.2745 1.3016 0.4113 2.3281e+05 2023-04-07 17:35:37,948 INFO [main.py:643]
{rank 0/100} MD step = 145800 step time: 00:00:00.018122 Performance: 123.324 ns/day 0.195 hours/ns 7.137 steps/s 2023-04-07 17:35:39,358 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 145800 29160 49.857 -36155 5464.4 -41620 -41620 1.2751 1.3029 0.41118 2.3297e+05 2023-04-07 17:35:41,259 INFO [main.py:643]
{rank 0/100} MD step = 145900 step time: 00:00:00.018207 Performance: 123.389 ns/day 0.195 hours/ns 7.141 steps/s 2023-04-07 17:35:54,816 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 145900 29180 50.331 -36139 5516.3 -41656 -41656 1.2753 1.3033 0.41079 2.3311e+05 2023-04-07 17:35:56,617 INFO [main.py:643]
{rank 0/100} MD step = 146000 step time: 00:00:00.018095 Performance: 123.381 ns/day 0.195 hours/ns 7.140 steps/s 2023-04-07 17:36:10,097 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 146000 29200 50.213 -36131 5503.4 -41634 -41634 1.2738 1.3031 0.41006 2.3328e+05 2023-04-07 17:36:11,948 INFO [main.py:643]
{rank 0/100} MD step = 146100 step time: 00:00:00.017942 Performance: 123.373 ns/day 0.195 hours/ns 7.140 steps/s 2023-04-07 17:36:16,332 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 146100 29220 50.171 -36205 5498.8 -41704 -41704 1.2761 1.304 0.40978 2.3342e+05 2023-04-07 17:36:18,262 INFO [main.py:643]
{rank 0/100} MD step = 146200 step time: 00:00:00.017769 Performance: 123.419 ns/day 0.194 hours/ns 7.142 steps/s 2023-04-07 17:36:35,736 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 146200 29240 50.233 -36233 5505.6 -41738 -41738 1.2772 1.306 0.41135 2.3357e+05 2023-04-07 17:36:37,600 INFO [main.py:643]
{rank 0/100} MD step = 146300 step time: 00:00:00.018390 Performance: 123.387 ns/day 0.195 hours/ns 7.140 steps/s 2023-04-07 17:36:59,291 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 146300 29260 50.678 -36122 5554.3 -41676 -41676 1.2797 1.3071 0.41061 2.3375e+05 2023-04-07 17:37:01,105 INFO [main.py:643]
{rank 0/100} MD step = 146400 step time: 00:00:00.017967 Performance: 123.330 ns/day 0.195 hours/ns 7.137 steps/s 2023-04-07 17:37:05,813 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 146400 29280 49.872 -36220 5466.1 -41686 -41686 1.2808 1.3086 0.41071 2.3389e+05 2023-04-07 17:37:07,823 INFO [main.py:643]
{rank 0/100} MD step = 146500 step time: 00:00:00.018001 Performance: 123.374 ns/day 0.195 hours/ns 7.140 steps/s 2023-04-07 17:37:12,758 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 146500 29300 49.543 -36370 5429.9 -41800 -41800 1.284 1.3087 0.41178 2.3406e+05 2023-04-07 17:37:14,604 INFO [main.py:643]
{rank 0/100} MD step = 146600 step time: 00:00:00.018003 Performance: 123.417 ns/day 0.194 hours/ns 7.142 steps/s 2023-04-07 17:37:22,978 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 146600 29320 49.488 -36192 5423.9 -41616 -41616 1.2874 1.3093 0.41222 2.3425e+05 2023-04-07 17:37:24,958 INFO [main.py:643]
{rank 0/100} MD step = 146700 step time: 00:00:00.018039 Performance: 123.439 ns/day 0.194 hours/ns 7.143 steps/s 2023-04-07 17:37:33,749 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 146700 29340 49.692 -36238 5446.3 -41684 -41684 1.2867 1.31 0.41393 2.3439e+05 2023-04-07 17:37:35,648 INFO [main.py:643]
{rank 0/100} MD step = 146800 step time: 00:00:00.018028 Performance: 123.459 ns/day 0.194 hours/ns 7.145 steps/s 2023-04-07 17:37:40,788 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 146800 29360 49.946 -36123 5474.1 -41597 -41597 1.2883 1.3096 0.4154 2.3456e+05 2023-04-07 17:37:42,632 INFO [main.py:643]
{rank 0/100} MD step = 146900 step time: 00:00:00.018223 Performance: 123.501 ns/day 0.194 hours/ns 7.147 steps/s 2023-04-07 17:37:47,243 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 146900 29380 49.771 -36217 5455 -41672 -41672 1.2915 1.3089 0.41541 2.3469e+05 2023-04-07 17:37:49,095 INFO [main.py:643]
{rank 0/100} MD step = 147000 step time: 00:00:00.018145 Performance: 123.546 ns/day 0.194 hours/ns 7.150 steps/s 2023-04-07 17:37:53,373 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 147000 29400 50.387 -36160 5522.5 -41682 -41682 1.2914 1.3107 0.41542 2.3483e+05 2023-04-07 17:37:58,710 INFO [main.py:643]
{rank 0/100} MD step = 147100 step time: 00:00:00.018059 Performance: 123.573 ns/day 0.194 hours/ns 7.151 steps/s 2023-04-07 17:38:23,949 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 147100 29420 50.134 -36133 5494.8 -41628 -41628 1.2948 1.3118 0.41452 2.35e+05 2023-04-07 17:38:25,784 INFO [main.py:643]
{rank 0/100} MD step = 147200 step time: 00:00:00.017920 Performance: 123.494 ns/day 0.194 hours/ns 7.147 steps/s 2023-04-07 17:38:42,616 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 147200 29440 49.715 -36382 5448.8 -41831 -41831 1.2963 1.3118 0.41614 2.3514e+05 2023-04-07 17:38:44,537 INFO [main.py:643]
{rank 0/100} MD step = 147300 step time: 00:00:00.017972 Performance: 123.466 ns/day 0.194 hours/ns 7.145 steps/s 2023-04-07 17:38:46,694 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 147300 29460 50.403 -36224 5524.2 -41749 -41749 1.299 1.313 0.41703 2.3531e+05 2023-04-07 17:38:49,035 INFO [main.py:643]
{rank 0/100} MD step = 147400 step time: 00:00:00.017993 Performance: 123.522 ns/day 0.194 hours/ns 7.148 steps/s 2023-04-07 17:39:14,473 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 147400 29480 49.403 -36388 5414.6 -41802 -41802 1.2976 1.3153 0.41774 2.3547e+05 2023-04-07 17:39:16,463 INFO [main.py:643]
{rank 0/100} MD step = 147500 step time: 00:00:00.017930 Performance: 123.442 ns/day 0.194 hours/ns 7.144 steps/s 2023-04-07 17:39:38,793 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 147500 29500 50.545 -36190 5539.8 -41730 -41730 1.2989 1.3154 0.41713 2.3563e+05 2023-04-07 17:39:40,689 INFO [main.py:643]
{rank 0/100} MD step = 147600 step time: 00:00:00.018111 Performance: 123.381 ns/day 0.195 hours/ns 7.140 steps/s 2023-04-07 17:39:41,762 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 147600 29520 51.109 -36129 5601.7 -41731 -41731 1.2999 1.3155 0.41865 2.3582e+05 2023-04-07 17:39:43,671 INFO [main.py:643]
{rank 0/100} MD step = 147700 step time: 00:00:00.018184 Performance: 123.447 ns/day 0.194 hours/ns 7.144 steps/s 2023-04-07 17:39:55,376 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 147700 29540 48.841 -36346 5353 -41699 -41699 1.2999 1.3154 0.41881 2.3597e+05 2023-04-07 17:39:57,296 INFO [main.py:643]
{rank 0/100} MD step = 147800 step time: 00:00:00.017944 Performance: 123.449 ns/day 0.194 hours/ns 7.144 steps/s 2023-04-07 17:40:06,713 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 147800 29560 49.71 -36288 5448.3 -41736 -41736 1.3012 1.3171 0.42111 2.3613e+05 2023-04-07 17:40:08,691 INFO [main.py:643]
{rank 0/100} MD step = 147900 step time: 00:00:00.017959 Performance: 123.464 ns/day 0.194 hours/ns 7.145 steps/s 2023-04-07 17:40:15,256 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 147900 29580 50.495 -36193 5534.4 -41727 -41727 1.3031 1.3189 0.4213 2.3629e+05 2023-04-07 17:40:17,323 INFO [main.py:643]
{rank 0/100} MD step = 148000 step time: 00:00:00.018130 Performance: 123.496 ns/day 0.194 hours/ns 7.147 steps/s 2023-04-07 17:40:25,960 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 148000 29600 48.816 -36386 5350.3 -41736 -41736 1.3039 1.32 0.42101 2.3645e+05 2023-04-07 17:40:27,885 INFO [main.py:643]
{rank 0/100} MD step = 148100 step time: 00:00:00.020912 Performance: 123.517 ns/day 0.194 hours/ns 7.148 steps/s 2023-04-07 17:40:29,127 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 148100 29620 49.922 -36318 5471.5 -41790 -41790 1.3001 1.3214 0.42209 2.366e+05 2023-04-07 17:40:30,977 INFO [main.py:643]
{rank 0/100} MD step = 148200 step time: 00:00:00.017973 Performance: 123.582 ns/day 0.194 hours/ns 7.152 steps/s 2023-04-07 17:40:51,037 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 148200 29640 50.197 -36145 5501.6 -41647 -41647 1.2994 1.3206 0.4234 2.3675e+05 2023-04-07 17:40:52,918 INFO [main.py:643]
{rank 0/100} MD step = 148300 step time: 00:00:00.017917 Performance: 123.534 ns/day 0.194 hours/ns 7.149 steps/s 2023-04-07 17:41:07,126 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 148300 29660 50.173 -36274 5499 -41773 -41773 1.2985 1.3216 0.4249 2.3692e+05 2023-04-07 17:41:09,132 INFO [main.py:643]
{rank 0/100} MD step = 148400 step time: 00:00:00.017983 Performance: 123.521 ns/day 0.194 hours/ns 7.148 steps/s 2023-04-07 17:41:12,628 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 148400 29680 49.637 -36182 5440.3 -41622 -41622 1.3019 1.3217 0.42533 2.3708e+05 2023-04-07 17:41:14,614 INFO [main.py:643]
{rank 0/100} MD step = 148500 step time: 00:00:00.018259 Performance: 123.572 ns/day 0.194 hours/ns 7.151 steps/s 2023-04-07 17:41:27,704 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 148500 29700 50.199 -36228 5501.9 -41730 -41730 1.3039 1.3212 0.42423 2.372e+05 2023-04-07 17:41:29,720 INFO [main.py:643]
{rank 0/100} MD step = 148600 step time: 00:00:00.017926 Performance: 123.565 ns/day 0.194 hours/ns 7.151 steps/s 2023-04-07 17:41:38,614 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 148600 29720 49.742 -36170 5451.8 -41622 -41622 1.3041 1.3204 0.42496 2.3737e+05 2023-04-07 17:41:40,632 INFO [main.py:643]
{rank 0/100} MD step = 148700 step time: 00:00:00.018316 Performance: 123.583 ns/day 0.194 hours/ns 7.152 steps/s 2023-04-07 17:41:53,786 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 148700 29740 50.275 -36191 5510.2 -41701 -41701 1.3049 1.3223 0.42566 2.3753e+05 2023-04-07 17:41:55,681 INFO [main.py:643]
{rank 0/100} MD step = 148800 step time: 00:00:00.017988 Performance: 123.577 ns/day 0.194 hours/ns 7.151 steps/s 2023-04-07 17:42:04,999 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 148800 29760 50.634 -36146 5549.6 -41695 -41695 1.3069 1.3229 0.42615 2.3766e+05 2023-04-07 17:42:06,887 INFO [main.py:643]
{rank 0/100} MD step = 148900 step time: 00:00:00.017962 Performance: 123.594 ns/day 0.194 hours/ns 7.152 steps/s 2023-04-07 17:42:15,702 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 148900 29780 50.534 -36199 5538.6 -41738 -41738 1.3067 1.3235 0.42543 2.3781e+05 2023-04-07 17:42:17,648 INFO [main.py:643]
{rank 0/100} MD step = 149000 step time: 00:00:00.018035 Performance: 123.613 ns/day 0.194 hours/ns 7.154 steps/s 2023-04-07 17:42:34,968 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 149000 29800 49.794 -36255 5457.5 -41713 -41713 1.308 1.3239 0.42652 2.3798e+05 2023-04-07 17:42:36,879 INFO [main.py:643]
{rank 0/100} MD step = 149100 step time: 00:00:00.018008 Performance: 123.582 ns/day 0.194 hours/ns 7.152 steps/s 2023-04-07 17:43:02,814 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 149100 29820 50.141 -36173 5495.6 -41669 -41669 1.309 1.324 0.42523 2.3813e+05 2023-04-07 17:43:04,633 INFO [main.py:643]
{rank 0/100} MD step = 149200 step time: 00:00:00.017985 Performance: 123.500 ns/day 0.194 hours/ns 7.147 steps/s 2023-04-07 17:43:34,466 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 149200 29840 49.608 -36310 5437.1 -41747 -41747 1.3088 1.3241 0.42586 2.3824e+05 2023-04-07 17:43:41,175 INFO [main.py:643]
{rank 0/100} MD step = 149300 step time: 00:00:00.017969 Performance: 123.367 ns/day 0.195 hours/ns 7.139 steps/s 2023-04-07 17:44:15,436 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 149300 29860 49.834 -36301 5461.9 -41762 -41762 1.3106 1.3245 0.42518 2.3842e+05 2023-04-07 17:44:17,286 INFO [main.py:643]
{rank 0/100} MD step = 149400 step time: 00:00:00.017956 Performance: 123.237 ns/day 0.195 hours/ns 7.132 steps/s 2023-04-07 17:44:30,839 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 149400 29880 50.251 -36080 5507.5 -41588 -41588 1.3132 1.3268 0.4254 2.3859e+05 2023-04-07 17:44:32,712 INFO [main.py:643]
{rank 0/100} MD step = 149500 step time: 00:00:00.018095 Performance: 123.228 ns/day 0.195 hours/ns 7.131 steps/s 2023-04-07 17:44:49,467 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 149500 29900 50.327 -36121 5515.9 -41636 -41636 1.315 1.3269 0.42652 2.3875e+05 2023-04-07 17:44:55,439 INFO [main.py:643]
{rank 0/100} MD step = 149600 step time: 00:00:00.018240 Performance: 123.177 ns/day 0.195 hours/ns 7.128 steps/s 2023-04-07 17:45:19,627 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 149600 29920 49.972 -36202 5477 -41679 -41679 1.3154 1.329 0.42665 2.3889e+05 2023-04-07 17:45:21,469 INFO [main.py:643]
{rank 0/100} MD step = 149700 step time: 00:00:00.019835 Performance: 123.107 ns/day 0.195 hours/ns 7.124 steps/s 2023-04-07 17:45:34,675 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 149700 29940 50.014 -36236 5481.6 -41718 -41718 1.3147 1.3301 0.42657 2.3906e+05 2023-04-07 17:45:36,531 INFO [main.py:643]
{rank 0/100} MD step = 149800 step time: 00:00:00.018056 Performance: 123.101 ns/day 0.195 hours/ns 7.124 steps/s 2023-04-07 17:46:06,813 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 149800 29960 49.809 -36288 5459.1 -41747 -41747 1.3149 1.3299 0.42399 2.3922e+05 2023-04-07 17:46:08,793 INFO [main.py:643]
{rank 0/100} MD step = 149900 step time: 00:00:00.017995 Performance: 122.994 ns/day 0.195 hours/ns 7.118 steps/s 2023-04-07 17:46:13,953 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 149900 29980 50.982 -36109 5587.7 -41697 -41697 1.3166 1.3305 0.42305 2.3939e+05 2023-04-07 17:46:15,854 INFO [main.py:643]
{rank 0/100} MD step = 150000 step time: 00:00:00.017824 Performance: 123.035 ns/day 0.195 hours/ns 7.120 steps/s 2023-04-07 17:46:19,701 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 150000 30000 49.811 -36256 5459.3 -41715 -41715 1.3195 1.3305 0.42286 2.3956e+05 2023-04-07 17:46:26,194 INFO [main.py:643]
{rank 0/100} MD step = 150100 step time: 00:00:00.017846 Performance: 123.057 ns/day 0.195 hours/ns 7.121 steps/s 2023-04-07 17:46:27,260 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 150100 30020 50.326 -36153 5515.8 -41668 -41668 1.321 1.3316 0.42474 2.3975e+05 2023-04-07 17:46:29,155 INFO [main.py:643]
{rank 0/100} MD step = 150200 step time: 00:00:00.018066 Performance: 123.122 ns/day 0.195 hours/ns 7.125 steps/s 2023-04-07 17:46:32,922 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 150200 30040 50.171 -36246 5498.8 -41745 -41745 1.3236 1.3326 0.42344 2.399e+05 2023-04-07 17:46:34,791 INFO [main.py:643]
{rank 0/100} MD step = 150300 step time: 00:00:00.017942 Performance: 123.171 ns/day 0.195 hours/ns 7.128 steps/s 2023-04-07 17:46:43,599 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 150300 30060 49.957 -36200 5475.3 -41676 -41676 1.3246 1.3323 0.42431 2.4008e+05 2023-04-07 17:46:45,628 INFO [main.py:643]
{rank 0/100} MD step = 150400 step time: 00:00:00.017910 Performance: 123.189 ns/day 0.195 hours/ns 7.129 steps/s 2023-04-07 17:46:58,888 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 150400 30080 49.069 -36270 5378 -41648 -41648 1.3253 1.3338 0.42429 2.4021e+05 2023-04-07 17:47:00,733 INFO [main.py:643]
{rank 0/100} MD step = 150500 step time: 00:00:00.017897 Performance: 123.183 ns/day 0.195 hours/ns 7.129 steps/s 2023-04-07 17:47:18,217 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 150500 30100 49.689 -36238 5446 -41684 -41684 1.3262 1.3354 0.42545 2.4038e+05 2023-04-07 17:47:20,074 INFO [main.py:643]
{rank 0/100} MD step = 150600 step time: 00:00:00.017928 Performance: 123.152 ns/day 0.195 hours/ns 7.127 steps/s 2023-04-07 17:47:33,070 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 150600 30120 49.639 -36293 5440.5 -41733 -41733 1.3269 1.3357 0.42627 2.4054e+05 2023-04-07 17:47:35,086 INFO [main.py:643]
{rank 0/100} MD step = 150700 step time: 00:00:00.017932 Performance: 123.146 ns/day 0.195 hours/ns 7.127 steps/s 2023-04-07 17:47:47,887 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 150700 30140 49.676 -36190 5444.5 -41635 -41635 1.3282 1.3367 0.4283 2.4069e+05 2023-04-07 17:47:50,447 INFO [main.py:643]
{rank 0/100} MD step = 150800 step time: 00:00:00.017961 Performance: 123.138 ns/day 0.195 hours/ns 7.126 steps/s 2023-04-07 17:47:56,990 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 150800 30160 50.061 -36253 5486.7 -41740 -41740 1.3311 1.3371 0.42925 2.4084e+05 2023-04-07 17:47:58,851 INFO [main.py:643]
{rank 0/100} MD step = 150900 step time: 00:00:00.018142 Performance: 123.171 ns/day 0.195 hours/ns 7.128 steps/s 2023-04-07 17:48:03,235 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 150900 30180 50.27 -36174 5509.6 -41683 -41683 1.3332 1.3386 0.43111 2.41e+05 2023-04-07 17:48:05,148 INFO [main.py:643]
{rank 0/100} MD step = 151000 step time: 00:00:00.018065 Performance: 123.216 ns/day 0.195 hours/ns 7.131 steps/s 2023-04-07 17:48:24,299 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 151000 30200 50.608 -36176 5546.7 -41723 -41723 1.3318 1.3396 0.43025 2.4114e+05 2023-04-07 17:48:26,281 INFO [main.py:643]
{rank 0/100} MD step = 151100 step time: 00:00:00.017937 Performance: 123.175 ns/day 0.195 hours/ns 7.128 steps/s 2023-04-07 17:48:39,358 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 151100 30220 49.631 -36282 5439.6 -41722 -41722 1.3337 1.34 0.43109 2.4131e+05 2023-04-07 17:48:41,170 INFO [main.py:643]
{rank 0/100} MD step = 151200 step time: 00:00:00.017962 Performance: 123.170 ns/day 0.195 hours/ns 7.128 steps/s 2023-04-07 17:48:50,884 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 151200 30240 48.894 -36170 5358.8 -41529 -41529 1.3352 1.34 0.43039 2.415e+05 2023-04-07 17:48:52,733 INFO [main.py:643]
{rank 0/100} MD step = 151300 step time: 00:00:00.018678 Performance: 123.184 ns/day 0.195 hours/ns 7.129 steps/s 2023-04-07 17:49:13,690 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 151300 30260 50.291 -36215 5511.9 -41727 -41727 1.3355 1.3411 0.42903 2.416e+05 2023-04-07 17:49:15,614 INFO [main.py:643]
{rank 0/100} MD step = 151400 step time: 00:00:00.017998 Performance: 123.133 ns/day 0.195 hours/ns 7.126 steps/s 2023-04-07 17:49:24,661 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 151400 30280 50.759 -36155 5563.3 -41719 -41719 1.3334 1.3405 0.42921 2.4179e+05 2023-04-07 17:49:26,507 INFO [main.py:643]
{rank 0/100} MD step = 151500 step time: 00:00:00.017850 Performance: 123.151 ns/day 0.195 hours/ns 7.127 steps/s 2023-04-07 17:49:39,480 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 151500 30300 49.64 -36188 5440.6 -41628 -41628 1.3359 1.3406 0.42841 2.4197e+05 2023-04-07 17:49:41,453 INFO [main.py:643]
{rank 0/100} MD step = 151600 step time: 00:00:00.018001 Performance: 123.146 ns/day 0.195 hours/ns 7.126 steps/s 2023-04-07 17:49:46,085 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 151600 30320 49.906 -36340 5469.7 -41810 -41810 1.3381 1.3408 0.42845 2.4209e+05 2023-04-07 17:49:47,981 INFO [main.py:643]
{rank 0/100} MD step = 151700 step time: 00:00:00.018107 Performance: 123.189 ns/day 0.195 hours/ns 7.129 steps/s 2023-04-07 17:50:09,447 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 151700 30340 50.431 -36153 5527.2 -41680 -41680 1.3386 1.3431 0.42761 2.4227e+05 2023-04-07 17:50:11,248 INFO [main.py:643]
{rank 0/100} MD step = 151800 step time: 00:00:00.018327 Performance: 123.136 ns/day 0.195 hours/ns 7.126 steps/s 2023-04-07 17:50:21,384 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 151800 30360 49.775 -36264 5455.4 -41719 -41719 1.3432 1.3452 0.42868 2.4241e+05 2023-04-07 17:50:23,724 INFO [main.py:643]
{rank 0/100} MD step = 151900 step time: 00:00:00.017921 Performance: 123.145 ns/day 0.195 hours/ns 7.126 steps/s 2023-04-07 17:50:50,673 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 151900 30380 50.006 -36214 5480.7 -41695 -41695 1.3447 1.3463 0.43033 2.4259e+05 2023-04-07 17:50:52,534 INFO [main.py:643]
{rank 0/100} MD step = 152000 step time: 00:00:00.018025 Performance: 123.060 ns/day 0.195 hours/ns 7.121 steps/s 2023-04-07 17:50:53,752 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 152000 30400 50.095 -36185 5490.5 -41675 -41675 1.3426 1.3461 0.43202 2.4275e+05 2023-04-07 17:50:55,650 INFO [main.py:643]
{rank 0/100} MD step = 152100 step time: 00:00:00.018050 Performance: 123.122 ns/day 0.195 hours/ns 7.125 steps/s 2023-04-07 17:51:11,779 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 152100 30420 50.474 -36163 5532 -41695 -41695 1.3439 1.3467 0.43296 2.4287e+05 2023-04-07 17:51:13,745 INFO [main.py:643]
{rank 0/100} MD step = 152200 step time: 00:00:00.018048 Performance: 123.099 ns/day 0.195 hours/ns 7.124 steps/s 2023-04-07 17:51:18,295 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 152200 30440 50.019 -36214 5482.2 -41696 -41696 1.3452 1.3485 0.43456 2.4304e+05 2023-04-07 17:51:20,297 INFO [main.py:643]
{rank 0/100} MD step = 152300 step time: 00:00:00.017975 Performance: 123.142 ns/day 0.195 hours/ns 7.126 steps/s 2023-04-07 17:51:21,440 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 152300 30460 49.948 -36249 5474.4 -41724 -41724 1.3474 1.3494 0.43456 2.4321e+05 2023-04-07 17:51:23,371 INFO [main.py:643]
{rank 0/100} MD step = 152400 step time: 00:00:00.017844 Performance: 123.205 ns/day 0.195 hours/ns 7.130 steps/s 2023-04-07 17:51:32,358 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 152400 30480 49.69 -36195 5446.1 -41641 -41641 1.3458 1.3521 0.43646 2.4337e+05 2023-04-07 17:51:34,268 INFO [main.py:643]
{rank 0/100} MD step = 152500 step time: 00:00:00.017949 Performance: 123.223 ns/day 0.195 hours/ns 7.131 steps/s 2023-04-07 17:51:50,502 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 152500 30500 49.948 -36150 5474.4 -41624 -41624 1.3446 1.3529 0.43513 2.4353e+05 2023-04-07 17:51:52,830 INFO [main.py:643]
{rank 0/100} MD step = 152600 step time: 00:00:00.018093 Performance: 123.197 ns/day 0.195 hours/ns 7.129 steps/s 2023-04-07 17:52:01,265 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 152600 30520 49.583 -36205 5434.3 -41639 -41639 1.3444 1.354 0.43594 2.437e+05 2023-04-07 17:52:03,099 INFO [main.py:643]
{rank 0/100} MD step = 152700 step time: 00:00:00.017976 Performance: 123.219 ns/day 0.195 hours/ns 7.131 steps/s 2023-04-07 17:52:16,127 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 152700 30540 50.466 -36269 5531.2 -41800 -41800 1.3474 1.3545 0.43561 2.4382e+05 2023-04-07 17:52:17,986 INFO [main.py:643]
{rank 0/100} MD step = 152800 step time: 00:00:00.018037 Performance: 123.214 ns/day 0.195 hours/ns 7.130 steps/s 2023-04-07 17:52:22,644 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 152800 30560 49.424 -36315 5417 -41732 -41732 1.3478 1.355 0.43801 2.4401e+05 2023-04-07 17:52:24,509 INFO [main.py:643]
{rank 0/100} MD step = 152900 step time: 00:00:00.017921 Performance: 123.257 ns/day 0.195 hours/ns 7.133 steps/s 2023-04-07 17:52:29,452 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 152900 30580 50.412 -36152 5525.3 -41677 -41677 1.3506 1.3538 0.43797 2.4418e+05 2023-04-07 17:52:31,377 INFO [main.py:643]
{rank 0/100} MD step = 153000 step time: 00:00:00.017796 Performance: 123.298 ns/day 0.195 hours/ns 7.135 steps/s 2023-04-07 17:52:40,208 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 153000 30600 50.444 -36223 5528.7 -41752 -41752 1.3522 1.3549 0.43882 2.4435e+05 2023-04-07 17:52:42,016 INFO [main.py:643]
{rank 0/100} MD step = 153100 step time: 00:00:00.017980 Performance: 123.318 ns/day 0.195 hours/ns 7.136 steps/s 2023-04-07 17:52:50,972 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 153100 30620 50.395 -36151 5523.4 -41674 -41674 1.3506 1.356 0.44016 2.4449e+05 2023-04-07 17:52:52,859 INFO [main.py:643]
{rank 0/100} MD step = 153200 step time: 00:00:00.017993 Performance: 123.336 ns/day 0.195 hours/ns 7.137 steps/s 2023-04-07 17:52:54,013 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 153200 30640 50.742 -36201 5561.3 -41762 -41762 1.3526 1.3556 0.44134 2.4465e+05 2023-04-07 17:52:55,940 INFO [main.py:643]
{rank 0/100} MD step = 153300 step time: 00:00:00.018085 Performance: 123.399 ns/day 0.194 hours/ns 7.141 steps/s 2023-04-07 17:53:11,996 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 153300 30660 49.728 -36256 5450.3 -41706 -41706 1.3527 1.3569 0.44195 2.4482e+05 2023-04-07 17:53:13,860 INFO [main.py:643]
{rank 0/100} MD step = 153400 step time: 00:00:00.018004 Performance: 123.376 ns/day 0.195 hours/ns 7.140 steps/s 2023-04-07 17:53:19,016 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 153400 30680 50.234 -36171 5505.7 -41677 -41677 1.3559 1.3567 0.44335 2.4499e+05 2023-04-07 17:53:20,923 INFO [main.py:643]
{rank 0/100} MD step = 153500 step time: 00:00:00.018094 Performance: 123.416 ns/day 0.194 hours/ns 7.142 steps/s 2023-04-07 17:53:30,568 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 153500 30700 50.108 -36216 5491.9 -41708 -41708 1.3573 1.3579 0.4431 2.4514e+05 2023-04-07 17:53:32,381 INFO [main.py:643]
{rank 0/100} MD step = 153600 step time: 00:00:00.019122 Performance: 123.430 ns/day 0.194 hours/ns 7.143 steps/s 2023-04-07 17:53:48,695 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 153600 30720 49.872 -36259 5466 -41725 -41725 1.3598 1.3587 0.44408 2.4533e+05 2023-04-07 17:53:50,530 INFO [main.py:643]
{rank 0/100} MD step = 153700 step time: 00:00:00.018026 Performance: 123.407 ns/day 0.194 hours/ns 7.142 steps/s 2023-04-07 17:53:59,297 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 153700 30740 50.148 -36313 5496.3 -41810 -41810 1.3606 1.3586 0.4449 2.4546e+05 2023-04-07 17:54:01,600 INFO [main.py:643]
{rank 0/100} MD step = 153800 step time: 00:00:00.017861 Performance: 123.423 ns/day 0.194 hours/ns 7.143 steps/s 2023-04-07 17:54:18,692 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 153800 30760 49.375 -36202 5411.6 -41614 -41614 1.3625 1.3586 0.44543 2.4568e+05 2023-04-07 17:54:20,613 INFO [main.py:643]
{rank 0/100} MD step = 153900 step time: 00:00:00.017981 Performance: 123.395 ns/day 0.194 hours/ns 7.141 steps/s 2023-04-07 17:54:42,310 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 153900 30780 49.355 -36174 5409.4 -41583 -41583 1.3642 1.3619 0.44626 2.4587e+05 2023-04-07 17:54:44,242 INFO [main.py:643]
{rank 0/100} MD step = 154000 step time: 00:00:00.017897 Performance: 123.340 ns/day 0.195 hours/ns 7.138 steps/s 2023-04-07 17:54:49,487 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 154000 30800 49.859 -36310 5464.6 -41775 -41775 1.3664 1.3622 0.44765 2.4598e+05 2023-04-07 17:54:51,324 INFO [main.py:643]
{rank 0/100} MD step = 154100 step time: 00:00:00.017939 Performance: 123.379 ns/day 0.195 hours/ns 7.140 steps/s 2023-04-07 17:54:56,738 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 154100 30820 50.704 -36129 5557.2 -41686 -41686 1.3707 1.3631 0.44681 2.4614e+05 2023-04-07 17:54:58,598 INFO [main.py:643]
{rank 0/100} MD step = 154200 step time: 00:00:00.017995 Performance: 123.418 ns/day 0.194 hours/ns 7.142 steps/s 2023-04-07 17:55:19,346 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 154200 30840 49.672 -36158 5444.2 -41603 -41603 1.3724 1.362 0.4474 2.4632e+05 2023-04-07 17:55:21,230 INFO [main.py:643]
{rank 0/100} MD step = 154300 step time: 00:00:00.018123 Performance: 123.369 ns/day 0.195 hours/ns 7.139 steps/s 2023-04-07 17:55:42,759 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 154300 30860 48.977 -36269 5368 -41637 -41637 1.3726 1.3637 0.44889 2.4646e+05 2023-04-07 17:55:44,600 INFO [main.py:643]
{rank 0/100} MD step = 154400 step time: 00:00:00.017796 Performance: 123.315 ns/day 0.195 hours/ns 7.136 steps/s 2023-04-07 17:55:49,032 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 154400 30880 50.246 -36214 5507 -41721 -41721 1.3738 1.3619 0.44769 2.4664e+05 2023-04-07 17:55:50,860 INFO [main.py:643]
{rank 0/100} MD step = 154500 step time: 00:00:00.018041 Performance: 123.359 ns/day 0.195 hours/ns 7.139 steps/s 2023-04-07 17:55:51,935 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 154500 30900 50.462 -36168 5530.7 -41699 -41699 1.3757 1.3633 0.44802 2.4678e+05 2023-04-07 17:55:53,918 INFO [main.py:643]
{rank 0/100} MD step = 154600 step time: 00:00:00.017864 Performance: 123.422 ns/day 0.194 hours/ns 7.142 steps/s 2023-04-07 17:56:02,116 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 154600 30920 51.05 -36035 5595.2 -41630 -41630 1.376 1.3659 0.44913 2.4696e+05 2023-04-07 17:56:04,083 INFO [main.py:643]
{rank 0/100} MD step = 154700 step time: 00:00:00.017898 Performance: 123.444 ns/day 0.194 hours/ns 7.144 steps/s 2023-04-07 17:56:25,612 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 154700 30940 50.029 -36214 5483.2 -41697 -41697 1.3794 1.3673 0.45133 2.4709e+05 2023-04-07 17:56:27,525 INFO [main.py:643]
{rank 0/100} MD step = 154800 step time: 00:00:00.018008 Performance: 123.390 ns/day 0.195 hours/ns 7.141 steps/s 2023-04-07 17:56:40,264 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 154800 30960 49.907 -36268 5469.9 -41738 -41738 1.3792 1.3678 0.45236 2.4729e+05 2023-04-07 17:56:46,396 INFO [main.py:643]
{rank 0/100} MD step = 154900 step time: 00:00:00.018119 Performance: 123.362 ns/day 0.195 hours/ns 7.139 steps/s 2023-04-07 17:56:59,891 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 154900 30980 50.344 -36125 5517.7 -41643 -41643 1.3816 1.369 0.45562 2.4744e+05 2023-04-07 17:57:01,715 INFO [main.py:643]
{rank 0/100} MD step = 155000 step time: 00:00:00.018031 Performance: 123.355 ns/day 0.195 hours/ns 7.139 steps/s 2023-04-07 17:57:23,428 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 155000 31000 50.293 -36202 5512.2 -41714 -41714 1.382 1.3705 0.45504 2.476e+05 2023-04-07 17:57:25,268 INFO [main.py:643]
{rank 0/100} MD step = 155100 step time: 00:00:00.018354 Performance: 123.300 ns/day 0.195 hours/ns 7.135 steps/s 2023-04-07 17:57:43,083 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 155100 31020 50.331 -36198 5516.3 -41715 -41715 1.3836 1.3712 0.45572 2.4778e+05 2023-04-07 17:57:44,945 INFO [main.py:643]
{rank 0/100} MD step = 155200 step time: 00:00:00.018127 Performance: 123.268 ns/day 0.195 hours/ns 7.134 steps/s 2023-04-07 17:57:51,313 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 155200 31040 50.294 -36129 5512.3 -41642 -41642 1.3836 1.3718 0.45706 2.4797e+05 2023-04-07 17:58:01,671 INFO [main.py:643]
{rank 0/100} MD step = 155300 step time: 00:00:00.017999 Performance: 123.253 ns/day 0.195 hours/ns 7.133 steps/s 2023-04-07 17:58:02,828 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 155300 31060 50.008 -36211 5481 -41692 -41692 1.3842 1.3724 0.45907 2.4811e+05 2023-04-07 17:58:04,732 INFO [main.py:643]
{rank 0/100} MD step = 155400 step time: 00:00:00.017914 Performance: 123.315 ns/day 0.195 hours/ns 7.136 steps/s 2023-04-07 17:58:13,030 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 155400 31080 50.656 -36152 5551.9 -41704 -41704 1.383 1.3735 0.4597 2.4828e+05 2023-04-07 17:58:14,841 INFO [main.py:643]
{rank 0/100} MD step = 155500 step time: 00:00:00.020374 Performance: 123.337 ns/day 0.195 hours/ns 7.138 steps/s 2023-04-07 17:58:32,123 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 155500 31100 49.82 -36273 5460.3 -41733 -41733 1.3849 1.3745 0.45825 2.4844e+05 2023-04-07 17:58:34,018 INFO [main.py:643]
{rank 0/100} MD step = 155600 step time: 00:00:00.017864 Performance: 123.308 ns/day 0.195 hours/ns 7.136 steps/s 2023-04-07 17:58:39,224 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 155600 31120 49.702 -36254 5447.4 -41701 -41701 1.3866 1.3747 0.45785 2.4862e+05 2023-04-07 17:58:41,088 INFO [main.py:643]
{rank 0/100} MD step = 155700 step time: 00:00:00.017858 Performance: 123.347 ns/day 0.195 hours/ns 7.138 steps/s 2023-04-07 17:58:49,528 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 155700 31140 50.381 -36147 5521.8 -41668 -41668 1.3876 1.3759 0.45978 2.4877e+05 2023-04-07 17:58:51,392 INFO [main.py:643]
{rank 0/100} MD step = 155800 step time: 00:00:00.018045 Performance: 123.368 ns/day 0.195 hours/ns 7.139 steps/s 2023-04-07 17:59:04,524 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 155800 31160 50.575 -36149 5543.1 -41693 -41693 1.3889 1.3761 0.45918 2.489e+05 2023-04-07 17:59:06,421 INFO [main.py:643]
{rank 0/100} MD step = 155900 step time: 00:00:00.017988 Performance: 123.362 ns/day 0.195 hours/ns 7.139 steps/s 2023-04-07 17:59:28,000 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 155900 31180 50.191 -36197 5501 -41698 -41698 1.3904 1.3752 0.4585 2.4907e+05 2023-04-07 17:59:29,803 INFO [main.py:643]
{rank 0/100} MD step = 156000 step time: 00:00:00.018371 Performance: 123.309 ns/day 0.195 hours/ns 7.136 steps/s 2023-04-07 17:59:47,353 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 156000 31200 50.169 -36300 5498.6 -41799 -41799 1.3928 1.3775 0.45798 2.4922e+05 2023-04-07 17:59:49,175 INFO [main.py:643]
{rank 0/100} MD step = 156100 step time: 00:00:00.017923 Performance: 123.279 ns/day 0.195 hours/ns 7.134 steps/s 2023-04-07 18:00:15,196 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 156100 31220 50.007 -36210 5480.8 -41691 -41691 1.3929 1.3788 0.45726 2.494e+05 2023-04-07 18:00:17,061 INFO [main.py:643]
{rank 0/100} MD step = 156200 step time: 00:00:00.018039 Performance: 123.201 ns/day 0.195 hours/ns 7.130 steps/s 2023-04-07 18:00:26,233 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 156200 31240 50.206 -36294 5502.7 -41796 -41796 1.3965 1.3808 0.45704 2.4953e+05 2023-04-07 18:00:28,195 INFO [main.py:643]
{rank 0/100} MD step = 156300 step time: 00:00:00.018024 Performance: 123.218 ns/day 0.195 hours/ns 7.131 steps/s 2023-04-07 18:00:41,269 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 156300 31260 49.147 -36372 5386.6 -41759 -41759 1.3973 1.3818 0.45707 2.4968e+05 2023-04-07 18:00:43,060 INFO [main.py:643]
{rank 0/100} MD step = 156400 step time: 00:00:00.018238 Performance: 123.213 ns/day 0.195 hours/ns 7.130 steps/s 2023-04-07 18:00:44,472 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 156400 31280 50.005 -36188 5480.6 -41668 -41668 1.3977 1.3827 0.45726 2.4987e+05 2023-04-07 18:00:46,485 INFO [main.py:643]
{rank 0/100} MD step = 156500 step time: 00:00:00.017917 Performance: 123.272 ns/day 0.195 hours/ns 7.134 steps/s 2023-04-07 18:01:03,053 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 156500 31300 49.892 -36296 5468.3 -41764 -41764 1.3983 1.3825 0.45773 2.5e+05 2023-04-07 18:01:04,907 INFO [main.py:643]
{rank 0/100} MD step = 156600 step time: 00:00:00.018167 Performance: 123.248 ns/day 0.195 hours/ns 7.132 steps/s 2023-04-07 18:01:17,511 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 156600 31320 49.973 -36141 5477.1 -41618 -41618 1.399 1.385 0.45804 2.502e+05 2023-04-07 18:01:19,427 INFO [main.py:643]
{rank 0/100} MD step = 156700 step time: 00:00:00.017945 Performance: 123.245 ns/day 0.195 hours/ns 7.132 steps/s 2023-04-07 18:01:28,087 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 156700 31340 49.839 -36256 5462.4 -41719 -41719 1.3992 1.3865 0.45648 2.5035e+05 2023-04-07 18:01:30,306 INFO [main.py:643]
{rank 0/100} MD step = 156800 step time: 00:00:00.018034 Performance: 123.262 ns/day 0.195 hours/ns 7.133 steps/s 2023-04-07 18:01:38,979 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 156800 31360 49.674 -36205 5444.3 -41649 -41649 1.398 1.3853 0.45772 2.5051e+05 2023-04-07 18:01:40,909 INFO [main.py:643]
{rank 0/100} MD step = 156900 step time: 00:00:00.017812 Performance: 123.282 ns/day 0.195 hours/ns 7.134 steps/s 2023-04-07 18:01:45,993 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 156900 31380 49.799 -36259 5458.1 -41717 -41717 1.4003 1.3866 0.45701 2.5066e+05 2023-04-07 18:01:47,841 INFO [main.py:643]
{rank 0/100} MD step = 157000 step time: 00:00:00.021848 Performance: 123.321 ns/day 0.195 hours/ns 7.137 steps/s 2023-04-07 18:01:48,928 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 157000 31400 49.98 -36225 5477.9 -41702 -41702 1.4052 1.3878 0.45688 2.5083e+05 2023-04-07 18:01:50,817 INFO [main.py:643]
{rank 0/100} MD step = 157100 step time: 00:00:00.018019 Performance: 123.383 ns/day 0.195 hours/ns 7.140 steps/s 2023-04-07 18:01:54,366 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 157100 31420 49.699 -36308 5447.1 -41755 -41755 1.4073 1.3867 0.45834 2.5099e+05 2023-04-07 18:01:56,282 INFO [main.py:643]
{rank 0/100} MD step = 157200 step time: 00:00:00.018166 Performance: 123.431 ns/day 0.194 hours/ns 7.143 steps/s 2023-04-07 18:02:22,049 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 157200 31440 50.224 -36166 5504.6 -41671 -41671 1.4067 1.3884 0.4611 2.5115e+05 2023-04-07 18:02:23,887 INFO [main.py:643]
{rank 0/100} MD step = 157300 step time: 00:00:00.018202 Performance: 123.355 ns/day 0.195 hours/ns 7.139 steps/s 2023-04-07 18:02:28,828 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 157300 31460 49.779 -36218 5455.8 -41673 -41673 1.4089 1.3902 0.46056 2.5132e+05 2023-04-07 18:02:30,709 INFO [main.py:643]
{rank 0/100} MD step = 157400 step time: 00:00:00.017977 Performance: 123.395 ns/day 0.194 hours/ns 7.141 steps/s 2023-04-07 18:02:38,960 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 157400 31480 50.115 -36282 5492.7 -41775 -41775 1.4104 1.3913 0.46134 2.5144e+05 2023-04-07 18:02:40,895 INFO [main.py:643]
{rank 0/100} MD step = 157500 step time: 00:00:00.017862 Performance: 123.416 ns/day 0.194 hours/ns 7.142 steps/s 2023-04-07 18:02:45,550 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 157500 31500 49.566 -36203 5432.5 -41636 -41636 1.4113 1.393 0.46113 2.5162e+05 2023-04-07 18:02:47,451 INFO [main.py:643]
{rank 0/100} MD step = 157600 step time: 00:00:00.017917 Performance: 123.458 ns/day 0.194 hours/ns 7.145 steps/s 2023-04-07 18:02:51,744 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 157600 31520 49.628 -36168 5439.3 -41607 -41607 1.4138 1.3953 0.46066 2.5177e+05 2023-04-07 18:02:53,697 INFO [main.py:643]
{rank 0/100} MD step = 157700 step time: 00:00:00.017890 Performance: 123.501 ns/day 0.194 hours/ns 7.147 steps/s 2023-04-07 18:03:03,062 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 157700 31540 50.414 -36131 5525.5 -41656 -41656 1.4164 1.396 0.46175 2.5195e+05 2023-04-07 18:03:04,989 INFO [main.py:643]
{rank 0/100} MD step = 157800 step time: 00:00:00.017931 Performance: 123.516 ns/day 0.194 hours/ns 7.148 steps/s 2023-04-07 18:03:26,356 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 157800 31560 49.774 -36309 5455.3 -41764 -41764 1.4155 1.3967 0.46129 2.5208e+05 2023-04-07 18:03:28,236 INFO [main.py:643]
{rank 0/100} MD step = 157900 step time: 00:00:00.017919 Performance: 123.465 ns/day 0.194 hours/ns 7.145 steps/s 2023-04-07 18:03:36,969 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 157900 31580 49.892 -36213 5468.2 -41682 -41682 1.4146 1.3971 0.4613 2.5227e+05 2023-04-07 18:03:38,941 INFO [main.py:643]
{rank 0/100} MD step = 158000 step time: 00:00:00.018028 Performance: 123.483 ns/day 0.194 hours/ns 7.146 steps/s 2023-04-07 18:03:43,892 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 158000 31600 50.347 -36145 5518.1 -41663 -41663 1.4173 1.3983 0.46225 2.5242e+05 2023-04-07 18:03:45,777 INFO [main.py:643]
{rank 0/100} MD step = 158100 step time: 00:00:00.017958 Performance: 123.523 ns/day 0.194 hours/ns 7.148 steps/s 2023-04-07 18:03:58,384 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 158100 31620 49.862 -36177 5464.9 -41642 -41642 1.4174 1.3982 0.46285 2.5258e+05 2023-04-07 18:04:00,294 INFO [main.py:643]
{rank 0/100} MD step = 158200 step time: 00:00:00.017987 Performance: 123.520 ns/day 0.194 hours/ns 7.148 steps/s 2023-04-07 18:04:09,568 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 158200 31640 49.536 -36235 5429.2 -41664 -41664 1.4182 1.3988 0.46363 2.5275e+05 2023-04-07 18:04:11,516 INFO [main.py:643]
{rank 0/100} MD step = 158300 step time: 00:00:00.018052 Performance: 123.536 ns/day 0.194 hours/ns 7.149 steps/s 2023-04-07 18:04:20,452 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 158300 31660 50.269 -36171 5509.5 -41681 -41681 1.4192 1.3984 0.46427 2.5291e+05 2023-04-07 18:04:22,272 INFO [main.py:643]
{rank 0/100} MD step = 158400 step time: 00:00:00.017891 Performance: 123.554 ns/day 0.194 hours/ns 7.150 steps/s 2023-04-07 18:04:26,565 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 158400 31680 50.15 -36170 5496.5 -41667 -41667 1.4175 1.3985 0.46451 2.5308e+05 2023-04-07 18:04:40,657 INFO [main.py:643]
{rank 0/100} MD step = 158500 step time: 00:00:00.018083 Performance: 123.529 ns/day 0.194 hours/ns 7.149 steps/s 2023-04-07 18:04:58,988 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 158500 31700 49.927 -36218 5472.1 -41690 -41690 1.4204 1.4011 0.46549 2.5325e+05 2023-04-07 18:05:00,809 INFO [main.py:643]
{rank 0/100} MD step = 158600 step time: 00:00:00.018006 Performance: 123.495 ns/day 0.194 hours/ns 7.147 steps/s 2023-04-07 18:05:01,997 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 158600 31720 50.417 -36223 5525.8 -41748 -41748 1.4227 1.4009 0.46627 2.5342e+05 2023-04-07 18:05:04,630 INFO [main.py:643]
{rank 0/100} MD step = 158700 step time: 00:00:00.017904 Performance: 123.551 ns/day 0.194 hours/ns 7.150 steps/s 2023-04-07 18:05:14,300 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 158700 31740 50.176 -36228 5499.4 -41727 -41727 1.4238 1.4022 0.46677 2.5359e+05 2023-04-07 18:05:16,144 INFO [main.py:643]
{rank 0/100} MD step = 158800 step time: 00:00:00.018163 Performance: 123.565 ns/day 0.194 hours/ns 7.151 steps/s 2023-04-07 18:05:33,401 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 158800 31760 50.518 -36110 5536.8 -41647 -41647 1.4261 1.4026 0.46635 2.5376e+05 2023-04-07 18:05:35,261 INFO [main.py:643]
{rank 0/100} MD step = 158900 step time: 00:00:00.017803 Performance: 123.537 ns/day 0.194 hours/ns 7.149 steps/s 2023-04-07 18:05:52,273 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 158900 31780 50.241 -36208 5506.4 -41714 -41714 1.4269 1.4023 0.46766 2.539e+05 2023-04-07 18:05:54,124 INFO [main.py:643]
{rank 0/100} MD step = 159000 step time: 00:00:00.018285 Performance: 123.510 ns/day 0.194 hours/ns 7.148 steps/s 2023-04-07 18:06:00,654 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 159000 31800 50.292 -36176 5512.1 -41688 -41688 1.4305 1.4037 0.46723 2.5406e+05 2023-04-07 18:06:02,615 INFO [main.py:643]
{rank 0/100} MD step = 159100 step time: 00:00:00.018457 Performance: 123.540 ns/day 0.194 hours/ns 7.149 steps/s 2023-04-07 18:06:09,922 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 159100 31820 50.637 -36202 5549.9 -41752 -41752 1.4342 1.4037 0.46723 2.5421e+05 2023-04-07 18:06:11,891 INFO [main.py:643]
{rank 0/100} MD step = 159200 step time: 00:00:00.018072 Performance: 123.566 ns/day 0.194 hours/ns 7.151 steps/s 2023-04-07 18:06:20,552 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 159200 31840 50.316 -36057 5514.7 -41571 -41571 1.4367 1.4031 0.46719 2.5438e+05 2023-04-07 18:06:24,180 INFO [main.py:643]
{rank 0/100} MD step = 159300 step time: 00:00:00.018020 Performance: 123.576 ns/day 0.194 hours/ns 7.151 steps/s 2023-04-07 18:06:42,369 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 159300 31860 49.748 -36294 5452.5 -41746 -41746 1.4385 1.4021 0.46785 2.5454e+05 2023-04-07 18:06:44,323 INFO [main.py:643]
{rank 0/100} MD step = 159400 step time: 00:00:00.017940 Performance: 123.541 ns/day 0.194 hours/ns 7.149 steps/s 2023-04-07 18:06:48,449 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 159400 31880 50.138 -36171 5495.1 -41667 -41667 1.4372 1.403 0.47053 2.547e+05 2023-04-07 18:06:50,710 INFO [main.py:643]
{rank 0/100} MD step = 159500 step time: 00:00:00.017859 Performance: 123.584 ns/day 0.194 hours/ns 7.152 steps/s 2023-04-07 18:07:07,358 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 159500 31900 49.774 -36273 5455.3 -41728 -41728 1.4372 1.4044 0.46941 2.5485e+05 2023-04-07 18:07:09,340 INFO [main.py:643]
{rank 0/100} MD step = 159600 step time: 00:00:00.017947 Performance: 123.558 ns/day 0.194 hours/ns 7.150 steps/s 2023-04-07 18:07:26,814 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 159600 31920 50.504 -36143 5535.3 -41678 -41678 1.4383 1.4046 0.47121 2.5503e+05 2023-04-07 18:07:28,657 INFO [main.py:643]
{rank 0/100} MD step = 159700 step time: 00:00:00.017843 Performance: 123.528 ns/day 0.194 hours/ns 7.149 steps/s 2023-04-07 18:07:29,937 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 159700 31940 50.118 -36251 5493 -41744 -41744 1.4392 1.4064 0.47214 2.5517e+05 2023-04-07 18:07:31,814 INFO [main.py:643]
{rank 0/100} MD step = 159800 step time: 00:00:00.017968 Performance: 123.588 ns/day 0.194 hours/ns 7.152 steps/s 2023-04-07 18:07:43,848 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 159800 31960 49.516 -36217 5427 -41644 -41644 1.4412 1.407 0.4726 2.5534e+05 2023-04-07 18:07:45,673 INFO [main.py:643]
{rank 0/100} MD step = 159900 step time: 00:00:00.017935 Performance: 123.589 ns/day 0.194 hours/ns 7.152 steps/s 2023-04-07 18:08:03,755 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 159900 31980 50.022 -36143 5482.5 -41625 -41625 1.4416 1.4083 0.47221 2.5548e+05 2023-04-07 18:08:05,776 INFO [main.py:643]
{rank 0/100} MD step = 160000 step time: 00:00:00.018043 Performance: 123.555 ns/day 0.194 hours/ns 7.150 steps/s 2023-04-07 18:08:10,774 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 160000 32000 50.193 -36201 5501.2 -41703 -41703 1.4418 1.4097 0.4729 2.5562e+05 2023-04-07 18:08:12,727 INFO [main.py:643]
{rank 0/100} MD step = 160100 step time: 00:00:00.018150 Performance: 123.594 ns/day 0.194 hours/ns 7.152 steps/s 2023-04-07 18:08:20,593 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 160100 32020 49.292 -36200 5402.5 -41602 -41602 1.444 1.4102 0.47185 2.5581e+05 2023-04-07 18:08:22,622 INFO [main.py:643]
{rank 0/100} MD step = 160200 step time: 00:00:00.018562 Performance: 123.616 ns/day 0.194 hours/ns 7.154 steps/s 2023-04-07 18:08:29,961 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 160200 32040 49.816 -36286 5459.9 -41746 -41746 1.4442 1.411 0.47208 2.5594e+05 2023-04-07 18:08:31,814 INFO [main.py:643]
{rank 0/100} MD step = 160300 step time: 00:00:00.018050 Performance: 123.643 ns/day 0.194 hours/ns 7.155 steps/s 2023-04-07 18:08:36,175 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 160300 32060 49.909 -36299 5470.1 -41769 -41769 1.4445 1.4114 0.47119 2.5612e+05 2023-04-07 18:08:38,157 INFO [main.py:643]
{rank 0/100} MD step = 160400 step time: 00:00:00.017852 Performance: 123.685 ns/day 0.194 hours/ns 7.158 steps/s 2023-04-07 18:08:42,799 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 160400 32080 49.699 -36344 5447 -41791 -41791 1.4463 1.4142 0.46995 2.5625e+05 2023-04-07 18:08:44,701 INFO [main.py:643]
{rank 0/100} MD step = 160500 step time: 00:00:00.017803 Performance: 123.726 ns/day 0.194 hours/ns 7.160 steps/s 2023-04-07 18:08:57,935 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 160500 32100 49.958 -36133 5475.5 -41608 -41608 1.4455 1.4148 0.47012 2.5645e+05 2023-04-07 18:09:02,865 INFO [main.py:643]
{rank 0/100} MD step = 160600 step time: 00:00:00.017845 Performance: 123.703 ns/day 0.194 hours/ns 7.159 steps/s 2023-04-07 18:09:20,663 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 160600 32120 50.654 -36215 5551.7 -41767 -41767 1.4459 1.4151 0.46821 2.5657e+05 2023-04-07 18:09:22,589 INFO [main.py:643]
{rank 0/100} MD step = 160700 step time: 00:00:00.018043 Performance: 123.671 ns/day 0.194 hours/ns 7.157 steps/s 2023-04-07 18:09:35,666 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 160700 32140 50.222 -36166 5504.4 -41670 -41670 1.4472 1.4166 0.46946 2.5676e+05 2023-04-07 18:09:37,622 INFO [main.py:643]
{rank 0/100} MD step = 160800 step time: 00:00:00.017899 Performance: 123.665 ns/day 0.194 hours/ns 7.157 steps/s 2023-04-07 18:09:46,707 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 160800 32160 50.47 -36189 5531.5 -41721 -41721 1.4482 1.4183 0.46944 2.5691e+05 2023-04-07 18:09:48,603 INFO [main.py:643]
{rank 0/100} MD step = 160900 step time: 00:00:00.017809 Performance: 123.682 ns/day 0.194 hours/ns 7.158 steps/s 2023-04-07 18:09:57,458 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 160900 32180 50.035 -36229 5483.9 -41713 -41713 1.4492 1.4192 0.46963 2.5707e+05 2023-04-07 18:09:59,366 INFO [main.py:643]
{rank 0/100} MD step = 161000 step time: 00:00:00.018018 Performance: 123.699 ns/day 0.194 hours/ns 7.159 steps/s 2023-04-07 18:10:13,306 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 161000 32200 49.879 -36276 5466.8 -41743 -41743 1.4498 1.4207 0.46922 2.5721e+05 2023-04-07 18:10:15,210 INFO [main.py:643]
{rank 0/100} MD step = 161100 step time: 00:00:00.018160 Performance: 123.689 ns/day 0.194 hours/ns 7.158 steps/s 2023-04-07 18:10:16,403 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 161100 32220 50.721 -36059 5559.1 -41618 -41618 1.4505 1.4202 0.47056 2.5737e+05 2023-04-07 18:10:18,433 INFO [main.py:643]
{rank 0/100} MD step = 161200 step time: 00:00:00.017909 Performance: 123.748 ns/day 0.194 hours/ns 7.161 steps/s 2023-04-07 18:10:31,613 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 161200 32240 50.293 -36127 5512.2 -41639 -41639 1.4502 1.4218 0.47266 2.5751e+05 2023-04-07 18:10:33,506 INFO [main.py:643]
{rank 0/100} MD step = 161300 step time: 00:00:00.017874 Performance: 123.742 ns/day 0.194 hours/ns 7.161 steps/s 2023-04-07 18:10:39,610 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 161300 32260 50.359 -36170 5519.4 -41689 -41689 1.4518 1.4223 0.4707 2.5765e+05 2023-04-07 18:10:41,535 INFO [main.py:643]
{rank 0/100} MD step = 161400 step time: 00:00:00.018042 Performance: 123.775 ns/day 0.194 hours/ns 7.163 steps/s 2023-04-07 18:10:53,162 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 161400 32280 49.183 -36318 5390.5 -41709 -41709 1.4525 1.4227 0.46989 2.578e+05 2023-04-07 18:10:55,015 INFO [main.py:643]
{rank 0/100} MD step = 161500 step time: 00:00:00.017988 Performance: 123.777 ns/day 0.194 hours/ns 7.163 steps/s 2023-04-07 18:11:04,114 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 161500 32300 50.001 -36142 5480.2 -41622 -41622 1.4535 1.423 0.46919 2.58e+05 2023-04-07 18:11:06,004 INFO [main.py:643]
{rank 0/100} MD step = 161600 step time: 00:00:00.018009 Performance: 123.794 ns/day 0.194 hours/ns 7.164 steps/s 2023-04-07 18:11:08,239 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 161600 32320 50.31 -36209 5514 -41723 -41723 1.4531 1.4245 0.46933 2.5812e+05 2023-04-07 18:11:10,252 INFO [main.py:643]
{rank 0/100} MD step = 161700 step time: 00:00:00.018159 Performance: 123.847 ns/day 0.194 hours/ns 7.167 steps/s 2023-04-07 18:11:31,575 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 161700 32340 50.141 -36122 5495.5 -41618 -41618 1.4543 1.4248 0.47085 2.5833e+05 2023-04-07 18:11:33,662 INFO [main.py:643]
{rank 0/100} MD step = 161800 step time: 00:00:00.018001 Performance: 123.795 ns/day 0.194 hours/ns 7.164 steps/s 2023-04-07 18:11:50,844 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 161800 32360 49.481 -36271 5423.2 -41695 -41695 1.455 1.426 0.47093 2.5848e+05 2023-04-07 18:11:52,793 INFO [main.py:643]
{rank 0/100} MD step = 161900 step time: 00:00:00.017816 Performance: 123.767 ns/day 0.194 hours/ns 7.162 steps/s 2023-04-07 18:12:14,593 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 161900 32380 50.073 -36146 5488 -41634 -41634 1.4571 1.4252 0.47326 2.5866e+05 2023-04-07 18:12:16,679 INFO [main.py:643]
{rank 0/100} MD step = 162000 step time: 00:00:00.017922 Performance: 123.712 ns/day 0.194 hours/ns 7.159 steps/s 2023-04-07 18:12:34,472 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 162000 32400 49.908 -36113 5470 -41583 -41583 1.4568 1.4255 0.47308 2.5885e+05 2023-04-07 18:12:36,390 INFO [main.py:643]
{rank 0/100} MD step = 162100 step time: 00:00:00.017966 Performance: 123.681 ns/day 0.194 hours/ns 7.157 steps/s 2023-04-07 18:12:49,025 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 162100 32420 49.34 -36246 5407.8 -41654 -41654 1.457 1.427 0.47178 2.59e+05 2023-04-07 18:12:50,916 INFO [main.py:643]
{rank 0/100} MD step = 162200 step time: 00:00:00.018008 Performance: 123.678 ns/day 0.194 hours/ns 7.157 steps/s 2023-04-07 18:13:08,634 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 162200 32440 50.251 -36162 5507.6 -41670 -41670 1.4586 1.4275 0.47361 2.5917e+05 2023-04-07 18:13:10,480 INFO [main.py:643]
{rank 0/100} MD step = 162300 step time: 00:00:00.018034 Performance: 123.648 ns/day 0.194 hours/ns 7.156 steps/s 2023-04-07 18:13:14,491 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 162300 32460 50.644 -36077 5550.6 -41628 -41628 1.4601 1.4281 0.47496 2.5934e+05 2023-04-07 18:13:16,328 INFO [main.py:643]
{rank 0/100} MD step = 162400 step time: 00:00:00.018016 Performance: 123.692 ns/day 0.194 hours/ns 7.158 steps/s 2023-04-07 18:13:21,969 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 162400 32480 50.405 -36182 5524.4 -41706 -41706 1.4618 1.4297 0.47424 2.5951e+05 2023-04-07 18:13:23,860 INFO [main.py:643]
{rank 0/100} MD step = 162500 step time: 00:00:00.017974 Performance: 123.727 ns/day 0.194 hours/ns 7.160 steps/s 2023-04-07 18:13:30,591 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 162500 32500 50.737 -36087 5560.8 -41648 -41648 1.4659 1.4312 0.47503 2.5966e+05 2023-04-07 18:13:32,574 INFO [main.py:643]
{rank 0/100} MD step = 162600 step time: 00:00:00.018114 Performance: 123.756 ns/day 0.194 hours/ns 7.162 steps/s 2023-04-07 18:13:38,666 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 162600 32520 50.027 -36204 5483.1 -41687 -41687 1.4681 1.4328 0.47574 2.598e+05 2023-04-07 18:13:40,461 INFO [main.py:643]
{rank 0/100} MD step = 162700 step time: 00:00:00.017999 Performance: 123.789 ns/day 0.194 hours/ns 7.164 steps/s 2023-04-07 18:13:57,668 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 162700 32540 49.524 -36179 5427.9 -41607 -41607 1.4709 1.4353 0.47584 2.5999e+05 2023-04-07 18:13:59,548 INFO [main.py:643]
{rank 0/100} MD step = 162800 step time: 00:00:00.017913 Performance: 123.761 ns/day 0.194 hours/ns 7.162 steps/s 2023-04-07 18:14:01,206 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 162800 32560 50.45 -36131 5529.4 -41660 -41660 1.4736 1.4353 0.47612 2.6017e+05 2023-04-07 18:14:03,032 INFO [main.py:643]
{rank 0/100} MD step = 162900 step time: 00:00:00.018061 Performance: 123.818 ns/day 0.194 hours/ns 7.165 steps/s 2023-04-07 18:14:04,183 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 162900 32580 50.603 -36260 5546.2 -41806 -41806 1.4753 1.4369 0.47721 2.6029e+05 2023-04-07 18:14:06,013 INFO [main.py:643]
{rank 0/100} MD step = 163000 step time: 00:00:00.018072 Performance: 123.878 ns/day 0.194 hours/ns 7.169 steps/s 2023-04-07 18:14:07,090 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 163000 32600 50.12 -36338 5493.3 -41831 -41831 1.4753 1.4378 0.47897 2.6047e+05 2023-04-07 18:14:09,020 INFO [main.py:643]
{rank 0/100} MD step = 163100 step time: 00:00:00.018004 Performance: 123.937 ns/day 0.194 hours/ns 7.172 steps/s 2023-04-07 18:14:11,338 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 163100 32620 49.823 -36250 5460.6 -41711 -41711 1.4734 1.4379 0.47917 2.6066e+05 2023-04-07 18:14:13,182 INFO [main.py:643]
{rank 0/100} MD step = 163200 step time: 00:00:00.018038 Performance: 123.990 ns/day 0.194 hours/ns 7.175 steps/s 2023-04-07 18:14:21,164 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 163200 32640 49.472 -36290 5422.2 -41713 -41713 1.4725 1.4387 0.47824 2.6081e+05 2023-04-07 18:14:23,034 INFO [main.py:643]
{rank 0/100} MD step = 163300 step time: 00:00:00.017982 Performance: 124.013 ns/day 0.194 hours/ns 7.177 steps/s 2023-04-07 18:14:24,702 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 163300 32660 49.869 -36265 5465.8 -41731 -41731 1.4724 1.4397 0.47866 2.6095e+05 2023-04-07 18:14:26,592 INFO [main.py:643]
{rank 0/100} MD step = 163400 step time: 00:00:00.018021 Performance: 124.069 ns/day 0.193 hours/ns 7.180 steps/s 2023-04-07 18:14:38,870 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 163400 32680 48.952 -36393 5365.2 -41758 -41758 1.4774 1.4407 0.47904 2.6111e+05 2023-04-07 18:14:40,784 INFO [main.py:643]
{rank 0/100} MD step = 163500 step time: 00:00:00.018406 Performance: 124.068 ns/day 0.193 hours/ns 7.180 steps/s 2023-04-07 18:14:54,003 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 163500 32700 50.413 -36068 5525.3 -41593 -41593 1.4774 1.4414 0.4798 2.6127e+05 2023-04-07 18:14:55,810 INFO [main.py:643]
{rank 0/100} MD step = 163600 step time: 00:00:00.017940 Performance: 124.062 ns/day 0.193 hours/ns 7.180 steps/s 2023-04-07 18:15:04,127 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 163600 32720 50.099 -36216 5490.9 -41706 -41706 1.4764 1.441 0.48195 2.6144e+05 2023-04-07 18:15:10,094 INFO [main.py:643]
{rank 0/100} MD step = 163700 step time: 00:00:00.017924 Performance: 124.060 ns/day 0.193 hours/ns 7.179 steps/s 2023-04-07 18:15:17,137 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 163700 32740 50.036 -36303 5484 -41787 -41787 1.4763 1.4437 0.48159 2.6156e+05 2023-04-07 18:15:19,221 INFO [main.py:643]
{rank 0/100} MD step = 163800 step time: 00:00:00.018001 Performance: 124.086 ns/day 0.193 hours/ns 7.181 steps/s 2023-04-07 18:15:24,233 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 163800 32760 49.809 -36258 5459.1 -41717 -41717 1.4761 1.4429 0.48062 2.6174e+05 2023-04-07 18:15:26,122 INFO [main.py:643]
{rank 0/100} MD step = 163900 step time: 00:00:00.017912 Performance: 124.124 ns/day 0.193 hours/ns 7.183 steps/s 2023-04-07 18:15:27,274 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 163900 32780 50.049 -36126 5485.4 -41611 -41611 1.4783 1.4437 0.48082 2.619e+05 2023-04-07 18:15:29,169 INFO [main.py:643]
{rank 0/100} MD step = 164000 step time: 00:00:00.018133 Performance: 124.183 ns/day 0.193 hours/ns 7.187 steps/s 2023-04-07 18:15:41,127 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 164000 32800 49.982 -36149 5478.1 -41627 -41627 1.4789 1.4444 0.48357 2.6207e+05 2023-04-07 18:15:43,008 INFO [main.py:643]
{rank 0/100} MD step = 164100 step time: 00:00:00.018108 Performance: 124.184 ns/day 0.193 hours/ns 7.187 steps/s 2023-04-07 18:15:44,109 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 164100 32820 49.464 -36253 5421.3 -41675 -41675 1.4769 1.4459 0.48373 2.6224e+05 2023-04-07 18:15:46,043 INFO [main.py:643]
{rank 0/100} MD step = 164200 step time: 00:00:00.031856 Performance: 124.243 ns/day 0.193 hours/ns 7.190 steps/s 2023-04-07 18:15:53,987 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 164200 32840 49.96 -36257 5475.6 -41733 -41733 1.4787 1.4464 0.48331 2.624e+05 2023-04-07 18:15:55,822 INFO [main.py:643]
{rank 0/100} MD step = 164300 step time: 00:00:00.018151 Performance: 124.265 ns/day 0.193 hours/ns 7.191 steps/s 2023-04-07 18:16:13,525 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 164300 32860 50.124 -36101 5493.7 -41595 -41595 1.4812 1.4482 0.48387 2.6259e+05 2023-04-07 18:16:15,365 INFO [main.py:643]
{rank 0/100} MD step = 164400 step time: 00:00:00.018049 Performance: 124.235 ns/day 0.193 hours/ns 7.190 steps/s 2023-04-07 18:16:27,892 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 164400 32880 50.268 -36081 5509.4 -41591 -41591 1.4808 1.449 0.48334 2.6275e+05 2023-04-07 18:16:29,883 INFO [main.py:643]
{rank 0/100} MD step = 164500 step time: 00:00:00.017836 Performance: 124.231 ns/day 0.193 hours/ns 7.189 steps/s 2023-04-07 18:16:51,608 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 164500 32900 49.986 -36187 5478.5 -41665 -41665 1.482 1.4482 0.48399 2.629e+05 2023-04-07 18:16:53,466 INFO [main.py:643]
{rank 0/100} MD step = 164600 step time: 00:00:00.018013 Performance: 124.179 ns/day 0.193 hours/ns 7.186 steps/s 2023-04-07 18:17:06,664 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 164600 32920 50.448 -36168 5529.2 -41697 -41697 1.4819 1.4498 0.48266 2.6306e+05 2023-04-07 18:17:08,596 INFO [main.py:643]
{rank 0/100} MD step = 164700 step time: 00:00:00.018138 Performance: 124.172 ns/day 0.193 hours/ns 7.186 steps/s 2023-04-07 18:17:16,185 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 164700 32940 49.58 -36273 5434 -41707 -41707 1.4839 1.4512 0.48299 2.6321e+05 2023-04-07 18:17:18,036 INFO [main.py:643]
{rank 0/100} MD step = 164800 step time: 00:00:00.018033 Performance: 124.197 ns/day 0.193 hours/ns 7.187 steps/s 2023-04-07 18:17:34,697 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 164800 32960 50.268 -36217 5509.4 -41726 -41726 1.4855 1.4544 0.4845 2.6337e+05 2023-04-07 18:17:40,282 INFO [main.py:643]
{rank 0/100} MD step = 164900 step time: 00:00:00.017990 Performance: 124.152 ns/day 0.193 hours/ns 7.185 steps/s 2023-04-07 18:17:57,932 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 164900 32980 50.569 -36144 5542.4 -41686 -41686 1.4874 1.4551 0.48357 2.6358e+05 2023-04-07 18:17:59,753 INFO [main.py:643]
{rank 0/100} MD step = 165000 step time: 00:00:00.018113 Performance: 124.121 ns/day 0.193 hours/ns 7.183 steps/s 2023-04-07 18:18:13,627 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 165000 33000 50.205 -36179 5502.5 -41681 -41681 1.4892 1.4554 0.48348 2.6372e+05 2023-04-07 18:18:15,463 INFO [main.py:643]
{rank 0/100} MD step = 165100 step time: 00:00:00.017919 Performance: 124.112 ns/day 0.193 hours/ns 7.182 steps/s 2023-04-07 18:18:28,019 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 165100 33020 49.658 -36342 5442.6 -41785 -41785 1.4876 1.455 0.48615 2.6386e+05 2023-04-07 18:18:29,855 INFO [main.py:643]
{rank 0/100} MD step = 165200 step time: 00:00:00.018040 Performance: 124.109 ns/day 0.193 hours/ns 7.182 steps/s 2023-04-07 18:18:49,749 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 165200 33040 50.669 -36061 5553.3 -41615 -41615 1.4892 1.4569 0.4867 2.6408e+05 2023-04-07 18:18:55,664 INFO [main.py:643]
{rank 0/100} MD step = 165300 step time: 00:00:00.018076 Performance: 124.045 ns/day 0.193 hours/ns 7.179 steps/s 2023-04-07 18:19:04,680 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 165300 33060 49.667 -36210 5443.6 -41654 -41654 1.4918 1.4579 0.48818 2.6423e+05 2023-04-07 18:19:06,609 INFO [main.py:643]
{rank 0/100} MD step = 165400 step time: 00:00:00.017904 Performance: 124.061 ns/day 0.193 hours/ns 7.179 steps/s 2023-04-07 18:19:20,134 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 165400 33080 49.955 -36182 5475.2 -41657 -41657 1.4934 1.4576 0.48917 2.6438e+05 2023-04-07 18:19:22,049 INFO [main.py:643]
{rank 0/100} MD step = 165500 step time: 00:00:00.017872 Performance: 124.053 ns/day 0.193 hours/ns 7.179 steps/s 2023-04-07 18:19:26,258 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 165500 33100 50.013 -36230 5481.5 -41711 -41711 1.4949 1.4582 0.48948 2.6452e+05 2023-04-07 18:19:28,138 INFO [main.py:643]
{rank 0/100} MD step = 165600 step time: 00:00:00.018149 Performance: 124.095 ns/day 0.193 hours/ns 7.181 steps/s 2023-04-07 18:19:29,251 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 165600 33120 50.669 -36200 5553.4 -41754 -41754 1.4945 1.4595 0.49112 2.6467e+05 2023-04-07 18:19:31,107 INFO [main.py:643]
{rank 0/100} MD step = 165700 step time: 00:00:00.018122 Performance: 124.154 ns/day 0.193 hours/ns 7.185 steps/s 2023-04-07 18:19:43,186 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 165700 33140 50.129 -36220 5494.2 -41715 -41715 1.4944 1.4601 0.48913 2.6485e+05 2023-04-07 18:19:45,235 INFO [main.py:643]
{rank 0/100} MD step = 165800 step time: 00:00:00.017860 Performance: 124.153 ns/day 0.193 hours/ns 7.185 steps/s 2023-04-07 18:20:02,602 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 165800 33160 49.959 -36309 5475.6 -41785 -41785 1.4936 1.4621 0.49043 2.6497e+05 2023-04-07 18:20:04,588 INFO [main.py:643]
{rank 0/100} MD step = 165900 step time: 00:00:00.018031 Performance: 124.124 ns/day 0.193 hours/ns 7.183 steps/s 2023-04-07 18:20:09,929 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 165900 33180 51.069 -36160 5597.2 -41757 -41757 1.4927 1.4634 0.49233 2.651e+05 2023-04-07 18:20:11,830 INFO [main.py:643]
{rank 0/100} MD step = 166000 step time: 00:00:00.017982 Performance: 124.160 ns/day 0.193 hours/ns 7.185 steps/s 2023-04-07 18:20:15,538 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 166000 33200 50.207 -36205 5502.7 -41708 -41708 1.4942 1.4641 0.49325 2.6528e+05 2023-04-07 18:20:17,945 INFO [main.py:643]
{rank 0/100} MD step = 166100 step time: 00:00:00.018250 Performance: 124.202 ns/day 0.193 hours/ns 7.188 steps/s 2023-04-07 18:20:30,899 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 166100 33220 50.342 -36206 5517.5 -41723 -41723 1.4964 1.4652 0.49399 2.6544e+05 2023-04-07 18:20:32,697 INFO [main.py:643]
{rank 0/100} MD step = 166200 step time: 00:00:00.018032 Performance: 124.197 ns/day 0.193 hours/ns 7.187 steps/s 2023-04-07 18:20:43,710 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 166200 33240 49.848 -36160 5463.4 -41623 -41623 1.4982 1.4654 0.49348 2.6564e+05 2023-04-07 18:20:45,502 INFO [main.py:643]
{rank 0/100} MD step = 166300 step time: 00:00:00.017702 Performance: 124.203 ns/day 0.193 hours/ns 7.188 steps/s 2023-04-07 18:20:50,279 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 166300 33260 50.26 -36144 5508.5 -41652 -41652 1.499 1.4658 0.49457 2.658e+05 2023-04-07 18:20:52,555 INFO [main.py:643]
{rank 0/100} MD step = 166400 step time: 00:00:00.017969 Performance: 124.240 ns/day 0.193 hours/ns 7.190 steps/s 2023-04-07 18:21:00,644 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 166400 33280 50.269 -36166 5509.5 -41676 -41676 1.499 1.4678 0.49502 2.6596e+05 2023-04-07 18:21:02,613 INFO [main.py:643]
{rank 0/100} MD step = 166500 step time: 00:00:00.018058 Performance: 124.261 ns/day 0.193 hours/ns 7.191 steps/s 2023-04-07 18:21:28,499 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 166500 33300 50.311 -36145 5514.1 -41659 -41659 1.4987 1.4681 0.49598 2.6612e+05 2023-04-07 18:21:30,459 INFO [main.py:643]
{rank 0/100} MD step = 166600 step time: 00:00:00.018169 Performance: 124.186 ns/day 0.193 hours/ns 7.187 steps/s 2023-04-07 18:21:39,322 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 166600 33320 49.589 -36282 5435 -41717 -41717 1.4986 1.4677 0.49614 2.6629e+05 2023-04-07 18:21:41,237 INFO [main.py:643]
{rank 0/100} MD step = 166700 step time: 00:00:00.018126 Performance: 124.203 ns/day 0.193 hours/ns 7.188 steps/s 2023-04-07 18:21:50,173 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 166700 33340 50.991 -36005 5588.7 -41594 -41594 1.501 1.4706 0.49602 2.6645e+05 2023-04-07 18:21:51,984 INFO [main.py:643]
{rank 0/100} MD step = 166800 step time: 00:00:00.017765 Performance: 124.220 ns/day 0.193 hours/ns 7.189 steps/s 2023-04-07 18:21:56,881 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 166800 33360 50.207 -36158 5502.7 -41661 -41661 1.5021 1.4712 0.49366 2.6659e+05 2023-04-07 18:22:02,411 INFO [main.py:643]
{rank 0/100} MD step = 166900 step time: 00:00:00.018066 Performance: 124.238 ns/day 0.193 hours/ns 7.190 steps/s 2023-04-07 18:22:03,938 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 166900 33380 50.069 -36177 5487.6 -41665 -41665 1.5002 1.4713 0.49275 2.6676e+05 2023-04-07 18:22:05,769 INFO [main.py:643]
{rank 0/100} MD step = 167000 step time: 00:00:00.018028 Performance: 124.295 ns/day 0.193 hours/ns 7.193 steps/s 2023-04-07 18:22:18,526 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 167000 33400 50.283 -36285 5511 -41796 -41796 1.4997 1.4699 0.49239 2.6689e+05 2023-04-07 18:22:20,441 INFO [main.py:643]
{rank 0/100} MD step = 167100 step time: 00:00:00.035587 Performance: 124.291 ns/day 0.193 hours/ns 7.193 steps/s 2023-04-07 18:22:46,035 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 167100 33420 50.053 -36226 5485.9 -41712 -41712 1.5034 1.4715 0.49444 2.6706e+05 2023-04-07 18:22:47,954 INFO [main.py:643]
{rank 0/100} MD step = 167200 step time: 00:00:00.018056 Performance: 124.218 ns/day 0.193 hours/ns 7.189 steps/s 2023-04-07 18:22:56,408 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 167200 33440 49.894 -36202 5468.4 -41670 -41670 1.5058 1.4712 0.49494 2.6724e+05 2023-04-07 18:22:58,352 INFO [main.py:643]
{rank 0/100} MD step = 167300 step time: 00:00:00.018006 Performance: 124.237 ns/day 0.193 hours/ns 7.190 steps/s 2023-04-07 18:23:11,849 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 167300 33460 49.702 -36217 5447.4 -41665 -41665 1.5052 1.4724 0.49493 2.674e+05 2023-04-07 18:23:13,832 INFO [main.py:643]
{rank 0/100} MD step = 167400 step time: 00:00:00.017919 Performance: 124.228 ns/day 0.193 hours/ns 7.189 steps/s 2023-04-07 18:23:26,621 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 167400 33480 49.771 -36252 5455 -41707 -41707 1.5067 1.4719 0.495 2.6754e+05 2023-04-07 18:23:28,610 INFO [main.py:643]
{rank 0/100} MD step = 167500 step time: 00:00:00.018014 Performance: 124.224 ns/day 0.193 hours/ns 7.189 steps/s 2023-04-07 18:23:37,777 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 167500 33500 50.397 -36219 5523.6 -41742 -41742 1.5062 1.4726 0.49523 2.6769e+05 2023-04-07 18:23:39,949 INFO [main.py:643]
{rank 0/100} MD step = 167600 step time: 00:00:00.017902 Performance: 124.237 ns/day 0.193 hours/ns 7.190 steps/s 2023-04-07 18:23:48,973 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 167600 33520 49.892 -36138 5468.2 -41606 -41606 1.5081 1.4735 0.49364 2.6787e+05 2023-04-07 18:23:50,813 INFO [main.py:643]
{rank 0/100} MD step = 167700 step time: 00:00:00.018043 Performance: 124.254 ns/day 0.193 hours/ns 7.191 steps/s 2023-04-07 18:23:58,919 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 167700 33540 50.218 -36184 5503.9 -41688 -41688 1.5093 1.4731 0.49451 2.68e+05 2023-04-07 18:24:00,844 INFO [main.py:643]
{rank 0/100} MD step = 167800 step time: 00:00:00.018053 Performance: 124.274 ns/day 0.193 hours/ns 7.192 steps/s 2023-04-07 18:24:13,931 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 167800 33560 49.74 -36274 5451.5 -41726 -41726 1.511 1.4747 0.49538 2.6816e+05 2023-04-07 18:24:15,819 INFO [main.py:643]
{rank 0/100} MD step = 167900 step time: 00:00:00.017939 Performance: 124.269 ns/day 0.193 hours/ns 7.191 steps/s 2023-04-07 18:24:28,845 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 167900 33580 49.728 -36184 5450.2 -41635 -41635 1.5109 1.4762 0.49668 2.6836e+05 2023-04-07 18:24:30,827 INFO [main.py:643]
{rank 0/100} MD step = 168000 step time: 00:00:00.018978 Performance: 124.263 ns/day 0.193 hours/ns 7.191 steps/s 2023-04-07 18:24:44,088 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 168000 33600 49.031 -36394 5373.9 -41768 -41768 1.5131 1.4765 0.4973 2.685e+05 2023-04-07 18:24:45,922 INFO [main.py:643]
{rank 0/100} MD step = 168100 step time: 00:00:00.018050 Performance: 124.256 ns/day 0.193 hours/ns 7.191 steps/s 2023-04-07 18:25:03,501 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 168100 33620 50.607 -36141 5546.6 -41687 -41687 1.5148 1.4772 0.49831 2.6865e+05 2023-04-07 18:25:05,287 INFO [main.py:643]
{rank 0/100} MD step = 168200 step time: 00:00:00.017883 Performance: 124.227 ns/day 0.193 hours/ns 7.189 steps/s 2023-04-07 18:25:06,556 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 168200 33640 49.985 -36264 5478.5 -41743 -41743 1.5129 1.4793 0.49896 2.6883e+05 2023-04-07 18:25:08,361 INFO [main.py:643]
{rank 0/100} MD step = 168300 step time: 00:00:00.017984 Performance: 124.285 ns/day 0.193 hours/ns 7.192 steps/s 2023-04-07 18:25:12,784 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 168300 33660 49.801 -36187 5458.2 -41645 -41645 1.5129 1.4808 0.50054 2.6901e+05 2023-04-07 18:25:14,938 INFO [main.py:643]
{rank 0/100} MD step = 168400 step time: 00:00:00.017997 Performance: 124.324 ns/day 0.193 hours/ns 7.195 steps/s 2023-04-07 18:25:35,683 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 168400 33680 50.065 -36176 5487.2 -41663 -41663 1.5166 1.4821 0.50148 2.6918e+05 2023-04-07 18:25:37,560 INFO [main.py:643]
{rank 0/100} MD step = 168500 step time: 00:00:00.018016 Performance: 124.278 ns/day 0.193 hours/ns 7.192 steps/s 2023-04-07 18:25:38,334 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 168500 33700 49.928 -36301 5472.2 -41773 -41773 1.519 1.483 0.50161 2.6929e+05 2023-04-07 18:25:43,885 INFO [main.py:643]
{rank 0/100} MD step = 168600 step time: 00:00:00.017937 Performance: 124.318 ns/day 0.193 hours/ns 7.194 steps/s 2023-04-07 18:25:52,826 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 168600 33720 49.513 -36272 5426.7 -41699 -41699 1.5185 1.4844 0.50238 2.6946e+05 2023-04-07 18:25:58,659 INFO [main.py:643]
{rank 0/100} MD step = 168700 step time: 00:00:00.018079 Performance: 124.313 ns/day 0.193 hours/ns 7.194 steps/s 2023-04-07 18:26:04,000 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 168700 33740 50.32 -36161 5515.2 -41676 -41676 1.5208 1.4852 0.50256 2.6965e+05 2023-04-07 18:26:05,870 INFO [main.py:643]
{rank 0/100} MD step = 168800 step time: 00:00:00.018530 Performance: 124.349 ns/day 0.193 hours/ns 7.196 steps/s 2023-04-07 18:26:18,603 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 168800 33760 50.383 -36106 5522.1 -41628 -41628 1.5225 1.4861 0.50221 2.6981e+05 2023-04-07 18:26:20,575 INFO [main.py:643]
{rank 0/100} MD step = 168900 step time: 00:00:00.017881 Performance: 124.344 ns/day 0.193 hours/ns 7.196 steps/s 2023-04-07 18:26:25,292 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 168900 33780 49.623 -36200 5438.7 -41638 -41638 1.5249 1.4881 0.50364 2.6998e+05 2023-04-07 18:26:27,134 INFO [main.py:643]
{rank 0/100} MD step = 169000 step time: 00:00:00.017969 Performance: 124.383 ns/day 0.193 hours/ns 7.198 steps/s 2023-04-07 18:26:35,821 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 169000 33800 49.365 -36287 5410.5 -41697 -41697 1.5252 1.4888 0.50567 2.7013e+05 2023-04-07 18:26:38,246 INFO [main.py:643]
{rank 0/100} MD step = 169100 step time: 00:00:00.018076 Performance: 124.398 ns/day 0.193 hours/ns 7.199 steps/s 2023-04-07 18:26:50,812 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 169100 33820 49.209 -36321 5393.4 -41715 -41715 1.5249 1.4902 0.50685 2.7027e+05 2023-04-07 18:26:52,656 INFO [main.py:643]
{rank 0/100} MD step = 169200 step time: 00:00:00.018089 Performance: 124.395 ns/day 0.193 hours/ns 7.199 steps/s 2023-04-07 18:27:06,070 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 169200 33840 50.526 -36221 5537.8 -41759 -41759 1.5237 1.4893 0.50753 2.7046e+05 2023-04-07 18:27:07,997 INFO [main.py:643]
{rank 0/100} MD step = 169300 step time: 00:00:00.018018 Performance: 124.387 ns/day 0.193 hours/ns 7.198 steps/s 2023-04-07 18:27:22,783 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 169300 33860 50.056 -36286 5486.2 -41772 -41772 1.5236 1.4915 0.50752 2.7061e+05 2023-04-07 18:27:24,605 INFO [main.py:643]
{rank 0/100} MD step = 169400 step time: 00:00:00.018082 Performance: 124.373 ns/day 0.193 hours/ns 7.198 steps/s 2023-04-07 18:27:36,163 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 169400 33880 50.787 -36047 5566.3 -41613 -41613 1.524 1.4923 0.50761 2.7079e+05 2023-04-07 18:27:38,149 INFO [main.py:643]
{rank 0/100} MD step = 169500 step time: 00:00:00.018040 Performance: 124.375 ns/day 0.193 hours/ns 7.198 steps/s 2023-04-07 18:27:51,709 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 169500 33900 49.878 -36203 5466.7 -41670 -41670 1.5239 1.4923 0.50677 2.7097e+05 2023-04-07 18:27:53,515 INFO [main.py:643]
{rank 0/100} MD step = 169600 step time: 00:00:00.018051 Performance: 124.367 ns/day 0.193 hours/ns 7.197 steps/s 2023-04-07 18:27:57,911 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 169600 33920 49.939 -36198 5473.4 -41672 -41672 1.5258 1.494 0.50647 2.7109e+05 2023-04-07 18:27:59,829 INFO [main.py:643]
{rank 0/100} MD step = 169700 step time: 00:00:00.018049 Performance: 124.407 ns/day 0.193 hours/ns 7.199 steps/s 2023-04-07 18:28:12,371 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 169700 33940 49.459 -36161 5420.8 -41581 -41581 1.5289 1.4946 0.50702 2.7128e+05 2023-04-07 18:28:14,200 INFO [main.py:643]
{rank 0/100} MD step = 169800 step time: 00:00:00.018116 Performance: 124.405 ns/day 0.193 hours/ns 7.199 steps/s 2023-04-07 18:28:31,747 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 169800 33960 49.63 -36347 5439.5 -41786 -41786 1.5292 1.4937 0.50822 2.714e+05 2023-04-07 18:28:33,622 INFO [main.py:643]
{rank 0/100} MD step = 169900 step time: 00:00:00.018073 Performance: 124.375 ns/day 0.193 hours/ns 7.198 steps/s 2023-04-07 18:28:47,339 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 169900 33980 49.533 -36323 5428.9 -41752 -41752 1.5289 1.4939 0.50786 2.7157e+05 2023-04-07 18:28:49,282 INFO [main.py:643]
{rank 0/100} MD step = 170000 step time: 00:00:00.018056 Performance: 124.366 ns/day 0.193 hours/ns 7.197 steps/s 2023-04-07 18:29:06,116 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 170000 34000 49.37 -36162 5411 -41573 -41573 1.5305 1.4948 0.50915 2.7177e+05 2023-04-07 18:29:08,135 INFO [main.py:643]
{rank 0/100} MD step = 170100 step time: 00:00:00.018097 Performance: 124.340 ns/day 0.193 hours/ns 7.196 steps/s 2023-04-07 18:29:20,995 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 170100 34020 49.871 -36220 5466 -41686 -41686 1.5331 1.496 0.50919 2.7191e+05 2023-04-07 18:29:26,983 INFO [main.py:643]
{rank 0/100} MD step = 170200 step time: 00:00:00.017963 Performance: 124.314 ns/day 0.193 hours/ns 7.194 steps/s 2023-04-07 18:29:51,817 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 170200 34040 49.623 -36241 5438.8 -41680 -41680 1.5342 1.4971 0.51039 2.7205e+05 2023-04-07 18:29:53,682 INFO [main.py:643]
{rank 0/100} MD step = 170300 step time: 00:00:00.018031 Performance: 124.247 ns/day 0.193 hours/ns 7.190 steps/s 2023-04-07 18:30:02,069 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 170300 34060 48.928 -36308 5362.6 -41670 -41670 1.5368 1.499 0.51009 2.7221e+05 2023-04-07 18:30:03,929 INFO [main.py:643]
{rank 0/100} MD step = 170400 step time: 00:00:00.017793 Performance: 124.266 ns/day 0.193 hours/ns 7.191 steps/s 2023-04-07 18:30:18,246 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 170400 34080 50.069 -36225 5487.7 -41712 -41712 1.5414 1.5009 0.51132 2.7235e+05 2023-04-07 18:30:20,052 INFO [main.py:643]
{rank 0/100} MD step = 170500 step time: 00:00:00.018050 Performance: 124.254 ns/day 0.193 hours/ns 7.191 steps/s 2023-04-07 18:30:42,094 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 170500 34100 50.422 -36186 5526.3 -41712 -41712 1.5421 1.5004 0.5098 2.7253e+05 2023-04-07 18:30:43,946 INFO [main.py:643]
{rank 0/100} MD step = 170600 step time: 00:00:00.018061 Performance: 124.202 ns/day 0.193 hours/ns 7.188 steps/s 2023-04-07 18:30:53,902 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 170600 34120 49.632 -36310 5439.8 -41750 -41750 1.544 1.5 0.50951 2.7268e+05 2023-04-07 18:30:55,702 INFO [main.py:643]
{rank 0/100} MD step = 170700 step time: 00:00:00.017924 Performance: 124.213 ns/day 0.193 hours/ns 7.188 steps/s 2023-04-07 18:31:04,106 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 170700 34140 49.428 -36344 5417.4 -41762 -41762 1.5454 1.5008 0.51014 2.7282e+05 2023-04-07 18:31:06,464 INFO [main.py:643]
{rank 0/100} MD step = 170800 step time: 00:00:00.018039 Performance: 124.230 ns/day 0.193 hours/ns 7.189 steps/s 2023-04-07 18:31:20,054 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 170800 34160 50.2 -36114 5502 -41616 -41616 1.5462 1.502 0.51201 2.73e+05 2023-04-07 18:31:22,491 INFO [main.py:643]
{rank 0/100} MD step = 170900 step time: 00:00:00.017939 Performance: 124.219 ns/day 0.193 hours/ns 7.189 steps/s 2023-04-07 18:31:33,675 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 170900 34180 49.826 -36250 5461 -41711 -41711 1.5483 1.5018 0.51306 2.7314e+05 2023-04-07 18:31:35,549 INFO [main.py:643]
{rank 0/100} MD step = 171000 step time: 00:00:00.017983 Performance: 124.223 ns/day 0.193 hours/ns 7.189 steps/s 2023-04-07 18:31:49,313 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 171000 34200 50 -36196 5480.1 -41677 -41677 1.549 1.5004 0.515 2.7328e+05 2023-04-07 18:31:59,760 INFO [main.py:643]
{rank 0/100} MD step = 171100 step time: 00:00:00.018055 Performance: 124.170 ns/day 0.193 hours/ns 7.186 steps/s 2023-04-07 18:32:08,976 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 171100 34220 50.075 -36199 5488.3 -41687 -41687 1.5516 1.5014 0.51588 2.7345e+05 2023-04-07 18:32:10,779 INFO [main.py:643]
{rank 0/100} MD step = 171200 step time: 00:00:00.017837 Performance: 124.185 ns/day 0.193 hours/ns 7.187 steps/s 2023-04-07 18:32:19,604 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 171200 34240 49.636 -36278 5440.2 -41718 -41718 1.5542 1.5009 0.51622 2.7361e+05 2023-04-07 18:32:21,956 INFO [main.py:643]
{rank 0/100} MD step = 171300 step time: 00:00:00.017991 Performance: 124.199 ns/day 0.193 hours/ns 7.187 steps/s 2023-04-07 18:32:30,673 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 171300 34260 50.006 -36149 5480.8 -41629 -41629 1.5533 1.5016 0.51602 2.7381e+05 2023-04-07 18:32:32,533 INFO [main.py:643]
{rank 0/100} MD step = 171400 step time: 00:00:00.018002 Performance: 124.216 ns/day 0.193 hours/ns 7.188 steps/s 2023-04-07 18:32:41,043 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 171400 34280 50.154 -36188 5496.9 -41685 -41685 1.5552 1.5038 0.51719 2.7397e+05 2023-04-07 18:32:42,884 INFO [main.py:643]
{rank 0/100} MD step = 171500 step time: 00:00:00.018068 Performance: 124.235 ns/day 0.193 hours/ns 7.190 steps/s 2023-04-07 18:32:59,943 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 171500 34300 49.95 -36240 5474.5 -41714 -41714 1.5585 1.5045 0.51813 2.7414e+05 2023-04-07 18:33:10,556 INFO [main.py:643]
{rank 0/100} MD step = 171600 step time: 00:00:00.017904 Performance: 124.163 ns/day 0.193 hours/ns 7.185 steps/s 2023-04-07 18:33:15,405 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 171600 34320 49.506 -36341 5425.9 -41767 -41767 1.5602 1.505 0.51788 2.743e+05 2023-04-07 18:33:17,227 INFO [main.py:643]
{rank 0/100} MD step = 171700 step time: 00:00:00.017947 Performance: 124.201 ns/day 0.193 hours/ns 7.188 steps/s 2023-04-07 18:33:25,740 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 171700 34340 49.856 -36291 5464.3 -41756 -41756 1.5646 1.5057 0.52041 2.7446e+05 2023-04-07 18:33:32,078 INFO [main.py:643]
{rank 0/100} MD step = 171800 step time: 00:00:00.017890 Performance: 124.196 ns/day 0.193 hours/ns 7.187 steps/s 2023-04-07 18:34:06,504 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 171800 34360 49.984 -36233 5478.4 -41711 -41711 1.5664 1.507 0.52161 2.7467e+05 2023-04-07 18:34:08,397 INFO [main.py:643]
{rank 0/100} MD step = 171900 step time: 00:00:00.018249 Performance: 124.080 ns/day 0.193 hours/ns 7.181 steps/s 2023-04-07 18:34:19,616 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 171900 34380 49.991 -36245 5479.1 -41724 -41724 1.567 1.5077 0.52094 2.7484e+05 2023-04-07 18:34:21,505 INFO [main.py:643]
{rank 0/100} MD step = 172000 step time: 00:00:00.018025 Performance: 124.084 ns/day 0.193 hours/ns 7.181 steps/s 2023-04-07 18:34:34,853 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 172000 34400 49.315 -36202 5405 -41607 -41607 1.5684 1.5104 0.52211 2.7497e+05 2023-04-07 18:34:40,626 INFO [main.py:643]
{rank 0/100} MD step = 172100 step time: 00:00:00.017931 Performance: 124.057 ns/day 0.193 hours/ns 7.179 steps/s 2023-04-07 18:34:42,811 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 172100 34420 48.976 -36268 5367.9 -41636 -41636 1.5713 1.5098 0.52208 2.7513e+05 2023-04-07 18:34:44,713 INFO [main.py:643]
{rank 0/100} MD step = 172200 step time: 00:00:00.017983 Performance: 124.108 ns/day 0.193 hours/ns 7.182 steps/s 2023-04-07 18:34:54,210 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 172200 34440 50.054 -36206 5485.9 -41691 -41691 1.572 1.5094 0.52334 2.7528e+05 2023-04-07 18:34:56,097 INFO [main.py:643]
{rank 0/100} MD step = 172300 step time: 00:00:00.018035 Performance: 124.121 ns/day 0.193 hours/ns 7.183 steps/s 2023-04-07 18:35:22,059 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 172300 34460 49.833 -36328 5461.7 -41790 -41790 1.5722 1.5131 0.52342 2.7546e+05 2023-04-07 18:35:23,963 INFO [main.py:643]
{rank 0/100} MD step = 172400 step time: 00:00:00.018173 Performance: 124.049 ns/day 0.193 hours/ns 7.179 steps/s 2023-04-07 18:35:32,421 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 172400 34480 49.701 -36249 5447.3 -41696 -41696 1.5734 1.5131 0.52392 2.7564e+05 2023-04-07 18:35:34,606 INFO [main.py:643]
{rank 0/100} MD step = 172500 step time: 00:00:00.017870 Performance: 124.066 ns/day 0.193 hours/ns 7.180 steps/s 2023-04-07 18:35:39,294 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 172500 34500 50.143 -36101 5495.7 -41597 -41597 1.5733 1.5149 0.52392 2.7579e+05 2023-04-07 18:35:41,178 INFO [main.py:643]
{rank 0/100} MD step = 172600 step time: 00:00:00.018006 Performance: 124.104 ns/day 0.193 hours/ns 7.182 steps/s 2023-04-07 18:35:49,840 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 172600 34520 49.626 -36274 5439.1 -41713 -41713 1.5722 1.5161 0.52432 2.7593e+05 2023-04-07 18:35:51,806 INFO [main.py:643]
{rank 0/100} MD step = 172700 step time: 00:00:00.018110 Performance: 124.121 ns/day 0.193 hours/ns 7.183 steps/s 2023-04-07 18:36:00,541 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 172700 34540 50.571 -36146 5542.7 -41689 -41689 1.578 1.5168 0.52411 2.761e+05 2023-04-07 18:36:06,620 INFO [main.py:643]
{rank 0/100} MD step = 172800 step time: 00:00:00.017790 Performance: 124.117 ns/day 0.193 hours/ns 7.183 steps/s 2023-04-07 18:36:14,032 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 172800 34560 50.513 -36135 5536.2 -41671 -41671 1.58 1.5194 0.52521 2.7627e+05 2023-04-07 18:36:16,017 INFO [main.py:643]
{rank 0/100} MD step = 172900 step time: 00:00:00.018008 Performance: 124.140 ns/day 0.193 hours/ns 7.184 steps/s 2023-04-07 18:36:22,101 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 172900 34580 50.009 -36204 5481.1 -41685 -41685 1.5798 1.5224 0.52482 2.7644e+05 2023-04-07 18:36:23,993 INFO [main.py:643]
{rank 0/100} MD step = 173000 step time: 00:00:00.018086 Performance: 124.171 ns/day 0.193 hours/ns 7.186 steps/s 2023-04-07 18:36:37,248 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 173000 34600 49.481 -36274 5423.2 -41697 -41697 1.5825 1.5234 0.52582 2.7659e+05 2023-04-07 18:36:39,287 INFO [main.py:643]
{rank 0/100} MD step = 173100 step time: 00:00:00.018025 Performance: 124.163 ns/day 0.193 hours/ns 7.185 steps/s 2023-04-07 18:36:51,880 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 173100 34620 50.05 -36236 5485.5 -41722 -41722 1.5846 1.5241 0.52671 2.7673e+05 2023-04-07 18:36:53,756 INFO [main.py:643]
{rank 0/100} MD step = 173200 step time: 00:00:00.018101 Performance: 124.161 ns/day 0.193 hours/ns 7.185 steps/s 2023-04-07 18:37:03,095 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 173200 34640 50.331 -36106 5516.4 -41622 -41622 1.5844 1.5258 0.52882 2.7689e+05 2023-04-07 18:37:05,023 INFO [main.py:643]
{rank 0/100} MD step = 173300 step time: 00:00:00.017982 Performance: 124.174 ns/day 0.193 hours/ns 7.186 steps/s 2023-04-07 18:37:30,895 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 173300 34660 50.626 -36171 5548.7 -41719 -41719 1.5825 1.5265 0.52964 2.7705e+05 2023-04-07 18:37:32,847 INFO [main.py:643]
{rank 0/100} MD step = 173400 step time: 00:00:00.018057 Performance: 124.103 ns/day 0.193 hours/ns 7.182 steps/s 2023-04-07 18:37:42,121 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 173400 34680 49.856 -36218 5464.3 -41682 -41682 1.5864 1.5266 0.52993 2.7721e+05 2023-04-07 18:37:44,087 INFO [main.py:643]
{rank 0/100} MD step = 173500 step time: 00:00:00.017913 Performance: 124.116 ns/day 0.193 hours/ns 7.183 steps/s 2023-04-07 18:37:47,930 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 173500 34700 50.223 -36167 5504.5 -41672 -41672 1.5883 1.5283 0.52946 2.7735e+05 2023-04-07 18:37:49,791 INFO [main.py:643]
{rank 0/100} MD step = 173600 step time: 00:00:00.018048 Performance: 124.159 ns/day 0.193 hours/ns 7.185 steps/s 2023-04-07 18:37:58,980 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 173600 34720 50.523 -36160 5537.3 -41698 -41698 1.5922 1.529 0.52975 2.7752e+05 2023-04-07 18:38:00,847 INFO [main.py:643]
{rank 0/100} MD step = 173700 step time: 00:00:00.017937 Performance: 124.173 ns/day 0.193 hours/ns 7.186 steps/s 2023-04-07 18:38:13,856 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 173700 34740 49.856 -36129 5464.3 -41593 -41593 1.5969 1.5303 0.52854 2.7769e+05 2023-04-07 18:38:15,859 INFO [main.py:643]
{rank 0/100} MD step = 173800 step time: 00:00:00.017874 Performance: 124.168 ns/day 0.193 hours/ns 7.186 steps/s 2023-04-07 18:38:38,256 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 173800 34760 50.879 -36112 5576.4 -41689 -41689 1.5991 1.5315 0.53057 2.7783e+05 2023-04-07 18:38:40,271 INFO [main.py:643]
{rank 0/100} MD step = 173900 step time: 00:00:00.017957 Performance: 124.114 ns/day 0.193 hours/ns 7.183 steps/s 2023-04-07 18:38:43,571 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 173900 34780 49.36 -36287 5410 -41697 -41697 1.6008 1.5322 0.52999 2.7799e+05 2023-04-07 18:38:45,943 INFO [main.py:643]
{rank 0/100} MD step = 174000 step time: 00:00:00.018029 Performance: 124.156 ns/day 0.193 hours/ns 7.185 steps/s 2023-04-07 18:38:50,116 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 174000 34800 49.75 -36216 5452.6 -41668 -41668 1.6018 1.5333 0.52812 2.7817e+05 2023-04-07 18:38:52,016 INFO [main.py:643]
{rank 0/100} MD step = 174100 step time: 00:00:00.018008 Performance: 124.196 ns/day 0.193 hours/ns 7.187 steps/s 2023-04-07 18:39:01,333 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 174100 34820 50.293 -36244 5512.1 -41756 -41756 1.6009 1.5329 0.52816 2.7831e+05 2023-04-07 18:39:03,196 INFO [main.py:643]
{rank 0/100} MD step = 174200 step time: 00:00:00.018196 Performance: 124.210 ns/day 0.193 hours/ns 7.188 steps/s 2023-04-07 18:39:04,764 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 174200 34840 49.246 -36288 5397.5 -41686 -41686 1.6046 1.5322 0.5293 2.7847e+05 2023-04-07 18:39:06,700 INFO [main.py:643]
{rank 0/100} MD step = 174300 step time: 00:00:00.018085 Performance: 124.264 ns/day 0.193 hours/ns 7.191 steps/s 2023-04-07 18:39:07,823 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 174300 34860 50.246 -36202 5507 -41709 -41709 1.6044 1.5331 0.53074 2.7862e+05 2023-04-07 18:39:09,763 INFO [main.py:643]
{rank 0/100} MD step = 174400 step time: 00:00:00.018045 Performance: 124.319 ns/day 0.193 hours/ns 7.194 steps/s 2023-04-07 18:39:19,110 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 174400 34880 50.928 -36145 5581.8 -41727 -41727 1.6016 1.534 0.53185 2.7874e+05 2023-04-07 18:39:20,952 INFO [main.py:643]
{rank 0/100} MD step = 174500 step time: 00:00:00.018111 Performance: 124.333 ns/day 0.193 hours/ns 7.195 steps/s 2023-04-07 18:39:26,542 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 174500 34900 49.426 -36251 5417.2 -41668 -41668 1.601 1.5354 0.53157 2.7892e+05 2023-04-07 18:39:28,404 INFO [main.py:643]
{rank 0/100} MD step = 174600 step time: 00:00:00.018076 Performance: 124.366 ns/day 0.193 hours/ns 7.197 steps/s 2023-04-07 18:39:39,948 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 174600 34920 50.057 -36249 5486.3 -41735 -41735 1.6019 1.5363 0.53256 2.7907e+05 2023-04-07 18:39:41,887 INFO [main.py:643]
{rank 0/100} MD step = 174700 step time: 00:00:00.018010 Performance: 124.368 ns/day 0.193 hours/ns 7.197 steps/s 2023-04-07 18:39:50,685 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 174700 34940 50.325 -36194 5515.7 -41710 -41710 1.6037 1.5367 0.53141 2.7924e+05 2023-04-07 18:39:56,513 INFO [main.py:643]
{rank 0/100} MD step = 174800 step time: 00:00:00.018105 Performance: 124.365 ns/day 0.193 hours/ns 7.197 steps/s 2023-04-07 18:40:06,044 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 174800 34960 49.429 -36342 5417.5 -41760 -41760 1.6054 1.5366 0.53108 2.794e+05 2023-04-07 18:40:07,953 INFO [main.py:643]
{rank 0/100} MD step = 174900 step time: 00:00:00.018136 Performance: 124.377 ns/day 0.193 hours/ns 7.198 steps/s 2023-04-07 18:40:16,068 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 174900 34980 49.535 -36215 5429.1 -41644 -41644 1.6052 1.5373 0.53058 2.7958e+05 2023-04-07 18:40:18,184 INFO [main.py:643]
{rank 0/100} MD step = 175000 step time: 00:00:00.018052 Performance: 124.396 ns/day 0.193 hours/ns 7.199 steps/s 2023-04-07 18:40:26,642 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 175000 35000 49.774 -36092 5455.3 -41547 -41547 1.6079 1.5389 0.53039 2.7977e+05 2023-04-07 18:40:28,692 INFO [main.py:643]
{rank 0/100} MD step = 175100 step time: 00:00:00.018085 Performance: 124.413 ns/day 0.193 hours/ns 7.200 steps/s 2023-04-07 18:40:41,891 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 175100 35020 49.762 -36222 5454 -41676 -41676 1.6081 1.5396 0.52936 2.7994e+05 2023-04-07 18:40:43,687 INFO [main.py:643]
{rank 0/100} MD step = 175200 step time: 00:00:00.017950 Performance: 124.408 ns/day 0.193 hours/ns 7.200 steps/s 2023-04-07 18:41:13,776 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 175200 35040 49.701 -36338 5447.3 -41785 -41785 1.6067 1.5394 0.52795 2.8008e+05 2023-04-07 18:41:19,858 INFO [main.py:643]
{rank 0/100} MD step = 175300 step time: 00:00:00.018004 Performance: 124.294 ns/day 0.193 hours/ns 7.193 steps/s 2023-04-07 18:41:30,969 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 175300 35060 50.096 -36230 5490.5 -41721 -41721 1.6067 1.5402 0.52832 2.8025e+05 2023-04-07 18:41:32,853 INFO [main.py:643]
{rank 0/100} MD step = 175400 step time: 00:00:00.018058 Performance: 124.298 ns/day 0.193 hours/ns 7.193 steps/s 2023-04-07 18:41:38,968 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 175400 35080 50.212 -36153 5503.3 -41657 -41657 1.6078 1.542 0.52647 2.8042e+05 2023-04-07 18:41:40,989 INFO [main.py:643]
{rank 0/100} MD step = 175500 step time: 00:00:00.017997 Performance: 124.328 ns/day 0.193 hours/ns 7.195 steps/s 2023-04-07 18:41:49,956 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 175500 35100 49.843 -36202 5462.9 -41665 -41665 1.6109 1.5412 0.52697 2.8058e+05 2023-04-07 18:41:51,908 INFO [main.py:643]
{rank 0/100} MD step = 175600 step time: 00:00:00.017973 Performance: 124.343 ns/day 0.193 hours/ns 7.196 steps/s 2023-04-07 18:42:12,046 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 175600 35120 49.821 -36301 5460.4 -41761 -41761 1.6125 1.5417 0.52633 2.8074e+05 2023-04-07 18:42:14,158 INFO [main.py:643]
{rank 0/100} MD step = 175700 step time: 00:00:00.018079 Performance: 124.301 ns/day 0.193 hours/ns 7.193 steps/s 2023-04-07 18:42:21,322 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 175700 35140 50.008 -36185 5480.9 -41665 -41665 1.6128 1.5423 0.52464 2.8093e+05 2023-04-07 18:42:23,312 INFO [main.py:643]
{rank 0/100} MD step = 175800 step time: 00:00:00.019205 Performance: 124.325 ns/day 0.193 hours/ns 7.195 steps/s 2023-04-07 18:42:24,563 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 175800 35160 49.821 -36218 5460.4 -41679 -41679 1.6138 1.5438 0.52522 2.8108e+05 2023-04-07 18:42:26,387 INFO [main.py:643]
{rank 0/100} MD step = 175900 step time: 00:00:00.017987 Performance: 124.380 ns/day 0.193 hours/ns 7.198 steps/s 2023-04-07 18:42:44,129 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 175900 35180 49.93 -36219 5472.3 -41692 -41692 1.6145 1.546 0.52507 2.8125e+05 2023-04-07 18:42:46,056 INFO [main.py:643]
{rank 0/100} MD step = 176000 step time: 00:00:00.017961 Performance: 124.350 ns/day 0.193 hours/ns 7.196 steps/s 2023-04-07 18:42:55,505 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 176000 35200 49.794 -36258 5457.5 -41716 -41716 1.6159 1.5477 0.52498 2.8139e+05 2023-04-07 18:42:57,357 INFO [main.py:643]
{rank 0/100} MD step = 176100 step time: 00:00:00.018109 Performance: 124.364 ns/day 0.193 hours/ns 7.197 steps/s 2023-04-07 18:43:04,554 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 176100 35220 50.112 -36129 5492.3 -41622 -41622 1.6193 1.5471 0.52406 2.8158e+05 2023-04-07 18:43:06,462 INFO [main.py:643]
{rank 0/100} MD step = 176200 step time: 00:00:00.018268 Performance: 124.388 ns/day 0.193 hours/ns 7.198 steps/s 2023-04-07 18:43:18,501 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 176200 35240 49.333 -36193 5406.9 -41600 -41600 1.6224 1.5492 0.52426 2.8176e+05 2023-04-07 18:43:20,399 INFO [main.py:643]
{rank 0/100} MD step = 176300 step time: 00:00:00.017951 Performance: 124.388 ns/day 0.193 hours/ns 7.198 steps/s 2023-04-07 18:43:29,392 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 176300 35260 50.074 -36217 5488.1 -41705 -41705 1.624 1.5501 0.52558 2.8191e+05 2023-04-07 18:43:31,175 INFO [main.py:643]
{rank 0/100} MD step = 176400 step time: 00:00:00.018159 Performance: 124.403 ns/day 0.193 hours/ns 7.199 steps/s 2023-04-07 18:43:36,217 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 176400 35280 50.011 -36158 5481.2 -41639 -41639 1.6248 1.5503 0.528 2.8208e+05 2023-04-07 18:43:38,483 INFO [main.py:643]
{rank 0/100} MD step = 176500 step time: 00:00:00.017961 Performance: 124.437 ns/day 0.193 hours/ns 7.201 steps/s 2023-04-07 18:43:55,475 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 176500 35300 50.473 -36199 5531.9 -41731 -41731 1.6255 1.551 0.52803 2.8225e+05 2023-04-07 18:43:57,330 INFO [main.py:643]
{rank 0/100} MD step = 176600 step time: 00:00:00.018168 Performance: 124.412 ns/day 0.193 hours/ns 7.200 steps/s 2023-04-07 18:44:10,225 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 176600 35320 50.498 -36308 5534.7 -41843 -41843 1.6297 1.5532 0.52809 2.8238e+05 2023-04-07 18:44:12,066 INFO [main.py:643]
{rank 0/100} MD step = 176700 step time: 00:00:00.018057 Performance: 124.407 ns/day 0.193 hours/ns 7.200 steps/s 2023-04-07 18:44:16,477 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 176700 35340 50.264 -36044 5509 -41553 -41553 1.6298 1.5548 0.52875 2.8258e+05 2023-04-07 18:44:18,443 INFO [main.py:643]
{rank 0/100} MD step = 176800 step time: 00:00:00.018235 Performance: 124.446 ns/day 0.193 hours/ns 7.202 steps/s 2023-04-07 18:44:31,561 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 176800 35360 49.817 -36205 5460 -41665 -41665 1.6292 1.5553 0.52959 2.8271e+05 2023-04-07 18:44:33,490 INFO [main.py:643]
{rank 0/100} MD step = 176900 step time: 00:00:00.017942 Performance: 124.440 ns/day 0.193 hours/ns 7.201 steps/s 2023-04-07 18:44:55,229 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 176900 35380 50.531 -36197 5538.2 -41735 -41735 1.6307 1.5545 0.53062 2.8284e+05 2023-04-07 18:44:57,097 INFO [main.py:643]
{rank 0/100} MD step = 177000 step time: 00:00:00.018177 Performance: 124.390 ns/day 0.193 hours/ns 7.199 steps/s 2023-04-07 18:44:58,285 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 177000 35400 50.113 -36123 5492.4 -41615 -41615 1.6333 1.5545 0.53108 2.8302e+05 2023-04-07 18:45:00,155 INFO [main.py:643]
{rank 0/100} MD step = 177100 step time: 00:00:00.018457 Performance: 124.445 ns/day 0.193 hours/ns 7.202 steps/s 2023-04-07 18:45:08,389 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 177100 35420 49.836 -36091 5462.1 -41553 -41553 1.6333 1.5551 0.5296 2.8321e+05 2023-04-07 18:45:10,223 INFO [main.py:643]
{rank 0/100} MD step = 177200 step time: 00:00:00.017979 Performance: 124.465 ns/day 0.193 hours/ns 7.203 steps/s 2023-04-07 18:45:19,316 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 177200 35440 49.555 -36289 5431.3 -41720 -41720 1.6328 1.5553 0.53032 2.8333e+05 2023-04-07 18:45:21,121 INFO [main.py:643]
{rank 0/100} MD step = 177300 step time: 00:00:00.017990 Performance: 124.480 ns/day 0.193 hours/ns 7.204 steps/s 2023-04-07 18:45:38,419 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 177300 35460 49.519 -36257 5427.4 -41684 -41684 1.6343 1.5551 0.53018 2.8349e+05 2023-04-07 18:45:40,371 INFO [main.py:643]
{rank 0/100} MD step = 177400 step time: 00:00:00.018001 Performance: 124.453 ns/day 0.193 hours/ns 7.202 steps/s 2023-04-07 18:45:53,024 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 177400 35480 49.836 -36110 5462.1 -41572 -41572 1.6344 1.5558 0.53163 2.8368e+05 2023-04-07 18:45:59,098 INFO [main.py:643]
{rank 0/100} MD step = 177500 step time: 00:00:00.018158 Performance: 124.428 ns/day 0.193 hours/ns 7.201 steps/s 2023-04-07 18:46:15,183 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 177500 35500 49.906 -36210 5469.8 -41679 -41679 1.6354 1.5567 0.53106 2.8382e+05 2023-04-07 18:46:17,022 INFO [main.py:643]
{rank 0/100} MD step = 177600 step time: 00:00:00.019558 Performance: 124.408 ns/day 0.193 hours/ns 7.200 steps/s 2023-04-07 18:46:21,436 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 177600 35520 49.41 -36262 5415.4 -41677 -41677 1.6373 1.5566 0.53026 2.8398e+05 2023-04-07 18:46:23,316 INFO [main.py:643]
{rank 0/100} MD step = 177700 step time: 00:00:00.017848 Performance: 124.446 ns/day 0.193 hours/ns 7.202 steps/s 2023-04-07 18:46:27,587 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 177700 35540 50.761 -36190 5563.4 -41754 -41754 1.638 1.5582 0.52851 2.8416e+05 2023-04-07 18:46:29,454 INFO [main.py:643]
{rank 0/100} MD step = 177800 step time: 00:00:00.017984 Performance: 124.485 ns/day 0.193 hours/ns 7.204 steps/s 2023-04-07 18:46:34,848 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 177800 35560 50.024 -36238 5482.7 -41721 -41721 1.6414 1.5589 0.52948 2.8433e+05 2023-04-07 18:46:36,703 INFO [main.py:643]
{rank 0/100} MD step = 177900 step time: 00:00:00.017987 Performance: 124.519 ns/day 0.193 hours/ns 7.206 steps/s 2023-04-07 18:46:41,047 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 177900 35580 50.374 -36102 5521.1 -41623 -41623 1.6449 1.5607 0.52875 2.8449e+05 2023-04-07 18:46:42,951 INFO [main.py:643]
{rank 0/100} MD step = 178000 step time: 00:00:00.018047 Performance: 124.557 ns/day 0.193 hours/ns 7.208 steps/s 2023-04-07 18:46:47,770 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 178000 35600 50.802 -36194 5567.9 -41762 -41762 1.6463 1.5616 0.52995 2.8463e+05 2023-04-07 18:46:49,669 INFO [main.py:643]
{rank 0/100} MD step = 178100 step time: 00:00:00.017988 Performance: 124.593 ns/day 0.193 hours/ns 7.210 steps/s 2023-04-07 18:47:02,019 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 178100 35620 50.01 -36215 5481.2 -41696 -41696 1.6462 1.5632 0.53188 2.848e+05 2023-04-07 18:47:03,855 INFO [main.py:643]
{rank 0/100} MD step = 178200 step time: 00:00:00.017801 Performance: 124.591 ns/day 0.193 hours/ns 7.210 steps/s 2023-04-07 18:47:05,324 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 178200 35640 49.679 -36261 5444.9 -41706 -41706 1.6484 1.5623 0.53165 2.8498e+05 2023-04-07 18:47:07,140 INFO [main.py:643]
{rank 0/100} MD step = 178300 step time: 00:00:00.018099 Performance: 124.645 ns/day 0.193 hours/ns 7.213 steps/s 2023-04-07 18:47:11,117 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 178300 35660 50.35 -36166 5518.4 -41685 -41685 1.6487 1.5617 0.53184 2.8513e+05 2023-04-07 18:47:13,000 INFO [main.py:643]
{rank 0/100} MD step = 178400 step time: 00:00:00.017998 Performance: 124.685 ns/day 0.192 hours/ns 7.216 steps/s 2023-04-07 18:47:17,421 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 178400 35680 49.505 -36230 5425.8 -41656 -41656 1.6482 1.5637 0.53166 2.853e+05 2023-04-07 18:47:19,395 INFO [main.py:643]
{rank 0/100} MD step = 178500 step time: 00:00:00.018168 Performance: 124.723 ns/day 0.192 hours/ns 7.218 steps/s 2023-04-07 18:47:24,359 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 178500 35700 49.449 -36336 5419.7 -41756 -41756 1.6501 1.5653 0.53187 2.8545e+05 2023-04-07 18:47:26,387 INFO [main.py:643]
{rank 0/100} MD step = 178600 step time: 00:00:00.017981 Performance: 124.757 ns/day 0.192 hours/ns 7.220 steps/s 2023-04-07 18:47:30,233 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 178600 35720 49.909 -36264 5470.1 -41734 -41734 1.653 1.5654 0.53302 2.856e+05 2023-04-07 18:47:32,494 INFO [main.py:643]
{rank 0/100} MD step = 178700 step time: 00:00:00.018164 Performance: 124.796 ns/day 0.192 hours/ns 7.222 steps/s 2023-04-07 18:47:40,812 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 178700 35740 49.4 -36132 5414.3 -41546 -41546 1.6555 1.5676 0.53323 2.8577e+05 2023-04-07 18:47:42,744 INFO [main.py:643]
{rank 0/100} MD step = 178800 step time: 00:00:00.018078 Performance: 124.815 ns/day 0.192 hours/ns 7.223 steps/s 2023-04-07 18:47:46,799 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 178800 35760 50.422 -36181 5526.4 -41707 -41707 1.6551 1.5694 0.53384 2.8591e+05 2023-04-07 18:47:48,702 INFO [main.py:643]
{rank 0/100} MD step = 178900 step time: 00:00:00.017887 Performance: 124.854 ns/day 0.192 hours/ns 7.225 steps/s 2023-04-07 18:48:06,663 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 178900 35780 50.254 -36198 5507.9 -41706 -41706 1.6564 1.5703 0.53298 2.8611e+05 2023-04-07 18:48:08,486 INFO [main.py:643]
{rank 0/100} MD step = 179000 step time: 00:00:00.018016 Performance: 124.824 ns/day 0.192 hours/ns 7.224 steps/s 2023-04-07 18:48:25,956 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 179000 35800 50.28 -36238 5510.8 -41749 -41749 1.6586 1.5702 0.53308 2.8627e+05 2023-04-07 18:48:27,814 INFO [main.py:643]
{rank 0/100} MD step = 179100 step time: 00:00:00.018103 Performance: 124.797 ns/day 0.192 hours/ns 7.222 steps/s 2023-04-07 18:48:34,449 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 179100 35820 49.582 -36241 5434.2 -41675 -41675 1.6587 1.5705 0.53359 2.8641e+05 2023-04-07 18:48:36,361 INFO [main.py:643]
{rank 0/100} MD step = 179200 step time: 00:00:00.017988 Performance: 124.823 ns/day 0.192 hours/ns 7.224 steps/s 2023-04-07 18:48:49,804 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 179200 35840 49.374 -36336 5411.4 -41747 -41747 1.6597 1.5726 0.5319 2.8657e+05 2023-04-07 18:48:51,685 INFO [main.py:643]
{rank 0/100} MD step = 179300 step time: 00:00:00.018183 Performance: 124.816 ns/day 0.192 hours/ns 7.223 steps/s 2023-04-07 18:49:05,312 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 179300 35860 49.931 -36199 5472.5 -41672 -41672 1.6634 1.5733 0.53215 2.8675e+05 2023-04-07 18:49:07,167 INFO [main.py:643]
{rank 0/100} MD step = 179400 step time: 00:00:00.018307 Performance: 124.808 ns/day 0.192 hours/ns 7.223 steps/s 2023-04-07 18:49:12,888 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 179400 35880 49.212 -36323 5393.7 -41716 -41716 1.6646 1.5733 0.53176 2.8689e+05 2023-04-07 18:49:14,774 INFO [main.py:643]
{rank 0/100} MD step = 179500 step time: 00:00:00.018035 Performance: 124.839 ns/day 0.192 hours/ns 7.224 steps/s 2023-04-07 18:49:16,037 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 179500 35900 50.082 -36218 5489 -41707 -41707 1.6653 1.5755 0.5323 2.8708e+05 2023-04-07 18:49:17,994 INFO [main.py:643]
{rank 0/100} MD step = 179600 step time: 00:00:00.018030 Performance: 124.892 ns/day 0.192 hours/ns 7.228 steps/s 2023-04-07 18:49:26,292 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 179600 35920 51.022 -36074 5592 -41666 -41666 1.6669 1.576 0.53426 2.8725e+05 2023-04-07 18:49:28,140 INFO [main.py:643]
{rank 0/100} MD step = 179700 step time: 00:00:00.017976 Performance: 124.911 ns/day 0.192 hours/ns 7.229 steps/s 2023-04-07 18:49:44,820 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 179700 35940 50.435 -36127 5527.7 -41655 -41655 1.6676 1.577 0.53334 2.8742e+05 2023-04-07 18:49:46,709 INFO [main.py:643]
{rank 0/100} MD step = 179800 step time: 00:00:00.018177 Performance: 124.887 ns/day 0.192 hours/ns 7.227 steps/s 2023-04-07 18:49:50,225 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 179800 35960 50.215 -36249 5503.6 -41753 -41753 1.6655 1.5775 0.5324 2.8757e+05 2023-04-07 18:49:52,020 INFO [main.py:643]
{rank 0/100} MD step = 179900 step time: 00:00:00.018051 Performance: 124.930 ns/day 0.192 hours/ns 7.230 steps/s 2023-04-07 18:49:53,081 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 179900 35980 49.455 -36212 5420.3 -41632 -41632 1.6662 1.5783 0.53243 2.8773e+05 2023-04-07 18:49:54,987 INFO [main.py:643]
{rank 0/100} MD step = 180000 step time: 00:00:00.017953 Performance: 124.985 ns/day 0.192 hours/ns 7.233 steps/s 2023-04-07 18:50:04,681 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 180000 36000 49.099 -36379 5381.3 -41761 -41761 1.6652 1.5791 0.5326 2.8788e+05 2023-04-07 18:50:06,482 INFO [main.py:643]
{rank 0/100} MD step = 180100 step time: 00:00:00.017946 Performance: 124.996 ns/day 0.192 hours/ns 7.234 steps/s 2023-04-07 18:50:28,647 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 180100 36020 49.531 -36293 5428.6 -41721 -41721 1.6635 1.5805 0.53374 2.8806e+05 2023-04-07 18:50:30,565 INFO [main.py:643]
{rank 0/100} MD step = 180200 step time: 00:00:00.017953 Performance: 124.945 ns/day 0.192 hours/ns 7.231 steps/s 2023-04-07 18:50:55,941 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 180200 36040 50.308 -36178 5513.8 -41692 -41692 1.6657 1.5808 0.53553 2.882e+05 2023-04-07 18:50:57,892 INFO [main.py:643]
{rank 0/100} MD step = 180300 step time: 00:00:00.021069 Performance: 124.877 ns/day 0.192 hours/ns 7.227 steps/s 2023-04-07 18:51:20,269 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 180300 36060 49.211 -36313 5393.6 -41706 -41706 1.6669 1.5825 0.53552 2.8836e+05 2023-04-07 18:51:22,235 INFO [main.py:643]
{rank 0/100} MD step = 180400 step time: 00:00:00.017950 Performance: 124.825 ns/day 0.192 hours/ns 7.224 steps/s 2023-04-07 18:51:34,569 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 180400 36080 49.775 -36151 5455.4 -41607 -41607 1.6697 1.5821 0.53636 2.8853e+05 2023-04-07 18:51:36,443 INFO [main.py:643]
{rank 0/100} MD step = 180500 step time: 00:00:00.018065 Performance: 124.823 ns/day 0.192 hours/ns 7.224 steps/s 2023-04-07 18:51:58,465 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 180500 36100 49.583 -36336 5434.3 -41770 -41770 1.6712 1.585 0.53565 2.8869e+05 2023-04-07 18:52:04,278 INFO [main.py:643]
{rank 0/100} MD step = 180600 step time: 00:00:00.017870 Performance: 124.753 ns/day 0.192 hours/ns 7.220 steps/s 2023-04-07 18:52:13,655 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 180600 36120 50.008 -36190 5480.9 -41671 -41671 1.675 1.5853 0.53513 2.8887e+05 2023-04-07 18:52:15,635 INFO [main.py:643]
{rank 0/100} MD step = 180700 step time: 00:00:00.017930 Performance: 124.765 ns/day 0.192 hours/ns 7.220 steps/s 2023-04-07 18:52:20,374 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 180700 36140 49.727 -36278 5450.2 -41728 -41728 1.6757 1.5867 0.53666 2.8902e+05 2023-04-07 18:52:22,214 INFO [main.py:643]
{rank 0/100} MD step = 180800 step time: 00:00:00.018055 Performance: 124.802 ns/day 0.192 hours/ns 7.222 steps/s 2023-04-07 18:52:26,939 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 180800 36160 50.139 -36153 5495.3 -41648 -41648 1.6789 1.5882 0.53644 2.8921e+05 2023-04-07 18:52:28,836 INFO [main.py:643]
{rank 0/100} MD step = 180900 step time: 00:00:00.018034 Performance: 124.838 ns/day 0.192 hours/ns 7.224 steps/s 2023-04-07 18:52:41,637 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 180900 36180 50.011 -36302 5481.2 -41783 -41783 1.6772 1.5894 0.5371 2.8934e+05 2023-04-07 18:52:43,482 INFO [main.py:643]
{rank 0/100} MD step = 181000 step time: 00:00:00.018099 Performance: 124.834 ns/day 0.192 hours/ns 7.224 steps/s 2023-04-07 18:52:47,504 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 181000 36200 50.663 -36196 5552.8 -41748 -41748 1.6789 1.5888 0.5375 2.8953e+05 2023-04-07 18:52:49,601 INFO [main.py:643]
{rank 0/100} MD step = 181100 step time: 00:00:00.018084 Performance: 124.872 ns/day 0.192 hours/ns 7.226 steps/s 2023-04-07 18:53:02,746 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 181100 36220 48.928 -36338 5362.6 -41700 -41700 1.6801 1.5892 0.53708 2.8968e+05 2023-04-07 18:53:04,682 INFO [main.py:643]
{rank 0/100} MD step = 181200 step time: 00:00:00.018098 Performance: 124.866 ns/day 0.192 hours/ns 7.226 steps/s 2023-04-07 18:53:22,683 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 181200 36240 49.99 -36167 5479 -41646 -41646 1.6789 1.5887 0.53794 2.8986e+05 2023-04-07 18:53:24,590 INFO [main.py:643]
{rank 0/100} MD step = 181300 step time: 00:00:00.018000 Performance: 124.836 ns/day 0.192 hours/ns 7.224 steps/s 2023-04-07 18:53:28,824 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 181300 36260 49.567 -36177 5432.6 -41609 -41609 1.6783 1.59 0.53618 2.9002e+05 2023-04-07 18:53:34,368 INFO [main.py:643]
{rank 0/100} MD step = 181400 step time: 00:00:00.017930 Performance: 124.856 ns/day 0.192 hours/ns 7.225 steps/s 2023-04-07 18:53:47,748 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 181400 36280 50.21 -36191 5503.1 -41694 -41694 1.6786 1.5907 0.53815 2.9019e+05 2023-04-07 18:53:49,616 INFO [main.py:643]
{rank 0/100} MD step = 181500 step time: 00:00:00.018182 Performance: 124.849 ns/day 0.192 hours/ns 7.225 steps/s 2023-04-07 18:53:58,510 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 181500 36300 50.917 -36104 5580.5 -41684 -41684 1.68 1.5911 0.53893 2.9032e+05 2023-04-07 18:54:08,677 INFO [main.py:643]
{rank 0/100} MD step = 181600 step time: 00:00:00.018372 Performance: 124.823 ns/day 0.192 hours/ns 7.224 steps/s 2023-04-07 18:54:30,533 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 181600 36320 50.456 -36192 5530.1 -41722 -41722 1.682 1.5932 0.53934 2.9049e+05 2023-04-07 18:54:32,421 INFO [main.py:643]
{rank 0/100} MD step = 181700 step time: 00:00:00.017998 Performance: 124.774 ns/day 0.192 hours/ns 7.221 steps/s 2023-04-07 18:54:41,418 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 181700 36340 49.945 -36375 5474 -41849 -41849 1.6845 1.5956 0.53954 2.9064e+05 2023-04-07 18:54:43,368 INFO [main.py:643]
{rank 0/100} MD step = 181800 step time: 00:00:00.018037 Performance: 124.788 ns/day 0.192 hours/ns 7.222 steps/s 2023-04-07 18:55:05,500 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 181800 36360 49.981 -36137 5478 -41615 -41615 1.686 1.5966 0.54103 2.9084e+05 2023-04-07 18:55:07,424 INFO [main.py:643]
{rank 0/100} MD step = 181900 step time: 00:00:00.018072 Performance: 124.738 ns/day 0.192 hours/ns 7.219 steps/s 2023-04-07 18:55:37,196 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 181900 36380 49.159 -36328 5387.9 -41716 -41716 1.6829 1.5976 0.5414 2.9097e+05 2023-04-07 18:55:39,225 INFO [main.py:643]
{rank 0/100} MD step = 182000 step time: 00:00:00.018008 Performance: 124.649 ns/day 0.193 hours/ns 7.213 steps/s 2023-04-07 18:55:44,185 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 182000 36400 50.624 -36068 5548.4 -41616 -41616 1.6852 1.5985 0.54129 2.9114e+05 2023-04-07 18:55:46,192 INFO [main.py:643]
{rank 0/100} MD step = 182100 step time: 00:00:00.018370 Performance: 124.683 ns/day 0.192 hours/ns 7.215 steps/s 2023-04-07 18:55:50,062 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 182100 36420 49.686 -36250 5445.7 -41695 -41695 1.6855 1.5985 0.54093 2.9129e+05 2023-04-07 18:55:51,907 INFO [main.py:643]
{rank 0/100} MD step = 182200 step time: 00:00:00.017960 Performance: 124.723 ns/day 0.192 hours/ns 7.218 steps/s 2023-04-07 18:56:03,133 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 182200 36440 50.401 -36048 5524 -41572 -41572 1.6858 1.601 0.54148 2.9147e+05 2023-04-07 18:56:05,135 INFO [main.py:643]
{rank 0/100} MD step = 182300 step time: 00:00:00.018043 Performance: 124.726 ns/day 0.192 hours/ns 7.218 steps/s 2023-04-07 18:56:15,796 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 182300 36460 50.658 -36129 5552.2 -41681 -41681 1.6891 1.602 0.54108 2.9164e+05 2023-04-07 18:56:18,222 INFO [main.py:643]
{rank 0/100} MD step = 182400 step time: 00:00:00.017938 Performance: 124.730 ns/day 0.192 hours/ns 7.218 steps/s 2023-04-07 18:56:27,247 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 182400 36480 49.633 -36307 5439.9 -41747 -41747 1.6929 1.6053 0.54155 2.9181e+05 2023-04-07 18:56:29,083 INFO [main.py:643]
{rank 0/100} MD step = 182500 step time: 00:00:00.017991 Performance: 124.745 ns/day 0.192 hours/ns 7.219 steps/s 2023-04-07 18:56:36,749 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 182500 36500 50.931 -36123 5582.1 -41705 -41705 1.6948 1.6051 0.54173 2.9198e+05 2023-04-07 18:56:38,601 INFO [main.py:643]
{rank 0/100} MD step = 182600 step time: 00:00:00.017960 Performance: 124.766 ns/day 0.192 hours/ns 7.220 steps/s 2023-04-07 18:56:50,829 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 182600 36520 49.944 -36125 5473.9 -41599 -41599 1.6965 1.6057 0.54166 2.9215e+05 2023-04-07 18:56:52,727 INFO [main.py:643]
{rank 0/100} MD step = 182700 step time: 00:00:00.018002 Performance: 124.765 ns/day 0.192 hours/ns 7.220 steps/s 2023-04-07 18:56:53,957 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 182700 36540 49.504 -36363 5425.7 -41789 -41789 1.6985 1.6068 0.54325 2.9225e+05 2023-04-07 18:56:55,791 INFO [main.py:643]
{rank 0/100} MD step = 182800 step time: 00:00:00.017928 Performance: 124.818 ns/day 0.192 hours/ns 7.223 steps/s 2023-04-07 18:56:59,588 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 182800 36560 50.662 -36200 5552.6 -41752 -41752 1.6984 1.6079 0.54428 2.9242e+05 2023-04-07 18:57:01,532 INFO [main.py:643]
{rank 0/100} MD step = 182900 step time: 00:00:00.018023 Performance: 124.858 ns/day 0.192 hours/ns 7.226 steps/s 2023-04-07 18:57:05,631 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 182900 36580 50.507 -36082 5535.6 -41618 -41618 1.7007 1.6101 0.54333 2.926e+05 2023-04-07 18:57:07,523 INFO [main.py:643]
{rank 0/100} MD step = 183000 step time: 00:00:00.018071 Performance: 124.897 ns/day 0.192 hours/ns 7.228 steps/s 2023-04-07 18:57:16,375 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 183000 36600 49.493 -36254 5424.5 -41679 -41679 1.7018 1.6103 0.54418 2.9278e+05 2023-04-07 18:57:18,315 INFO [main.py:643]
{rank 0/100} MD step = 183100 step time: 00:00:00.018038 Performance: 124.912 ns/day 0.192 hours/ns 7.229 steps/s 2023-04-07 18:57:30,905 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 183100 36620 49.336 -36293 5407.3 -41701 -41701 1.7014 1.6107 0.54409 2.9293e+05 2023-04-07 18:57:32,835 INFO [main.py:643]
{rank 0/100} MD step = 183200 step time: 00:00:00.018026 Performance: 124.908 ns/day 0.192 hours/ns 7.229 steps/s 2023-04-07 18:57:44,359 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 183200 36640 50.296 -36175 5512.6 -41688 -41688 1.7038 1.6113 0.54325 2.9311e+05 2023-04-07 18:57:46,251 INFO [main.py:643]
{rank 0/100} MD step = 183300 step time: 00:00:00.018163 Performance: 124.911 ns/day 0.192 hours/ns 7.229 steps/s 2023-04-07 18:58:03,549 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 183300 36660 49.86 -36227 5464.7 -41692 -41692 1.7036 1.6127 0.5426 2.9328e+05 2023-04-07 18:58:05,441 INFO [main.py:643]
{rank 0/100} MD step = 183400 step time: 00:00:00.018108 Performance: 124.884 ns/day 0.192 hours/ns 7.227 steps/s 2023-04-07 18:58:22,864 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 183400 36680 49.673 -36326 5444.2 -41770 -41770 1.7049 1.6125 0.54348 2.9346e+05 2023-04-07 18:58:24,693 INFO [main.py:643]
{rank 0/100} MD step = 183500 step time: 00:00:00.018047 Performance: 124.858 ns/day 0.192 hours/ns 7.226 steps/s 2023-04-07 18:58:51,453 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 183500 36700 50.174 -36158 5499.2 -41657 -41657 1.7076 1.6142 0.54319 2.936e+05 2023-04-07 18:58:53,283 INFO [main.py:643]
{rank 0/100} MD step = 183600 step time: 00:00:00.018036 Performance: 124.785 ns/day 0.192 hours/ns 7.221 steps/s 2023-04-07 18:59:02,983 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 183600 36720 49.419 -36317 5416.3 -41734 -41734 1.709 1.6148 0.54329 2.9375e+05 2023-04-07 18:59:04,937 INFO [main.py:643]
{rank 0/100} MD step = 183700 step time: 00:00:00.018107 Performance: 124.796 ns/day 0.192 hours/ns 7.222 steps/s 2023-04-07 18:59:24,863 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 183700 36740 50.176 -36102 5499.4 -41602 -41602 1.7138 1.6161 0.54349 2.9393e+05 2023-04-07 18:59:26,737 INFO [main.py:643]
{rank 0/100} MD step = 183800 step time: 00:00:00.017978 Performance: 124.757 ns/day 0.192 hours/ns 7.220 steps/s 2023-04-07 18:59:35,866 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 183800 36760 49.943 -36204 5473.8 -41678 -41678 1.716 1.6162 0.54403 2.9409e+05 2023-04-07 18:59:37,705 INFO [main.py:643]
{rank 0/100} MD step = 183900 step time: 00:00:00.017960 Performance: 124.771 ns/day 0.192 hours/ns 7.221 steps/s 2023-04-07 18:59:46,771 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 183900 36780 49.313 -36364 5404.8 -41769 -41769 1.7166 1.6174 0.54479 2.9425e+05 2023-04-07 18:59:48,716 INFO [main.py:643]
{rank 0/100} MD step = 184000 step time: 00:00:00.018122 Performance: 124.785 ns/day 0.192 hours/ns 7.221 steps/s 2023-04-07 19:00:14,823 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 184000 36800 50.488 -36212 5533.6 -41746 -41746 1.7153 1.6164 0.54536 2.9442e+05 2023-04-07 19:00:20,210 INFO [main.py:643]
{rank 0/100} MD step = 184100 step time: 00:00:00.018057 Performance: 124.699 ns/day 0.192 hours/ns 7.216 steps/s 2023-04-07 19:00:25,506 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 184100 36820 49.879 -36279 5466.8 -41746 -41746 1.7185 1.617 0.54611 2.946e+05 2023-04-07 19:00:27,441 INFO [main.py:643]
{rank 0/100} MD step = 184200 step time: 00:00:00.018057 Performance: 124.731 ns/day 0.192 hours/ns 7.218 steps/s 2023-04-07 19:00:31,917 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 184200 36840 50.238 -36225 5506.2 -41731 -41731 1.7189 1.6173 0.54666 2.9473e+05 2023-04-07 19:00:33,848 INFO [main.py:643]
{rank 0/100} MD step = 184300 step time: 00:00:00.018355 Performance: 124.767 ns/day 0.192 hours/ns 7.220 steps/s 2023-04-07 19:00:50,936 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 184300 36860 50.215 -36157 5503.6 -41660 -41660 1.7199 1.6195 0.54735 2.9492e+05 2023-04-07 19:00:52,792 INFO [main.py:643]
{rank 0/100} MD step = 184400 step time: 00:00:00.017873 Performance: 124.742 ns/day 0.192 hours/ns 7.219 steps/s 2023-04-07 19:01:10,099 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 184400 36880 50.005 -36318 5480.6 -41798 -41798 1.721 1.6201 0.54815 2.9506e+05 2023-04-07 19:01:11,984 INFO [main.py:643]
{rank 0/100} MD step = 184500 step time: 00:00:00.017980 Performance: 124.716 ns/day 0.192 hours/ns 7.217 steps/s 2023-04-07 19:01:29,460 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 184500 36900 50.44 -36136 5528.3 -41664 -41664 1.7221 1.6221 0.54707 2.9524e+05 2023-04-07 19:01:31,465 INFO [main.py:643]
{rank 0/100} MD step = 184600 step time: 00:00:00.017946 Performance: 124.689 ns/day 0.192 hours/ns 7.216 steps/s 2023-04-07 19:01:44,516 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 184600 36920 50.592 -36182 5544.9 -41727 -41727 1.7239 1.6221 0.54611 2.9539e+05 2023-04-07 19:01:46,358 INFO [main.py:643]
{rank 0/100} MD step = 184700 step time: 00:00:00.018047 Performance: 124.684 ns/day 0.192 hours/ns 7.216 steps/s 2023-04-07 19:01:55,424 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 184700 36940 49.738 -36165 5451.3 -41616 -41616 1.7255 1.621 0.54786 2.9557e+05 2023-04-07 19:01:57,236 INFO [main.py:643]
{rank 0/100} MD step = 184800 step time: 00:00:00.018286 Performance: 124.698 ns/day 0.192 hours/ns 7.216 steps/s 2023-04-07 19:02:02,307 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 184800 36960 49.864 -36236 5465.2 -41702 -41702 1.7261 1.6219 0.54913 2.9573e+05 2023-04-07 19:02:07,667 INFO [main.py:643]
{rank 0/100} MD step = 184900 step time: 00:00:00.018073 Performance: 124.715 ns/day 0.192 hours/ns 7.217 steps/s 2023-04-07 19:02:16,660 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 184900 36980 50.271 -36293 5509.8 -41803 -41803 1.7284 1.6221 0.54915 2.9586e+05 2023-04-07 19:02:18,507 INFO [main.py:643]
{rank 0/100} MD step = 185000 step time: 00:00:00.019209 Performance: 124.730 ns/day 0.192 hours/ns 7.218 steps/s 2023-04-07 19:02:23,821 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 185000 37000 50.532 -36046 5538.4 -41584 -41584 1.7268 1.625 0.55001 2.9603e+05 2023-04-07 19:02:25,742 INFO [main.py:643]
{rank 0/100} MD step = 185100 step time: 00:00:00.018091 Performance: 124.762 ns/day 0.192 hours/ns 7.220 steps/s 2023-04-07 19:02:26,903 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 185100 37020 49.782 -36159 5456.2 -41615 -41615 1.7273 1.6262 0.54968 2.9617e+05 2023-04-07 19:02:28,750 INFO [main.py:643]
{rank 0/100} MD step = 185200 step time: 00:00:00.018030 Performance: 124.815 ns/day 0.192 hours/ns 7.223 steps/s 2023-04-07 19:02:32,069 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 185200 37040 50.033 -36262 5483.6 -41746 -41746 1.7282 1.6272 0.5487 2.9632e+05 2023-04-07 19:02:35,739 INFO [main.py:643]
{rank 0/100} MD step = 185300 step time: 00:00:00.017917 Performance: 124.848 ns/day 0.192 hours/ns 7.225 steps/s 2023-04-07 19:02:38,979 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 185300 37060 50.388 -36153 5522.6 -41676 -41676 1.7267 1.6304 0.5495 2.9652e+05 2023-04-07 19:02:40,935 INFO [main.py:643]
{rank 0/100} MD step = 185400 step time: 00:00:00.017979 Performance: 124.890 ns/day 0.192 hours/ns 7.227 steps/s 2023-04-07 19:02:48,914 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 185400 37080 50.242 -36172 5506.6 -41678 -41678 1.7287 1.6294 0.55057 2.9669e+05 2023-04-07 19:02:50,748 INFO [main.py:643]
{rank 0/100} MD step = 185500 step time: 00:00:00.017932 Performance: 124.910 ns/day 0.192 hours/ns 7.229 steps/s 2023-04-07 19:03:16,831 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 185500 37100 50.428 -36223 5527 -41750 -41750 1.7302 1.6295 0.55058 2.9683e+05 2023-04-07 19:03:18,714 INFO [main.py:643]
{rank 0/100} MD step = 185600 step time: 00:00:00.018001 Performance: 124.841 ns/day 0.192 hours/ns 7.225 steps/s 2023-04-07 19:03:44,913 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 185600 37120 50.098 -36236 5490.8 -41727 -41727 1.7298 1.6325 0.55072 2.9699e+05 2023-04-07 19:03:46,754 INFO [main.py:643]
{rank 0/100} MD step = 185700 step time: 00:00:00.036271 Performance: 124.772 ns/day 0.192 hours/ns 7.221 steps/s 2023-04-07 19:03:56,002 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 185700 37140 50.596 -36111 5545.4 -41656 -41656 1.7299 1.6338 0.55117 2.9719e+05 2023-04-07 19:03:57,909 INFO [main.py:643]
{rank 0/100} MD step = 185800 step time: 00:00:00.020746 Performance: 124.785 ns/day 0.192 hours/ns 7.221 steps/s 2023-04-07 19:04:14,729 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 185800 37160 49.744 -36172 5452 -41624 -41624 1.7302 1.6344 0.55002 2.9738e+05 2023-04-07 19:04:16,670 INFO [main.py:643]
{rank 0/100} MD step = 185900 step time: 00:00:00.017792 Performance: 124.761 ns/day 0.192 hours/ns 7.220 steps/s 2023-04-07 19:04:34,257 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 185900 37180 50.036 -36176 5484 -41660 -41660 1.7304 1.6359 0.54946 2.9753e+05 2023-04-07 19:04:36,195 INFO [main.py:643]
{rank 0/100} MD step = 186000 step time: 00:00:00.022205 Performance: 124.734 ns/day 0.192 hours/ns 7.218 steps/s 2023-04-07 19:04:44,796 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 186000 37200 50.685 -36109 5555.2 -41664 -41664 1.7303 1.6373 0.55106 2.9769e+05 2023-04-07 19:04:46,726 INFO [main.py:643]
{rank 0/100} MD step = 186100 step time: 00:00:00.018019 Performance: 124.750 ns/day 0.192 hours/ns 7.219 steps/s 2023-04-07 19:04:51,935 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 186100 37220 50.317 -36162 5514.8 -41677 -41677 1.7324 1.6373 0.55203 2.9785e+05 2023-04-07 19:04:53,763 INFO [main.py:643]
{rank 0/100} MD step = 186200 step time: 00:00:00.018014 Performance: 124.783 ns/day 0.192 hours/ns 7.221 steps/s 2023-04-07 19:05:02,809 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 186200 37240 49.999 -36288 5479.9 -41768 -41768 1.7304 1.6391 0.55374 2.9798e+05 2023-04-07 19:05:04,679 INFO [main.py:643]
{rank 0/100} MD step = 186300 step time: 00:00:00.018880 Performance: 124.797 ns/day 0.192 hours/ns 7.222 steps/s 2023-04-07 19:05:13,377 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 186300 37260 50.592 -36033 5545 -41578 -41578 1.7322 1.6397 0.5543 2.9818e+05 2023-04-07 19:05:15,249 INFO [main.py:643]
{rank 0/100} MD step = 186400 step time: 00:00:00.017922 Performance: 124.813 ns/day 0.192 hours/ns 7.223 steps/s 2023-04-07 19:05:19,595 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 186400 37280 49.552 -36276 5431 -41707 -41707 1.7327 1.6401 0.55283 2.9832e+05 2023-04-07 19:05:21,414 INFO [main.py:643]
{rank 0/100} MD step = 186500 step time: 00:00:00.017991 Performance: 124.850 ns/day 0.192 hours/ns 7.225 steps/s 2023-04-07 19:05:52,009 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 186500 37300 49.925 -36282 5471.8 -41753 -41753 1.7356 1.6402 0.55335 2.9849e+05 2023-04-07 19:05:53,865 INFO [main.py:643]
{rank 0/100} MD step = 186600 step time: 00:00:00.018171 Performance: 124.760 ns/day 0.192 hours/ns 7.220 steps/s 2023-04-07 19:06:10,777 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 186600 37320 49.625 -36305 5438.9 -41744 -41744 1.7347 1.6409 0.55482 2.9865e+05 2023-04-07 19:06:12,687 INFO [main.py:643]
{rank 0/100} MD step = 186700 step time: 00:00:00.018012 Performance: 124.736 ns/day 0.192 hours/ns 7.219 steps/s 2023-04-07 19:06:38,690 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 186700 37340 50.699 -36163 5556.7 -41719 -41719 1.7349 1.6419 0.55607 2.9881e+05 2023-04-07 19:06:40,872 INFO [main.py:643]
{rank 0/100} MD step = 186800 step time: 00:00:00.017966 Performance: 124.667 ns/day 0.193 hours/ns 7.215 steps/s 2023-04-07 19:06:49,545 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 186800 37360 50.081 -36134 5488.9 -41623 -41623 1.7379 1.6426 0.55475 2.9899e+05 2023-04-07 19:06:51,472 INFO [main.py:643]
{rank 0/100} MD step = 186900 step time: 00:00:00.018060 Performance: 124.683 ns/day 0.192 hours/ns 7.215 steps/s 2023-04-07 19:06:56,053 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 186900 37380 50.129 -36226 5494.2 -41720 -41720 1.7373 1.6434 0.55632 2.9911e+05 2023-04-07 19:06:57,882 INFO [main.py:643]
{rank 0/100} MD step = 187000 step time: 00:00:00.020791 Performance: 124.719 ns/day 0.192 hours/ns 7.218 steps/s 2023-04-07 19:07:02,634 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 187000 37400 50.28 -36129 5510.8 -41640 -41640 1.7399 1.6447 0.55503 2.9931e+05 2023-04-07 19:07:04,438 INFO [main.py:643]
{rank 0/100} MD step = 187100 step time: 00:00:00.018072 Performance: 124.754 ns/day 0.192 hours/ns 7.220 steps/s 2023-04-07 19:07:21,965 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 187100 37420 49.864 -36252 5465.2 -41717 -41717 1.7399 1.6448 0.55687 2.9947e+05 2023-04-07 19:07:27,594 INFO [main.py:643]
{rank 0/100} MD step = 187200 step time: 00:00:00.018281 Performance: 124.709 ns/day 0.192 hours/ns 7.217 steps/s 2023-04-07 19:07:43,302 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 187200 37440 49.806 -36315 5458.7 -41774 -41774 1.7414 1.6455 0.55728 2.9964e+05 2023-04-07 19:07:45,137 INFO [main.py:643]
{rank 0/100} MD step = 187300 step time: 00:00:00.017895 Performance: 124.691 ns/day 0.192 hours/ns 7.216 steps/s 2023-04-07 19:08:07,158 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 187300 37460 49.807 -36256 5458.9 -41715 -41715 1.7433 1.6466 0.5595 2.9979e+05 2023-04-07 19:08:09,046 INFO [main.py:643]
{rank 0/100} MD step = 187400 step time: 00:00:00.018007 Performance: 124.643 ns/day 0.193 hours/ns 7.213 steps/s 2023-04-07 19:08:17,521 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 187400 37480 49.801 -36328 5458.2 -41786 -41786 1.7452 1.6461 0.56053 2.9996e+05 2023-04-07 19:08:23,512 INFO [main.py:643]
{rank 0/100} MD step = 187500 step time: 00:00:00.018062 Performance: 124.640 ns/day 0.193 hours/ns 7.213 steps/s 2023-04-07 19:08:43,527 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 187500 37500 49.808 -36245 5459 -41704 -41704 1.7462 1.6478 0.55983 3.0013e+05 2023-04-07 19:08:45,361 INFO [main.py:643]
{rank 0/100} MD step = 187600 step time: 00:00:00.017879 Performance: 124.602 ns/day 0.193 hours/ns 7.211 steps/s 2023-04-07 19:09:06,997 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 187600 37520 49.545 -36355 5430.2 -41785 -41785 1.7494 1.6488 0.56013 3.0026e+05 2023-04-07 19:09:12,696 INFO [main.py:643]
{rank 0/100} MD step = 187700 step time: 00:00:00.018080 Performance: 124.538 ns/day 0.193 hours/ns 7.207 steps/s 2023-04-07 19:09:33,195 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 187700 37540 49.961 -36215 5475.8 -41691 -41691 1.7522 1.6501 0.56096 3.0044e+05 2023-04-07 19:09:35,087 INFO [main.py:643]
{rank 0/100} MD step = 187800 step time: 00:00:00.017977 Performance: 124.497 ns/day 0.193 hours/ns 7.205 steps/s 2023-04-07 19:09:52,105 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 187800 37560 50.348 -36137 5518.2 -41655 -41655 1.7539 1.6515 0.56188 3.0061e+05 2023-04-07 19:09:53,938 INFO [main.py:643]
{rank 0/100} MD step = 187900 step time: 00:00:00.018111 Performance: 124.473 ns/day 0.193 hours/ns 7.203 steps/s 2023-04-07 19:10:24,081 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 187900 37580 50.285 -36134 5511.3 -41645 -41645 1.7564 1.6519 0.56397 3.0077e+05 2023-04-07 19:10:26,301 INFO [main.py:643]
{rank 0/100} MD step = 188000 step time: 00:00:00.018000 Performance: 124.385 ns/day 0.193 hours/ns 7.198 steps/s 2023-04-07 19:10:35,794 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 188000 37600 50.172 -36239 5498.9 -41738 -41738 1.7583 1.6514 0.56375 3.0092e+05 2023-04-07 19:10:37,681 INFO [main.py:643]
{rank 0/100} MD step = 188100 step time: 00:00:00.018063 Performance: 124.397 ns/day 0.193 hours/ns 7.199 steps/s 2023-04-07 19:11:02,823 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 188100 37620 49.995 -36240 5479.5 -41720 -41720 1.759 1.6524 0.5642 3.0106e+05 2023-04-07 19:11:05,012 INFO [main.py:643]
{rank 0/100} MD step = 188200 step time: 00:00:00.018189 Performance: 124.333 ns/day 0.193 hours/ns 7.195 steps/s 2023-04-07 19:11:35,111 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 188200 37640 49.557 -36182 5431.5 -41614 -41614 1.7599 1.6535 0.56529 3.0122e+05 2023-04-07 19:11:37,022 INFO [main.py:643]
{rank 0/100} MD step = 188300 step time: 00:00:00.019376 Performance: 124.247 ns/day 0.193 hours/ns 7.190 steps/s 2023-04-07 19:11:54,768 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 188300 37660 50.192 -35995 5501.1 -41496 -41496 1.7629 1.6537 0.56828 3.0142e+05 2023-04-07 19:11:56,585 INFO [main.py:643]
{rank 0/100} MD step = 188400 step time: 00:00:00.018070 Performance: 124.220 ns/day 0.193 hours/ns 7.189 steps/s 2023-04-07 19:12:01,491 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 188400 37680 50.549 -36151 5540.2 -41691 -41691 1.7645 1.654 0.56849 3.0154e+05 2023-04-07 19:12:06,748 INFO [main.py:643]
{rank 0/100} MD step = 188500 step time: 00:00:00.018162 Performance: 124.238 ns/day 0.193 hours/ns 7.190 steps/s 2023-04-07 19:12:11,479 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 188500 37700 50.162 -36234 5497.8 -41732 -41732 1.7666 1.6552 0.56917 3.0171e+05 2023-04-07 19:12:13,296 INFO [main.py:643]
{rank 0/100} MD step = 188600 step time: 00:00:00.017873 Performance: 124.273 ns/day 0.193 hours/ns 7.192 steps/s 2023-04-07 19:12:27,037 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 188600 37720 48.9 -36283 5359.4 -41642 -41642 1.7681 1.657 0.56752 3.0191e+05 2023-04-07 19:12:32,361 INFO [main.py:643]
{rank 0/100} MD step = 188700 step time: 00:00:00.018831 Performance: 124.249 ns/day 0.193 hours/ns 7.190 steps/s 2023-04-07 19:12:37,681 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 188700 37740 50.224 -36207 5504.7 -41711 -41711 1.7696 1.6584 0.56794 3.0208e+05 2023-04-07 19:12:39,651 INFO [main.py:643]
{rank 0/100} MD step = 188800 step time: 00:00:00.018018 Performance: 124.280 ns/day 0.193 hours/ns 7.192 steps/s 2023-04-07 19:12:40,987 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 188800 37760 50.047 -36197 5485.2 -41683 -41683 1.7711 1.6603 0.56936 3.0224e+05 2023-04-07 19:12:42,833 INFO [main.py:643]
{rank 0/100} MD step = 188900 step time: 00:00:00.017981 Performance: 124.331 ns/day 0.193 hours/ns 7.195 steps/s 2023-04-07 19:12:50,661 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 188900 37780 50.482 -36199 5532.9 -41732 -41732 1.7748 1.6608 0.57123 3.0239e+05 2023-04-07 19:12:52,482 INFO [main.py:643]
{rank 0/100} MD step = 189000 step time: 00:00:00.018061 Performance: 124.351 ns/day 0.193 hours/ns 7.196 steps/s 2023-04-07 19:13:18,188 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 189000 37800 49.895 -36281 5468.6 -41750 -41750 1.7793 1.6613 0.57218 3.0257e+05 2023-04-07 19:13:20,054 INFO [main.py:643]
{rank 0/100} MD step = 189100 step time: 00:00:00.017984 Performance: 124.286 ns/day 0.193 hours/ns 7.192 steps/s 2023-04-07 19:13:38,993 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 189100 37820 50.063 -36138 5487 -41625 -41625 1.778 1.6622 0.57239 3.0277e+05 2023-04-07 19:13:40,916 INFO [main.py:643]
{rank 0/100} MD step = 189200 step time: 00:00:00.017994 Performance: 124.253 ns/day 0.193 hours/ns 7.191 steps/s 2023-04-07 19:13:42,515 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 189200 37840 49.929 -36213 5472.3 -41686 -41686 1.7771 1.6637 0.57214 3.0289e+05 2023-04-07 19:13:44,341 INFO [main.py:643]
{rank 0/100} MD step = 189300 step time: 00:00:00.018012 Performance: 124.303 ns/day 0.193 hours/ns 7.193 steps/s 2023-04-07 19:13:45,819 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 189300 37860 49.776 -36218 5455.5 -41673 -41673 1.7792 1.6642 0.5743 3.0307e+05 2023-04-07 19:13:47,658 INFO [main.py:643]
{rank 0/100} MD step = 189400 step time: 00:00:00.017934 Performance: 124.353 ns/day 0.193 hours/ns 7.196 steps/s 2023-04-07 19:14:00,908 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 189400 37880 49.149 -36251 5386.8 -41638 -41638 1.7781 1.6652 0.57388 3.0325e+05 2023-04-07 19:14:02,799 INFO [main.py:643]
{rank 0/100} MD step = 189500 step time: 00:00:00.017965 Performance: 124.347 ns/day 0.193 hours/ns 7.196 steps/s 2023-04-07 19:14:07,723 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 189500 37900 50.343 -36206 5517.7 -41724 -41724 1.7762 1.6657 0.57258 3.0341e+05 2023-04-07 19:14:09,686 INFO [main.py:643]
{rank 0/100} MD step = 189600 step time: 00:00:00.018085 Performance: 124.380 ns/day 0.193 hours/ns 7.198 steps/s 2023-04-07 19:14:24,270 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 189600 37920 50.534 -36112 5538.6 -41651 -41651 1.776 1.6668 0.57279 3.0358e+05 2023-04-07 19:14:26,083 INFO [main.py:643]
{rank 0/100} MD step = 189700 step time: 00:00:00.017909 Performance: 124.368 ns/day 0.193 hours/ns 7.197 steps/s 2023-04-07 19:14:44,594 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 189700 37940 49.684 -36224 5445.4 -41669 -41669 1.7768 1.6667 0.57188 3.0376e+05 2023-04-07 19:14:46,394 INFO [main.py:643]
{rank 0/100} MD step = 189800 step time: 00:00:00.017898 Performance: 124.338 ns/day 0.193 hours/ns 7.195 steps/s 2023-04-07 19:14:47,515 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 189800 37960 49.171 -36229 5389.2 -41618 -41618 1.7785 1.6686 0.57192 3.039e+05 2023-04-07 19:14:49,350 INFO [main.py:643]
{rank 0/100} MD step = 189900 step time: 00:00:00.018117 Performance: 124.389 ns/day 0.193 hours/ns 7.198 steps/s 2023-04-07 19:15:01,513 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 189900 37980 50.536 -36271 5538.8 -41810 -41810 1.7781 1.6694 0.57303 3.0403e+05 2023-04-07 19:15:03,426 INFO [main.py:643]
{rank 0/100} MD step = 190000 step time: 00:00:00.017879 Performance: 124.389 ns/day 0.193 hours/ns 7.198 steps/s 2023-04-07 19:15:22,680 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 190000 38000 50.652 -36097 5551.5 -41649 -41649 1.7772 1.6693 0.57314 3.0419e+05 2023-04-07 19:15:28,675 INFO [main.py:643]
{rank 0/100} MD step = 190100 step time: 00:00:00.017881 Performance: 124.335 ns/day 0.193 hours/ns 7.195 steps/s 2023-04-07 19:15:38,016 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 190100 38020 50.367 -36218 5520.3 -41739 -41739 1.7774 1.6708 0.57316 3.0434e+05 2023-04-07 19:15:39,840 INFO [main.py:643]
{rank 0/100} MD step = 190200 step time: 00:00:00.018814 Performance: 124.348 ns/day 0.193 hours/ns 7.196 steps/s 2023-04-07 19:15:41,076 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 190200 38040 50.507 -36089 5535.6 -41625 -41625 1.7764 1.6708 0.5736 3.045e+05 2023-04-07 19:15:42,973 INFO [main.py:643]
{rank 0/100} MD step = 190300 step time: 00:00:00.029646 Performance: 124.399 ns/day 0.193 hours/ns 7.199 steps/s 2023-04-07 19:15:50,835 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 190300 38060 49.967 -36121 5476.4 -41597 -41597 1.7757 1.6729 0.574 3.0465e+05 2023-04-07 19:15:53,090 INFO [main.py:643]
{rank 0/100} MD step = 190400 step time: 00:00:00.018140 Performance: 124.416 ns/day 0.193 hours/ns 7.200 steps/s 2023-04-07 19:15:57,592 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 190400 38080 50.138 -36130 5495.2 -41626 -41626 1.7769 1.6734 0.57378 3.0482e+05 2023-04-07 19:15:59,480 INFO [main.py:643]
{rank 0/100} MD step = 190500 step time: 00:00:00.018055 Performance: 124.452 ns/day 0.193 hours/ns 7.202 steps/s 2023-04-07 19:16:07,832 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 190500 38100 49.425 -36206 5417.1 -41623 -41623 1.7791 1.6731 0.57398 3.0501e+05 2023-04-07 19:16:09,737 INFO [main.py:643]
{rank 0/100} MD step = 190600 step time: 00:00:00.018011 Performance: 124.469 ns/day 0.193 hours/ns 7.203 steps/s 2023-04-07 19:17:20,744 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 190600 38120 49.927 -36193 5472.1 -41666 -41666 1.7782 1.6737 0.57464 3.0515e+05 2023-04-07 19:17:22,916 INFO [main.py:643]
{rank 0/100} MD step = 190700 step time: 00:00:00.017887 Performance: 124.190 ns/day 0.193 hours/ns 7.187 steps/s 2023-04-07 19:17:27,481 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 190700 38140 49.921 -36256 5471.4 -41727 -41727 1.7796 1.6744 0.57531 3.053e+05 2023-04-07 19:17:29,366 INFO [main.py:643]
{rank 0/100} MD step = 190800 step time: 00:00:00.018429 Performance: 124.225 ns/day 0.193 hours/ns 7.189 steps/s 2023-04-07 19:17:42,406 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 190800 38160 50.154 -36190 5496.9 -41687 -41687 1.7831 1.6761 0.57591 3.0545e+05 2023-04-07 19:17:44,245 INFO [main.py:643]
{rank 0/100} MD step = 190900 step time: 00:00:00.017895 Performance: 124.221 ns/day 0.193 hours/ns 7.189 steps/s 2023-04-07 19:17:59,491 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 190900 38180 49.639 -36261 5440.5 -41701 -41701 1.7866 1.6769 0.57611 3.0562e+05 2023-04-07 19:18:01,379 INFO [main.py:643]
{rank 0/100} MD step = 191000 step time: 00:00:00.017895 Performance: 124.206 ns/day 0.193 hours/ns 7.188 steps/s 2023-04-07 19:18:14,551 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 191000 38200 50.079 -36143 5488.7 -41632 -41632 1.7889 1.677 0.57683 3.0578e+05 2023-04-07 19:18:16,366 INFO [main.py:643]
{rank 0/100} MD step = 191100 step time: 00:00:00.018023 Performance: 124.201 ns/day 0.193 hours/ns 7.188 steps/s 2023-04-07 19:18:38,210 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 191100 38220 49.769 -36187 5454.8 -41642 -41642 1.791 1.6762 0.57731 3.0593e+05 2023-04-07 19:18:40,100 INFO [main.py:643]
{rank 0/100} MD step = 191200 step time: 00:00:00.017993 Performance: 124.155 ns/day 0.193 hours/ns 7.185 steps/s 2023-04-07 19:18:53,182 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 191200 38240 49.459 -36240 5420.8 -41661 -41661 1.7898 1.6778 0.57695 3.0608e+05 2023-04-07 19:18:55,176 INFO [main.py:643]
{rank 0/100} MD step = 191300 step time: 00:00:00.018212 Performance: 124.150 ns/day 0.193 hours/ns 7.185 steps/s 2023-04-07 19:19:04,715 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 191300 38260 49.891 -36242 5468.1 -41710 -41710 1.7875 1.6796 0.57708 3.0623e+05 2023-04-07 19:19:06,566 INFO [main.py:643]
{rank 0/100} MD step = 191400 step time: 00:00:00.018072 Performance: 124.161 ns/day 0.193 hours/ns 7.185 steps/s 2023-04-07 19:19:10,476 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 191400 38280 49.232 -36394 5395.9 -41790 -41790 1.7907 1.68 0.57805 3.0637e+05 2023-04-07 19:19:12,290 INFO [main.py:643]
{rank 0/100} MD step = 191500 step time: 00:00:00.018021 Performance: 124.200 ns/day 0.193 hours/ns 7.187 steps/s 2023-04-07 19:19:21,304 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 191500 38300 50.088 -36105 5489.8 -41595 -41595 1.7888 1.6798 0.57847 3.0658e+05 2023-04-07 19:19:23,172 INFO [main.py:643]
{rank 0/100} MD step = 191600 step time: 00:00:00.017918 Performance: 124.214 ns/day 0.193 hours/ns 7.188 steps/s 2023-04-07 19:19:48,207 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 191600 38320 49.884 -36236 5467.3 -41704 -41704 1.7893 1.6814 0.57984 3.0674e+05 2023-04-07 19:19:50,188 INFO [main.py:643]
{rank 0/100} MD step = 191700 step time: 00:00:00.018058 Performance: 124.153 ns/day 0.193 hours/ns 7.185 steps/s 2023-04-07 19:19:57,855 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 191700 38340 49.752 -36176 5452.9 -41629 -41629 1.7902 1.6812 0.58072 3.069e+05 2023-04-07 19:19:59,711 INFO [main.py:643]
{rank 0/100} MD step = 191800 step time: 00:00:00.018123 Performance: 124.173 ns/day 0.193 hours/ns 7.186 steps/s 2023-04-07 19:20:18,079 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 191800 38360 49.475 -36245 5422.6 -41668 -41668 1.7906 1.6816 0.57984 3.0706e+05 2023-04-07 19:20:19,989 INFO [main.py:643]
{rank 0/100} MD step = 191900 step time: 00:00:00.018306 Performance: 124.144 ns/day 0.193 hours/ns 7.184 steps/s 2023-04-07 19:20:23,625 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 191900 38380 50.012 -36229 5481.3 -41710 -41710 1.7942 1.6813 0.58063 3.0722e+05 2023-04-07 19:20:25,572 INFO [main.py:643]
{rank 0/100} MD step = 192000 step time: 00:00:00.018060 Performance: 124.182 ns/day 0.193 hours/ns 7.186 steps/s 2023-04-07 19:20:27,307 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 192000 38400 50.109 -36174 5492 -41666 -41666 1.7969 1.6837 0.58305 3.0738e+05 2023-04-07 19:20:29,237 INFO [main.py:643]
{rank 0/100} MD step = 192100 step time: 00:00:00.017948 Performance: 124.230 ns/day 0.193 hours/ns 7.189 steps/s 2023-04-07 19:20:41,638 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 192100 38420 49.491 -36151 5424.2 -41576 -41576 1.798 1.6843 0.58264 3.0756e+05 2023-04-07 19:20:43,535 INFO [main.py:643]
{rank 0/100} MD step = 192200 step time: 00:00:00.018267 Performance: 124.228 ns/day 0.193 hours/ns 7.189 steps/s 2023-04-07 19:20:44,669 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 192200 38440 50.531 -36058 5538.3 -41596 -41596 1.7976 1.6875 0.58154 3.0771e+05 2023-04-07 19:20:46,523 INFO [main.py:643]
{rank 0/100} MD step = 192300 step time: 00:00:00.017972 Performance: 124.279 ns/day 0.193 hours/ns 7.192 steps/s 2023-04-07 19:21:00,255 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 192300 38460 49.88 -36257 5466.9 -41723 -41723 1.7987 1.6886 0.58109 3.0787e+05 2023-04-07 19:21:02,120 INFO [main.py:643]
{rank 0/100} MD step = 192400 step time: 00:00:00.018101 Performance: 124.271 ns/day 0.193 hours/ns 7.192 steps/s 2023-04-07 19:21:15,490 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 192400 38480 50.183 -36184 5500.1 -41684 -41684 1.7986 1.6899 0.58214 3.0801e+05 2023-04-07 19:21:19,857 INFO [main.py:643]
{rank 0/100} MD step = 192500 step time: 00:00:00.017922 Performance: 124.253 ns/day 0.193 hours/ns 7.191 steps/s 2023-04-07 19:21:29,072 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 192500 38500 50.075 -36160 5488.3 -41648 -41648 1.7996 1.6899 0.58248 3.0819e+05 2023-04-07 19:21:30,945 INFO [main.py:643]
{rank 0/100} MD step = 192600 step time: 00:00:00.017885 Performance: 124.266 ns/day 0.193 hours/ns 7.191 steps/s 2023-04-07 19:21:36,796 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 192600 38520 49.963 -36147 5476 -41623 -41623 1.7999 1.6914 0.58392 3.0833e+05 2023-04-07 19:21:38,699 INFO [main.py:643]
{rank 0/100} MD step = 192700 step time: 00:00:00.018010 Performance: 124.295 ns/day 0.193 hours/ns 7.193 steps/s 2023-04-07 19:21:55,709 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 192700 38540 49.166 -36338 5388.7 -41727 -41727 1.8 1.6914 0.58348 3.085e+05 2023-04-07 19:21:57,805 INFO [main.py:643]
{rank 0/100} MD step = 192800 step time: 00:00:00.017984 Performance: 124.271 ns/day 0.193 hours/ns 7.192 steps/s 2023-04-07 19:22:06,250 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 192800 38560 49.984 -36269 5478.3 -41748 -41748 1.8018 1.6916 0.58368 3.0864e+05 2023-04-07 19:22:08,104 INFO [main.py:643]
{rank 0/100} MD step = 192900 step time: 00:00:00.017989 Performance: 124.287 ns/day 0.193 hours/ns 7.193 steps/s 2023-04-07 19:22:09,324 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 192900 38580 50.178 -36188 5499.6 -41687 -41687 1.8021 1.6912 0.58519 3.0878e+05 2023-04-07 19:22:11,152 INFO [main.py:643]
{rank 0/100} MD step = 193000 step time: 00:00:00.018124 Performance: 124.338 ns/day 0.193 hours/ns 7.195 steps/s 2023-04-07 19:22:24,033 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 193000 38600 50.005 -36249 5480.6 -41730 -41730 1.803 1.6917 0.58437 3.0894e+05 2023-04-07 19:22:25,882 INFO [main.py:643]
{rank 0/100} MD step = 193100 step time: 00:00:00.017734 Performance: 124.334 ns/day 0.193 hours/ns 7.195 steps/s 2023-04-07 19:22:34,493 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 193100 38620 50.079 -36207 5488.7 -41695 -41695 1.8047 1.6938 0.58491 3.091e+05 2023-04-07 19:22:36,415 INFO [main.py:643]
{rank 0/100} MD step = 193200 step time: 00:00:00.017903 Performance: 124.349 ns/day 0.193 hours/ns 7.196 steps/s 2023-04-07 19:22:41,191 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 193200 38640 50.554 -36120 5540.8 -41661 -41661 1.8041 1.6955 0.58603 3.0927e+05 2023-04-07 19:22:43,041 INFO [main.py:643]
{rank 0/100} MD step = 193300 step time: 00:00:00.017908 Performance: 124.383 ns/day 0.193 hours/ns 7.198 steps/s 2023-04-07 19:22:47,870 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 193300 38660 49.768 -36187 5454.6 -41642 -41642 1.8033 1.6962 0.58741 3.0943e+05 2023-04-07 19:22:49,674 INFO [main.py:643]
{rank 0/100} MD step = 193400 step time: 00:00:00.018080 Performance: 124.417 ns/day 0.193 hours/ns 7.200 steps/s 2023-04-07 19:23:02,636 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 193400 38680 50.099 -36191 5490.9 -41682 -41682 1.8042 1.6975 0.58885 3.0961e+05 2023-04-07 19:23:04,559 INFO [main.py:643]
{rank 0/100} MD step = 193500 step time: 00:00:00.019756 Performance: 124.412 ns/day 0.193 hours/ns 7.200 steps/s 2023-04-07 19:23:13,808 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 193500 38700 49.965 -36392 5476.3 -41869 -41869 1.8047 1.6974 0.5875 3.0976e+05 2023-04-07 19:23:15,669 INFO [main.py:643]
{rank 0/100} MD step = 193600 step time: 00:00:00.018019 Performance: 124.425 ns/day 0.193 hours/ns 7.201 steps/s 2023-04-07 19:23:19,468 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 193600 38720 49.814 -36239 5459.6 -41698 -41698 1.8057 1.7 0.5875 3.0995e+05 2023-04-07 19:23:21,383 INFO [main.py:643]
{rank 0/100} MD step = 193700 step time: 00:00:00.017965 Performance: 124.463 ns/day 0.193 hours/ns 7.203 steps/s 2023-04-07 19:23:34,557 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 193700 38740 49.619 -36307 5438.3 -41745 -41745 1.8073 1.7002 0.58936 3.1011e+05 2023-04-07 19:23:36,352 INFO [main.py:643]
{rank 0/100} MD step = 193800 step time: 00:00:00.017958 Performance: 124.458 ns/day 0.193 hours/ns 7.202 steps/s 2023-04-07 19:23:45,644 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 193800 38760 50.912 -36135 5580 -41715 -41715 1.8095 1.7 0.59295 3.1027e+05 2023-04-07 19:23:47,463 INFO [main.py:643]
{rank 0/100} MD step = 193900 step time: 00:00:00.017914 Performance: 124.471 ns/day 0.193 hours/ns 7.203 steps/s 2023-04-07 19:23:52,462 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 193900 38780 50.105 -36175 5491.5 -41667 -41667 1.8104 1.7 0.59497 3.1043e+05 2023-04-07 19:23:54,303 INFO [main.py:643]
{rank 0/100} MD step = 194000 step time: 00:00:00.018030 Performance: 124.503 ns/day 0.193 hours/ns 7.205 steps/s 2023-04-07 19:24:02,386 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 194000 38800 50.231 -36116 5505.4 -41622 -41622 1.8112 1.6995 0.59571 3.1062e+05 2023-04-07 19:24:04,345 INFO [main.py:643]
{rank 0/100} MD step = 194100 step time: 00:00:00.018060 Performance: 124.521 ns/day 0.193 hours/ns 7.206 steps/s 2023-04-07 19:24:26,184 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 194100 38820 49.285 -36441 5401.7 -41843 -41843 1.8136 1.7006 0.5971 3.1074e+05 2023-04-07 19:24:28,021 INFO [main.py:643]
{rank 0/100} MD step = 194200 step time: 00:00:00.018053 Performance: 124.476 ns/day 0.193 hours/ns 7.203 steps/s 2023-04-07 19:24:36,833 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 194200 38840 50.014 -36214 5481.6 -41695 -41695 1.8128 1.7022 0.59613 3.1091e+05 2023-04-07 19:24:38,732 INFO [main.py:643]
{rank 0/100} MD step = 194300 step time: 00:00:00.018188 Performance: 124.490 ns/day 0.193 hours/ns 7.204 steps/s 2023-04-07 19:24:43,637 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 194300 38860 50.16 -36117 5497.6 -41615 -41615 1.815 1.7016 0.59714 3.1108e+05 2023-04-07 19:24:45,508 INFO [main.py:643]
{rank 0/100} MD step = 194400 step time: 00:00:00.017983 Performance: 124.523 ns/day 0.193 hours/ns 7.206 steps/s 2023-04-07 19:24:50,075 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 194400 38880 50.091 -36262 5490 -41752 -41752 1.8165 1.7017 0.59508 3.1121e+05 2023-04-07 19:24:52,001 INFO [main.py:643]
{rank 0/100} MD step = 194500 step time: 00:00:00.018124 Performance: 124.557 ns/day 0.193 hours/ns 7.208 steps/s 2023-04-07 19:24:53,265 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 194500 38900 49.083 -36272 5379.6 -41652 -41652 1.8163 1.7022 0.59464 3.1138e+05 2023-04-07 19:24:55,055 INFO [main.py:643]
{rank 0/100} MD step = 194600 step time: 00:00:00.017894 Performance: 124.607 ns/day 0.193 hours/ns 7.211 steps/s 2023-04-07 19:24:58,608 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 194600 38920 49.752 -36260 5452.9 -41713 -41713 1.8179 1.7042 0.5947 3.1154e+05 2023-04-07 19:25:00,453 INFO [main.py:643]
{rank 0/100} MD step = 194700 step time: 00:00:00.017947 Performance: 124.646 ns/day 0.193 hours/ns 7.213 steps/s 2023-04-07 19:25:04,757 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 194700 38940 50.499 -36117 5534.7 -41652 -41652 1.8193 1.7042 0.5955 3.1169e+05 2023-04-07 19:25:06,648 INFO [main.py:643]
{rank 0/100} MD step = 194800 step time: 00:00:00.018086 Performance: 124.682 ns/day 0.192 hours/ns 7.215 steps/s 2023-04-07 19:25:16,337 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 194800 38960 50.319 -36210 5515.1 -41725 -41725 1.8223 1.7056 0.59565 3.1182e+05 2023-04-07 19:25:18,209 INFO [main.py:643]
{rank 0/100} MD step = 194900 step time: 00:00:00.018234 Performance: 124.692 ns/day 0.192 hours/ns 7.216 steps/s 2023-04-07 19:25:34,791 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 194900 38980 49.745 -36217 5452.1 -41669 -41669 1.8229 1.7062 0.59472 3.12e+05 2023-04-07 19:25:36,700 INFO [main.py:643]
{rank 0/100} MD step = 195000 step time: 00:00:00.017939 Performance: 124.671 ns/day 0.193 hours/ns 7.215 steps/s 2023-04-07 19:25:37,885 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 195000 39000 50.32 -36070 5515.2 -41586 -41586 1.8227 1.7065 0.59596 3.122e+05 2023-04-07 19:25:39,707 INFO [main.py:643]
{rank 0/100} MD step = 195100 step time: 00:00:00.018111 Performance: 124.721 ns/day 0.192 hours/ns 7.218 steps/s 2023-04-07 19:25:43,811 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 195100 39020 49.98 -36130 5477.8 -41608 -41608 1.8244 1.7063 0.59783 3.1235e+05 2023-04-07 19:25:45,613 INFO [main.py:643]
{rank 0/100} MD step = 195200 step time: 00:00:00.017961 Performance: 124.757 ns/day 0.192 hours/ns 7.220 steps/s 2023-04-07 19:25:54,355 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 195200 39040 49.372 -36298 5411.2 -41709 -41709 1.8262 1.7084 0.59663 3.1252e+05 2023-04-07 19:25:56,240 INFO [main.py:643]
{rank 0/100} MD step = 195300 step time: 00:00:00.017955 Performance: 124.772 ns/day 0.192 hours/ns 7.221 steps/s 2023-04-07 19:26:00,606 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 195300 39060 50.34 -36134 5517.3 -41651 -41651 1.8274 1.7114 0.59687 3.1266e+05 2023-04-07 19:26:02,464 INFO [main.py:643]
{rank 0/100} MD step = 195400 step time: 00:00:00.018038 Performance: 124.808 ns/day 0.192 hours/ns 7.223 steps/s 2023-04-07 19:26:16,156 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 195400 39080 49.833 -36141 5461.8 -41602 -41602 1.8264 1.7136 0.59832 3.1282e+05 2023-04-07 19:26:18,339 INFO [main.py:643]
{rank 0/100} MD step = 195500 step time: 00:00:00.017778 Performance: 124.798 ns/day 0.192 hours/ns 7.222 steps/s 2023-04-07 19:26:30,489 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 195500 39100 50.051 -36116 5485.7 -41602 -41602 1.827 1.7153 0.59965 3.13e+05 2023-04-07 19:26:32,349 INFO [main.py:643]
{rank 0/100} MD step = 195600 step time: 00:00:00.017992 Performance: 124.797 ns/day 0.192 hours/ns 7.222 steps/s 2023-04-07 19:26:40,345 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 195600 39120 50.172 -36207 5498.9 -41706 -41706 1.828 1.7151 0.59813 3.1314e+05 2023-04-07 19:26:42,161 INFO [main.py:643]
{rank 0/100} MD step = 195700 step time: 00:00:00.018173 Performance: 124.816 ns/day 0.192 hours/ns 7.223 steps/s 2023-04-07 19:26:46,082 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 195700 39140 50.203 -36209 5502.3 -41711 -41711 1.8287 1.7168 0.59781 3.1332e+05 2023-04-07 19:26:47,923 INFO [main.py:643]
{rank 0/100} MD step = 195800 step time: 00:00:00.019948 Performance: 124.853 ns/day 0.192 hours/ns 7.225 steps/s 2023-04-07 19:26:52,641 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 195800 39160 50.054 -36216 5486 -41702 -41702 1.831 1.7175 0.59879 3.1349e+05 2023-04-07 19:26:54,475 INFO [main.py:643]
{rank 0/100} MD step = 195900 step time: 00:00:00.018095 Performance: 124.887 ns/day 0.192 hours/ns 7.227 steps/s 2023-04-07 19:27:03,017 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 195900 39180 50.019 -36186 5482.2 -41668 -41668 1.8353 1.7185 0.59909 3.1367e+05 2023-04-07 19:27:04,880 INFO [main.py:643]
{rank 0/100} MD step = 196000 step time: 00:00:00.017988 Performance: 124.903 ns/day 0.192 hours/ns 7.228 steps/s 2023-04-07 19:27:09,142 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 196000 39200 50.556 -36051 5541 -41592 -41592 1.8355 1.72 0.59899 3.1384e+05 2023-04-07 19:27:10,990 INFO [main.py:643]
{rank 0/100} MD step = 196100 step time: 00:00:00.018215 Performance: 124.938 ns/day 0.192 hours/ns 7.230 steps/s 2023-04-07 19:27:20,932 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 196100 39220 51.034 -36081 5593.4 -41675 -41675 1.837 1.7214 0.60089 3.1398e+05 2023-04-07 19:27:22,759 INFO [main.py:643]
{rank 0/100} MD step = 196200 step time: 00:00:00.017923 Performance: 124.948 ns/day 0.192 hours/ns 7.231 steps/s 2023-04-07 19:27:27,283 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 196200 39240 49.745 -36200 5452.1 -41652 -41652 1.8375 1.7205 0.60125 3.1418e+05 2023-04-07 19:27:29,199 INFO [main.py:643]
{rank 0/100} MD step = 196300 step time: 00:00:00.017890 Performance: 124.982 ns/day 0.192 hours/ns 7.233 steps/s 2023-04-07 19:27:33,482 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 196300 39260 50.305 -36149 5513.5 -41662 -41662 1.8391 1.7201 0.6028 3.1432e+05 2023-04-07 19:27:35,386 INFO [main.py:643]
{rank 0/100} MD step = 196400 step time: 00:00:00.018094 Performance: 125.017 ns/day 0.192 hours/ns 7.235 steps/s 2023-04-07 19:27:36,500 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 196400 39280 50.06 -36125 5486.6 -41612 -41612 1.8385 1.7205 0.60203 3.145e+05 2023-04-07 19:27:38,390 INFO [main.py:643]
{rank 0/100} MD step = 196500 step time: 00:00:00.017891 Performance: 125.067 ns/day 0.192 hours/ns 7.238 steps/s 2023-04-07 19:27:39,763 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 196500 39300 49.252 -36386 5398.1 -41784 -41784 1.8398 1.7222 0.6028 3.1464e+05 2023-04-07 19:27:41,660 INFO [main.py:643]
{rank 0/100} MD step = 196600 step time: 00:00:00.017937 Performance: 125.115 ns/day 0.192 hours/ns 7.240 steps/s 2023-04-07 19:27:50,352 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 196600 39320 50.258 -36179 5508.3 -41688 -41688 1.8431 1.7229 0.60545 3.1483e+05 2023-04-07 19:27:52,232 INFO [main.py:643]
{rank 0/100} MD step = 196700 step time: 00:00:00.018234 Performance: 125.130 ns/day 0.192 hours/ns 7.241 steps/s 2023-04-07 19:28:17,877 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 196700 39340 49.537 -36290 5429.4 -41720 -41720 1.8438 1.7234 0.60486 3.1499e+05 2023-04-07 19:28:19,771 INFO [main.py:643]
{rank 0/100} MD step = 196800 step time: 00:00:00.018034 Performance: 125.067 ns/day 0.192 hours/ns 7.238 steps/s 2023-04-07 19:28:22,778 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 196800 39360 49.815 -36328 5459.8 -41788 -41788 1.8466 1.7239 0.60582 3.1516e+05 2023-04-07 19:28:24,689 INFO [main.py:643]
{rank 0/100} MD step = 196900 step time: 00:00:00.018096 Performance: 125.108 ns/day 0.192 hours/ns 7.240 steps/s 2023-04-07 19:28:27,986 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 196900 39380 49.769 -36342 5454.7 -41797 -41797 1.8503 1.7258 0.60754 3.1534e+05 2023-04-07 19:28:29,890 INFO [main.py:643]
{rank 0/100} MD step = 197000 step time: 00:00:00.018010 Performance: 125.148 ns/day 0.192 hours/ns 7.242 steps/s 2023-04-07 19:28:45,923 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 197000 39400 50.337 -36160 5517 -41677 -41677 1.8507 1.7264 0.60865 3.1549e+05 2023-04-07 19:28:47,757 INFO [main.py:643]
{rank 0/100} MD step = 197100 step time: 00:00:00.017907 Performance: 125.129 ns/day 0.192 hours/ns 7.241 steps/s 2023-04-07 19:29:13,597 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 197100 39420 49.868 -36174 5465.6 -41640 -41640 1.851 1.7247 0.60984 3.1569e+05 2023-04-07 19:29:15,527 INFO [main.py:643]
{rank 0/100} MD step = 197200 step time: 00:00:00.018061 Performance: 125.065 ns/day 0.192 hours/ns 7.238 steps/s 2023-04-07 19:29:20,674 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 197200 39440 49.647 -36229 5441.4 -41671 -41671 1.8548 1.7256 0.6116 3.1583e+05 2023-04-07 19:29:22,566 INFO [main.py:643]
{rank 0/100} MD step = 197300 step time: 00:00:00.017977 Performance: 125.096 ns/day 0.192 hours/ns 7.239 steps/s 2023-04-07 19:30:07,377 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 197300 39460 49.59 -36296 5435.1 -41731 -41731 1.856 1.7268 0.61308 3.1601e+05 2023-04-07 19:30:09,482 INFO [main.py:643]
{rank 0/100} MD step = 197400 step time: 00:00:00.017859 Performance: 124.944 ns/day 0.192 hours/ns 7.231 steps/s 2023-04-07 19:30:10,837 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 197400 39480 49.655 -36191 5442.2 -41633 -41633 1.8569 1.7287 0.61249 3.1619e+05 2023-04-07 19:30:12,772 INFO [main.py:643]
{rank 0/100} MD step = 197500 step time: 00:00:00.018286 Performance: 124.992 ns/day 0.192 hours/ns 7.233 steps/s 2023-04-07 19:30:13,952 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 197500 39500 50.42 -36023 5526.1 -41549 -41549 1.8568 1.7298 0.61224 3.1636e+05 2023-04-07 19:30:15,815 INFO [main.py:643]
{rank 0/100} MD step = 197600 step time: 00:00:00.018097 Performance: 125.042 ns/day 0.192 hours/ns 7.236 steps/s 2023-04-07 19:30:50,514 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 197600 39520 50.281 -36182 5510.9 -41693 -41693 1.8629 1.7298 0.6122 3.1651e+05 2023-04-07 19:30:52,365 INFO [main.py:643]
{rank 0/100} MD step = 197700 step time: 00:00:00.017962 Performance: 124.938 ns/day 0.192 hours/ns 7.230 steps/s 2023-04-07 19:31:05,434 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 197700 39540 49.848 -36335 5463.4 -41798 -41798 1.8615 1.7323 0.61263 3.1666e+05 2023-04-07 19:31:07,327 INFO [main.py:643]
{rank 0/100} MD step = 197800 step time: 00:00:00.018019 Performance: 124.933 ns/day 0.192 hours/ns 7.230 steps/s 2023-04-07 19:31:20,671 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 197800 39560 49.696 -36171 5446.7 -41618 -41618 1.8607 1.7307 0.61166 3.1682e+05 2023-04-07 19:31:22,575 INFO [main.py:643]
{rank 0/100} MD step = 197900 step time: 00:00:00.017960 Performance: 124.926 ns/day 0.192 hours/ns 7.230 steps/s 2023-04-07 19:31:31,164 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 197900 39580 50.259 -36139 5508.4 -41647 -41647 1.8597 1.7328 0.61032 3.1699e+05 2023-04-07 19:31:37,253 INFO [main.py:643]
{rank 0/100} MD step = 198000 step time: 00:00:00.018250 Performance: 124.922 ns/day 0.192 hours/ns 7.229 steps/s 2023-04-07 19:31:44,419 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 198000 39600 49.822 -36202 5460.6 -41663 -41663 1.8627 1.7343 0.60956 3.1716e+05 2023-04-07 19:31:46,380 INFO [main.py:643]
{rank 0/100} MD step = 198100 step time: 00:00:00.018021 Performance: 124.944 ns/day 0.192 hours/ns 7.231 steps/s 2023-04-07 19:31:59,189 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 198100 39620 50.376 -36193 5521.2 -41714 -41714 1.8638 1.7351 0.61026 3.1732e+05 2023-04-07 19:32:01,012 INFO [main.py:643]
{rank 0/100} MD step = 198200 step time: 00:00:00.018151 Performance: 124.940 ns/day 0.192 hours/ns 7.230 steps/s 2023-04-07 19:32:05,903 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 198200 39640 49.791 -36156 5457.2 -41613 -41613 1.8658 1.7349 0.612 3.1749e+05 2023-04-07 19:32:07,848 INFO [main.py:643]
{rank 0/100} MD step = 198300 step time: 00:00:00.023153 Performance: 124.972 ns/day 0.192 hours/ns 7.232 steps/s 2023-04-07 19:32:25,075 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 198300 39660 49.374 -36247 5411.5 -41659 -41659 1.8653 1.735 0.61292 3.1768e+05 2023-04-07 19:32:26,917 INFO [main.py:643]
{rank 0/100} MD step = 198400 step time: 00:00:00.018071 Performance: 124.948 ns/day 0.192 hours/ns 7.231 steps/s 2023-04-07 19:32:31,454 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 198400 39680 49.756 -36268 5453.3 -41721 -41721 1.8674 1.7352 0.61294 3.1782e+05 2023-04-07 19:32:33,345 INFO [main.py:643]
{rank 0/100} MD step = 198500 step time: 00:00:00.017905 Performance: 124.982 ns/day 0.192 hours/ns 7.233 steps/s 2023-04-07 19:32:55,051 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 198500 39700 50.393 -36135 5523.1 -41658 -41658 1.8678 1.7353 0.6137 3.1799e+05 2023-04-07 19:32:56,880 INFO [main.py:643]
{rank 0/100} MD step = 198600 step time: 00:00:00.018322 Performance: 124.938 ns/day 0.192 hours/ns 7.230 steps/s 2023-04-07 19:33:05,601 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 198600 39720 49.931 -36214 5472.5 -41686 -41686 1.8696 1.7358 0.61142 3.1818e+05 2023-04-07 19:33:11,673 INFO [main.py:643]
{rank 0/100} MD step = 198700 step time: 00:00:00.017933 Performance: 124.933 ns/day 0.192 hours/ns 7.230 steps/s 2023-04-07 19:33:31,414 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 198700 39740 50.973 -36155 5586.7 -41742 -41742 1.8701 1.7377 0.61006 3.1833e+05 2023-04-07 19:33:33,299 INFO [main.py:643]
{rank 0/100} MD step = 198800 step time: 00:00:00.017841 Performance: 124.898 ns/day 0.192 hours/ns 7.228 steps/s 2023-04-07 19:33:46,384 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 198800 39760 49.623 -36436 5438.8 -41875 -41875 1.8718 1.7385 0.60935 3.1846e+05 2023-04-07 19:33:48,199 INFO [main.py:643]
{rank 0/100} MD step = 198900 step time: 00:00:00.017941 Performance: 124.893 ns/day 0.192 hours/ns 7.228 steps/s 2023-04-07 19:34:06,064 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 198900 39780 50.177 -36202 5499.5 -41701 -41701 1.8733 1.7379 0.60808 3.1866e+05 2023-04-07 19:34:08,084 INFO [main.py:643]
{rank 0/100} MD step = 199000 step time: 00:00:00.018076 Performance: 124.866 ns/day 0.192 hours/ns 7.226 steps/s 2023-04-07 19:34:29,761 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 199000 39800 49.806 -36259 5458.8 -41718 -41718 1.8756 1.7388 0.60887 3.1882e+05 2023-04-07 19:34:31,574 INFO [main.py:643]
{rank 0/100} MD step = 199100 step time: 00:00:00.018388 Performance: 124.822 ns/day 0.192 hours/ns 7.223 steps/s 2023-04-07 19:34:36,016 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 199100 39820 49.951 -36341 5474.7 -41816 -41816 1.8766 1.7381 0.60822 3.1895e+05 2023-04-07 19:34:37,901 INFO [main.py:643]
{rank 0/100} MD step = 199200 step time: 00:00:00.020822 Performance: 124.856 ns/day 0.192 hours/ns 7.225 steps/s 2023-04-07 19:34:55,129 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 199200 39840 50.379 -36194 5521.6 -41716 -41716 1.8784 1.7393 0.60947 3.1912e+05 2023-04-07 19:34:57,139 INFO [main.py:643]
{rank 0/100} MD step = 199300 step time: 00:00:00.018062 Performance: 124.831 ns/day 0.192 hours/ns 7.224 steps/s 2023-04-07 19:35:10,819 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 199300 39860 50.136 -36093 5495 -41588 -41588 1.8775 1.7407 0.60965 3.1932e+05 2023-04-07 19:35:12,676 INFO [main.py:643]
{rank 0/100} MD step = 199400 step time: 00:00:00.017990 Performance: 124.824 ns/day 0.192 hours/ns 7.224 steps/s 2023-04-07 19:35:33,842 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 199400 39880 49.99 -36159 5478.9 -41638 -41638 1.8806 1.7429 0.6091 3.1944e+05 2023-04-07 19:35:39,976 INFO [main.py:643]
{rank 0/100} MD step = 199500 step time: 00:00:00.018106 Performance: 124.763 ns/day 0.192 hours/ns 7.220 steps/s 2023-04-07 19:35:44,938 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 199500 39900 49.441 -36371 5418.8 -41790 -41790 1.8811 1.7428 0.60993 3.1959e+05 2023-04-07 19:35:46,876 INFO [main.py:643]
{rank 0/100} MD step = 199600 step time: 00:00:00.017942 Performance: 124.794 ns/day 0.192 hours/ns 7.222 steps/s 2023-04-07 19:35:51,609 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 199600 39920 50.44 -36075 5528.3 -41603 -41603 1.8843 1.7426 0.61086 3.1978e+05 2023-04-07 19:35:53,518 INFO [main.py:643]
{rank 0/100} MD step = 199700 step time: 00:00:00.018288 Performance: 124.827 ns/day 0.192 hours/ns 7.224 steps/s 2023-04-07 19:36:06,144 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 199700 39940 50.665 -36125 5553 -41678 -41678 1.8851 1.7429 0.6107 3.1995e+05 2023-04-07 19:36:08,011 INFO [main.py:643]
{rank 0/100} MD step = 199800 step time: 00:00:00.017868 Performance: 124.824 ns/day 0.192 hours/ns 7.224 steps/s 2023-04-07 19:36:29,860 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 199800 39960 50.755 -36139 5562.8 -41702 -41702 1.8864 1.7432 0.6127 3.2011e+05 2023-04-07 19:36:32,113 INFO [main.py:643]
{rank 0/100} MD step = 199900 step time: 00:00:00.018033 Performance: 124.778 ns/day 0.192 hours/ns 7.221 steps/s 2023-04-07 19:36:58,086 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 199900 39980 49.355 -36278 5409.4 -41688 -41688 1.8888 1.7437 0.61243 3.2029e+05 2023-04-07 19:37:00,208 INFO [main.py:643]
{rank 0/100} MD step = 200000 step time: 00:00:00.018258 Performance: 124.714 ns/day 0.192 hours/ns 7.217 steps/s 2023-04-07 19:37:08,342 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 200000 40000 50.227 -36237 5505 -41742 -41742 1.8896 1.7455 0.61156 3.2045e+05 2023-04-07 19:37:10,661 INFO [main.py:643]
{rank 0/100} MD step = 200100 step time: 00:00:00.017966 Performance: 124.729 ns/day 0.192 hours/ns 7.218 steps/s 2023-04-07 19:37:12,369 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 200100 40020 49.82 -36266 5460.3 -41727 -41727 1.8902 1.7468 0.61101 3.2062e+05 2023-04-07 19:37:14,303 INFO [main.py:643]
{rank 0/100} MD step = 200200 step time: 00:00:00.017840 Performance: 124.775 ns/day 0.192 hours/ns 7.221 steps/s 2023-04-07 19:37:27,672 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 200200 40040 50.342 -36182 5517.5 -41700 -41700 1.8921 1.7471 0.61227 3.2079e+05 2023-04-07 19:37:29,719 INFO [main.py:643]
{rank 0/100} MD step = 200300 step time: 00:00:00.018029 Performance: 124.768 ns/day 0.192 hours/ns 7.220 steps/s 2023-04-07 19:37:38,829 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 200300 40060 50.924 -36059 5581.4 -41640 -41640 1.8943 1.7473 0.61333 3.2099e+05 2023-04-07 19:37:40,727 INFO [main.py:643]
{rank 0/100} MD step = 200400 step time: 00:00:00.018157 Performance: 124.781 ns/day 0.192 hours/ns 7.221 steps/s 2023-04-07 19:37:57,823 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 200400 40080 50.335 -36222 5516.8 -41738 -41738 1.8977 1.7479 0.61391 3.2112e+05 2023-04-07 19:37:59,736 INFO [main.py:643]
{rank 0/100} MD step = 200500 step time: 00:00:00.017742 Performance: 124.757 ns/day 0.192 hours/ns 7.220 steps/s 2023-04-07 19:38:21,575 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 200500 40100 49.275 -36328 5400.6 -41729 -41729 1.9003 1.7491 0.61482 3.2127e+05 2023-04-07 19:38:23,436 INFO [main.py:643]
{rank 0/100} MD step = 200600 step time: 00:00:00.017970 Performance: 124.713 ns/day 0.192 hours/ns 7.217 steps/s 2023-04-07 19:38:36,393 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 200600 40120 50.724 -36134 5559.4 -41694 -41694 1.904 1.7489 0.61421 3.2143e+05 2023-04-07 19:38:42,600 INFO [main.py:643]
{rank 0/100} MD step = 200700 step time: 00:00:00.017951 Performance: 124.689 ns/day 0.192 hours/ns 7.216 steps/s 2023-04-07 19:38:51,518 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 200700 40140 49.753 -36158 5453 -41611 -41611 1.9074 1.7496 0.61492 3.216e+05 2023-04-07 19:38:53,444 INFO [main.py:643]
{rank 0/100} MD step = 200800 step time: 00:00:00.018098 Performance: 124.703 ns/day 0.192 hours/ns 7.217 steps/s 2023-04-07 19:39:06,453 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 200800 40160 49.648 -36281 5441.5 -41722 -41722 1.9102 1.7512 0.61611 3.2174e+05 2023-04-07 19:39:08,352 INFO [main.py:643]
{rank 0/100} MD step = 200900 step time: 00:00:00.018176 Performance: 124.698 ns/day 0.192 hours/ns 7.216 steps/s 2023-04-07 19:39:13,021 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 200900 40180 50.486 -36113 5533.4 -41647 -41647 1.9111 1.7512 0.61668 3.219e+05 2023-04-07 19:39:14,870 INFO [main.py:643]
{rank 0/100} MD step = 201000 step time: 00:00:00.018047 Performance: 124.731 ns/day 0.192 hours/ns 7.218 steps/s 2023-04-07 19:39:16,012 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 201000 40200 50.128 -36270 5494.1 -41764 -41764 1.9122 1.7522 0.6172 3.2205e+05 2023-04-07 19:39:17,810 INFO [main.py:643]
{rank 0/100} MD step = 201100 step time: 00:00:00.018041 Performance: 124.780 ns/day 0.192 hours/ns 7.221 steps/s 2023-04-07 19:39:34,392 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 201100 40220 49.97 -36225 5476.8 -41702 -41702 1.9137 1.7548 0.61665 3.2222e+05 2023-04-07 19:39:36,332 INFO [main.py:643]
{rank 0/100} MD step = 201200 step time: 00:00:00.018010 Performance: 124.759 ns/day 0.192 hours/ns 7.220 steps/s 2023-04-07 19:39:49,460 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 201200 40240 49.724 -36274 5449.8 -41724 -41724 1.9166 1.7569 0.61784 3.2237e+05 2023-04-07 19:39:55,318 INFO [main.py:643]
{rank 0/100} MD step = 201300 step time: 00:00:00.018332 Performance: 124.736 ns/day 0.192 hours/ns 7.219 steps/s 2023-04-07 19:40:04,486 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 201300 40260 50.114 -36246 5492.5 -41738 -41738 1.9174 1.7581 0.61937 3.2251e+05 2023-04-07 19:40:06,414 INFO [main.py:643]
{rank 0/100} MD step = 201400 step time: 00:00:00.018068 Performance: 124.748 ns/day 0.192 hours/ns 7.219 steps/s 2023-04-07 19:40:16,079 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 201400 40280 49.845 -36185 5463.1 -41648 -41648 1.9191 1.7585 0.62095 3.227e+05 2023-04-07 19:40:18,191 INFO [main.py:643]
{rank 0/100} MD step = 201500 step time: 00:00:00.017925 Performance: 124.758 ns/day 0.192 hours/ns 7.220 steps/s 2023-04-07 19:40:30,038 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 201500 40300 50.363 -36141 5519.9 -41661 -41661 1.9206 1.759 0.62146 3.2286e+05 2023-04-07 19:40:36,184 INFO [main.py:643]
{rank 0/100} MD step = 201600 step time: 00:00:00.017958 Performance: 124.739 ns/day 0.192 hours/ns 7.219 steps/s 2023-04-07 19:40:45,777 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 201600 40320 50.654 -36282 5551.8 -41834 -41834 1.9229 1.759 0.62242 3.2297e+05 2023-04-07 19:40:47,609 INFO [main.py:643]
{rank 0/100} MD step = 201700 step time: 00:00:00.017973 Performance: 124.750 ns/day 0.192 hours/ns 7.219 steps/s 2023-04-07 19:40:52,502 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 201700 40340 50.875 -36109 5575.9 -41685 -41685 1.9241 1.7607 0.62356 3.2316e+05 2023-04-07 19:40:54,331 INFO [main.py:643]
{rank 0/100} MD step = 201800 step time: 00:00:00.018056 Performance: 124.782 ns/day 0.192 hours/ns 7.221 steps/s 2023-04-07 19:41:03,006 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 201800 40360 49.941 -36144 5473.6 -41618 -41618 1.9214 1.7623 0.62369 3.2334e+05 2023-04-07 19:41:05,061 INFO [main.py:643]
{rank 0/100} MD step = 201900 step time: 00:00:00.024194 Performance: 124.796 ns/day 0.192 hours/ns 7.222 steps/s 2023-04-07 19:41:14,050 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 201900 40380 50.077 -36263 5488.5 -41752 -41752 1.9229 1.7632 0.62474 3.2346e+05 2023-04-07 19:41:15,934 INFO [main.py:643]
{rank 0/100} MD step = 202000 step time: 00:00:00.017994 Performance: 124.809 ns/day 0.192 hours/ns 7.223 steps/s 2023-04-07 19:41:22,516 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 202000 40400 49.749 -36295 5452.5 -41747 -41747 1.9243 1.7635 0.62377 3.2363e+05 2023-04-07 19:41:24,369 INFO [main.py:643]
{rank 0/100} MD step = 202100 step time: 00:00:00.017967 Performance: 124.833 ns/day 0.192 hours/ns 7.224 steps/s 2023-04-07 19:41:44,139 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 202100 40420 49.665 -36245 5443.4 -41689 -41689 1.9245 1.7636 0.62391 3.2379e+05 2023-04-07 19:41:46,166 INFO [main.py:643]
{rank 0/100} MD step = 202200 step time: 00:00:00.018077 Performance: 124.798 ns/day 0.192 hours/ns 7.222 steps/s 2023-04-07 19:41:52,101 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 202200 40440 49.748 -36191 5452.4 -41644 -41644 1.9266 1.7646 0.62529 3.2393e+05 2023-04-07 19:41:53,944 INFO [main.py:643]
{rank 0/100} MD step = 202300 step time: 00:00:00.018105 Performance: 124.825 ns/day 0.192 hours/ns 7.224 steps/s 2023-04-07 19:42:03,032 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 202300 40460 49.706 -36356 5447.8 -41804 -41804 1.9261 1.7659 0.62369 3.2409e+05 2023-04-07 19:42:04,908 INFO [main.py:643]
{rank 0/100} MD step = 202400 step time: 00:00:00.018079 Performance: 124.838 ns/day 0.192 hours/ns 7.224 steps/s 2023-04-07 19:42:25,841 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 202400 40480 50.244 -36129 5506.8 -41636 -41636 1.9264 1.767 0.62386 3.2427e+05 2023-04-07 19:42:27,895 INFO [main.py:643]
{rank 0/100} MD step = 202500 step time: 00:00:00.020967 Performance: 124.797 ns/day 0.192 hours/ns 7.222 steps/s 2023-04-07 19:42:32,841 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 202500 40500 50.464 -36091 5530.9 -41622 -41622 1.9276 1.7682 0.62447 3.2443e+05 2023-04-07 19:42:35,726 INFO [main.py:643]
{rank 0/100} MD step = 202600 step time: 00:00:00.018183 Performance: 124.824 ns/day 0.192 hours/ns 7.224 steps/s 2023-04-07 19:42:49,994 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 202600 40520 51.136 -36119 5604.6 -41724 -41724 1.9272 1.7689 0.62579 3.2456e+05 2023-04-07 19:42:51,841 INFO [main.py:643]
{rank 0/100} MD step = 202700 step time: 00:00:00.018233 Performance: 124.813 ns/day 0.192 hours/ns 7.223 steps/s 2023-04-07 19:43:00,666 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 202700 40540 50.104 -36258 5491.5 -41750 -41750 1.9261 1.7714 0.62605 3.247e+05 2023-04-07 19:43:02,566 INFO [main.py:643]
{rank 0/100} MD step = 202800 step time: 00:00:00.018009 Performance: 124.827 ns/day 0.192 hours/ns 7.224 steps/s 2023-04-07 19:43:07,603 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 202800 40560 49.642 -36312 5440.8 -41753 -41753 1.9251 1.772 0.62712 3.2486e+05 2023-04-07 19:43:12,920 INFO [main.py:643]
{rank 0/100} MD step = 202900 step time: 00:00:00.017954 Performance: 124.843 ns/day 0.192 hours/ns 7.225 steps/s 2023-04-07 19:43:32,877 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 202900 40580 50.345 -36196 5517.9 -41714 -41714 1.9241 1.7718 0.62804 3.2506e+05 2023-04-07 19:43:34,830 INFO [main.py:643]
{rank 0/100} MD step = 203000 step time: 00:00:00.018083 Performance: 124.807 ns/day 0.192 hours/ns 7.223 steps/s 2023-04-07 19:43:39,909 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 203000 40600 50.195 -36115 5501.4 -41616 -41616 1.9267 1.7724 0.63093 3.2523e+05 2023-04-07 19:43:45,137 INFO [main.py:643]
{rank 0/100} MD step = 203100 step time: 00:00:00.018302 Performance: 124.823 ns/day 0.192 hours/ns 7.224 steps/s 2023-04-07 19:43:53,382 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 203100 40620 50.462 -36161 5530.7 -41692 -41692 1.9293 1.7733 0.63084 3.2536e+05 2023-04-07 19:43:55,284 INFO [main.py:643]
{rank 0/100} MD step = 203200 step time: 00:00:00.017943 Performance: 124.839 ns/day 0.192 hours/ns 7.224 steps/s 2023-04-07 19:44:05,377 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 203200 40640 49.759 -36209 5453.7 -41662 -41662 1.9295 1.7746 0.63219 3.2551e+05 2023-04-07 19:44:07,201 INFO [main.py:643]
{rank 0/100} MD step = 203300 step time: 00:00:00.018395 Performance: 124.848 ns/day 0.192 hours/ns 7.225 steps/s 2023-04-07 19:44:32,903 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 203300 40660 50.509 -36111 5535.8 -41647 -41647 1.9329 1.7773 0.63226 3.257e+05 2023-04-07 19:44:34,853 INFO [main.py:643]
{rank 0/100} MD step = 203400 step time: 00:00:00.018122 Performance: 124.786 ns/day 0.192 hours/ns 7.221 steps/s 2023-04-07 19:44:52,559 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 203400 40680 50.961 -36045 5585.4 -41631 -41631 1.9368 1.7777 0.63267 3.2585e+05 2023-04-07 19:44:54,400 INFO [main.py:643]
{rank 0/100} MD step = 203500 step time: 00:00:00.017871 Performance: 124.761 ns/day 0.192 hours/ns 7.220 steps/s 2023-04-07 19:45:20,123 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 203500 40700 50.642 -36190 5550.4 -41740 -41740 1.9386 1.7776 0.63303 3.26e+05 2023-04-07 19:45:21,942 INFO [main.py:643]
{rank 0/100} MD step = 203600 step time: 00:00:00.017993 Performance: 124.701 ns/day 0.192 hours/ns 7.216 steps/s 2023-04-07 19:45:35,419 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 203600 40720 49.076 -36317 5378.8 -41695 -41695 1.9387 1.7785 0.63413 3.2618e+05 2023-04-07 19:45:37,282 INFO [main.py:643]
{rank 0/100} MD step = 203700 step time: 00:00:00.017947 Performance: 124.694 ns/day 0.192 hours/ns 7.216 steps/s 2023-04-07 19:45:50,259 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 203700 40740 50.252 -36243 5507.7 -41751 -41751 1.9394 1.7801 0.63554 3.263e+05 2023-04-07 19:45:56,232 INFO [main.py:643]
{rank 0/100} MD step = 203800 step time: 00:00:00.017941 Performance: 124.672 ns/day 0.193 hours/ns 7.215 steps/s 2023-04-07 19:46:05,488 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 203800 40760 50.655 -36100 5551.9 -41652 -41652 1.9389 1.7796 0.63695 3.2646e+05 2023-04-07 19:46:07,310 INFO [main.py:643]
{rank 0/100} MD step = 203900 step time: 00:00:00.017907 Performance: 124.684 ns/day 0.192 hours/ns 7.216 steps/s 2023-04-07 19:46:12,125 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 203900 40780 49.791 -36196 5457.2 -41653 -41653 1.9404 1.7787 0.63899 3.2662e+05 2023-04-07 19:46:14,201 INFO [main.py:643]
{rank 0/100} MD step = 204000 step time: 00:00:00.018117 Performance: 124.715 ns/day 0.192 hours/ns 7.217 steps/s 2023-04-07 19:46:17,939 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 204000 40800 50.168 -36165 5498.5 -41664 -41664 1.941 1.7794 0.63809 3.2681e+05 2023-04-07 19:46:19,830 INFO [main.py:643]
{rank 0/100} MD step = 204100 step time: 00:00:00.018008 Performance: 124.751 ns/day 0.192 hours/ns 7.219 steps/s 2023-04-07 19:46:39,650 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 204100 40820 49.93 -36117 5472.4 -41589 -41589 1.9421 1.7793 0.63952 3.27e+05 2023-04-07 19:46:41,623 INFO [main.py:643]
{rank 0/100} MD step = 204200 step time: 00:00:00.017949 Performance: 124.716 ns/day 0.192 hours/ns 7.217 steps/s 2023-04-07 19:46:54,822 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 204200 40840 50.023 -36198 5482.6 -41680 -41680 1.9455 1.7781 0.64171 3.2713e+05 2023-04-07 19:46:56,688 INFO [main.py:643]
{rank 0/100} MD step = 204300 step time: 00:00:00.018041 Performance: 124.711 ns/day 0.192 hours/ns 7.217 steps/s 2023-04-07 19:47:14,166 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 204300 40860 50.162 -36143 5497.8 -41640 -41640 1.9479 1.7791 0.64225 3.2732e+05 2023-04-07 19:47:15,986 INFO [main.py:643]
{rank 0/100} MD step = 204400 step time: 00:00:00.017974 Performance: 124.687 ns/day 0.192 hours/ns 7.216 steps/s 2023-04-07 19:47:45,977 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 204400 40880 49.671 -36147 5444 -41591 -41591 1.9511 1.7817 0.64348 3.2747e+05 2023-04-07 19:47:47,802 INFO [main.py:643]
{rank 0/100} MD step = 204500 step time: 00:00:00.017974 Performance: 124.608 ns/day 0.193 hours/ns 7.211 steps/s 2023-04-07 19:47:49,667 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 204500 40900 49.988 -36230 5478.7 -41709 -41709 1.954 1.7822 0.64469 3.2761e+05 2023-04-07 19:47:51,524 INFO [main.py:643]
{rank 0/100} MD step = 204600 step time: 00:00:00.018014 Performance: 124.652 ns/day 0.193 hours/ns 7.214 steps/s 2023-04-07 19:47:55,617 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 204600 40920 49.301 -36254 5403.5 -41658 -41658 1.9549 1.7817 0.64554 3.2779e+05 2023-04-07 19:47:57,462 INFO [main.py:643]
{rank 0/100} MD step = 204700 step time: 00:00:00.017976 Performance: 124.687 ns/day 0.192 hours/ns 7.216 steps/s 2023-04-07 19:48:20,372 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 204700 40940 50.372 -36258 5520.9 -41778 -41778 1.9549 1.782 0.64499 3.2794e+05 2023-04-07 19:48:26,485 INFO [main.py:643]
{rank 0/100} MD step = 204800 step time: 00:00:00.018212 Performance: 124.620 ns/day 0.193 hours/ns 7.212 steps/s 2023-04-07 19:48:37,837 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 204800 40960 50.335 -36097 5516.8 -41614 -41614 1.9571 1.7845 0.64661 3.2811e+05 2023-04-07 19:48:39,703 INFO [main.py:643]
{rank 0/100} MD step = 204900 step time: 00:00:00.018235 Performance: 124.623 ns/day 0.193 hours/ns 7.212 steps/s 2023-04-07 19:48:57,289 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 204900 40980 49.802 -36260 5458.4 -41719 -41719 1.9573 1.7854 0.64726 3.2824e+05 2023-04-07 19:48:59,123 INFO [main.py:643]
{rank 0/100} MD step = 205000 step time: 00:00:00.018263 Performance: 124.599 ns/day 0.193 hours/ns 7.211 steps/s 2023-04-07 19:49:07,839 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 205000 41000 49.051 -36319 5376 -41695 -41695 1.9574 1.7854 0.64697 3.284e+05 2023-04-07 19:49:09,661 INFO [main.py:643]
{rank 0/100} MD step = 205100 step time: 00:00:00.018260 Performance: 124.614 ns/day 0.193 hours/ns 7.211 steps/s 2023-04-07 19:49:28,041 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 205100 41020 50.084 -36204 5489.3 -41693 -41693 1.9599 1.7891 0.64819 3.2856e+05 2023-04-07 19:49:29,836 INFO [main.py:643]
{rank 0/100} MD step = 205200 step time: 00:00:00.018036 Performance: 124.586 ns/day 0.193 hours/ns 7.210 steps/s 2023-04-07 19:49:50,840 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 205200 41040 49.704 -36215 5447.6 -41663 -41663 1.9597 1.7895 0.64854 3.2873e+05 2023-04-07 19:49:52,690 INFO [main.py:643]
{rank 0/100} MD step = 205300 step time: 00:00:00.017978 Performance: 124.547 ns/day 0.193 hours/ns 7.208 steps/s 2023-04-07 19:50:10,262 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 205300 41060 49.155 -36349 5387.4 -41736 -41736 1.9629 1.7901 0.64872 3.2891e+05 2023-04-07 19:50:12,159 INFO [main.py:643]
{rank 0/100} MD step = 205400 step time: 00:00:00.018017 Performance: 124.522 ns/day 0.193 hours/ns 7.206 steps/s 2023-04-07 19:50:21,278 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 205400 41080 49.769 -36225 5454.7 -41679 -41679 1.9647 1.7902 0.64994 3.2907e+05 2023-04-07 19:50:23,166 INFO [main.py:643]
{rank 0/100} MD step = 205500 step time: 00:00:00.017891 Performance: 124.535 ns/day 0.193 hours/ns 7.207 steps/s 2023-04-07 19:50:48,657 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 205500 41100 50.003 -36169 5480.4 -41650 -41650 1.9672 1.7915 0.64932 3.2926e+05 2023-04-07 19:50:50,638 INFO [main.py:643]
{rank 0/100} MD step = 205600 step time: 00:00:00.017967 Performance: 124.475 ns/day 0.193 hours/ns 7.203 steps/s 2023-04-07 19:50:59,906 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 205600 41120 50.411 -36266 5525.1 -41791 -41791 1.9701 1.7917 0.65002 3.2939e+05 2023-04-07 19:51:01,829 INFO [main.py:643]
{rank 0/100} MD step = 205700 step time: 00:00:00.017978 Performance: 124.487 ns/day 0.193 hours/ns 7.204 steps/s 2023-04-07 19:51:19,455 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 205700 41140 49.325 -36242 5406 -41648 -41648 1.9708 1.7925 0.65124 3.2958e+05 2023-04-07 19:51:21,339 INFO [main.py:643]
{rank 0/100} MD step = 205800 step time: 00:00:00.018052 Performance: 124.463 ns/day 0.193 hours/ns 7.203 steps/s 2023-04-07 19:51:25,257 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 205800 41160 50.53 -36104 5538.2 -41643 -41643 1.971 1.7941 0.65185 3.2974e+05 2023-04-07 19:51:27,140 INFO [main.py:643]
{rank 0/100} MD step = 205900 step time: 00:00:00.019623 Performance: 124.498 ns/day 0.193 hours/ns 7.205 steps/s 2023-04-07 19:51:28,221 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 205900 41180 51.235 -36032 5615.4 -41647 -41647 1.9732 1.7926 0.65185 3.2988e+05 2023-04-07 19:51:30,163 INFO [main.py:643]
{rank 0/100} MD step = 206000 step time: 00:00:00.017898 Performance: 124.545 ns/day 0.193 hours/ns 7.207 steps/s 2023-04-07 19:51:42,936 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 206000 41200 49.619 -36223 5438.3 -41662 -41662 1.9746 1.7946 0.65271 3.3006e+05 2023-04-07 19:51:44,866 INFO [main.py:643]
{rank 0/100} MD step = 206100 step time: 00:00:00.017957 Performance: 124.542 ns/day 0.193 hours/ns 7.207 steps/s 2023-04-07 19:51:57,548 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 206100 41220 49.847 -36329 5463.2 -41792 -41792 1.974 1.7959 0.65259 3.302e+05 2023-04-07 19:51:59,519 INFO [main.py:643]
{rank 0/100} MD step = 206200 step time: 00:00:00.018095 Performance: 124.538 ns/day 0.193 hours/ns 7.207 steps/s 2023-04-07 19:52:04,203 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 206200 41240 50.41 -36189 5525 -41714 -41714 1.9761 1.7976 0.6535 3.3036e+05 2023-04-07 19:52:06,064 INFO [main.py:643]
{rank 0/100} MD step = 206300 step time: 00:00:00.017905 Performance: 124.570 ns/day 0.193 hours/ns 7.209 steps/s 2023-04-07 19:52:10,698 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 206300 41260 49.554 -36270 5431.2 -41701 -41701 1.9766 1.7991 0.65419 3.3054e+05 2023-04-07 19:52:12,532 INFO [main.py:643]
{rank 0/100} MD step = 206400 step time: 00:00:00.017983 Performance: 124.602 ns/day 0.193 hours/ns 7.211 steps/s 2023-04-07 19:52:34,432 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 206400 41280 49.788 -36165 5456.8 -41622 -41622 1.9779 1.7985 0.65622 3.307e+05 2023-04-07 19:52:36,464 INFO [main.py:643]
{rank 0/100} MD step = 206500 step time: 00:00:00.017910 Performance: 124.558 ns/day 0.193 hours/ns 7.208 steps/s 2023-04-07 19:52:49,530 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 206500 41300 50.082 -36158 5489 -41647 -41647 1.9794 1.7986 0.65651 3.3086e+05 2023-04-07 19:52:51,426 INFO [main.py:643]
{rank 0/100} MD step = 206600 step time: 00:00:00.017946 Performance: 124.554 ns/day 0.193 hours/ns 7.208 steps/s 2023-04-07 19:53:04,032 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 206600 41320 50.032 -36198 5483.6 -41681 -41681 1.9827 1.7991 0.65884 3.3104e+05 2023-04-07 19:53:05,883 INFO [main.py:643]
{rank 0/100} MD step = 206700 step time: 00:00:00.017793 Performance: 124.551 ns/day 0.193 hours/ns 7.208 steps/s 2023-04-07 19:53:19,838 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 206700 41340 50.123 -36113 5493.5 -41606 -41606 1.9835 1.7995 0.65984 3.3119e+05 2023-04-07 19:53:21,688 INFO [main.py:643]
{rank 0/100} MD step = 206800 step time: 00:00:00.018152 Performance: 124.543 ns/day 0.193 hours/ns 7.207 steps/s 2023-04-07 19:53:29,971 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 206800 41360 49.098 -36124 5381.2 -41505 -41505 1.9855 1.7987 0.65985 3.3141e+05 2023-04-07 19:53:31,808 INFO [main.py:643]
{rank 0/100} MD step = 206900 step time: 00:00:00.018035 Performance: 124.559 ns/day 0.193 hours/ns 7.208 steps/s 2023-04-07 19:53:37,260 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 206900 41380 49.96 -36257 5475.7 -41732 -41732 1.988 1.8006 0.65855 3.3151e+05 2023-04-07 19:53:39,101 INFO [main.py:643]
{rank 0/100} MD step = 207000 step time: 00:00:00.019990 Performance: 124.588 ns/day 0.193 hours/ns 7.210 steps/s 2023-04-07 19:53:47,106 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 207000 41400 49.833 -36219 5461.8 -41681 -41681 1.9896 1.8013 0.65918 3.3167e+05 2023-04-07 19:53:49,036 INFO [main.py:643]
{rank 0/100} MD step = 207100 step time: 00:00:00.018020 Performance: 124.605 ns/day 0.193 hours/ns 7.211 steps/s 2023-04-07 19:53:55,615 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 207100 41420 50.372 -36216 5520.8 -41737 -41737 1.989 1.8002 0.65836 3.3181e+05 2023-04-07 19:53:57,452 INFO [main.py:643]
{rank 0/100} MD step = 207200 step time: 00:00:00.017878 Performance: 124.628 ns/day 0.193 hours/ns 7.212 steps/s 2023-04-07 19:54:06,674 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 207200 41440 50.58 -36142 5543.7 -41686 -41686 1.9903 1.7997 0.6575 3.32e+05 2023-04-07 19:54:08,486 INFO [main.py:643]
{rank 0/100} MD step = 207300 step time: 00:00:00.017995 Performance: 124.641 ns/day 0.193 hours/ns 7.213 steps/s 2023-04-07 19:54:10,174 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 207300 41460 50.238 -36233 5506.1 -41740 -41740 1.9913 1.7991 0.65836 3.3215e+05 2023-04-07 19:54:12,638 INFO [main.py:643]
{rank 0/100} MD step = 207400 step time: 00:00:00.017916 Performance: 124.683 ns/day 0.192 hours/ns 7.215 steps/s 2023-04-07 19:54:29,814 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 207400 41480 49.437 -36157 5418.4 -41576 -41576 1.9946 1.7994 0.65889 3.3234e+05 2023-04-07 19:54:31,910 INFO [main.py:643]
{rank 0/100} MD step = 207500 step time: 00:00:00.018776 Performance: 124.659 ns/day 0.193 hours/ns 7.214 steps/s 2023-04-07 19:54:36,694 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 207500 41500 49.798 -36269 5457.9 -41727 -41727 1.997 1.8007 0.65988 3.3249e+05 2023-04-07 19:54:38,635 INFO [main.py:643]
{rank 0/100} MD step = 207600 step time: 00:00:00.018244 Performance: 124.690 ns/day 0.192 hours/ns 7.216 steps/s 2023-04-07 19:54:45,918 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 207600 41520 50.369 -36165 5520.5 -41686 -41686 1.9963 1.8024 0.66145 3.3265e+05 2023-04-07 19:54:47,814 INFO [main.py:643]
{rank 0/100} MD step = 207700 step time: 00:00:00.018163 Performance: 124.710 ns/day 0.192 hours/ns 7.217 steps/s 2023-04-07 19:54:51,381 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 207700 41540 49.566 -36324 5432.5 -41756 -41756 1.9993 1.8014 0.66246 3.3277e+05 2023-04-07 19:54:53,237 INFO [main.py:643]
{rank 0/100} MD step = 207800 step time: 00:00:00.018105 Performance: 124.747 ns/day 0.192 hours/ns 7.219 steps/s 2023-04-07 19:55:02,759 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 207800 41560 50.309 -36117 5513.9 -41631 -41631 2.0014 1.8017 0.66216 3.3297e+05 2023-04-07 19:55:04,738 INFO [main.py:643]
{rank 0/100} MD step = 207900 step time: 00:00:00.018314 Performance: 124.757 ns/day 0.192 hours/ns 7.220 steps/s 2023-04-07 19:55:08,804 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 207900 41580 49.985 -36124 5478.4 -41602 -41602 2.0032 1.8014 0.66303 3.3314e+05 2023-04-07 19:55:10,682 INFO [main.py:643]
{rank 0/100} MD step = 208000 step time: 00:00:00.018236 Performance: 124.791 ns/day 0.192 hours/ns 7.222 steps/s 2023-04-07 19:55:11,919 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 208000 41600 49.682 -36338 5445.2 -41783 -41783 2.0065 1.8016 0.66496 3.3327e+05 2023-04-07 19:55:13,851 INFO [main.py:643]
{rank 0/100} MD step = 208100 step time: 00:00:00.018078 Performance: 124.838 ns/day 0.192 hours/ns 7.224 steps/s 2023-04-07 19:55:21,479 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 208100 41620 49.593 -36264 5435.5 -41700 -41700 2.0057 1.8029 0.66554 3.3343e+05 2023-04-07 19:55:23,441 INFO [main.py:643]
{rank 0/100} MD step = 208200 step time: 00:00:00.018069 Performance: 124.856 ns/day 0.192 hours/ns 7.225 steps/s 2023-04-07 19:55:32,404 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 208200 41640 50.273 -36214 5510 -41724 -41724 2.0062 1.8042 0.66514 3.3356e+05 2023-04-07 19:55:34,208 INFO [main.py:643]
{rank 0/100} MD step = 208300 step time: 00:00:00.018024 Performance: 124.869 ns/day 0.192 hours/ns 7.226 steps/s 2023-04-07 19:55:43,536 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 208300 41660 50.052 -36225 5485.8 -41711 -41711 2.0078 1.8048 0.66498 3.3374e+05 2023-04-07 19:55:45,382 INFO [main.py:643]
{rank 0/100} MD step = 208400 step time: 00:00:00.017851 Performance: 124.881 ns/day 0.192 hours/ns 7.227 steps/s 2023-04-07 19:55:46,761 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 208400 41680 49.959 -36190 5475.5 -41666 -41666 2.0098 1.8042 0.66534 3.3388e+05 2023-04-07 19:55:48,630 INFO [main.py:643]
{rank 0/100} MD step = 208500 step time: 00:00:00.018018 Performance: 124.927 ns/day 0.192 hours/ns 7.230 steps/s 2023-04-07 19:55:56,428 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 208500 41700 50.091 -36172 5490.1 -41662 -41662 2.0103 1.8048 0.66608 3.34e+05 2023-04-07 19:55:58,277 INFO [main.py:643]
{rank 0/100} MD step = 208600 step time: 00:00:00.018008 Performance: 124.945 ns/day 0.192 hours/ns 7.231 steps/s 2023-04-07 19:56:06,940 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 208600 41720 49.873 -36313 5466.1 -41779 -41779 2.0096 1.8058 0.66861 3.3416e+05 2023-04-07 19:56:08,959 INFO [main.py:643]
{rank 0/100} MD step = 208700 step time: 00:00:00.018027 Performance: 124.959 ns/day 0.192 hours/ns 7.231 steps/s 2023-04-07 19:56:21,970 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 208700 41740 49.488 -36241 5424 -41665 -41665 2.0116 1.8069 0.6688 3.3433e+05 2023-04-07 19:56:23,918 INFO [main.py:643]
{rank 0/100} MD step = 208800 step time: 00:00:00.017919 Performance: 124.954 ns/day 0.192 hours/ns 7.231 steps/s 2023-04-07 19:56:34,804 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 208800 41760 49.482 -36221 5423.3 -41644 -41644 2.0104 1.8073 0.66909 3.3451e+05 2023-04-07 19:56:36,711 INFO [main.py:643]
{rank 0/100} MD step = 208900 step time: 00:00:00.018091 Performance: 124.958 ns/day 0.192 hours/ns 7.231 steps/s 2023-04-07 19:56:58,466 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 208900 41780 50.44 -36208 5528.3 -41736 -41736 2.0099 1.8094 0.66976 3.3464e+05 2023-04-07 19:57:00,419 INFO [main.py:643]
{rank 0/100} MD step = 209000 step time: 00:00:00.017975 Performance: 124.915 ns/day 0.192 hours/ns 7.229 steps/s 2023-04-07 19:57:05,256 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 209000 41800 50.562 -36092 5541.7 -41634 -41634 2.0112 1.8126 0.66962 3.3483e+05 2023-04-07 19:57:07,146 INFO [main.py:643]
{rank 0/100} MD step = 209100 step time: 00:00:00.017981 Performance: 124.946 ns/day 0.192 hours/ns 7.231 steps/s 2023-04-07 19:57:19,717 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 209100 41820 49.779 -36138 5455.8 -41593 -41593 2.0145 1.814 0.67137 3.3499e+05 2023-04-07 19:57:21,680 INFO [main.py:643]
{rank 0/100} MD step = 209200 step time: 00:00:00.018075 Performance: 124.943 ns/day 0.192 hours/ns 7.231 steps/s 2023-04-07 19:57:30,681 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 209200 41840 50.17 -36246 5498.7 -41744 -41744 2.015 1.8149 0.67091 3.3512e+05 2023-04-07 19:57:32,523 INFO [main.py:643]
{rank 0/100} MD step = 209300 step time: 00:00:00.017974 Performance: 124.956 ns/day 0.192 hours/ns 7.231 steps/s 2023-04-07 19:57:39,140 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 209300 41860 50.524 -36264 5537.5 -41802 -41802 2.0159 1.8155 0.67349 3.3528e+05 2023-04-07 19:57:41,063 INFO [main.py:643]
{rank 0/100} MD step = 209400 step time: 00:00:00.018012 Performance: 124.979 ns/day 0.192 hours/ns 7.233 steps/s 2023-04-07 19:57:54,269 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 209400 41880 49.632 -36287 5439.8 -41727 -41727 2.0186 1.8152 0.67554 3.3544e+05 2023-04-07 19:57:56,173 INFO [main.py:643]
{rank 0/100} MD step = 209500 step time: 00:00:00.018054 Performance: 124.973 ns/day 0.192 hours/ns 7.232 steps/s 2023-04-07 19:58:13,449 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 209500 41900 49.876 -36152 5466.5 -41618 -41618 2.0217 1.8168 0.6745 3.3564e+05 2023-04-07 19:58:15,276 INFO [main.py:643]
{rank 0/100} MD step = 209600 step time: 00:00:00.018225 Performance: 124.951 ns/day 0.192 hours/ns 7.231 steps/s 2023-04-07 19:58:28,352 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 209600 41920 50.473 -36138 5531.9 -41670 -41670 2.0237 1.8163 0.67601 3.3579e+05 2023-04-07 19:58:30,360 INFO [main.py:643]
{rank 0/100} MD step = 209700 step time: 00:00:00.017927 Performance: 124.945 ns/day 0.192 hours/ns 7.231 steps/s 2023-04-07 19:58:35,378 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 209700 41940 49.884 -36182 5467.3 -41649 -41649 2.024 1.8176 0.67619 3.3595e+05 2023-04-07 19:58:37,290 INFO [main.py:643]
{rank 0/100} MD step = 209800 step time: 00:00:00.017970 Performance: 124.975 ns/day 0.192 hours/ns 7.232 steps/s 2023-04-07 19:58:45,694 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 209800 41960 50.792 -36148 5566.8 -41715 -41715 2.0263 1.8179 0.67634 3.3611e+05 2023-04-07 19:58:47,542 INFO [main.py:643]
{rank 0/100} MD step = 209900 step time: 00:00:00.018075 Performance: 124.990 ns/day 0.192 hours/ns 7.233 steps/s 2023-04-07 19:58:48,658 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 209900 41980 50.15 -36109 5496.5 -41605 -41605 2.0289 1.819 0.67678 3.3631e+05 2023-04-07 19:58:50,599 INFO [main.py:643]
{rank 0/100} MD step = 210000 step time: 00:00:00.018009 Performance: 125.037 ns/day 0.192 hours/ns 7.236 steps/s 2023-04-07 19:58:54,682 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 210000 42000 50.162 -36158 5497.8 -41655 -41655 2.0319 1.8208 0.67537 3.3645e+05 2023-04-07 19:58:56,566 INFO [main.py:643]
{rank 0/100} MD step = 210100 step time: 00:00:00.017818 Performance: 125.070 ns/day 0.192 hours/ns 7.238 steps/s 2023-04-07 19:59:01,187 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 210100 42020 50.561 -36189 5541.6 -41730 -41730 2.0323 1.8217 0.67745 3.3659e+05 2023-04-07 19:59:03,051 INFO [main.py:643]
{rank 0/100} MD step = 210200 step time: 00:00:00.018040 Performance: 125.102 ns/day 0.192 hours/ns 7.240 steps/s 2023-04-07 19:59:16,020 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 210200 42040 49.268 -36207 5399.8 -41607 -41607 2.0355 1.8233 0.6767 3.3675e+05 2023-04-07 19:59:21,462 INFO [main.py:643]
{rank 0/100} MD step = 210300 step time: 00:00:00.018131 Performance: 125.082 ns/day 0.192 hours/ns 7.239 steps/s 2023-04-07 19:59:22,625 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 210300 42060 50.903 -36018 5579 -41597 -41597 2.0372 1.8254 0.67674 3.3695e+05 2023-04-07 19:59:27,892 INFO [main.py:643]
{rank 0/100} MD step = 210400 step time: 00:00:00.021069 Performance: 125.114 ns/day 0.192 hours/ns 7.240 steps/s 2023-04-07 19:59:45,930 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 210400 42080 49.53 -36207 5428.5 -41635 -41635 2.0379 1.8262 0.67725 3.3711e+05 2023-04-07 19:59:47,874 INFO [main.py:643]
{rank 0/100} MD step = 210500 step time: 00:00:00.020894 Performance: 125.088 ns/day 0.192 hours/ns 7.239 steps/s 2023-04-07 19:59:57,207 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 210500 42100 49.822 -36301 5460.6 -41762 -41762 2.0409 1.8275 0.67872 3.3727e+05 2023-04-07 19:59:59,108 INFO [main.py:643]
{rank 0/100} MD step = 210600 step time: 00:00:00.017933 Performance: 125.099 ns/day 0.192 hours/ns 7.240 steps/s 2023-04-07 20:00:07,709 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 210600 42120 50.41 -36090 5525 -41615 -41615 2.0423 1.828 0.67983 3.3746e+05 2023-04-07 20:00:09,706 INFO [main.py:643]
{rank 0/100} MD step = 210700 step time: 00:00:00.017932 Performance: 125.112 ns/day 0.192 hours/ns 7.240 steps/s 2023-04-07 20:00:15,816 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 210700 42140 50.076 -36251 5488.3 -41740 -41740 2.0416 1.8302 0.67936 3.3761e+05 2023-04-07 20:00:17,711 INFO [main.py:643]
{rank 0/100} MD step = 210800 step time: 00:00:00.017944 Performance: 125.137 ns/day 0.192 hours/ns 7.242 steps/s 2023-04-07 20:00:23,327 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 210800 42160 50.309 -36108 5513.9 -41622 -41622 2.0429 1.832 0.6804 3.378e+05 2023-04-07 20:00:25,185 INFO [main.py:643]
{rank 0/100} MD step = 210900 step time: 00:00:00.018015 Performance: 125.165 ns/day 0.192 hours/ns 7.243 steps/s 2023-04-07 20:00:29,202 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 210900 42180 49.562 -36248 5432.1 -41680 -41680 2.0452 1.8322 0.68186 3.3798e+05 2023-04-07 20:00:34,447 INFO [main.py:643]
{rank 0/100} MD step = 211000 step time: 00:00:00.019907 Performance: 125.184 ns/day 0.192 hours/ns 7.244 steps/s 2023-04-07 20:00:35,579 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 211000 42200 50.587 -36113 5544.4 -41657 -41657 2.0464 1.8323 0.68185 3.3815e+05 2023-04-07 20:00:37,517 INFO [main.py:643]
{rank 0/100} MD step = 211100 step time: 00:00:00.017866 Performance: 125.230 ns/day 0.192 hours/ns 7.247 steps/s 2023-04-07 20:00:50,151 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 211100 42220 49.711 -36200 5448.4 -41648 -41648 2.0467 1.835 0.68208 3.3831e+05 2023-04-07 20:00:52,012 INFO [main.py:643]
{rank 0/100} MD step = 211200 step time: 00:00:00.017994 Performance: 125.227 ns/day 0.192 hours/ns 7.247 steps/s 2023-04-07 20:01:00,878 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 211200 42240 50.265 -36245 5509.2 -41754 -41754 2.0472 1.8363 0.68269 3.3847e+05 2023-04-07 20:01:02,731 INFO [main.py:643]
{rank 0/100} MD step = 211300 step time: 00:00:00.018084 Performance: 125.241 ns/day 0.192 hours/ns 7.248 steps/s 2023-04-07 20:01:16,996 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 211300 42260 50.729 -36204 5560 -41764 -41764 2.048 1.8362 0.68328 3.3864e+05 2023-04-07 20:01:18,912 INFO [main.py:643]
{rank 0/100} MD step = 211400 step time: 00:00:00.018019 Performance: 125.230 ns/day 0.192 hours/ns 7.247 steps/s 2023-04-07 20:01:27,392 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 211400 42280 49.422 -36272 5416.7 -41689 -41689 2.0498 1.8376 0.68274 3.388e+05 2023-04-07 20:01:29,234 INFO [main.py:643]
{rank 0/100} MD step = 211500 step time: 00:00:00.018141 Performance: 125.245 ns/day 0.192 hours/ns 7.248 steps/s 2023-04-07 20:01:32,943 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 211500 42300 50.077 -36263 5488.5 -41751 -41751 2.0503 1.837 0.68145 3.3896e+05 2023-04-07 20:01:34,825 INFO [main.py:643]
{rank 0/100} MD step = 211600 step time: 00:00:00.018012 Performance: 125.280 ns/day 0.192 hours/ns 7.250 steps/s 2023-04-07 20:01:48,557 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 211600 42320 49.904 -36169 5469.6 -41639 -41639 2.051 1.837 0.68221 3.3915e+05 2023-04-07 20:01:50,382 INFO [main.py:643]
{rank 0/100} MD step = 211700 step time: 00:00:00.018089 Performance: 125.273 ns/day 0.192 hours/ns 7.250 steps/s 2023-04-07 20:02:03,402 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 211700 42340 49.681 -36177 5445.1 -41622 -41622 2.052 1.8374 0.68312 3.3931e+05 2023-04-07 20:02:05,267 INFO [main.py:643]
{rank 0/100} MD step = 211800 step time: 00:00:00.018405 Performance: 125.268 ns/day 0.192 hours/ns 7.249 steps/s 2023-04-07 20:02:14,232 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 211800 42360 49.834 -36234 5461.9 -41696 -41696 2.0527 1.8375 0.68268 3.3943e+05 2023-04-07 20:02:16,172 INFO [main.py:643]
{rank 0/100} MD step = 211900 step time: 00:00:00.017851 Performance: 125.281 ns/day 0.192 hours/ns 7.250 steps/s 2023-04-07 20:02:24,794 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 211900 42380 49.339 -36294 5407.6 -41702 -41702 2.0506 1.8379 0.68234 3.3961e+05 2023-04-07 20:02:30,334 INFO [main.py:643]
{rank 0/100} MD step = 212000 step time: 00:00:00.018269 Performance: 125.279 ns/day 0.192 hours/ns 7.250 steps/s 2023-04-07 20:02:31,471 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 212000 42400 49.653 -36231 5442 -41673 -41673 2.0534 1.8387 0.68345 3.398e+05 2023-04-07 20:02:33,333 INFO [main.py:643]
{rank 0/100} MD step = 212100 step time: 00:00:00.017955 Performance: 125.325 ns/day 0.192 hours/ns 7.253 steps/s 2023-04-07 20:02:34,531 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 212100 42420 50.485 -36231 5533.2 -41764 -41764 2.0546 1.8387 0.68131 3.3994e+05 2023-04-07 20:02:36,350 INFO [main.py:643]
{rank 0/100} MD step = 212200 step time: 00:00:00.018123 Performance: 125.371 ns/day 0.191 hours/ns 7.255 steps/s 2023-04-07 20:02:37,462 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 212200 42440 49.99 -36299 5479 -41778 -41778 2.0555 1.8386 0.68162 3.401e+05 2023-04-07 20:02:39,390 INFO [main.py:643]
{rank 0/100} MD step = 212300 step time: 00:00:00.018038 Performance: 125.417 ns/day 0.191 hours/ns 7.258 steps/s 2023-04-07 20:02:40,367 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 212300 42460 50.349 -36230 5518.3 -41749 -41749 2.0553 1.8391 0.68227 3.4029e+05 2023-04-07 20:02:45,480 INFO [main.py:643]
{rank 0/100} MD step = 212400 step time: 00:00:00.018219 Performance: 125.450 ns/day 0.191 hours/ns 7.260 steps/s 2023-04-07 20:02:50,656 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 212400 42480 50.123 -36129 5493.6 -41622 -41622 2.0613 1.8404 0.68139 3.4045e+05 2023-04-07 20:02:52,528 INFO [main.py:643]
{rank 0/100} MD step = 212500 step time: 00:00:00.017985 Performance: 125.479 ns/day 0.191 hours/ns 7.262 steps/s 2023-04-07 20:03:09,570 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 212500 42500 49.933 -36312 5472.7 -41785 -41785 2.0628 1.8417 0.68091 3.4057e+05 2023-04-07 20:03:11,692 INFO [main.py:643]
{rank 0/100} MD step = 212600 step time: 00:00:00.017922 Performance: 125.456 ns/day 0.191 hours/ns 7.260 steps/s 2023-04-07 20:03:13,105 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 212600 42520 49.885 -36243 5467.5 -41711 -41711 2.0645 1.8442 0.68199 3.4074e+05 2023-04-07 20:03:14,961 INFO [main.py:643]
{rank 0/100} MD step = 212700 step time: 00:00:00.018082 Performance: 125.501 ns/day 0.191 hours/ns 7.263 steps/s 2023-04-07 20:03:26,837 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 212700 42540 49.505 -36178 5425.9 -41604 -41604 2.0654 1.8462 0.68358 3.4091e+05 2023-04-07 20:03:28,747 INFO [main.py:643]
{rank 0/100} MD step = 212800 step time: 00:00:00.018143 Performance: 125.501 ns/day 0.191 hours/ns 7.263 steps/s 2023-04-07 20:03:37,902 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 212800 42560 50.135 -36227 5494.9 -41722 -41722 2.065 1.8476 0.68464 3.4106e+05 2023-04-07 20:03:39,785 INFO [main.py:643]
{rank 0/100} MD step = 212900 step time: 00:00:00.018176 Performance: 125.513 ns/day 0.191 hours/ns 7.263 steps/s 2023-04-07 20:03:48,745 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 212900 42580 50.35 -36176 5518.4 -41695 -41695 2.0656 1.8485 0.68448 3.4123e+05 2023-04-07 20:03:50,622 INFO [main.py:643]
{rank 0/100} MD step = 213000 step time: 00:00:00.017886 Performance: 125.525 ns/day 0.191 hours/ns 7.264 steps/s 2023-04-07 20:03:58,956 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 213000 42600 50.856 -36160 5573.8 -41734 -41734 2.0666 1.8488 0.68497 3.414e+05 2023-04-07 20:04:05,020 INFO [main.py:643]
{rank 0/100} MD step = 213100 step time: 00:00:00.017824 Performance: 125.523 ns/day 0.191 hours/ns 7.264 steps/s 2023-04-07 20:04:14,162 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 213100 42620 49.958 -36185 5475.5 -41661 -41661 2.0678 1.8478 0.68555 3.4157e+05 2023-04-07 20:04:16,042 INFO [main.py:643]
{rank 0/100} MD step = 213200 step time: 00:00:00.018154 Performance: 125.534 ns/day 0.191 hours/ns 7.265 steps/s 2023-04-07 20:04:20,434 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 213200 42640 50.187 -36082 5500.6 -41582 -41582 2.0673 1.8488 0.68644 3.4174e+05 2023-04-07 20:04:22,327 INFO [main.py:643]
{rank 0/100} MD step = 213300 step time: 00:00:00.018104 Performance: 125.566 ns/day 0.191 hours/ns 7.267 steps/s 2023-04-07 20:04:40,790 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 213300 42660 49.752 -36284 5452.9 -41737 -41737 2.0677 1.8498 0.68747 3.4187e+05 2023-04-07 20:04:42,662 INFO [main.py:643]
{rank 0/100} MD step = 213400 step time: 00:00:00.018052 Performance: 125.538 ns/day 0.191 hours/ns 7.265 steps/s 2023-04-07 20:04:54,920 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 213400 42680 51.061 -36134 5596.4 -41731 -41731 2.0682 1.8499 0.68617 3.4204e+05 2023-04-07 20:04:56,754 INFO [main.py:643]
{rank 0/100} MD step = 213500 step time: 00:00:00.018108 Performance: 125.537 ns/day 0.191 hours/ns 7.265 steps/s 2023-04-07 20:05:14,451 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 213500 42700 49.793 -36199 5457.4 -41657 -41657 2.069 1.8507 0.68472 3.4224e+05 2023-04-07 20:05:16,307 INFO [main.py:643]
{rank 0/100} MD step = 213600 step time: 00:00:00.018010 Performance: 125.512 ns/day 0.191 hours/ns 7.263 steps/s 2023-04-07 20:05:25,223 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 213600 42720 49.494 -36251 5424.6 -41676 -41676 2.0736 1.8516 0.68392 3.424e+05 2023-04-07 20:05:31,183 INFO [main.py:643]
{rank 0/100} MD step = 213700 step time: 00:00:00.017995 Performance: 125.507 ns/day 0.191 hours/ns 7.263 steps/s 2023-04-07 20:05:32,276 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 213700 42740 50.582 -36134 5543.9 -41678 -41678 2.0759 1.8521 0.68471 3.4254e+05 2023-04-07 20:05:34,321 INFO [main.py:643]
{rank 0/100} MD step = 213800 step time: 00:00:00.018045 Performance: 125.553 ns/day 0.191 hours/ns 7.266 steps/s 2023-04-07 20:05:38,110 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 213800 42760 49.344 -36249 5408.2 -41657 -41657 2.0765 1.8531 0.68508 3.427e+05 2023-04-07 20:05:39,999 INFO [main.py:643]
{rank 0/100} MD step = 213900 step time: 00:00:00.017992 Performance: 125.587 ns/day 0.191 hours/ns 7.268 steps/s 2023-04-07 20:05:56,963 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 213900 42780 51.123 -36128 5603.2 -41731 -41731 2.0748 1.8534 0.68568 3.4284e+05 2023-04-07 20:05:58,825 INFO [main.py:643]
{rank 0/100} MD step = 214000 step time: 00:00:00.018131 Performance: 125.566 ns/day 0.191 hours/ns 7.267 steps/s 2023-04-07 20:06:07,905 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 214000 42800 49.587 -36378 5434.8 -41812 -41812 2.0784 1.854 0.68626 3.43e+05 2023-04-07 20:06:09,877 INFO [main.py:643]
{rank 0/100} MD step = 214100 step time: 00:00:00.017924 Performance: 125.577 ns/day 0.191 hours/ns 7.267 steps/s 2023-04-07 20:06:35,693 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 214100 42820 49.749 -36241 5452.6 -41693 -41693 2.0805 1.8535 0.68762 3.4319e+05 2023-04-07 20:06:37,787 INFO [main.py:643]
{rank 0/100} MD step = 214200 step time: 00:00:00.017997 Performance: 125.517 ns/day 0.191 hours/ns 7.264 steps/s 2023-04-07 20:06:55,057 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 214200 42840 50.778 -36108 5565.4 -41673 -41673 2.0835 1.854 0.68771 3.4335e+05 2023-04-07 20:06:57,132 INFO [main.py:643]
{rank 0/100} MD step = 214300 step time: 00:00:00.017886 Performance: 125.493 ns/day 0.191 hours/ns 7.262 steps/s 2023-04-07 20:07:10,111 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 214300 42860 49.64 -36115 5440.6 -41556 -41556 2.0854 1.8545 0.68836 3.4353e+05 2023-04-07 20:07:12,100 INFO [main.py:643]
{rank 0/100} MD step = 214400 step time: 00:00:00.018743 Performance: 125.488 ns/day 0.191 hours/ns 7.262 steps/s 2023-04-07 20:07:36,373 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 214400 42880 50.569 -36074 5542.4 -41616 -41616 2.0864 1.8554 0.68804 3.4367e+05 2023-04-07 20:07:38,194 INFO [main.py:643]
{rank 0/100} MD step = 214500 step time: 00:00:00.018227 Performance: 125.436 ns/day 0.191 hours/ns 7.259 steps/s 2023-04-07 20:07:55,254 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 214500 42900 49.895 -36217 5468.6 -41686 -41686 2.089 1.8562 0.68846 3.4383e+05 2023-04-07 20:07:57,180 INFO [main.py:643]
{rank 0/100} MD step = 214600 step time: 00:00:00.018033 Performance: 125.414 ns/day 0.191 hours/ns 7.258 steps/s 2023-04-07 20:08:18,783 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 214600 42920 50.309 -36174 5513.9 -41688 -41688 2.0883 1.8576 0.68904 3.4399e+05 2023-04-07 20:08:20,691 INFO [main.py:643]
{rank 0/100} MD step = 214700 step time: 00:00:00.018063 Performance: 125.372 ns/day 0.191 hours/ns 7.255 steps/s 2023-04-07 20:08:29,626 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 214700 42940 49.708 -36211 5448 -41659 -41659 2.0876 1.8572 0.68914 3.4415e+05 2023-04-07 20:08:31,473 INFO [main.py:643]
{rank 0/100} MD step = 214800 step time: 00:00:00.018224 Performance: 125.385 ns/day 0.191 hours/ns 7.256 steps/s 2023-04-07 20:08:36,132 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 214800 42960 49.939 -36310 5473.4 -41783 -41783 2.0901 1.8574 0.69005 3.4427e+05 2023-04-07 20:08:38,075 INFO [main.py:643]
{rank 0/100} MD step = 214900 step time: 00:00:00.018023 Performance: 125.415 ns/day 0.191 hours/ns 7.258 steps/s 2023-04-07 20:08:43,007 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 214900 42980 50.147 -36202 5496.2 -41698 -41698 2.0929 1.8593 0.68876 3.4445e+05 2023-04-07 20:08:44,920 INFO [main.py:643]
{rank 0/100} MD step = 215000 step time: 00:00:00.017977 Performance: 125.445 ns/day 0.191 hours/ns 7.260 steps/s 2023-04-07 20:08:57,659 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 215000 43000 49.967 -36275 5476.4 -41751 -41751 2.0936 1.8602 0.68922 3.446e+05 2023-04-07 20:08:59,508 INFO [main.py:643]
{rank 0/100} MD step = 215100 step time: 00:00:00.018025 Performance: 125.441 ns/day 0.191 hours/ns 7.259 steps/s 2023-04-07 20:09:25,489 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 215100 43020 50.012 -36221 5481.4 -41703 -41703 2.0945 1.8617 0.69125 3.4477e+05 2023-04-07 20:09:27,471 INFO [main.py:643]
{rank 0/100} MD step = 215200 step time: 00:00:00.017980 Performance: 125.381 ns/day 0.191 hours/ns 7.256 steps/s 2023-04-07 20:09:40,851 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 215200 43040 50.218 -36142 5504 -41646 -41646 2.0957 1.8634 0.69311 3.4493e+05 2023-04-07 20:09:42,677 INFO [main.py:643]
{rank 0/100} MD step = 215300 step time: 00:00:00.017954 Performance: 125.375 ns/day 0.191 hours/ns 7.256 steps/s 2023-04-07 20:09:47,133 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 215300 43060 50.578 -36059 5543.4 -41602 -41602 2.0953 1.8652 0.6934 3.4511e+05 2023-04-07 20:09:48,980 INFO [main.py:643]
{rank 0/100} MD step = 215400 step time: 00:00:00.017992 Performance: 125.407 ns/day 0.191 hours/ns 7.257 steps/s 2023-04-07 20:10:06,997 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 215400 43080 49.415 -36331 5415.9 -41747 -41747 2.0949 1.8655 0.69301 3.4526e+05 2023-04-07 20:10:08,840 INFO [main.py:643]
{rank 0/100} MD step = 215500 step time: 00:00:00.018016 Performance: 125.381 ns/day 0.191 hours/ns 7.256 steps/s 2023-04-07 20:10:21,597 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 215500 43100 49.601 -36258 5436.3 -41695 -41695 2.097 1.8644 0.69382 3.4543e+05 2023-04-07 20:10:23,665 INFO [main.py:643]
{rank 0/100} MD step = 215600 step time: 00:00:00.018106 Performance: 125.377 ns/day 0.191 hours/ns 7.256 steps/s 2023-04-07 20:10:36,197 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 215600 43120 50.33 -36245 5516.2 -41762 -41762 2.0947 1.8653 0.69503 3.4556e+05 2023-04-07 20:10:38,567 INFO [main.py:643]
{rank 0/100} MD step = 215700 step time: 00:00:00.018009 Performance: 125.372 ns/day 0.191 hours/ns 7.255 steps/s 2023-04-07 20:10:55,732 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 215700 43140 49.586 -36229 5434.7 -41663 -41663 2.096 1.8677 0.69731 3.4575e+05 2023-04-07 20:11:01,576 INFO [main.py:643]
{rank 0/100} MD step = 215800 step time: 00:00:00.017986 Performance: 125.333 ns/day 0.191 hours/ns 7.253 steps/s 2023-04-07 20:11:17,348 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 215800 43160 50.325 -36212 5515.7 -41728 -41728 2.0965 1.869 0.69669 3.4592e+05 2023-04-07 20:11:22,938 INFO [main.py:643]
{rank 0/100} MD step = 215900 step time: 00:00:00.018016 Performance: 125.301 ns/day 0.192 hours/ns 7.251 steps/s 2023-04-07 20:11:34,834 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 215900 43180 49.776 -36266 5455.5 -41722 -41722 2.1003 1.8706 0.69824 3.4607e+05 2023-04-07 20:11:36,675 INFO [main.py:643]
{rank 0/100} MD step = 216000 step time: 00:00:00.018192 Performance: 125.302 ns/day 0.192 hours/ns 7.251 steps/s 2023-04-07 20:11:53,649 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 216000 43200 50.641 -36246 5550.3 -41797 -41797 2.1029 1.869 0.69779 3.4621e+05 2023-04-07 20:11:55,521 INFO [main.py:643]
{rank 0/100} MD step = 216100 step time: 00:00:00.018042 Performance: 125.280 ns/day 0.192 hours/ns 7.250 steps/s 2023-04-07 20:12:00,587 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 216100 43220 49.748 -36250 5452.4 -41702 -41702 2.1058 1.8694 0.69793 3.4638e+05 2023-04-07 20:12:02,550 INFO [main.py:643]
{rank 0/100} MD step = 216200 step time: 00:00:00.018006 Performance: 125.309 ns/day 0.192 hours/ns 7.252 steps/s 2023-04-07 20:12:06,256 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 216200 43240 50.372 -36213 5520.8 -41734 -41734 2.1081 1.8686 0.69878 3.4657e+05 2023-04-07 20:12:08,080 INFO [main.py:643]
{rank 0/100} MD step = 216300 step time: 00:00:00.017966 Performance: 125.343 ns/day 0.191 hours/ns 7.254 steps/s 2023-04-07 20:12:19,484 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 216300 43260 49.603 -36206 5436.6 -41643 -41643 2.109 1.8691 0.69991 3.4676e+05 2023-04-07 20:12:21,284 INFO [main.py:643]
{rank 0/100} MD step = 216400 step time: 00:00:00.018087 Performance: 125.346 ns/day 0.191 hours/ns 7.254 steps/s 2023-04-07 20:12:30,283 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 216400 43280 50.539 -36000 5539.2 -41540 -41540 2.1103 1.8701 0.70076 3.4693e+05 2023-04-07 20:12:40,438 INFO [main.py:643]
{rank 0/100} MD step = 216500 step time: 00:00:00.018123 Performance: 125.323 ns/day 0.192 hours/ns 7.253 steps/s 2023-04-07 20:12:56,481 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 216500 43300 49.426 -36317 5417.1 -41734 -41734 2.1121 1.8708 0.70107 3.4705e+05 2023-04-07 20:12:58,414 INFO [main.py:643]
{rank 0/100} MD step = 216600 step time: 00:00:00.018024 Performance: 125.306 ns/day 0.192 hours/ns 7.251 steps/s 2023-04-07 20:13:15,034 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 216600 43320 50.172 -36143 5498.9 -41642 -41642 2.1136 1.8704 0.70129 3.4724e+05 2023-04-07 20:13:17,040 INFO [main.py:643]
{rank 0/100} MD step = 216700 step time: 00:00:00.018033 Performance: 125.286 ns/day 0.192 hours/ns 7.250 steps/s 2023-04-07 20:13:42,958 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 216700 43340 50.086 -36235 5489.5 -41725 -41725 2.1149 1.8693 0.70253 3.4738e+05 2023-04-07 20:13:49,533 INFO [main.py:643]
{rank 0/100} MD step = 216800 step time: 00:00:00.017970 Performance: 125.207 ns/day 0.192 hours/ns 7.246 steps/s 2023-04-07 20:13:54,737 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 216800 43360 50.551 -36049 5540.5 -41590 -41590 2.1178 1.8702 0.70396 3.4754e+05 2023-04-07 20:13:56,550 INFO [main.py:643]
{rank 0/100} MD step = 216900 step time: 00:00:00.017918 Performance: 125.236 ns/day 0.192 hours/ns 7.247 steps/s 2023-04-07 20:14:14,082 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 216900 43380 49.851 -36123 5463.7 -41586 -41586 2.1194 1.8729 0.70487 3.477e+05 2023-04-07 20:14:15,963 INFO [main.py:643]
{rank 0/100} MD step = 217000 step time: 00:00:00.018028 Performance: 125.212 ns/day 0.192 hours/ns 7.246 steps/s 2023-04-07 20:14:20,132 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 217000 43400 49.775 -36119 5455.4 -41574 -41574 2.1191 1.8743 0.70423 3.4783e+05 2023-04-07 20:14:22,078 INFO [main.py:643]
{rank 0/100} MD step = 217100 step time: 00:00:00.017987 Performance: 125.244 ns/day 0.192 hours/ns 7.248 steps/s 2023-04-07 20:14:30,792 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 217100 43420 49.578 -36212 5433.8 -41646 -41646 2.121 1.8743 0.70402 3.4799e+05 2023-04-07 20:14:32,649 INFO [main.py:643]
{rank 0/100} MD step = 217200 step time: 00:00:00.019045 Performance: 125.258 ns/day 0.192 hours/ns 7.249 steps/s 2023-04-07 20:14:37,330 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 217200 43440 50.586 -36155 5544.3 -41700 -41700 2.1233 1.8762 0.70419 3.4815e+05 2023-04-07 20:14:39,319 INFO [main.py:643]
{rank 0/100} MD step = 217300 step time: 00:00:00.018122 Performance: 125.288 ns/day 0.192 hours/ns 7.250 steps/s 2023-04-07 20:14:52,063 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 217300 43460 49.866 -36168 5465.3 -41633 -41633 2.1254 1.8778 0.70452 3.4832e+05 2023-04-07 20:14:54,033 INFO [main.py:643]
{rank 0/100} MD step = 217400 step time: 00:00:00.017863 Performance: 125.284 ns/day 0.192 hours/ns 7.250 steps/s 2023-04-07 20:14:55,107 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 217400 43480 49.398 -36323 5414 -41737 -41737 2.1266 1.8788 0.70493 3.4845e+05 2023-04-07 20:14:57,053 INFO [main.py:643]
{rank 0/100} MD step = 217500 step time: 00:00:00.017936 Performance: 125.329 ns/day 0.191 hours/ns 7.253 steps/s 2023-04-07 20:15:00,650 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 217500 43500 50.264 -36149 5509 -41658 -41658 2.1273 1.878 0.70613 3.4865e+05 2023-04-07 20:15:02,488 INFO [main.py:643]
{rank 0/100} MD step = 217600 step time: 00:00:00.017982 Performance: 125.364 ns/day 0.191 hours/ns 7.255 steps/s 2023-04-07 20:15:28,380 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 217600 43520 49.585 -36281 5434.5 -41715 -41715 2.1262 1.8778 0.70501 3.4878e+05 2023-04-07 20:15:30,301 INFO [main.py:643]
{rank 0/100} MD step = 217700 step time: 00:00:00.018381 Performance: 125.305 ns/day 0.192 hours/ns 7.251 steps/s 2023-04-07 20:15:35,119 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 217700 43540 50.566 -36179 5542.1 -41722 -41722 2.1306 1.8791 0.70647 3.4894e+05 2023-04-07 20:15:36,935 INFO [main.py:643]
{rank 0/100} MD step = 217800 step time: 00:00:00.018016 Performance: 125.335 ns/day 0.191 hours/ns 7.253 steps/s 2023-04-07 20:15:41,107 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 217800 43560 49.409 -36258 5415.3 -41674 -41674 2.1328 1.8797 0.70815 3.491e+05 2023-04-07 20:15:47,491 INFO [main.py:643]
{rank 0/100} MD step = 217900 step time: 00:00:00.017902 Performance: 125.348 ns/day 0.191 hours/ns 7.254 steps/s 2023-04-07 20:15:52,340 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 217900 43580 50.155 -36037 5497.1 -41534 -41534 2.1347 1.8798 0.70876 3.4929e+05 2023-04-07 20:15:57,903 INFO [main.py:643]
{rank 0/100} MD step = 218000 step time: 00:00:00.020886 Performance: 125.362 ns/day 0.191 hours/ns 7.255 steps/s 2023-04-07 20:16:14,185 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 218000 43600 50.139 -36161 5495.3 -41656 -41656 2.1381 1.8825 0.70884 3.4945e+05 2023-04-07 20:16:16,095 INFO [main.py:643]
{rank 0/100} MD step = 218100 step time: 00:00:00.018023 Performance: 125.344 ns/day 0.191 hours/ns 7.254 steps/s 2023-04-07 20:16:28,712 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 218100 43620 50.23 -36203 5505.2 -41708 -41708 2.1404 1.8832 0.70794 3.4959e+05 2023-04-07 20:16:30,626 INFO [main.py:643]
{rank 0/100} MD step = 218200 step time: 00:00:00.018020 Performance: 125.341 ns/day 0.191 hours/ns 7.254 steps/s 2023-04-07 20:16:39,361 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 218200 43640 50.116 -36219 5492.8 -41712 -41712 2.1432 1.8849 0.70947 3.4976e+05 2023-04-07 20:16:41,233 INFO [main.py:643]
{rank 0/100} MD step = 218300 step time: 00:00:00.018321 Performance: 125.354 ns/day 0.191 hours/ns 7.254 steps/s 2023-04-07 20:16:58,834 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 218300 43660 50.068 -36218 5487.5 -41706 -41706 2.1459 1.8852 0.70987 3.4992e+05 2023-04-07 20:17:00,976 INFO [main.py:643]
{rank 0/100} MD step = 218400 step time: 00:00:00.018015 Performance: 125.329 ns/day 0.191 hours/ns 7.253 steps/s 2023-04-07 20:17:10,117 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 218400 43680 50.417 -36135 5525.8 -41661 -41661 2.1468 1.8869 0.71193 3.5009e+05 2023-04-07 20:17:11,952 INFO [main.py:643]
{rank 0/100} MD step = 218500 step time: 00:00:00.018032 Performance: 125.341 ns/day 0.191 hours/ns 7.254 steps/s 2023-04-07 20:17:13,568 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 218500 43700 48.941 -36371 5364 -41735 -41735 2.1492 1.8884 0.71288 3.5024e+05 2023-04-07 20:17:15,642 INFO [main.py:643]
{rank 0/100} MD step = 218600 step time: 00:00:00.018177 Performance: 125.383 ns/day 0.191 hours/ns 7.256 steps/s 2023-04-07 20:17:20,432 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 218600 43720 49.721 -36225 5449.5 -41674 -41674 2.1543 1.8896 0.71322 3.5045e+05 2023-04-07 20:17:22,319 INFO [main.py:643]
{rank 0/100} MD step = 218700 step time: 00:00:00.035379 Performance: 125.413 ns/day 0.191 hours/ns 7.258 steps/s 2023-04-07 20:17:30,798 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 218700 43740 49.598 -36225 5436 -41661 -41661 2.1583 1.8903 0.71414 3.506e+05 2023-04-07 20:17:32,625 INFO [main.py:643]
{rank 0/100} MD step = 218800 step time: 00:00:00.018107 Performance: 125.427 ns/day 0.191 hours/ns 7.259 steps/s 2023-04-07 20:17:37,637 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 218800 43760 49.892 -36209 5468.3 -41677 -41677 2.1605 1.8919 0.71636 3.5074e+05 2023-04-07 20:17:39,567 INFO [main.py:643]
{rank 0/100} MD step = 218900 step time: 00:00:00.018050 Performance: 125.456 ns/day 0.191 hours/ns 7.260 steps/s 2023-04-07 20:17:57,433 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 218900 43780 49.486 -36273 5423.7 -41696 -41696 2.1607 1.8932 0.71726 3.5092e+05 2023-04-07 20:17:59,289 INFO [main.py:643]
{rank 0/100} MD step = 219000 step time: 00:00:00.018031 Performance: 125.431 ns/day 0.191 hours/ns 7.259 steps/s 2023-04-07 20:18:03,619 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 219000 43800 49.66 -36263 5442.9 -41706 -41706 2.1621 1.8934 0.7186 3.5108e+05 2023-04-07 20:18:05,439 INFO [main.py:643]
{rank 0/100} MD step = 219100 step time: 00:00:00.018385 Performance: 125.463 ns/day 0.191 hours/ns 7.261 steps/s 2023-04-07 20:18:26,520 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 219100 43820 50.426 -36145 5526.7 -41672 -41672 2.1602 1.8949 0.72147 3.5124e+05 2023-04-07 20:18:28,487 INFO [main.py:643]
{rank 0/100} MD step = 219200 step time: 00:00:00.018053 Performance: 125.424 ns/day 0.191 hours/ns 7.258 steps/s 2023-04-07 20:18:46,120 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 219200 43840 49.526 -36229 5428.2 -41657 -41657 2.1609 1.8947 0.72051 3.5139e+05 2023-04-07 20:18:48,179 INFO [main.py:643]
{rank 0/100} MD step = 219300 step time: 00:00:00.019003 Performance: 125.399 ns/day 0.191 hours/ns 7.257 steps/s 2023-04-07 20:19:03,956 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 219300 43860 50.414 -36215 5525.4 -41740 -41740 2.1614 1.896 0.72236 3.5154e+05 2023-04-07 20:19:05,806 INFO [main.py:643]
{rank 0/100} MD step = 219400 step time: 00:00:00.017931 Performance: 125.383 ns/day 0.191 hours/ns 7.256 steps/s 2023-04-07 20:19:27,380 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 219400 43880 49.506 -36258 5426 -41684 -41684 2.1618 1.8974 0.72358 3.5172e+05 2023-04-07 20:19:29,352 INFO [main.py:643]
{rank 0/100} MD step = 219500 step time: 00:00:00.018180 Performance: 125.343 ns/day 0.191 hours/ns 7.254 steps/s 2023-04-07 20:19:51,366 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 219500 43900 50.274 -36136 5510.1 -41646 -41646 2.1646 1.8967 0.72467 3.5189e+05 2023-04-07 20:19:53,909 INFO [main.py:643]
{rank 0/100} MD step = 219600 step time: 00:00:00.018245 Performance: 125.298 ns/day 0.192 hours/ns 7.251 steps/s 2023-04-07 20:20:01,420 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 219600 43920 50.012 -36184 5481.4 -41665 -41665 2.1677 1.8973 0.72568 3.5206e+05 2023-04-07 20:20:03,293 INFO [main.py:643]
{rank 0/100} MD step = 219700 step time: 00:00:00.017934 Performance: 125.317 ns/day 0.192 hours/ns 7.252 steps/s 2023-04-07 20:20:10,184 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 219700 43940 49.138 -36310 5385.6 -41695 -41695 2.1704 1.8988 0.72726 3.5224e+05 2023-04-07 20:20:12,007 INFO [main.py:643]
{rank 0/100} MD step = 219800 step time: 00:00:00.017928 Performance: 125.338 ns/day 0.191 hours/ns 7.253 steps/s 2023-04-07 20:20:20,527 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 219800 43960 50.338 -36164 5517.1 -41682 -41682 2.1721 1.8979 0.72766 3.524e+05 2023-04-07 20:20:22,624 INFO [main.py:643]
{rank 0/100} MD step = 219900 step time: 00:00:00.017841 Performance: 125.351 ns/day 0.191 hours/ns 7.254 steps/s 2023-04-07 20:20:48,458 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 219900 43980 48.555 -36317 5321.7 -41639 -41639 2.1757 1.8976 0.72713 3.5257e+05 2023-04-07 20:20:50,359 INFO [main.py:643]
{rank 0/100} MD step = 220000 step time: 00:00:00.018021 Performance: 125.293 ns/day 0.192 hours/ns 7.251 steps/s 2023-04-07 20:21:08,231 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 220000 44000 49.838 -36291 5462.3 -41753 -41753 2.1775 1.8982 0.72787 3.527e+05 2023-04-07 20:21:13,601 INFO [main.py:643]
{rank 0/100} MD step = 220100 step time: 00:00:00.017975 Performance: 125.254 ns/day 0.192 hours/ns 7.249 steps/s 2023-04-07 20:21:32,129 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 220100 44020 48.949 -36415 5364.8 -41780 -41780 2.1793 1.898 0.72805 3.5286e+05 2023-04-07 20:21:37,165 INFO [main.py:643]
{rank 0/100} MD step = 220200 step time: 00:00:00.017934 Performance: 125.214 ns/day 0.192 hours/ns 7.246 steps/s 2023-04-07 20:21:44,802 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 220200 44040 49.918 -36179 5471.1 -41650 -41650 2.1802 1.8988 0.72874 3.5305e+05 2023-04-07 20:21:46,600 INFO [main.py:643]
{rank 0/100} MD step = 220300 step time: 00:00:00.018058 Performance: 125.232 ns/day 0.192 hours/ns 7.247 steps/s 2023-04-07 20:22:07,869 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 220300 44060 49.795 -36286 5457.6 -41743 -41743 2.1809 1.8994 0.7291 3.5322e+05 2023-04-07 20:22:09,697 INFO [main.py:643]
{rank 0/100} MD step = 220400 step time: 00:00:00.018109 Performance: 125.194 ns/day 0.192 hours/ns 7.245 steps/s 2023-04-07 20:22:31,827 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 220400 44080 49.887 -36370 5467.7 -41837 -41837 2.1837 1.8996 0.72817 3.5337e+05 2023-04-07 20:22:34,515 INFO [main.py:643]
{rank 0/100} MD step = 220500 step time: 00:00:00.017936 Performance: 125.148 ns/day 0.192 hours/ns 7.242 steps/s 2023-04-07 20:22:40,192 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 220500 44100 50.096 -36312 5490.6 -41802 -41802 2.1874 1.9016 0.72968 3.5354e+05 2023-04-07 20:22:42,425 INFO [main.py:643]
{rank 0/100} MD step = 220600 step time: 00:00:00.018037 Performance: 125.173 ns/day 0.192 hours/ns 7.244 steps/s 2023-04-07 20:22:55,230 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 220600 44120 50.176 -36093 5499.3 -41592 -41592 2.1886 1.9016 0.73031 3.5374e+05 2023-04-07 20:22:57,038 INFO [main.py:643]
{rank 0/100} MD step = 220700 step time: 00:00:00.018143 Performance: 125.169 ns/day 0.192 hours/ns 7.244 steps/s 2023-04-07 20:23:14,700 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 220700 44140 50.271 -36150 5509.7 -41660 -41660 2.1898 1.9015 0.72965 3.5388e+05 2023-04-07 20:23:17,460 INFO [main.py:643]
{rank 0/100} MD step = 220800 step time: 00:00:00.018129 Performance: 125.142 ns/day 0.192 hours/ns 7.242 steps/s 2023-04-07 20:23:28,443 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 220800 44160 49.45 -36254 5419.8 -41674 -41674 2.1902 1.9039 0.73058 3.5405e+05 2023-04-07 20:23:30,310 INFO [main.py:643]
{rank 0/100} MD step = 220900 step time: 00:00:00.017857 Performance: 125.146 ns/day 0.192 hours/ns 7.242 steps/s 2023-04-07 20:23:33,848 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 220900 44180 49.602 -36198 5436.4 -41635 -41635 2.1948 1.9037 0.73101 3.5424e+05 2023-04-07 20:23:35,717 INFO [main.py:643]
{rank 0/100} MD step = 221000 step time: 00:00:00.018058 Performance: 125.180 ns/day 0.192 hours/ns 7.244 steps/s 2023-04-07 20:23:57,334 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 221000 44200 50.72 -36243 5559 -41802 -41802 2.1968 1.9059 0.72976 3.5437e+05 2023-04-07 20:23:59,166 INFO [main.py:643]
{rank 0/100} MD step = 221100 step time: 00:00:00.017874 Performance: 125.141 ns/day 0.192 hours/ns 7.242 steps/s 2023-04-07 20:24:05,653 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 221100 44220 49.828 -36220 5461.2 -41681 -41681 2.1988 1.9058 0.72844 3.5458e+05 2023-04-07 20:24:07,600 INFO [main.py:643]
{rank 0/100} MD step = 221200 step time: 00:00:00.017940 Performance: 125.163 ns/day 0.192 hours/ns 7.243 steps/s 2023-04-07 20:24:23,252 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 221200 44240 49.638 -36293 5440.4 -41734 -41734 2.2004 1.9063 0.72754 3.5473e+05 2023-04-07 20:24:25,069 INFO [main.py:643]
{rank 0/100} MD step = 221300 step time: 00:00:00.017877 Performance: 125.148 ns/day 0.192 hours/ns 7.242 steps/s 2023-04-07 20:24:29,641 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 221300 44260 49.527 -36239 5428.3 -41667 -41667 2.2042 1.9072 0.72752 3.5494e+05 2023-04-07 20:24:31,504 INFO [main.py:643]
{rank 0/100} MD step = 221400 step time: 00:00:00.018015 Performance: 125.178 ns/day 0.192 hours/ns 7.244 steps/s 2023-04-07 20:24:44,646 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 221400 44280 49.461 -36375 5421 -41796 -41796 2.2066 1.9076 0.72939 3.5505e+05 2023-04-07 20:24:46,556 INFO [main.py:643]
{rank 0/100} MD step = 221500 step time: 00:00:00.017986 Performance: 125.173 ns/day 0.192 hours/ns 7.244 steps/s 2023-04-07 20:24:59,711 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 221500 44300 50.041 -36248 5484.6 -41733 -41733 2.2117 1.9093 0.7301 3.5522e+05 2023-04-07 20:25:01,607 INFO [main.py:643]
{rank 0/100} MD step = 221600 step time: 00:00:00.018046 Performance: 125.168 ns/day 0.192 hours/ns 7.244 steps/s 2023-04-07 20:25:06,194 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 221600 44320 50.043 -36198 5484.8 -41683 -41683 2.2135 1.9107 0.73116 3.5539e+05 2023-04-07 20:25:08,523 INFO [main.py:643]
{rank 0/100} MD step = 221700 step time: 00:00:00.017891 Performance: 125.196 ns/day 0.192 hours/ns 7.245 steps/s 2023-04-07 20:25:13,105 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 221700 44340 49.419 -36386 5416.3 -41803 -41803 2.2152 1.9097 0.73185 3.5555e+05 2023-04-07 20:25:15,607 INFO [main.py:643]
{rank 0/100} MD step = 221800 step time: 00:00:00.018140 Performance: 125.224 ns/day 0.192 hours/ns 7.247 steps/s 2023-04-07 20:25:19,668 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 221800 44360 49.797 -36254 5457.8 -41712 -41712 2.2155 1.9117 0.73097 3.5572e+05 2023-04-07 20:25:24,886 INFO [main.py:643]
{rank 0/100} MD step = 221900 step time: 00:00:00.018198 Performance: 125.242 ns/day 0.192 hours/ns 7.248 steps/s 2023-04-07 20:25:27,799 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 221900 44380 50.518 -36122 5536.9 -41659 -41659 2.2205 1.9138 0.73111 3.5588e+05 2023-04-07 20:25:30,374 INFO [main.py:643]
{rank 0/100} MD step = 222000 step time: 00:00:00.018235 Performance: 125.276 ns/day 0.192 hours/ns 7.250 steps/s 2023-04-07 20:25:51,243 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 222000 44400 50.153 -36246 5496.8 -41743 -41743 2.2221 1.9155 0.73139 3.5604e+05 2023-04-07 20:25:53,169 INFO [main.py:643]
{rank 0/100} MD step = 222100 step time: 00:00:00.018048 Performance: 125.239 ns/day 0.192 hours/ns 7.248 steps/s 2023-04-07 20:25:59,338 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 222100 44420 50.378 -36214 5521.5 -41736 -41736 2.2233 1.9152 0.73228 3.5621e+05 2023-04-07 20:26:03,906 INFO [main.py:643]
{rank 0/100} MD step = 222200 step time: 00:00:00.018030 Performance: 125.252 ns/day 0.192 hours/ns 7.248 steps/s 2023-04-07 20:26:25,519 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 222200 44440 50.106 -36171 5491.7 -41663 -41663 2.2245 1.9144 0.73318 3.5638e+05 2023-04-07 20:26:27,601 INFO [main.py:643]
{rank 0/100} MD step = 222300 step time: 00:00:00.017905 Performance: 125.211 ns/day 0.192 hours/ns 7.246 steps/s 2023-04-07 20:26:32,218 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 222300 44460 49.683 -36178 5445.3 -41624 -41624 2.2299 1.9142 0.7323 3.5656e+05 2023-04-07 20:26:34,157 INFO [main.py:643]
{rank 0/100} MD step = 222400 step time: 00:00:00.018121 Performance: 125.241 ns/day 0.192 hours/ns 7.248 steps/s 2023-04-07 20:26:39,340 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 222400 44480 50.24 -36169 5506.4 -41675 -41675 2.2305 1.9138 0.73379 3.5668e+05 2023-04-07 20:26:41,144 INFO [main.py:643]
{rank 0/100} MD step = 222500 step time: 00:00:00.018097 Performance: 125.269 ns/day 0.192 hours/ns 7.249 steps/s 2023-04-07 20:26:49,503 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 222500 44500 50.535 -36115 5538.7 -41654 -41654 2.2317 1.9144 0.73414 3.5685e+05 2023-04-07 20:26:51,393 INFO [main.py:643]
{rank 0/100} MD step = 222600 step time: 00:00:00.018025 Performance: 125.283 ns/day 0.192 hours/ns 7.250 steps/s 2023-04-07 20:27:04,086 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 222600 44520 50.216 -36344 5503.8 -41848 -41848 2.2304 1.9154 0.73361 3.5695e+05 2023-04-07 20:27:06,193 INFO [main.py:643]
{rank 0/100} MD step = 222700 step time: 00:00:00.017977 Performance: 125.279 ns/day 0.192 hours/ns 7.250 steps/s 2023-04-07 20:27:19,422 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 222700 44540 50.687 -36189 5555.4 -41745 -41745 2.2311 1.9174 0.73267 3.5711e+05 2023-04-07 20:27:21,380 INFO [main.py:643]
{rank 0/100} MD step = 222800 step time: 00:00:00.017988 Performance: 125.273 ns/day 0.192 hours/ns 7.250 steps/s 2023-04-07 20:27:38,426 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 222800 44560 50.168 -36197 5498.5 -41696 -41696 2.2328 1.9192 0.73372 3.5727e+05 2023-04-07 20:27:40,287 INFO [main.py:643]
{rank 0/100} MD step = 222900 step time: 00:00:00.018185 Performance: 125.253 ns/day 0.192 hours/ns 7.248 steps/s 2023-04-07 20:27:41,478 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 222900 44580 50.033 -36193 5483.7 -41677 -41677 2.2365 1.9198 0.73463 3.5741e+05 2023-04-07 20:27:43,328 INFO [main.py:643]
{rank 0/100} MD step = 223000 step time: 00:00:00.017951 Performance: 125.296 ns/day 0.192 hours/ns 7.251 steps/s 2023-04-07 20:27:51,485 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 223000 44600 50.076 -36117 5488.4 -41605 -41605 2.2394 1.9196 0.73543 3.5762e+05 2023-04-07 20:27:53,373 INFO [main.py:643]
{rank 0/100} MD step = 223100 step time: 00:00:00.018038 Performance: 125.312 ns/day 0.192 hours/ns 7.252 steps/s 2023-04-07 20:28:06,466 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 223100 44620 49.698 -36327 5447 -41774 -41774 2.2406 1.9207 0.73406 3.5777e+05 2023-04-07 20:28:16,633 INFO [main.py:643]
{rank 0/100} MD step = 223200 step time: 00:00:00.017957 Performance: 125.273 ns/day 0.192 hours/ns 7.250 steps/s 2023-04-07 20:28:34,454 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 223200 44640 49.426 -36226 5417.2 -41643 -41643 2.2426 1.921 0.73515 3.5797e+05 2023-04-07 20:28:36,284 INFO [main.py:643]
{rank 0/100} MD step = 223300 step time: 00:00:00.017957 Performance: 125.249 ns/day 0.192 hours/ns 7.248 steps/s 2023-04-07 20:28:53,828 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 223300 44660 49.917 -36198 5471 -41669 -41669 2.2434 1.92 0.73596 3.5809e+05 2023-04-07 20:28:55,741 INFO [main.py:643]
{rank 0/100} MD step = 223400 step time: 00:00:00.017916 Performance: 125.226 ns/day 0.192 hours/ns 7.247 steps/s 2023-04-07 20:28:57,021 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 223400 44680 49.539 -36311 5429.6 -41741 -41741 2.2461 1.9209 0.73751 3.5825e+05 2023-04-07 20:28:58,829 INFO [main.py:643]
{rank 0/100} MD step = 223500 step time: 00:00:00.018003 Performance: 125.270 ns/day 0.192 hours/ns 7.249 steps/s 2023-04-07 20:29:11,013 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 223500 44700 49.831 -36248 5461.5 -41709 -41709 2.2471 1.9219 0.73769 3.584e+05 2023-04-07 20:29:12,827 INFO [main.py:643]
{rank 0/100} MD step = 223600 step time: 00:00:00.018008 Performance: 125.269 ns/day 0.192 hours/ns 7.249 steps/s 2023-04-07 20:29:17,385 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 223600 44720 49.147 -36336 5386.6 -41722 -41722 2.2498 1.9222 0.73718 3.5857e+05 2023-04-07 20:29:19,256 INFO [main.py:643]
{rank 0/100} MD step = 223700 step time: 00:00:00.018083 Performance: 125.299 ns/day 0.192 hours/ns 7.251 steps/s 2023-04-07 20:29:32,640 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 223700 44740 49.651 -36259 5441.8 -41701 -41701 2.2512 1.9231 0.73989 3.5873e+05 2023-04-07 20:29:34,527 INFO [main.py:643]
{rank 0/100} MD step = 223800 step time: 00:00:00.018000 Performance: 125.293 ns/day 0.192 hours/ns 7.251 steps/s 2023-04-07 20:29:47,527 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 223800 44760 49.848 -36262 5463.4 -41725 -41725 2.2539 1.923 0.74155 3.5888e+05 2023-04-07 20:29:49,488 INFO [main.py:643]
{rank 0/100} MD step = 223900 step time: 00:00:00.018193 Performance: 125.288 ns/day 0.192 hours/ns 7.250 steps/s 2023-04-07 20:29:58,151 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 223900 44780 50.343 -36109 5517.7 -41626 -41626 2.2511 1.9226 0.74139 3.5907e+05 2023-04-07 20:29:59,986 INFO [main.py:643]
{rank 0/100} MD step = 224000 step time: 00:00:00.017930 Performance: 125.301 ns/day 0.192 hours/ns 7.251 steps/s 2023-04-07 20:30:05,023 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 224000 44800 50.472 -36126 5531.8 -41658 -41658 2.2515 1.9229 0.74172 3.5923e+05 2023-04-07 20:30:06,890 INFO [main.py:643]
{rank 0/100} MD step = 224100 step time: 00:00:00.018376 Performance: 125.329 ns/day 0.191 hours/ns 7.253 steps/s 2023-04-07 20:30:20,271 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 224100 44820 48.69 -36399 5336.4 -41735 -41735 2.253 1.9238 0.74082 3.5938e+05 2023-04-07 20:30:22,079 INFO [main.py:643]
{rank 0/100} MD step = 224200 step time: 00:00:00.017905 Performance: 125.324 ns/day 0.192 hours/ns 7.253 steps/s 2023-04-07 20:30:30,217 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 224200 44840 50.255 -36146 5508 -41654 -41654 2.2518 1.9244 0.74231 3.5955e+05 2023-04-07 20:30:32,056 INFO [main.py:643]
{rank 0/100} MD step = 224300 step time: 00:00:00.018370 Performance: 125.339 ns/day 0.191 hours/ns 7.253 steps/s 2023-04-07 20:30:39,183 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 224300 44860 49.495 -36354 5424.8 -41778 -41778 2.2529 1.9251 0.74314 3.597e+05 2023-04-07 20:30:41,106 INFO [main.py:643]
{rank 0/100} MD step = 224400 step time: 00:00:00.017961 Performance: 125.358 ns/day 0.191 hours/ns 7.255 steps/s 2023-04-07 20:30:42,567 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 224400 44880 50.612 -36018 5547.1 -41565 -41565 2.2539 1.9257 0.74241 3.5988e+05 2023-04-07 20:30:44,386 INFO [main.py:643]
{rank 0/100} MD step = 224500 step time: 00:00:00.018052 Performance: 125.401 ns/day 0.191 hours/ns 7.257 steps/s 2023-04-07 20:30:48,230 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 224500 44900 49.835 -36292 5461.9 -41754 -41754 2.2565 1.9258 0.7425 3.6002e+05 2023-04-07 20:30:50,108 INFO [main.py:643]
{rank 0/100} MD step = 224600 step time: 00:00:00.017925 Performance: 125.434 ns/day 0.191 hours/ns 7.259 steps/s 2023-04-07 20:30:51,212 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 224600 44920 49.632 -36154 5439.8 -41593 -41593 2.2574 1.9274 0.7436 3.6023e+05 2023-04-07 20:30:53,103 INFO [main.py:643]
{rank 0/100} MD step = 224700 step time: 00:00:00.017926 Performance: 125.477 ns/day 0.191 hours/ns 7.261 steps/s 2023-04-07 20:30:58,227 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 224700 44940 49.933 -36300 5472.8 -41772 -41772 2.258 1.9305 0.7442 3.6034e+05 2023-04-07 20:31:00,119 INFO [main.py:643]
{rank 0/100} MD step = 224800 step time: 00:00:00.017868 Performance: 125.505 ns/day 0.191 hours/ns 7.263 steps/s 2023-04-07 20:31:17,711 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 224800 44960 50.022 -36194 5482.5 -41677 -41677 2.2602 1.93 0.74522 3.6052e+05 2023-04-07 20:31:19,544 INFO [main.py:643]
{rank 0/100} MD step = 224900 step time: 00:00:00.018156 Performance: 125.482 ns/day 0.191 hours/ns 7.262 steps/s 2023-04-07 20:31:32,615 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 224900 44980 50.329 -36282 5516.2 -41798 -41798 2.2623 1.9297 0.74454 3.6064e+05 2023-04-07 20:31:34,615 INFO [main.py:643]
{rank 0/100} MD step = 225000 step time: 00:00:00.018048 Performance: 125.476 ns/day 0.191 hours/ns 7.261 steps/s 2023-04-07 20:32:04,757 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 225000 45000 49.691 -36177 5446.2 -41623 -41623 2.2643 1.9314 0.7454 3.6083e+05 2023-04-07 20:32:06,658 INFO [main.py:643]
{rank 0/100} MD step = 225100 step time: 00:00:00.017952 Performance: 125.402 ns/day 0.191 hours/ns 7.257 steps/s 2023-04-07 20:32:28,427 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 225100 45020 50.086 -36241 5489.5 -41730 -41730 2.2619 1.9328 0.74711 3.6098e+05 2023-04-07 20:32:30,277 INFO [main.py:643]
{rank 0/100} MD step = 225200 step time: 00:00:00.018079 Performance: 125.363 ns/day 0.191 hours/ns 7.255 steps/s 2023-04-07 20:32:39,438 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 225200 45040 49.293 -36299 5402.6 -41702 -41702 2.2634 1.9336 0.74618 3.6111e+05 2023-04-07 20:32:41,328 INFO [main.py:643]
{rank 0/100} MD step = 225300 step time: 00:00:00.017973 Performance: 125.374 ns/day 0.191 hours/ns 7.255 steps/s 2023-04-07 20:32:58,550 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 225300 45060 49.539 -36224 5429.5 -41653 -41653 2.2651 1.9359 0.74589 3.613e+05 2023-04-07 20:33:00,398 INFO [main.py:643]
{rank 0/100} MD step = 225400 step time: 00:00:00.017988 Performance: 125.352 ns/day 0.191 hours/ns 7.254 steps/s 2023-04-07 20:33:09,744 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 225400 45080 50.172 -36198 5498.9 -41697 -41697 2.267 1.9369 0.74644 3.6142e+05 2023-04-07 20:33:11,615 INFO [main.py:643]
{rank 0/100} MD step = 225500 step time: 00:00:00.017998 Performance: 125.363 ns/day 0.191 hours/ns 7.255 steps/s 2023-04-07 20:33:23,074 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 225500 45100 50.001 -36218 5480.2 -41699 -41699 2.2687 1.9362 0.7469 3.616e+05 2023-04-07 20:33:25,012 INFO [main.py:643]
{rank 0/100} MD step = 225600 step time: 00:00:00.018023 Performance: 125.364 ns/day 0.191 hours/ns 7.255 steps/s 2023-04-07 20:33:43,472 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 225600 45120 49.944 -36220 5473.9 -41694 -41694 2.2688 1.9388 0.74907 3.6178e+05 2023-04-07 20:33:45,634 INFO [main.py:643]
{rank 0/100} MD step = 225700 step time: 00:00:00.017951 Performance: 125.337 ns/day 0.191 hours/ns 7.253 steps/s 2023-04-07 20:33:46,676 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 225700 45140 50.61 -36221 5546.9 -41768 -41768 2.2706 1.9386 0.74846 3.6192e+05 2023-04-07 20:33:48,539 INFO [main.py:643]
{rank 0/100} MD step = 225800 step time: 00:00:00.017845 Performance: 125.381 ns/day 0.191 hours/ns 7.256 steps/s 2023-04-07 20:33:56,635 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 225800 45160 49.855 -36314 5464.1 -41778 -41778 2.2734 1.9399 0.74879 3.621e+05 2023-04-07 20:33:58,484 INFO [main.py:643]
{rank 0/100} MD step = 225900 step time: 00:00:00.019310 Performance: 125.396 ns/day 0.191 hours/ns 7.257 steps/s 2023-04-07 20:34:20,134 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 225900 45180 50.06 -36214 5486.7 -41700 -41700 2.2786 1.9412 0.74974 3.623e+05 2023-04-07 20:34:22,025 INFO [main.py:643]
{rank 0/100} MD step = 226000 step time: 00:00:00.018090 Performance: 125.357 ns/day 0.191 hours/ns 7.254 steps/s 2023-04-07 20:34:30,595 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 226000 45200 50.109 -36256 5492 -41748 -41748 2.2843 1.9428 0.75159 3.6244e+05 2023-04-07 20:34:32,528 INFO [main.py:643]
{rank 0/100} MD step = 226100 step time: 00:00:00.017907 Performance: 125.370 ns/day 0.191 hours/ns 7.255 steps/s 2023-04-07 20:34:33,662 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 226100 45220 50.495 -36243 5534.3 -41777 -41777 2.2871 1.9433 0.75179 3.6263e+05 2023-04-07 20:34:35,527 INFO [main.py:643]
{rank 0/100} MD step = 226200 step time: 00:00:00.017929 Performance: 125.413 ns/day 0.191 hours/ns 7.258 steps/s 2023-04-07 20:34:44,243 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 226200 45240 50.351 -36158 5518.5 -41676 -41676 2.2894 1.9432 0.75247 3.628e+05 2023-04-07 20:34:46,100 INFO [main.py:643]
{rank 0/100} MD step = 226300 step time: 00:00:00.018013 Performance: 125.426 ns/day 0.191 hours/ns 7.258 steps/s 2023-04-07 20:34:47,269 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 226300 45260 50.132 -36034 5494.6 -41529 -41529 2.2935 1.9426 0.75334 3.6298e+05 2023-04-07 20:34:49,169 INFO [main.py:643]
{rank 0/100} MD step = 226400 step time: 00:00:00.018008 Performance: 125.469 ns/day 0.191 hours/ns 7.261 steps/s 2023-04-07 20:34:53,072 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 226400 45280 49.335 -36227 5407.1 -41634 -41634 2.2979 1.9413 0.75559 3.6313e+05 2023-04-07 20:34:54,888 INFO [main.py:643]
{rank 0/100} MD step = 226500 step time: 00:00:00.017912 Performance: 125.502 ns/day 0.191 hours/ns 7.263 steps/s 2023-04-07 20:35:03,036 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 226500 45300 50.013 -36198 5481.5 -41680 -41680 2.3015 1.9426 0.75661 3.6331e+05 2023-04-07 20:35:05,024 INFO [main.py:643]
{rank 0/100} MD step = 226600 step time: 00:00:00.018012 Performance: 125.516 ns/day 0.191 hours/ns 7.264 steps/s 2023-04-07 20:35:06,180 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 226600 45320 50.112 -36166 5492.3 -41658 -41658 2.3048 1.946 0.758 3.6346e+05 2023-04-07 20:35:07,999 INFO [main.py:643]
{rank 0/100} MD step = 226700 step time: 00:00:00.017841 Performance: 125.560 ns/day 0.191 hours/ns 7.266 steps/s 2023-04-07 20:35:12,054 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 226700 45340 50.733 -36107 5560.4 -41667 -41667 2.3076 1.9461 0.75831 3.6359e+05 2023-04-07 20:35:13,892 INFO [main.py:643]
{rank 0/100} MD step = 226800 step time: 00:00:00.018011 Performance: 125.591 ns/day 0.191 hours/ns 7.268 steps/s 2023-04-07 20:35:18,451 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 226800 45360 49.485 -36206 5423.6 -41629 -41629 2.3097 1.9454 0.75948 3.6375e+05 2023-04-07 20:35:20,324 INFO [main.py:643]
{rank 0/100} MD step = 226900 step time: 00:00:00.017780 Performance: 125.621 ns/day 0.191 hours/ns 7.270 steps/s 2023-04-07 20:35:29,245 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 226900 45380 50.169 -36132 5498.6 -41630 -41630 2.3112 1.9463 0.76234 3.6393e+05 2023-04-07 20:35:31,210 INFO [main.py:643]
{rank 0/100} MD step = 227000 step time: 00:00:00.017960 Performance: 125.632 ns/day 0.191 hours/ns 7.270 steps/s 2023-04-07 20:35:35,236 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 227000 45400 50.194 -36211 5501.3 -41712 -41712 2.3121 1.9461 0.76328 3.6407e+05 2023-04-07 20:35:37,155 INFO [main.py:643]
{rank 0/100} MD step = 227100 step time: 00:00:00.017919 Performance: 125.664 ns/day 0.191 hours/ns 7.272 steps/s 2023-04-07 20:35:46,361 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 227100 45420 49.483 -36281 5423.4 -41704 -41704 2.3123 1.9447 0.76547 3.6423e+05 2023-04-07 20:35:48,212 INFO [main.py:643]
{rank 0/100} MD step = 227200 step time: 00:00:00.018058 Performance: 125.675 ns/day 0.191 hours/ns 7.273 steps/s 2023-04-07 20:35:53,410 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 227200 45440 49.715 -36316 5448.8 -41765 -41765 2.3154 1.9439 0.76641 3.6441e+05 2023-04-07 20:35:55,210 INFO [main.py:643]
{rank 0/100} MD step = 227300 step time: 00:00:00.017999 Performance: 125.702 ns/day 0.191 hours/ns 7.274 steps/s 2023-04-07 20:35:59,762 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 227300 45460 49.061 -36236 5377.1 -41613 -41613 2.3155 1.9453 0.76793 3.6458e+05 2023-04-07 20:36:01,621 INFO [main.py:643]
{rank 0/100} MD step = 227400 step time: 00:00:00.017995 Performance: 125.731 ns/day 0.191 hours/ns 7.276 steps/s 2023-04-07 20:36:06,166 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 227400 45480 50.024 -36174 5482.7 -41657 -41657 2.3176 1.9484 0.76833 3.6471e+05 2023-04-07 20:36:08,016 INFO [main.py:643]
{rank 0/100} MD step = 227500 step time: 00:00:00.017800 Performance: 125.761 ns/day 0.191 hours/ns 7.278 steps/s 2023-04-07 20:36:12,514 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 227500 45500 50.651 -36081 5551.5 -41633 -41633 2.32 1.949 0.76861 3.6489e+05 2023-04-07 20:36:14,814 INFO [main.py:643]
{rank 0/100} MD step = 227600 step time: 00:00:00.018110 Performance: 125.789 ns/day 0.191 hours/ns 7.279 steps/s 2023-04-07 20:36:18,190 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 227600 45520 49.79 -36205 5457.1 -41662 -41662 2.32 1.95 0.76911 3.6503e+05 2023-04-07 20:36:20,268 INFO [main.py:643]
{rank 0/100} MD step = 227700 step time: 00:00:00.017951 Performance: 125.822 ns/day 0.191 hours/ns 7.281 steps/s 2023-04-07 20:36:21,889 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 227700 45540 49.527 -36238 5428.2 -41666 -41666 2.3213 1.9505 0.7707 3.6522e+05 2023-04-07 20:36:23,698 INFO [main.py:643]
{rank 0/100} MD step = 227800 step time: 00:00:00.017939 Performance: 125.864 ns/day 0.191 hours/ns 7.284 steps/s 2023-04-07 20:36:35,397 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 227800 45560 50.13 -36033 5494.4 -41527 -41527 2.3248 1.9517 0.76997 3.6541e+05 2023-04-07 20:36:37,410 INFO [main.py:643]
{rank 0/100} MD step = 227900 step time: 00:00:00.018110 Performance: 125.864 ns/day 0.191 hours/ns 7.284 steps/s 2023-04-07 20:36:38,899 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 227900 45580 49.975 -36142 5477.3 -41619 -41619 2.3259 1.9516 0.77014 3.6556e+05 2023-04-07 20:36:40,755 INFO [main.py:643]
{rank 0/100} MD step = 228000 step time: 00:00:00.017970 Performance: 125.905 ns/day 0.191 hours/ns 7.286 steps/s 2023-04-07 20:36:52,343 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 228000 45600 50.188 -36240 5500.7 -41741 -41741 2.33 1.9521 0.77029 3.6568e+05 2023-04-07 20:36:54,264 INFO [main.py:643]
{rank 0/100} MD step = 228100 step time: 00:00:00.017965 Performance: 125.906 ns/day 0.191 hours/ns 7.286 steps/s 2023-04-07 20:37:05,775 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 228100 45620 50.336 -36141 5516.9 -41658 -41658 2.3299 1.9546 0.76904 3.6584e+05 2023-04-07 20:37:07,685 INFO [main.py:643]
{rank 0/100} MD step = 228200 step time: 00:00:00.017970 Performance: 125.908 ns/day 0.191 hours/ns 7.286 steps/s 2023-04-07 20:37:16,879 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 228200 45640 49.832 -36232 5461.6 -41693 -41693 2.3306 1.9541 0.7666 3.6602e+05 2023-04-07 20:37:18,799 INFO [main.py:643]
{rank 0/100} MD step = 228300 step time: 00:00:00.018052 Performance: 125.918 ns/day 0.191 hours/ns 7.287 steps/s 2023-04-07 20:37:27,173 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 228300 45660 50.676 -36081 5554.2 -41635 -41635 2.3348 1.956 0.76793 3.6621e+05 2023-04-07 20:37:29,145 INFO [main.py:643]
{rank 0/100} MD step = 228400 step time: 00:00:00.019094 Performance: 125.932 ns/day 0.191 hours/ns 7.288 steps/s 2023-04-07 20:37:38,281 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 228400 45680 49.294 -36366 5402.7 -41769 -41769 2.3349 1.9558 0.76567 3.6632e+05 2023-04-07 20:37:40,148 INFO [main.py:643]
{rank 0/100} MD step = 228500 step time: 00:00:00.017908 Performance: 125.943 ns/day 0.191 hours/ns 7.288 steps/s 2023-04-07 20:37:48,410 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 228500 45700 50.533 -36141 5538.4 -41680 -41680 2.3351 1.9558 0.76785 3.6651e+05 2023-04-07 20:37:50,335 INFO [main.py:643]
{rank 0/100} MD step = 228600 step time: 00:00:00.017965 Performance: 125.957 ns/day 0.191 hours/ns 7.289 steps/s 2023-04-07 20:38:03,496 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 228600 45720 49.593 -36287 5435.4 -41722 -41722 2.3358 1.9561 0.76964 3.6667e+05 2023-04-07 20:38:05,340 INFO [main.py:643]
{rank 0/100} MD step = 228700 step time: 00:00:00.018024 Performance: 125.952 ns/day 0.191 hours/ns 7.289 steps/s 2023-04-07 20:38:10,574 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 228700 45740 50.45 -36166 5529.4 -41695 -41695 2.337 1.9577 0.77062 3.6681e+05 2023-04-07 20:38:12,405 INFO [main.py:643]
{rank 0/100} MD step = 228800 step time: 00:00:00.017946 Performance: 125.978 ns/day 0.191 hours/ns 7.290 steps/s 2023-04-07 20:38:13,540 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 228800 45760 49.523 -36276 5427.8 -41703 -41703 2.3396 1.9573 0.76992 3.6699e+05 2023-04-07 20:38:15,409 INFO [main.py:643]
{rank 0/100} MD step = 228900 step time: 00:00:00.018302 Performance: 126.021 ns/day 0.190 hours/ns 7.293 steps/s 2023-04-07 20:38:18,899 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 228900 45780 49.435 -36382 5418.1 -41800 -41800 2.3405 1.9612 0.76873 3.6712e+05 2023-04-07 20:38:20,836 INFO [main.py:643]
{rank 0/100} MD step = 229000 step time: 00:00:00.018040 Performance: 126.055 ns/day 0.190 hours/ns 7.295 steps/s 2023-04-07 20:38:33,522 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 229000 45800 51.078 -36036 5598.2 -41635 -41635 2.3433 1.9624 0.76955 3.673e+05 2023-04-07 20:38:35,370 INFO [main.py:643]
{rank 0/100} MD step = 229100 step time: 00:00:00.018047 Performance: 126.051 ns/day 0.190 hours/ns 7.295 steps/s 2023-04-07 20:38:53,081 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 229100 45820 49.838 -36182 5462.3 -41645 -41645 2.3428 1.9635 0.76759 3.6746e+05 2023-04-07 20:38:55,008 INFO [main.py:643]
{rank 0/100} MD step = 229200 step time: 00:00:00.018009 Performance: 126.027 ns/day 0.190 hours/ns 7.293 steps/s 2023-04-07 20:39:07,832 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 229200 45840 50.264 -36235 5509 -41744 -41744 2.3458 1.9644 0.76949 3.6761e+05 2023-04-07 20:39:09,839 INFO [main.py:643]
{rank 0/100} MD step = 229300 step time: 00:00:00.018130 Performance: 126.023 ns/day 0.190 hours/ns 7.293 steps/s 2023-04-07 20:39:34,529 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 229300 45860 49.639 -36222 5440.5 -41662 -41662 2.3493 1.9663 0.77075 3.6777e+05 2023-04-07 20:39:36,358 INFO [main.py:643]
{rank 0/100} MD step = 229400 step time: 00:00:00.018003 Performance: 125.972 ns/day 0.191 hours/ns 7.290 steps/s 2023-04-07 20:39:42,911 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 229400 45880 49.304 -36291 5403.7 -41695 -41695 2.3526 1.966 0.77174 3.6792e+05 2023-04-07 20:39:44,735 INFO [main.py:643]
{rank 0/100} MD step = 229500 step time: 00:00:00.018105 Performance: 125.993 ns/day 0.190 hours/ns 7.291 steps/s 2023-04-07 20:39:54,089 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 229500 45900 49.425 -36306 5417.1 -41723 -41723 2.3576 1.9668 0.77262 3.6807e+05 2023-04-07 20:39:56,578 INFO [main.py:643]
{rank 0/100} MD step = 229600 step time: 00:00:00.017973 Performance: 126.001 ns/day 0.190 hours/ns 7.292 steps/s 2023-04-07 20:40:15,836 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 229600 45920 49.712 -36283 5448.4 -41731 -41731 2.3602 1.9671 0.7731 3.682e+05 2023-04-07 20:40:17,740 INFO [main.py:643]
{rank 0/100} MD step = 229700 step time: 00:00:00.017977 Performance: 125.971 ns/day 0.191 hours/ns 7.290 steps/s 2023-04-07 20:40:24,027 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 229700 45940 49.826 -36226 5461 -41687 -41687 2.3607 1.9673 0.77416 3.6837e+05 2023-04-07 20:40:25,958 INFO [main.py:643]
{rank 0/100} MD step = 229800 step time: 00:00:00.017996 Performance: 125.993 ns/day 0.190 hours/ns 7.291 steps/s 2023-04-07 20:40:34,242 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 229800 45960 49.971 -36232 5476.9 -41709 -41709 2.363 1.9677 0.77414 3.6853e+05 2023-04-07 20:40:39,656 INFO [main.py:643]
{rank 0/100} MD step = 229900 step time: 00:00:00.018014 Performance: 125.993 ns/day 0.190 hours/ns 7.291 steps/s 2023-04-07 20:40:44,788 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 229900 45980 50.18 -36155 5499.8 -41655 -41655 2.3631 1.9694 0.77613 3.6868e+05 2023-04-07 20:40:46,690 INFO [main.py:643]
{rank 0/100} MD step = 230000 step time: 00:00:00.017984 Performance: 126.019 ns/day 0.190 hours/ns 7.293 steps/s 2023-04-07 20:40:55,516 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 230000 46000 49.749 -36324 5452.6 -41777 -41777 2.3642 1.9699 0.77733 3.6882e+05 2023-04-07 20:41:01,027 INFO [main.py:643]
{rank 0/100} MD step = 230100 step time: 00:00:00.018014 Performance: 126.017 ns/day 0.190 hours/ns 7.293 steps/s 2023-04-07 20:41:10,465 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 230100 46020 51.033 -36014 5593.3 -41607 -41607 2.364 1.9705 0.77722 3.6902e+05 2023-04-07 20:41:12,389 INFO [main.py:643]
{rank 0/100} MD step = 230200 step time: 00:00:00.018187 Performance: 126.026 ns/day 0.190 hours/ns 7.293 steps/s 2023-04-07 20:41:29,674 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 230200 46040 49.59 -36362 5435.1 -41797 -41797 2.3657 1.9701 0.77856 3.6917e+05 2023-04-07 20:41:39,808 INFO [main.py:643]
{rank 0/100} MD step = 230300 step time: 00:00:00.018084 Performance: 125.972 ns/day 0.191 hours/ns 7.290 steps/s 2023-04-07 20:41:57,701 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 230300 46060 50.341 -36088 5517.4 -41606 -41606 2.3659 1.9705 0.77801 3.6935e+05 2023-04-07 20:41:59,592 INFO [main.py:643]
{rank 0/100} MD step = 230400 step time: 00:00:00.018157 Performance: 125.948 ns/day 0.191 hours/ns 7.289 steps/s 2023-04-07 20:42:12,483 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 230400 46080 49.399 -36342 5414.2 -41757 -41757 2.3698 1.9707 0.77804 3.695e+05 2023-04-07 20:42:14,358 INFO [main.py:643]
{rank 0/100} MD step = 230500 step time: 00:00:00.018074 Performance: 125.943 ns/day 0.191 hours/ns 7.288 steps/s 2023-04-07 20:42:19,487 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 230500 46100 49.973 -36141 5477.1 -41618 -41618 2.3715 1.9692 0.7778 3.6967e+05 2023-04-07 20:42:21,419 INFO [main.py:643]
{rank 0/100} MD step = 230600 step time: 00:00:00.018000 Performance: 125.970 ns/day 0.191 hours/ns 7.290 steps/s 2023-04-07 20:42:25,855 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 230600 46120 49.75 -36154 5452.7 -41606 -41606 2.3703 1.9683 0.77841 3.6984e+05 2023-04-07 20:42:27,742 INFO [main.py:643]
{rank 0/100} MD step = 230700 step time: 00:00:00.018168 Performance: 125.999 ns/day 0.190 hours/ns 7.292 steps/s 2023-04-07 20:42:28,911 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 230700 46140 49.892 -36325 5468.2 -41793 -41793 2.3691 1.9698 0.77848 3.6999e+05 2023-04-07 20:42:30,756 INFO [main.py:643]
{rank 0/100} MD step = 230800 step time: 00:00:00.017911 Performance: 126.042 ns/day 0.190 hours/ns 7.294 steps/s 2023-04-07 20:42:51,723 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 230800 46160 49.555 -36280 5431.2 -41711 -41711 2.3702 1.9718 0.78039 3.7017e+05 2023-04-07 20:42:53,620 INFO [main.py:643]
{rank 0/100} MD step = 230900 step time: 00:00:00.018058 Performance: 126.005 ns/day 0.190 hours/ns 7.292 steps/s 2023-04-07 20:43:06,418 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 230900 46180 50.078 -36232 5488.6 -41720 -41720 2.3702 1.9732 0.78104 3.703e+05 2023-04-07 20:43:08,274 INFO [main.py:643]
{rank 0/100} MD step = 231000 step time: 00:00:00.017910 Performance: 126.002 ns/day 0.190 hours/ns 7.292 steps/s 2023-04-07 20:43:17,072 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 231000 46200 49.632 -36180 5439.8 -41620 -41620 2.3737 1.9743 0.78325 3.7049e+05 2023-04-07 20:43:18,939 INFO [main.py:643]
{rank 0/100} MD step = 231100 step time: 00:00:00.017916 Performance: 126.014 ns/day 0.190 hours/ns 7.292 steps/s 2023-04-07 20:43:24,613 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 231100 46220 49.761 -36294 5453.8 -41748 -41748 2.3758 1.9755 0.78473 3.7062e+05 2023-04-07 20:43:26,485 INFO [main.py:643]
{rank 0/100} MD step = 231200 step time: 00:00:00.018071 Performance: 126.038 ns/day 0.190 hours/ns 7.294 steps/s 2023-04-07 20:43:47,027 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 231200 46240 50.893 -36139 5577.9 -41717 -41717 2.3762 1.9772 0.78358 3.708e+05 2023-04-07 20:43:48,866 INFO [main.py:643]
{rank 0/100} MD step = 231300 step time: 00:00:00.018037 Performance: 126.004 ns/day 0.190 hours/ns 7.292 steps/s 2023-04-07 20:44:02,002 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 231300 46260 50.045 -36264 5485 -41749 -41749 2.3769 1.979 0.78264 3.7096e+05 2023-04-07 20:44:03,900 INFO [main.py:643]
{rank 0/100} MD step = 231400 step time: 00:00:00.018070 Performance: 125.999 ns/day 0.190 hours/ns 7.292 steps/s 2023-04-07 20:44:16,996 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 231400 46280 49.847 -36218 5463.3 -41682 -41682 2.3786 1.9799 0.78387 3.7114e+05 2023-04-07 20:44:23,038 INFO [main.py:643]
{rank 0/100} MD step = 231500 step time: 00:00:00.018024 Performance: 125.977 ns/day 0.191 hours/ns 7.290 steps/s 2023-04-07 20:44:28,501 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 231500 46300 49.601 -36318 5436.3 -41754 -41754 2.3818 1.9806 0.78374 3.713e+05 2023-04-07 20:44:30,304 INFO [main.py:643]
{rank 0/100} MD step = 231600 step time: 00:00:00.017952 Performance: 126.003 ns/day 0.190 hours/ns 7.292 steps/s 2023-04-07 20:44:43,223 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 231600 46320 50.462 -36059 5530.7 -41589 -41589 2.3845 1.9801 0.78441 3.7146e+05 2023-04-07 20:44:45,114 INFO [main.py:643]
{rank 0/100} MD step = 231700 step time: 00:00:00.018349 Performance: 125.998 ns/day 0.190 hours/ns 7.292 steps/s 2023-04-07 20:44:53,577 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 231700 46340 49.717 -36197 5449.1 -41646 -41646 2.3858 1.9804 0.78412 3.7162e+05 2023-04-07 20:44:59,486 INFO [main.py:643]
{rank 0/100} MD step = 231800 step time: 00:00:00.018009 Performance: 125.996 ns/day 0.190 hours/ns 7.291 steps/s 2023-04-07 20:45:25,614 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 231800 46360 50.099 -36304 5490.9 -41795 -41795 2.3871 1.9805 0.78439 3.7175e+05 2023-04-07 20:45:27,416 INFO [main.py:643]
{rank 0/100} MD step = 231900 step time: 00:00:00.017899 Performance: 125.940 ns/day 0.191 hours/ns 7.288 steps/s 2023-04-07 20:45:32,372 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 231900 46380 50.423 -36129 5526.4 -41655 -41655 2.388 1.9809 0.78488 3.7195e+05 2023-04-07 20:45:34,212 INFO [main.py:643]
{rank 0/100} MD step = 232000 step time: 00:00:00.017961 Performance: 125.967 ns/day 0.191 hours/ns 7.290 steps/s 2023-04-07 20:46:01,266 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 232000 46400 49.878 -36251 5466.7 -41718 -41718 2.3916 1.9822 0.78363 3.7208e+05 2023-04-07 20:46:03,121 INFO [main.py:643]
{rank 0/100} MD step = 232100 step time: 00:00:00.018046 Performance: 125.907 ns/day 0.191 hours/ns 7.286 steps/s 2023-04-07 20:46:19,673 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 232100 46420 49.621 -36245 5438.6 -41683 -41683 2.3944 1.982 0.78449 3.7227e+05 2023-04-07 20:46:21,585 INFO [main.py:643]
{rank 0/100} MD step = 232200 step time: 00:00:00.018095 Performance: 125.888 ns/day 0.191 hours/ns 7.285 steps/s 2023-04-07 20:46:27,670 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 232200 46440 50.227 -36093 5504.9 -41598 -41598 2.3954 1.982 0.78463 3.7243e+05 2023-04-07 20:46:29,660 INFO [main.py:643]
{rank 0/100} MD step = 232300 step time: 00:00:00.017915 Performance: 125.910 ns/day 0.191 hours/ns 7.286 steps/s 2023-04-07 20:46:37,724 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 232300 46460 49.88 -36205 5466.9 -41672 -41672 2.3981 1.9816 0.78526 3.7256e+05 2023-04-07 20:46:39,524 INFO [main.py:643]
{rank 0/100} MD step = 232400 step time: 00:00:00.017880 Performance: 125.926 ns/day 0.191 hours/ns 7.287 steps/s 2023-04-07 20:46:52,911 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 232400 46480 50.454 -36139 5529.8 -41669 -41669 2.3986 1.9846 0.78359 3.7274e+05 2023-04-07 20:46:54,737 INFO [main.py:643]
{rank 0/100} MD step = 232500 step time: 00:00:00.017904 Performance: 125.920 ns/day 0.191 hours/ns 7.287 steps/s 2023-04-07 20:47:00,779 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 232500 46500 50.098 -36168 5490.8 -41659 -41659 2.4025 1.9862 0.78461 3.729e+05 2023-04-07 20:47:02,631 INFO [main.py:643]
{rank 0/100} MD step = 232600 step time: 00:00:00.017895 Performance: 125.943 ns/day 0.191 hours/ns 7.288 steps/s 2023-04-07 20:47:15,370 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 232600 46520 50.587 -36150 5544.4 -41694 -41694 2.4055 1.9877 0.78463 3.7306e+05 2023-04-07 20:47:17,845 INFO [main.py:643]
{rank 0/100} MD step = 232700 step time: 00:00:00.024029 Performance: 125.937 ns/day 0.191 hours/ns 7.288 steps/s 2023-04-07 20:47:34,708 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 232700 46540 50.112 -36245 5492.4 -41737 -41737 2.404 1.9892 0.78665 3.7322e+05 2023-04-07 20:47:36,634 INFO [main.py:643]
{rank 0/100} MD step = 232800 step time: 00:00:00.017946 Performance: 125.917 ns/day 0.191 hours/ns 7.287 steps/s 2023-04-07 20:47:58,294 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 232800 46560 50.509 -36191 5535.8 -41726 -41726 2.4041 1.9902 0.78755 3.7335e+05 2023-04-07 20:48:04,321 INFO [main.py:643]
{rank 0/100} MD step = 232900 step time: 00:00:00.017985 Performance: 125.862 ns/day 0.191 hours/ns 7.284 steps/s 2023-04-07 20:48:30,775 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 232900 46580 50.145 -36275 5496 -41771 -41771 2.4051 1.9914 0.78622 3.7353e+05 2023-04-07 20:48:32,590 INFO [main.py:643]
{rank 0/100} MD step = 233000 step time: 00:00:00.017940 Performance: 125.805 ns/day 0.191 hours/ns 7.280 steps/s 2023-04-07 20:48:47,001 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 233000 46600 49.324 -36192 5406 -41598 -41598 2.4074 1.9916 0.78556 3.7372e+05 2023-04-07 20:48:48,848 INFO [main.py:643]
{rank 0/100} MD step = 233100 step time: 00:00:00.018050 Performance: 125.795 ns/day 0.191 hours/ns 7.280 steps/s 2023-04-07 20:49:09,151 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 233100 46620 50.589 -36139 5544.6 -41684 -41684 2.4088 1.9924 0.78625 3.7387e+05 2023-04-07 20:49:15,219 INFO [main.py:643]
{rank 0/100} MD step = 233200 step time: 00:00:00.017975 Performance: 125.745 ns/day 0.191 hours/ns 7.277 steps/s 2023-04-07 20:49:32,978 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 233200 46640 49.862 -36200 5464.9 -41665 -41665 2.4098 1.9937 0.78655 3.7402e+05 2023-04-07 20:49:34,935 INFO [main.py:643]
{rank 0/100} MD step = 233300 step time: 00:00:00.017893 Performance: 125.722 ns/day 0.191 hours/ns 7.276 steps/s 2023-04-07 20:49:49,872 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 233300 46660 50.237 -36194 5506.1 -41700 -41700 2.411 1.9948 0.78821 3.7418e+05 2023-04-07 20:49:51,738 INFO [main.py:643]
{rank 0/100} MD step = 233400 step time: 00:00:00.018006 Performance: 125.710 ns/day 0.191 hours/ns 7.275 steps/s 2023-04-07 20:50:17,749 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 233400 46680 49.958 -36273 5475.4 -41749 -41749 2.4123 1.9945 0.78736 3.7435e+05 2023-04-07 20:50:19,694 INFO [main.py:643]
{rank 0/100} MD step = 233500 step time: 00:00:00.018018 Performance: 125.654 ns/day 0.191 hours/ns 7.272 steps/s 2023-04-07 20:50:35,117 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 233500 46700 50.546 -36101 5539.9 -41641 -41641 2.4119 1.9955 0.7877 3.7451e+05 2023-04-07 20:50:37,037 INFO [main.py:643]
{rank 0/100} MD step = 233600 step time: 00:00:00.018145 Performance: 125.640 ns/day 0.191 hours/ns 7.271 steps/s 2023-04-07 20:50:55,092 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 233600 46720 49.12 -36378 5383.6 -41761 -41761 2.4152 1.9971 0.78924 3.7464e+05 2023-04-07 20:50:57,032 INFO [main.py:643]
{rank 0/100} MD step = 233700 step time: 00:00:00.018037 Performance: 125.616 ns/day 0.191 hours/ns 7.269 steps/s 2023-04-07 20:51:26,708 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 233700 46740 50.073 -36300 5488.1 -41788 -41788 2.4184 1.9974 0.78993 3.7482e+05 2023-04-07 20:51:28,687 INFO [main.py:643]
{rank 0/100} MD step = 233800 step time: 00:00:00.017955 Performance: 125.546 ns/day 0.191 hours/ns 7.265 steps/s 2023-04-07 20:51:46,288 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 233800 46760 49.313 -36291 5404.7 -41696 -41696 2.4185 1.9981 0.78926 3.7498e+05 2023-04-07 20:51:52,169 INFO [main.py:643]
{rank 0/100} MD step = 233900 step time: 00:00:00.017956 Performance: 125.508 ns/day 0.191 hours/ns 7.263 steps/s 2023-04-07 20:51:53,336 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 233900 46780 49.224 -36385 5395 -41780 -41780 2.4207 1.9982 0.78948 3.7513e+05 2023-04-07 20:51:55,204 INFO [main.py:643]
{rank 0/100} MD step = 234000 step time: 00:00:00.017915 Performance: 125.550 ns/day 0.191 hours/ns 7.266 steps/s 2023-04-07 20:52:03,379 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 234000 46800 50.289 -36163 5511.8 -41675 -41675 2.4186 2.0015 0.78913 3.7533e+05 2023-04-07 20:52:05,253 INFO [main.py:643]
{rank 0/100} MD step = 234100 step time: 00:00:00.017979 Performance: 125.564 ns/day 0.191 hours/ns 7.266 steps/s 2023-04-07 20:52:14,187 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 234100 46820 50.448 -36124 5529.1 -41653 -41653 2.4193 2.0024 0.78789 3.7549e+05 2023-04-07 20:52:19,784 INFO [main.py:643]
{rank 0/100} MD step = 234200 step time: 00:00:00.017800 Performance: 125.561 ns/day 0.191 hours/ns 7.266 steps/s 2023-04-07 20:52:28,836 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 234200 46840 49.918 -36198 5471.1 -41669 -41669 2.4201 2.0029 0.7882 3.7564e+05 2023-04-07 20:52:30,785 INFO [main.py:643]
{rank 0/100} MD step = 234300 step time: 00:00:00.017979 Performance: 125.572 ns/day 0.191 hours/ns 7.267 steps/s 2023-04-07 20:52:39,683 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 234300 46860 49.549 -36214 5430.6 -41644 -41644 2.4201 2.0043 0.78827 3.758e+05 2023-04-07 20:52:41,571 INFO [main.py:643]
{rank 0/100} MD step = 234400 step time: 00:00:00.017904 Performance: 125.584 ns/day 0.191 hours/ns 7.268 steps/s 2023-04-07 20:52:58,703 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 234400 46880 50.025 -36237 5482.8 -41720 -41720 2.4221 2.0036 0.78825 3.7598e+05 2023-04-07 20:53:00,570 INFO [main.py:643]
{rank 0/100} MD step = 234500 step time: 00:00:00.017994 Performance: 125.563 ns/day 0.191 hours/ns 7.266 steps/s 2023-04-07 20:53:01,882 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 234500 46900 50.054 -36223 5486 -41709 -41709 2.4251 2.0041 0.78715 3.7614e+05 2023-04-07 20:53:03,818 INFO [main.py:643]
{rank 0/100} MD step = 234600 step time: 00:00:00.017797 Performance: 125.604 ns/day 0.191 hours/ns 7.269 steps/s 2023-04-07 20:53:16,398 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 234600 46920 49.984 -36218 5478.3 -41696 -41696 2.4277 2.0042 0.78629 3.763e+05 2023-04-07 20:53:18,281 INFO [main.py:643]
{rank 0/100} MD step = 234700 step time: 00:00:00.018056 Performance: 125.601 ns/day 0.191 hours/ns 7.269 steps/s 2023-04-07 20:53:26,864 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 234700 46940 50.421 -36158 5526.3 -41684 -41684 2.4316 2.0057 0.78449 3.7648e+05 2023-04-07 20:53:28,724 INFO [main.py:643]
{rank 0/100} MD step = 234800 step time: 00:00:00.017976 Performance: 125.614 ns/day 0.191 hours/ns 7.269 steps/s 2023-04-07 20:53:41,853 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 234800 46960 49.983 -36136 5478.2 -41614 -41614 2.4364 2.0057 0.78455 3.7664e+05 2023-04-07 20:53:47,797 INFO [main.py:643]
{rank 0/100} MD step = 234900 step time: 00:00:00.017944 Performance: 125.594 ns/day 0.191 hours/ns 7.268 steps/s 2023-04-07 20:53:55,880 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 234900 46980 50.029 -36224 5483.2 -41708 -41708 2.4379 2.0071 0.78605 3.7681e+05 2023-04-07 20:53:57,734 INFO [main.py:643]
{rank 0/100} MD step = 235000 step time: 00:00:00.018192 Performance: 125.608 ns/day 0.191 hours/ns 7.269 steps/s 2023-04-07 20:54:04,065 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 235000 47000 49.834 -36202 5461.8 -41664 -41664 2.4413 2.0077 0.78607 3.7695e+05 2023-04-07 20:54:06,027 INFO [main.py:643]
{rank 0/100} MD step = 235100 step time: 00:00:00.018159 Performance: 125.630 ns/day 0.191 hours/ns 7.270 steps/s 2023-04-07 20:54:18,357 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 235100 47020 49.671 -36212 5444 -41656 -41656 2.443 2.0088 0.78748 3.7712e+05 2023-04-07 20:54:20,241 INFO [main.py:643]
{rank 0/100} MD step = 235200 step time: 00:00:00.017881 Performance: 125.628 ns/day 0.191 hours/ns 7.270 steps/s 2023-04-07 20:54:33,432 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 235200 47040 50.016 -36184 5481.8 -41666 -41666 2.444 2.0102 0.78866 3.7729e+05 2023-04-07 20:54:35,382 INFO [main.py:643]
{rank 0/100} MD step = 235300 step time: 00:00:00.018007 Performance: 125.623 ns/day 0.191 hours/ns 7.270 steps/s 2023-04-07 20:54:52,774 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 235300 47060 49.956 -36240 5475.2 -41715 -41715 2.4468 2.0104 0.78835 3.7748e+05 2023-04-07 20:54:54,665 INFO [main.py:643]
{rank 0/100} MD step = 235400 step time: 00:00:00.017976 Performance: 125.601 ns/day 0.191 hours/ns 7.269 steps/s 2023-04-07 20:54:55,821 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 235400 47080 50.209 -36147 5503 -41650 -41650 2.4484 2.0108 0.79003 3.7762e+05 2023-04-07 20:54:57,640 INFO [main.py:643]
{rank 0/100} MD step = 235500 step time: 00:00:00.018015 Performance: 125.643 ns/day 0.191 hours/ns 7.271 steps/s 2023-04-07 20:55:09,979 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 235500 47100 49.812 -36358 5459.4 -41818 -41818 2.4527 2.0117 0.79014 3.7777e+05 2023-04-07 20:55:12,026 INFO [main.py:643]
{rank 0/100} MD step = 235600 step time: 00:00:00.019027 Performance: 125.640 ns/day 0.191 hours/ns 7.271 steps/s 2023-04-07 20:55:16,875 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 235600 47120 49.817 -36174 5460 -41634 -41634 2.4524 2.0109 0.78962 3.7796e+05 2023-04-07 20:55:18,885 INFO [main.py:643]
{rank 0/100} MD step = 235700 step time: 00:00:00.019814 Performance: 125.667 ns/day 0.191 hours/ns 7.272 steps/s 2023-04-07 20:55:27,799 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 235700 47140 49.773 -36262 5455.2 -41717 -41717 2.4543 2.0112 0.78804 3.7812e+05 2023-04-07 20:55:29,732 INFO [main.py:643]
{rank 0/100} MD step = 235800 step time: 00:00:00.017993 Performance: 125.678 ns/day 0.191 hours/ns 7.273 steps/s 2023-04-07 20:55:30,832 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 235800 47160 49.395 -36275 5413.8 -41689 -41689 2.4563 2.0111 0.78722 3.7828e+05 2023-04-07 20:55:32,767 INFO [main.py:643]
{rank 0/100} MD step = 235900 step time: 00:00:00.018165 Performance: 125.720 ns/day 0.191 hours/ns 7.275 steps/s 2023-04-07 20:55:48,909 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 235900 47180 50.021 -36187 5482.4 -41669 -41669 2.4555 2.0132 0.78839 3.7845e+05 2023-04-07 20:55:50,774 INFO [main.py:643]
{rank 0/100} MD step = 236000 step time: 00:00:00.018007 Performance: 125.703 ns/day 0.191 hours/ns 7.275 steps/s 2023-04-07 20:56:03,760 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 236000 47200 50.434 -36164 5527.7 -41692 -41692 2.4583 2.0141 0.78844 3.7861e+05 2023-04-07 20:56:05,779 INFO [main.py:643]
{rank 0/100} MD step = 236100 step time: 00:00:00.017954 Performance: 125.699 ns/day 0.191 hours/ns 7.274 steps/s 2023-04-07 20:56:23,298 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 236100 47220 49.926 -36208 5472 -41680 -41680 2.4592 2.014 0.79151 3.7878e+05 2023-04-07 20:56:25,301 INFO [main.py:643]
{rank 0/100} MD step = 236200 step time: 00:00:00.017917 Performance: 125.676 ns/day 0.191 hours/ns 7.273 steps/s 2023-04-07 20:56:34,112 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 236200 47240 50.12 -36149 5493.2 -41643 -41643 2.4585 2.0147 0.79074 3.7897e+05 2023-04-07 20:56:36,086 INFO [main.py:643]
{rank 0/100} MD step = 236300 step time: 00:00:00.017805 Performance: 125.688 ns/day 0.191 hours/ns 7.274 steps/s 2023-04-07 20:56:57,242 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 236300 47260 49.733 -36280 5450.8 -41731 -41731 2.4574 2.0156 0.79324 3.7912e+05 2023-04-07 20:56:59,102 INFO [main.py:643]
{rank 0/100} MD step = 236400 step time: 00:00:00.017939 Performance: 125.652 ns/day 0.191 hours/ns 7.272 steps/s 2023-04-07 20:57:17,089 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 236400 47280 49.856 -36223 5464.3 -41687 -41687 2.4578 2.0171 0.79513 3.793e+05 2023-04-07 20:57:19,013 INFO [main.py:643]
{rank 0/100} MD step = 236500 step time: 00:00:00.018136 Performance: 125.628 ns/day 0.191 hours/ns 7.270 steps/s 2023-04-07 20:57:20,403 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 236500 47300 49.292 -36314 5402.5 -41717 -41717 2.4601 2.0178 0.79526 3.7943e+05 2023-04-07 20:57:22,205 INFO [main.py:643]
{rank 0/100} MD step = 236600 step time: 00:00:00.027462 Performance: 125.669 ns/day 0.191 hours/ns 7.273 steps/s 2023-04-07 20:57:27,543 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 236600 47320 49.873 -36219 5466.2 -41685 -41685 2.4623 2.0183 0.79625 3.7961e+05 2023-04-07 20:57:29,555 INFO [main.py:643]
{rank 0/100} MD step = 236700 step time: 00:00:00.018008 Performance: 125.694 ns/day 0.191 hours/ns 7.274 steps/s 2023-04-07 20:57:30,689 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 236700 47340 50.557 -36163 5541.1 -41704 -41704 2.4641 2.0188 0.79898 3.7977e+05 2023-04-07 20:57:32,598 INFO [main.py:643]
{rank 0/100} MD step = 236800 step time: 00:00:00.018773 Performance: 125.735 ns/day 0.191 hours/ns 7.276 steps/s 2023-04-07 20:57:53,057 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 236800 47360 49.454 -36223 5420.3 -41643 -41643 2.466 2.02 0.79791 3.7992e+05 2023-04-07 20:57:54,949 INFO [main.py:643]
{rank 0/100} MD step = 236900 step time: 00:00:00.018066 Performance: 125.702 ns/day 0.191 hours/ns 7.274 steps/s 2023-04-07 20:58:08,849 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 236900 47380 50.581 -36127 5543.8 -41671 -41671 2.4669 2.0208 0.80001 3.8009e+05 2023-04-07 20:58:10,718 INFO [main.py:643]
{rank 0/100} MD step = 237000 step time: 00:00:00.018083 Performance: 125.694 ns/day 0.191 hours/ns 7.274 steps/s 2023-04-07 20:58:15,825 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 237000 47400 50.244 -36231 5506.8 -41737 -41737 2.4683 2.0218 0.79882 3.8023e+05 2023-04-07 20:58:17,658 INFO [main.py:643]
{rank 0/100} MD step = 237100 step time: 00:00:00.017900 Performance: 125.720 ns/day 0.191 hours/ns 7.275 steps/s 2023-04-07 20:58:25,856 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 237100 47420 50.153 -36190 5496.8 -41686 -41686 2.4707 2.0224 0.79847 3.8042e+05 2023-04-07 20:58:27,952 INFO [main.py:643]
{rank 0/100} MD step = 237200 step time: 00:00:00.018179 Performance: 125.733 ns/day 0.191 hours/ns 7.276 steps/s 2023-04-07 20:58:36,457 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 237200 47440 49.831 -36252 5461.6 -41714 -41714 2.4728 2.0246 0.79949 3.8053e+05 2023-04-07 20:58:38,589 INFO [main.py:643]
{rank 0/100} MD step = 237300 step time: 00:00:00.018025 Performance: 125.745 ns/day 0.191 hours/ns 7.277 steps/s 2023-04-07 20:58:51,340 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 237300 47460 50.164 -36180 5498 -41678 -41678 2.4739 2.0261 0.79984 3.8073e+05 2023-04-07 20:58:53,239 INFO [main.py:643]
{rank 0/100} MD step = 237400 step time: 00:00:00.017987 Performance: 125.742 ns/day 0.191 hours/ns 7.277 steps/s 2023-04-07 20:58:54,537 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 237400 47480 49.967 -36232 5476.4 -41709 -41709 2.4756 2.0268 0.79936 3.8089e+05 2023-04-07 20:58:56,391 INFO [main.py:643]
{rank 0/100} MD step = 237500 step time: 00:00:00.017846 Performance: 125.783 ns/day 0.191 hours/ns 7.279 steps/s 2023-04-07 20:59:04,359 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 237500 47500 49.957 -36326 5475.4 -41802 -41802 2.4797 2.0266 0.79965 3.8106e+05 2023-04-07 20:59:06,336 INFO [main.py:643]
{rank 0/100} MD step = 237600 step time: 00:00:00.018035 Performance: 125.797 ns/day 0.191 hours/ns 7.280 steps/s 2023-04-07 20:59:12,844 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 237600 47520 49.517 -36194 5427.1 -41621 -41621 2.4815 2.028 0.8002 3.8122e+05 2023-04-07 20:59:14,765 INFO [main.py:643]
{rank 0/100} MD step = 237700 step time: 00:00:00.018105 Performance: 125.818 ns/day 0.191 hours/ns 7.281 steps/s 2023-04-07 20:59:19,449 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 237700 47540 50.302 -36189 5513.2 -41703 -41703 2.4846 2.0277 0.8008 3.8139e+05 2023-04-07 20:59:21,342 INFO [main.py:643]
{rank 0/100} MD step = 237800 step time: 00:00:00.018063 Performance: 125.845 ns/day 0.191 hours/ns 7.283 steps/s 2023-04-07 20:59:29,995 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 237800 47560 49.97 -36380 5476.8 -41857 -41857 2.4859 2.0272 0.80052 3.8152e+05 2023-04-07 20:59:31,826 INFO [main.py:643]
{rank 0/100} MD step = 237900 step time: 00:00:00.017764 Performance: 125.858 ns/day 0.191 hours/ns 7.283 steps/s 2023-04-07 20:59:44,948 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 237900 47580 50.451 -36181 5529.5 -41711 -41711 2.488 2.0277 0.80153 3.8167e+05 2023-04-07 20:59:46,823 INFO [main.py:643]
{rank 0/100} MD step = 238000 step time: 00:00:00.018175 Performance: 125.853 ns/day 0.191 hours/ns 7.283 steps/s 2023-04-07 20:59:53,099 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 238000 47600 50.447 -36097 5529 -41626 -41626 2.4922 2.0293 0.80241 3.8187e+05 2023-04-07 20:59:55,019 INFO [main.py:643]
{rank 0/100} MD step = 238100 step time: 00:00:00.018166 Performance: 125.874 ns/day 0.191 hours/ns 7.284 steps/s 2023-04-07 21:00:08,465 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 238100 47620 50.118 -36168 5493 -41661 -41661 2.4958 2.0299 0.80294 3.82e+05 2023-04-07 21:00:10,277 INFO [main.py:643]
{rank 0/100} MD step = 238200 step time: 00:00:00.017945 Performance: 125.868 ns/day 0.191 hours/ns 7.284 steps/s 2023-04-07 21:00:24,107 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 238200 47640 49.799 -36191 5458 -41649 -41649 2.4986 2.0301 0.8046 3.8216e+05 2023-04-07 21:00:26,139 INFO [main.py:643]
{rank 0/100} MD step = 238300 step time: 00:00:00.017955 Performance: 125.860 ns/day 0.191 hours/ns 7.284 steps/s 2023-04-07 21:00:30,627 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 238300 47660 50.002 -36184 5480.3 -41665 -41665 2.5009 2.0309 0.80661 3.8232e+05 2023-04-07 21:00:32,625 INFO [main.py:643]
{rank 0/100} MD step = 238400 step time: 00:00:00.018159 Performance: 125.888 ns/day 0.191 hours/ns 7.285 steps/s 2023-04-07 21:00:45,609 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 238400 47680 50.267 -36138 5509.4 -41648 -41648 2.502 2.0331 0.80603 3.8248e+05 2023-04-07 21:00:47,545 INFO [main.py:643]
{rank 0/100} MD step = 238500 step time: 00:00:00.018092 Performance: 125.884 ns/day 0.191 hours/ns 7.285 steps/s 2023-04-07 21:01:04,053 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 238500 47700 49.638 -36232 5440.3 -41672 -41672 2.5035 2.0325 0.80602 3.8264e+05 2023-04-07 21:01:05,844 INFO [main.py:643]
{rank 0/100} MD step = 238600 step time: 00:00:00.017928 Performance: 125.866 ns/day 0.191 hours/ns 7.284 steps/s 2023-04-07 21:01:28,109 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 238600 47720 49.968 -36278 5476.6 -41754 -41754 2.5095 2.0328 0.80827 3.8279e+05 2023-04-07 21:01:29,998 INFO [main.py:643]
{rank 0/100} MD step = 238700 step time: 00:00:00.018014 Performance: 125.826 ns/day 0.191 hours/ns 7.282 steps/s 2023-04-07 21:01:43,507 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 238700 47740 49.761 -36254 5453.9 -41708 -41708 2.5143 2.0321 0.80786 3.8298e+05 2023-04-07 21:01:45,645 INFO [main.py:643]
{rank 0/100} MD step = 238800 step time: 00:00:00.017973 Performance: 125.819 ns/day 0.191 hours/ns 7.281 steps/s 2023-04-07 21:01:58,154 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 238800 47760 50.89 -36119 5577.6 -41696 -41696 2.5154 2.0342 0.80734 3.8313e+05 2023-04-07 21:02:04,112 INFO [main.py:643]
{rank 0/100} MD step = 238900 step time: 00:00:00.017960 Performance: 125.800 ns/day 0.191 hours/ns 7.280 steps/s 2023-04-07 21:02:08,973 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 238900 47780 49.886 -36209 5467.5 -41677 -41677 2.5183 2.0355 0.80797 3.8331e+05 2023-04-07 21:02:10,788 INFO [main.py:643]
{rank 0/100} MD step = 239000 step time: 00:00:00.017804 Performance: 125.828 ns/day 0.191 hours/ns 7.282 steps/s 2023-04-07 21:02:24,499 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 239000 47800 50.243 -36205 5506.7 -41712 -41712 2.5211 2.0379 0.80725 3.8346e+05 2023-04-07 21:02:26,349 INFO [main.py:643]
{rank 0/100} MD step = 239100 step time: 00:00:00.017953 Performance: 125.820 ns/day 0.191 hours/ns 7.281 steps/s 2023-04-07 21:02:27,147 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 239100 47820 49.639 -36244 5440.5 -41684 -41684 2.5226 2.0386 0.8078 3.8362e+05 2023-04-07 21:02:29,497 INFO [main.py:643]
{rank 0/100} MD step = 239200 step time: 00:00:00.018348 Performance: 125.861 ns/day 0.191 hours/ns 7.284 steps/s 2023-04-07 21:02:34,635 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 239200 47840 50.307 -36160 5513.7 -41673 -41673 2.5236 2.0388 0.80766 3.8378e+05 2023-04-07 21:02:36,507 INFO [main.py:643]
{rank 0/100} MD step = 239300 step time: 00:00:00.018050 Performance: 125.887 ns/day 0.191 hours/ns 7.285 steps/s 2023-04-07 21:02:45,221 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 239300 47860 49.701 -36266 5447.2 -41713 -41713 2.5259 2.04 0.80812 3.8393e+05 2023-04-07 21:02:47,094 INFO [main.py:643]
{rank 0/100} MD step = 239400 step time: 00:00:00.019601 Performance: 125.899 ns/day 0.191 hours/ns 7.286 steps/s 2023-04-07 21:03:04,741 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 239400 47880 49.873 -36219 5466.2 -41685 -41685 2.527 2.042 0.80833 3.8412e+05 2023-04-07 21:03:06,581 INFO [main.py:643]
{rank 0/100} MD step = 239500 step time: 00:00:00.018307 Performance: 125.877 ns/day 0.191 hours/ns 7.285 steps/s 2023-04-07 21:03:20,215 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 239500 47900 49.637 -36278 5440.3 -41718 -41718 2.5295 2.0434 0.8101 3.8428e+05 2023-04-07 21:03:22,072 INFO [main.py:643]
{rank 0/100} MD step = 239600 step time: 00:00:00.018110 Performance: 125.870 ns/day 0.191 hours/ns 7.284 steps/s 2023-04-07 21:03:23,616 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 239600 47920 49.982 -36289 5478 -41767 -41767 2.5317 2.0437 0.81149 3.8443e+05 2023-04-07 21:03:25,672 INFO [main.py:643]
{rank 0/100} MD step = 239700 step time: 00:00:00.018068 Performance: 125.909 ns/day 0.191 hours/ns 7.286 steps/s 2023-04-07 21:03:38,228 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 239700 47940 49.554 -36277 5431.1 -41708 -41708 2.534 2.0437 0.81188 3.8462e+05 2023-04-07 21:03:40,287 INFO [main.py:643]
{rank 0/100} MD step = 239800 step time: 00:00:00.018184 Performance: 125.905 ns/day 0.191 hours/ns 7.286 steps/s 2023-04-07 21:04:28,761 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 239800 47960 49.655 -36250 5442.3 -41693 -41693 2.5362 2.0447 0.81148 3.8478e+05 2023-04-07 21:04:30,797 INFO [main.py:643]
{rank 0/100} MD step = 239900 step time: 00:00:00.017812 Performance: 125.765 ns/day 0.191 hours/ns 7.278 steps/s 2023-04-07 21:04:45,762 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 239900 47980 49.596 -36262 5435.8 -41698 -41698 2.539 2.0457 0.81069 3.8492e+05 2023-04-07 21:04:47,576 INFO [main.py:643]
{rank 0/100} MD step = 240000 step time: 00:00:00.017857 Performance: 125.753 ns/day 0.191 hours/ns 7.277 steps/s 2023-04-07 21:04:48,728 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 240000 48000 49.992 -36234 5479.1 -41713 -41713 2.5395 2.047 0.81071 3.8507e+05 2023-04-07 21:04:50,667 INFO [main.py:643]
{rank 0/100} MD step = 240100 step time: 00:00:00.018253 Performance: 125.794 ns/day 0.191 hours/ns 7.280 steps/s 2023-04-07 21:04:57,611 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 240100 48020 50.178 -36228 5499.6 -41728 -41728 2.5424 2.0478 0.81066 3.8523e+05 2023-04-07 21:04:59,678 INFO [main.py:643]
{rank 0/100} MD step = 240200 step time: 00:00:00.018130 Performance: 125.812 ns/day 0.191 hours/ns 7.281 steps/s 2023-04-07 21:05:01,627 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 240200 48040 50.327 -36154 5515.9 -41670 -41670 2.544 2.0482 0.8113 3.8539e+05 2023-04-07 21:05:03,497 INFO [main.py:643]
{rank 0/100} MD step = 240300 step time: 00:00:00.018093 Performance: 125.850 ns/day 0.191 hours/ns 7.283 steps/s 2023-04-07 21:05:07,267 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 240300 48060 50.22 -36146 5504.2 -41650 -41650 2.5444 2.0489 0.81283 3.8557e+05 2023-04-07 21:05:09,539 INFO [main.py:643]
{rank 0/100} MD step = 240400 step time: 00:00:00.018069 Performance: 125.879 ns/day 0.191 hours/ns 7.285 steps/s 2023-04-07 21:05:13,459 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 240400 48080 49.942 -36124 5473.8 -41598 -41598 2.5482 2.0519 0.8127 3.8574e+05 2023-04-07 21:05:15,454 INFO [main.py:643]
{rank 0/100} MD step = 240500 step time: 00:00:00.018128 Performance: 125.909 ns/day 0.191 hours/ns 7.286 steps/s 2023-04-07 21:05:25,235 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 240500 48100 50.272 -36137 5509.9 -41647 -41647 2.5479 2.0536 0.81241 3.8589e+05 2023-04-07 21:05:27,124 INFO [main.py:643]
{rank 0/100} MD step = 240600 step time: 00:00:00.017917 Performance: 125.917 ns/day 0.191 hours/ns 7.287 steps/s 2023-04-07 21:05:29,045 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 240600 48120 49.896 -36139 5468.7 -41608 -41608 2.5519 2.0555 0.81294 3.8604e+05 2023-04-07 21:05:30,875 INFO [main.py:643]
{rank 0/100} MD step = 240700 step time: 00:00:00.018000 Performance: 125.955 ns/day 0.191 hours/ns 7.289 steps/s 2023-04-07 21:05:31,985 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 240700 48140 50.107 -36080 5491.7 -41571 -41571 2.5513 2.0573 0.81316 3.8623e+05 2023-04-07 21:05:33,802 INFO [main.py:643]
{rank 0/100} MD step = 240800 step time: 00:00:00.018154 Performance: 125.996 ns/day 0.190 hours/ns 7.291 steps/s 2023-04-07 21:05:34,927 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 240800 48160 50.341 -36118 5517.4 -41635 -41635 2.5532 2.0576 0.81377 3.8637e+05 2023-04-07 21:05:36,778 INFO [main.py:643]
{rank 0/100} MD step = 240900 step time: 00:00:00.018026 Performance: 126.037 ns/day 0.190 hours/ns 7.294 steps/s 2023-04-07 21:05:42,107 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 240900 48180 50.758 -36106 5563.1 -41669 -41669 2.554 2.0566 0.81365 3.8654e+05 2023-04-07 21:05:43,974 INFO [main.py:643]
{rank 0/100} MD step = 241000 step time: 00:00:00.017922 Performance: 126.062 ns/day 0.190 hours/ns 7.295 steps/s 2023-04-07 21:05:52,143 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 241000 48200 49.726 -36251 5450 -41701 -41701 2.5545 2.0575 0.81536 3.8668e+05 2023-04-07 21:05:54,046 INFO [main.py:643]
{rank 0/100} MD step = 241100 step time: 00:00:00.018126 Performance: 126.076 ns/day 0.190 hours/ns 7.296 steps/s 2023-04-07 21:06:03,481 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 241100 48220 50.658 -36132 5552.2 -41684 -41684 2.5561 2.0584 0.81734 3.8685e+05 2023-04-07 21:06:05,418 INFO [main.py:643]
{rank 0/100} MD step = 241200 step time: 00:00:00.018059 Performance: 126.084 ns/day 0.190 hours/ns 7.297 steps/s 2023-04-07 21:06:13,793 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 241200 48240 50.283 -36206 5511 -41717 -41717 2.5555 2.0593 0.81899 3.8703e+05 2023-04-07 21:06:15,827 INFO [main.py:643]
{rank 0/100} MD step = 241300 step time: 00:00:00.017935 Performance: 126.097 ns/day 0.190 hours/ns 7.297 steps/s 2023-04-07 21:06:24,139 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 241300 48260 50.112 -36148 5492.4 -41640 -41640 2.559 2.0606 0.81907 3.8721e+05 2023-04-07 21:06:26,217 INFO [main.py:643]
{rank 0/100} MD step = 241400 step time: 00:00:00.017964 Performance: 126.110 ns/day 0.190 hours/ns 7.298 steps/s 2023-04-07 21:06:31,987 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 241400 48280 50.477 -36117 5532.3 -41650 -41650 2.5606 2.0605 0.81834 3.8736e+05 2023-04-07 21:06:33,933 INFO [main.py:643]
{rank 0/100} MD step = 241500 step time: 00:00:00.017999 Performance: 126.132 ns/day 0.190 hours/ns 7.299 steps/s 2023-04-07 21:06:34,646 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 241500 48300 49.782 -36315 5456.2 -41771 -41771 2.5649 2.0625 0.8176 3.8751e+05 2023-04-07 21:06:41,162 INFO [main.py:643]
{rank 0/100} MD step = 241600 step time: 00:00:00.018718 Performance: 126.157 ns/day 0.190 hours/ns 7.301 steps/s 2023-04-07 21:06:58,721 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 241600 48320 50.207 -36226 5502.8 -41728 -41728 2.5662 2.0641 0.81835 3.8766e+05 2023-04-07 21:07:00,656 INFO [main.py:643]
{rank 0/100} MD step = 241700 step time: 00:00:00.018029 Performance: 126.135 ns/day 0.190 hours/ns 7.299 steps/s 2023-04-07 21:07:13,528 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 241700 48340 50.168 -36170 5498.5 -41668 -41668 2.5681 2.0643 0.81749 3.8785e+05 2023-04-07 21:07:15,403 INFO [main.py:643]
{rank 0/100} MD step = 241800 step time: 00:00:00.017953 Performance: 126.131 ns/day 0.190 hours/ns 7.299 steps/s 2023-04-07 21:07:16,667 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 241800 48360 50.108 -36270 5491.9 -41762 -41762 2.5687 2.0655 0.8165 3.8801e+05 2023-04-07 21:07:18,537 INFO [main.py:643]
{rank 0/100} MD step = 241900 step time: 00:00:00.017960 Performance: 126.171 ns/day 0.190 hours/ns 7.302 steps/s 2023-04-07 21:07:26,473 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 241900 48380 49.766 -36293 5454.4 -41748 -41748 2.5715 2.0661 0.81627 3.8817e+05 2023-04-07 21:07:28,468 INFO [main.py:643]
{rank 0/100} MD step = 242000 step time: 00:00:00.017919 Performance: 126.186 ns/day 0.190 hours/ns 7.302 steps/s 2023-04-07 21:07:42,069 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 242000 48400 49.759 -36124 5453.7 -41577 -41577 2.5757 2.0665 0.81548 3.884e+05 2023-04-07 21:07:43,991 INFO [main.py:643]
{rank 0/100} MD step = 242100 step time: 00:00:00.017990 Performance: 126.179 ns/day 0.190 hours/ns 7.302 steps/s 2023-04-07 21:08:01,292 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 242100 48420 50.359 -36194 5519.4 -41714 -41714 2.5774 2.0675 0.81561 3.8854e+05 2023-04-07 21:08:03,234 INFO [main.py:643]
{rank 0/100} MD step = 242200 step time: 00:00:00.017977 Performance: 126.158 ns/day 0.190 hours/ns 7.301 steps/s 2023-04-07 21:08:04,384 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 242200 48440 49.599 -36341 5436.2 -41777 -41777 2.5779 2.067 0.81729 3.8865e+05 2023-04-07 21:08:06,282 INFO [main.py:643]
{rank 0/100} MD step = 242300 step time: 00:00:00.018003 Performance: 126.198 ns/day 0.190 hours/ns 7.303 steps/s 2023-04-07 21:08:10,190 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 242300 48460 50.518 -36013 5536.9 -41550 -41550 2.5795 2.0687 0.81774 3.8888e+05 2023-04-07 21:08:12,046 INFO [main.py:643]
{rank 0/100} MD step = 242400 step time: 00:00:00.018033 Performance: 126.228 ns/day 0.190 hours/ns 7.305 steps/s 2023-04-07 21:08:20,399 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 242400 48480 49.684 -36238 5445.4 -41683 -41683 2.5799 2.0687 0.81725 3.8903e+05 2023-04-07 21:08:22,297 INFO [main.py:643]
{rank 0/100} MD step = 242500 step time: 00:00:00.018032 Performance: 126.241 ns/day 0.190 hours/ns 7.306 steps/s 2023-04-07 21:08:27,358 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 242500 48500 50.003 -36226 5480.4 -41707 -41707 2.584 2.0697 0.81735 3.8921e+05 2023-04-07 21:08:29,175 INFO [main.py:643]
{rank 0/100} MD step = 242600 step time: 00:00:00.018012 Performance: 126.267 ns/day 0.190 hours/ns 7.307 steps/s 2023-04-07 21:08:30,299 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 242600 48520 50.412 -36096 5525.2 -41621 -41621 2.5867 2.071 0.81947 3.8937e+05 2023-04-07 21:08:32,233 INFO [main.py:643]
{rank 0/100} MD step = 242700 step time: 00:00:00.018194 Performance: 126.308 ns/day 0.190 hours/ns 7.309 steps/s 2023-04-07 21:08:52,824 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 242700 48540 50.42 -36159 5526.1 -41685 -41685 2.5899 2.0701 0.8197 3.8952e+05 2023-04-07 21:08:54,680 INFO [main.py:643]
{rank 0/100} MD step = 242800 step time: 00:00:00.017724 Performance: 126.274 ns/day 0.190 hours/ns 7.308 steps/s 2023-04-07 21:09:03,801 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 242800 48560 50.139 -36174 5495.3 -41669 -41669 2.5953 2.0719 0.82027 3.8967e+05 2023-04-07 21:09:05,784 INFO [main.py:643]
{rank 0/100} MD step = 242900 step time: 00:00:00.018100 Performance: 126.284 ns/day 0.190 hours/ns 7.308 steps/s 2023-04-07 21:09:18,568 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 242900 48580 49.382 -36318 5412.3 -41730 -41730 2.5966 2.0717 0.81856 3.8983e+05 2023-04-07 21:09:20,387 INFO [main.py:643]
{rank 0/100} MD step = 243000 step time: 00:00:00.017854 Performance: 126.281 ns/day 0.190 hours/ns 7.308 steps/s 2023-04-07 21:09:37,797 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 243000 48600 49.458 -36257 5420.7 -41678 -41678 2.5983 2.0722 0.81862 3.8999e+05 2023-04-07 21:09:39,671 INFO [main.py:643]
{rank 0/100} MD step = 243100 step time: 00:00:00.017998 Performance: 126.259 ns/day 0.190 hours/ns 7.307 steps/s 2023-04-07 21:09:40,462 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 243100 48620 50.035 -36227 5483.9 -41711 -41711 2.5984 2.0714 0.82036 3.9014e+05 2023-04-07 21:09:45,838 INFO [main.py:643]
{rank 0/100} MD step = 243200 step time: 00:00:00.018158 Performance: 126.288 ns/day 0.190 hours/ns 7.308 steps/s 2023-04-07 21:09:59,678 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 243200 48640 49.256 -36229 5398.5 -41628 -41628 2.6015 2.0734 0.8218 3.9031e+05 2023-04-07 21:10:01,473 INFO [main.py:643]
{rank 0/100} MD step = 243300 step time: 00:00:00.018129 Performance: 126.280 ns/day 0.190 hours/ns 7.308 steps/s 2023-04-07 21:10:18,422 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 243300 48660 50.822 -36150 5570.1 -41720 -41720 2.6053 2.0739 0.82385 3.9048e+05 2023-04-07 21:10:20,378 INFO [main.py:643]
{rank 0/100} MD step = 243400 step time: 00:00:00.018123 Performance: 126.261 ns/day 0.190 hours/ns 7.307 steps/s 2023-04-07 21:10:38,020 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 243400 48680 49.742 -36328 5451.7 -41779 -41779 2.608 2.0766 0.82205 3.9062e+05 2023-04-07 21:10:39,886 INFO [main.py:643]
{rank 0/100} MD step = 243500 step time: 00:00:00.017970 Performance: 126.239 ns/day 0.190 hours/ns 7.305 steps/s 2023-04-07 21:10:48,508 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 243500 48700 50.295 -36121 5512.4 -41633 -41633 2.61 2.0761 0.82268 3.9078e+05 2023-04-07 21:10:50,364 INFO [main.py:643]
{rank 0/100} MD step = 243600 step time: 00:00:00.017978 Performance: 126.251 ns/day 0.190 hours/ns 7.306 steps/s 2023-04-07 21:11:16,566 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 243600 48720 50.192 -36275 5501.1 -41776 -41776 2.6115 2.0767 0.82371 3.9093e+05 2023-04-07 21:11:18,807 INFO [main.py:643]
{rank 0/100} MD step = 243700 step time: 00:00:00.017961 Performance: 126.195 ns/day 0.190 hours/ns 7.303 steps/s 2023-04-07 21:11:26,846 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 243700 48740 49.478 -36345 5422.8 -41768 -41768 2.6166 2.0767 0.8234 3.911e+05 2023-04-07 21:11:28,781 INFO [main.py:643]
{rank 0/100} MD step = 243800 step time: 00:00:00.018028 Performance: 126.209 ns/day 0.190 hours/ns 7.304 steps/s 2023-04-07 21:11:46,748 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 243800 48760 50.206 -36206 5502.7 -41709 -41709 2.6185 2.0801 0.82194 3.9127e+05 2023-04-07 21:11:48,646 INFO [main.py:643]
{rank 0/100} MD step = 243900 step time: 00:00:00.018327 Performance: 126.186 ns/day 0.190 hours/ns 7.302 steps/s 2023-04-07 21:12:01,782 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 243900 48780 50.099 -36102 5491 -41593 -41593 2.6193 2.0813 0.82139 3.9147e+05 2023-04-07 21:12:07,383 INFO [main.py:643]
{rank 0/100} MD step = 244000 step time: 00:00:00.017901 Performance: 126.167 ns/day 0.190 hours/ns 7.301 steps/s 2023-04-07 21:12:12,195 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 244000 48800 50.174 -36252 5499.1 -41751 -41751 2.622 2.0819 0.82136 3.9158e+05 2023-04-07 21:12:14,497 INFO [main.py:643]
{rank 0/100} MD step = 244100 step time: 00:00:00.018079 Performance: 126.191 ns/day 0.190 hours/ns 7.303 steps/s 2023-04-07 21:12:31,676 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 244100 48820 48.694 -36357 5336.9 -41694 -41694 2.6223 2.0832 0.82271 3.9174e+05 2023-04-07 21:12:33,483 INFO [main.py:643]
{rank 0/100} MD step = 244200 step time: 00:00:00.017885 Performance: 126.171 ns/day 0.190 hours/ns 7.302 steps/s 2023-04-07 21:12:55,094 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 244200 48840 49.802 -36164 5458.3 -41623 -41623 2.6254 2.0842 0.82261 3.9192e+05 2023-04-07 21:12:57,097 INFO [main.py:643]
{rank 0/100} MD step = 244300 step time: 00:00:00.017887 Performance: 126.134 ns/day 0.190 hours/ns 7.299 steps/s 2023-04-07 21:13:10,362 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 244300 48860 50.786 -36006 5566.2 -41572 -41572 2.6265 2.0852 0.82284 3.921e+05 2023-04-07 21:13:12,318 INFO [main.py:643]
{rank 0/100} MD step = 244400 step time: 00:00:00.017949 Performance: 126.128 ns/day 0.190 hours/ns 7.299 steps/s 2023-04-07 21:13:25,118 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 244400 48880 50.084 -36194 5489.2 -41683 -41683 2.6238 2.0854 0.8245 3.9224e+05 2023-04-07 21:13:27,054 INFO [main.py:643]
{rank 0/100} MD step = 244500 step time: 00:00:00.017926 Performance: 126.124 ns/day 0.190 hours/ns 7.299 steps/s 2023-04-07 21:13:53,077 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 244500 48900 50.2 -36206 5502 -41708 -41708 2.6247 2.086 0.82499 3.9241e+05 2023-04-07 21:13:55,109 INFO [main.py:643]
{rank 0/100} MD step = 244600 step time: 00:00:00.018292 Performance: 126.070 ns/day 0.190 hours/ns 7.296 steps/s 2023-04-07 21:13:56,548 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 244600 48920 49.687 -36201 5445.7 -41647 -41647 2.6281 2.0876 0.82378 3.926e+05 2023-04-07 21:13:58,460 INFO [main.py:643]
{rank 0/100} MD step = 244700 step time: 00:00:00.018036 Performance: 126.109 ns/day 0.190 hours/ns 7.298 steps/s 2023-04-07 21:14:18,780 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 244700 48940 49.531 -36278 5428.7 -41707 -41707 2.6307 2.0888 0.82283 3.9274e+05 2023-04-07 21:14:20,589 INFO [main.py:643]
{rank 0/100} MD step = 244800 step time: 00:00:00.018138 Performance: 126.078 ns/day 0.190 hours/ns 7.296 steps/s 2023-04-07 21:14:27,457 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 244800 48960 49.449 -36260 5419.6 -41680 -41680 2.631 2.0896 0.82273 3.9292e+05 2023-04-07 21:14:29,767 INFO [main.py:643]
{rank 0/100} MD step = 244900 step time: 00:00:00.017918 Performance: 126.095 ns/day 0.190 hours/ns 7.297 steps/s 2023-04-07 21:14:42,791 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 244900 48980 50.544 -36196 5539.7 -41736 -41736 2.6325 2.09 0.82306 3.9305e+05 2023-04-07 21:14:48,461 INFO [main.py:643]
{rank 0/100} MD step = 245000 step time: 00:00:00.017965 Performance: 126.076 ns/day 0.190 hours/ns 7.296 steps/s 2023-04-07 21:15:01,996 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 245000 49000 50.311 -36227 5514.1 -41741 -41741 2.6352 2.0913 0.82292 3.9321e+05 2023-04-07 21:15:03,845 INFO [main.py:643]
{rank 0/100} MD step = 245100 step time: 00:00:00.017781 Performance: 126.070 ns/day 0.190 hours/ns 7.296 steps/s 2023-04-07 21:15:21,200 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 245100 49020 50.064 -36153 5487.1 -41640 -41640 2.6338 2.0922 0.82205 3.9339e+05 2023-04-07 21:15:23,082 INFO [main.py:643]
{rank 0/100} MD step = 245200 step time: 00:00:00.017741 Performance: 126.049 ns/day 0.190 hours/ns 7.294 steps/s 2023-04-07 21:15:36,268 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 245200 49040 51.059 -36084 5596.1 -41680 -41680 2.6361 2.0907 0.82252 3.9357e+05 2023-04-07 21:15:38,123 INFO [main.py:643]
{rank 0/100} MD step = 245300 step time: 00:00:00.017991 Performance: 126.044 ns/day 0.190 hours/ns 7.294 steps/s 2023-04-07 21:15:55,782 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 245300 49060 49.684 -36356 5445.4 -41802 -41802 2.6372 2.0901 0.82256 3.9372e+05 2023-04-07 21:15:57,607 INFO [main.py:643]
{rank 0/100} MD step = 245400 step time: 00:00:00.017799 Performance: 126.022 ns/day 0.190 hours/ns 7.293 steps/s 2023-04-07 21:16:06,780 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 245400 49080 49.978 -36211 5477.6 -41689 -41689 2.6382 2.0919 0.82214 3.9394e+05 2023-04-07 21:16:08,705 INFO [main.py:643]
{rank 0/100} MD step = 245500 step time: 00:00:00.018036 Performance: 126.032 ns/day 0.190 hours/ns 7.294 steps/s 2023-04-07 21:16:14,290 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 245500 49100 49.977 -36100 5477.5 -41577 -41577 2.6386 2.0913 0.8221 3.9412e+05 2023-04-07 21:16:16,284 INFO [main.py:643]
{rank 0/100} MD step = 245600 step time: 00:00:00.017942 Performance: 126.055 ns/day 0.190 hours/ns 7.295 steps/s 2023-04-07 21:16:29,663 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 245600 49120 49.489 -36227 5424 -41651 -41651 2.6421 2.0911 0.82398 3.9425e+05 2023-04-07 21:16:31,572 INFO [main.py:643]
{rank 0/100} MD step = 245700 step time: 00:00:00.017914 Performance: 126.049 ns/day 0.190 hours/ns 7.295 steps/s 2023-04-07 21:16:33,559 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 245700 49140 49.595 -36205 5435.7 -41641 -41641 2.6434 2.0914 0.82541 3.9444e+05 2023-04-07 21:16:35,529 INFO [main.py:643]
{rank 0/100} MD step = 245800 step time: 00:00:00.018133 Performance: 126.086 ns/day 0.190 hours/ns 7.297 steps/s 2023-04-07 21:16:41,376 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 245800 49160 50.209 -36173 5503 -41676 -41676 2.6466 2.0923 0.8244 3.9456e+05 2023-04-07 21:16:43,168 INFO [main.py:643]
{rank 0/100} MD step = 245900 step time: 00:00:00.017908 Performance: 126.108 ns/day 0.190 hours/ns 7.298 steps/s 2023-04-07 21:16:47,222 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 245900 49180 49.445 -36374 5419.2 -41793 -41793 2.6494 2.0929 0.82544 3.9473e+05 2023-04-07 21:16:49,765 INFO [main.py:643]
{rank 0/100} MD step = 246000 step time: 00:00:00.018014 Performance: 126.135 ns/day 0.190 hours/ns 7.299 steps/s 2023-04-07 21:16:50,927 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 246000 49200 50.406 -36075 5524.5 -41600 -41600 2.653 2.0938 0.82588 3.9494e+05 2023-04-07 21:16:52,879 INFO [main.py:643]
{rank 0/100} MD step = 246100 step time: 00:00:00.017850 Performance: 126.175 ns/day 0.190 hours/ns 7.302 steps/s 2023-04-07 21:16:53,989 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 246100 49220 49.79 -36273 5457 -41730 -41730 2.6559 2.0932 0.8266 3.951e+05 2023-04-07 21:16:55,869 INFO [main.py:643]
{rank 0/100} MD step = 246200 step time: 00:00:00.017946 Performance: 126.215 ns/day 0.190 hours/ns 7.304 steps/s 2023-04-07 21:16:59,866 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 246200 49240 50.225 -36133 5504.7 -41638 -41638 2.6563 2.0921 0.82589 3.9528e+05 2023-04-07 21:17:01,751 INFO [main.py:643]
{rank 0/100} MD step = 246300 step time: 00:00:00.018195 Performance: 126.244 ns/day 0.190 hours/ns 7.306 steps/s 2023-04-07 21:17:15,462 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 246300 49260 49.852 -36278 5463.8 -41742 -41742 2.6589 2.0932 0.82678 3.9539e+05 2023-04-07 21:17:17,345 INFO [main.py:643]
{rank 0/100} MD step = 246400 step time: 00:00:00.017819 Performance: 126.237 ns/day 0.190 hours/ns 7.305 steps/s 2023-04-07 21:17:42,073 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 246400 49280 50.245 -36132 5506.9 -41639 -41639 2.6609 2.0937 0.82744 3.9558e+05 2023-04-07 21:17:44,010 INFO [main.py:643]
{rank 0/100} MD step = 246500 step time: 00:00:00.018015 Performance: 126.188 ns/day 0.190 hours/ns 7.303 steps/s 2023-04-07 21:17:54,119 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 246500 49300 50.387 -36183 5522.5 -41705 -41705 2.6648 2.0948 0.82789 3.9571e+05 2023-04-07 21:17:55,939 INFO [main.py:643]
{rank 0/100} MD step = 246600 step time: 00:00:00.017879 Performance: 126.195 ns/day 0.190 hours/ns 7.303 steps/s 2023-04-07 21:18:21,842 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 246600 49320 49.335 -36303 5407.1 -41710 -41710 2.6659 2.0959 0.82725 3.9587e+05 2023-04-07 21:18:23,684 INFO [main.py:643]
{rank 0/100} MD step = 246700 step time: 00:00:00.017902 Performance: 126.142 ns/day 0.190 hours/ns 7.300 steps/s 2023-04-07 21:18:40,942 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 246700 49340 49.171 -36171 5389.2 -41561 -41561 2.6666 2.0965 0.82682 3.9605e+05 2023-04-07 21:18:42,787 INFO [main.py:643]
{rank 0/100} MD step = 246800 step time: 00:00:00.018036 Performance: 126.122 ns/day 0.190 hours/ns 7.299 steps/s 2023-04-07 21:19:00,471 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 246800 49360 50.697 -36236 5556.5 -41792 -41792 2.6688 2.0981 0.828 3.9618e+05 2023-04-07 21:19:02,315 INFO [main.py:643]
{rank 0/100} MD step = 246900 step time: 00:00:00.017977 Performance: 126.100 ns/day 0.190 hours/ns 7.297 steps/s 2023-04-07 21:19:06,769 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 246900 49380 51.449 -36054 5638.8 -41693 -41693 2.669 2.0994 0.82911 3.9635e+05 2023-04-07 21:19:12,801 INFO [main.py:643]
{rank 0/100} MD step = 247000 step time: 00:00:00.018084 Performance: 126.112 ns/day 0.190 hours/ns 7.298 steps/s 2023-04-07 21:19:30,183 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 247000 49400 49.796 -36219 5457.7 -41677 -41677 2.6686 2.101 0.82882 3.9654e+05 2023-04-07 21:19:31,979 INFO [main.py:643]
{rank 0/100} MD step = 247100 step time: 00:00:00.017832 Performance: 126.092 ns/day 0.190 hours/ns 7.297 steps/s 2023-04-07 21:19:33,196 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 247100 49420 49.638 -36263 5440.4 -41703 -41703 2.6702 2.1015 0.82759 3.9669e+05 2023-04-07 21:19:35,066 INFO [main.py:643]
{rank 0/100} MD step = 247200 step time: 00:00:00.018125 Performance: 126.132 ns/day 0.190 hours/ns 7.299 steps/s 2023-04-07 21:20:00,913 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 247200 49440 49.299 -36200 5403.2 -41603 -41603 2.6701 2.1012 0.82668 3.9685e+05 2023-04-07 21:20:02,799 INFO [main.py:643]
{rank 0/100} MD step = 247300 step time: 00:00:00.017984 Performance: 126.079 ns/day 0.190 hours/ns 7.296 steps/s 2023-04-07 21:20:20,213 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 247300 49460 50.011 -36228 5481.3 -41709 -41709 2.6726 2.1013 0.82641 3.97e+05 2023-04-07 21:20:22,037 INFO [main.py:643]
{rank 0/100} MD step = 247400 step time: 00:00:00.017957 Performance: 126.059 ns/day 0.190 hours/ns 7.295 steps/s 2023-04-07 21:20:56,194 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 247400 49480 50.5 -36136 5534.9 -41670 -41670 2.6745 2.0997 0.82673 3.9717e+05 2023-04-07 21:20:58,076 INFO [main.py:643]
{rank 0/100} MD step = 247500 step time: 00:00:00.018192 Performance: 125.976 ns/day 0.191 hours/ns 7.290 steps/s 2023-04-07 21:21:02,638 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 247500 49500 49.691 -36192 5446.2 -41638 -41638 2.6744 2.1007 0.8257 3.9732e+05 2023-04-07 21:21:04,704 INFO [main.py:643]
{rank 0/100} MD step = 247600 step time: 00:00:00.017908 Performance: 126.002 ns/day 0.190 hours/ns 7.292 steps/s 2023-04-07 21:21:22,275 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 247600 49520 49.411 -36342 5415.5 -41758 -41758 2.6778 2.1024 0.82363 3.9747e+05 2023-04-07 21:21:24,303 INFO [main.py:643]
{rank 0/100} MD step = 247700 step time: 00:00:00.017981 Performance: 125.980 ns/day 0.191 hours/ns 7.291 steps/s 2023-04-07 21:21:32,406 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 247700 49540 49.842 -36225 5462.8 -41687 -41687 2.6808 2.1017 0.82631 3.9765e+05 2023-04-07 21:21:34,462 INFO [main.py:643]
{rank 0/100} MD step = 247800 step time: 00:00:00.018091 Performance: 125.994 ns/day 0.190 hours/ns 7.291 steps/s 2023-04-07 21:21:43,536 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 247800 49560 51.037 -35982 5593.7 -41575 -41575 2.6803 2.1022 0.82727 3.9784e+05 2023-04-07 21:21:45,409 INFO [main.py:643]
{rank 0/100} MD step = 247900 step time: 00:00:00.017960 Performance: 126.004 ns/day 0.190 hours/ns 7.292 steps/s 2023-04-07 21:21:54,078 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 247900 49580 49.648 -36257 5441.5 -41698 -41698 2.6844 2.1042 0.82834 3.9798e+05 2023-04-07 21:22:00,012 INFO [main.py:643]
{rank 0/100} MD step = 248000 step time: 00:00:00.018015 Performance: 126.000 ns/day 0.190 hours/ns 7.292 steps/s 2023-04-07 21:22:17,670 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 248000 49600 51.317 -35989 5624.4 -41613 -41613 2.6842 2.1056 0.82937 3.9814e+05 2023-04-07 21:22:19,653 INFO [main.py:643]
{rank 0/100} MD step = 248100 step time: 00:00:00.018021 Performance: 125.979 ns/day 0.191 hours/ns 7.290 steps/s 2023-04-07 21:22:28,327 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 248100 49620 49.92 -36163 5471.3 -41635 -41635 2.6861 2.1072 0.83132 3.9831e+05 2023-04-07 21:22:34,823 INFO [main.py:643]
{rank 0/100} MD step = 248200 step time: 00:00:00.017842 Performance: 125.973 ns/day 0.191 hours/ns 7.290 steps/s 2023-04-07 21:22:36,051 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 248200 49640 50.619 -36182 5547.9 -41729 -41729 2.689 2.1081 0.8321 3.9845e+05 2023-04-07 21:22:38,007 INFO [main.py:643]
{rank 0/100} MD step = 248300 step time: 00:00:00.018039 Performance: 126.012 ns/day 0.190 hours/ns 7.292 steps/s 2023-04-07 21:23:00,871 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 248300 49660 50.504 -36194 5535.3 -41730 -41730 2.6913 2.1084 0.83331 3.986e+05 2023-04-07 21:23:02,695 INFO [main.py:643]
{rank 0/100} MD step = 248400 step time: 00:00:00.017984 Performance: 125.972 ns/day 0.191 hours/ns 7.290 steps/s 2023-04-07 21:23:08,752 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 248400 49680 50.049 -36273 5485.4 -41758 -41758 2.6912 2.1081 0.83462 3.9876e+05 2023-04-07 21:23:10,702 INFO [main.py:643]
{rank 0/100} MD step = 248500 step time: 00:00:00.017915 Performance: 125.993 ns/day 0.190 hours/ns 7.291 steps/s 2023-04-07 21:23:28,902 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 248500 49700 49.939 -36221 5473.4 -41694 -41694 2.6948 2.1087 0.83598 3.9893e+05 2023-04-07 21:23:30,787 INFO [main.py:643]
{rank 0/100} MD step = 248600 step time: 00:00:00.018009 Performance: 125.969 ns/day 0.191 hours/ns 7.290 steps/s 2023-04-07 21:23:38,782 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 248600 49720 50.093 -36276 5490.3 -41766 -41766 2.6961 2.1107 0.83555 3.9909e+05 2023-04-07 21:23:40,606 INFO [main.py:643]
{rank 0/100} MD step = 248700 step time: 00:00:00.017901 Performance: 125.983 ns/day 0.191 hours/ns 7.291 steps/s 2023-04-07 21:23:46,498 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 248700 49740 50.102 -36231 5491.2 -41722 -41722 2.6983 2.1114 0.83569 3.9925e+05 2023-04-07 21:23:48,385 INFO [main.py:643]
{rank 0/100} MD step = 248800 step time: 00:00:00.018583 Performance: 126.005 ns/day 0.190 hours/ns 7.292 steps/s 2023-04-07 21:23:52,711 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 248800 49760 50.115 -36146 5492.7 -41639 -41639 2.7004 2.1123 0.83629 3.9942e+05 2023-04-07 21:23:54,687 INFO [main.py:643]
{rank 0/100} MD step = 248900 step time: 00:00:00.018226 Performance: 126.033 ns/day 0.190 hours/ns 7.294 steps/s 2023-04-07 21:24:28,678 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 248900 49780 50.256 -36185 5508.1 -41693 -41693 2.6998 2.1135 0.83517 3.9958e+05 2023-04-07 21:24:30,692 INFO [main.py:643]
{rank 0/100} MD step = 249000 step time: 00:00:00.018103 Performance: 125.951 ns/day 0.191 hours/ns 7.289 steps/s 2023-04-07 21:24:48,471 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 249000 49800 49.519 -36187 5427.3 -41614 -41614 2.7023 2.1162 0.83424 3.9978e+05 2023-04-07 21:24:50,276 INFO [main.py:643]
{rank 0/100} MD step = 249100 step time: 00:00:00.019142 Performance: 125.929 ns/day 0.191 hours/ns 7.288 steps/s 2023-04-07 21:25:20,471 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 249100 49820 50.818 -36087 5569.8 -41657 -41657 2.7063 2.1158 0.83252 3.999e+05 2023-04-07 21:25:22,321 INFO [main.py:643]
{rank 0/100} MD step = 249200 step time: 00:00:00.017926 Performance: 125.861 ns/day 0.191 hours/ns 7.284 steps/s 2023-04-07 21:25:31,096 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 249200 49840 51.028 -36183 5592.7 -41775 -41775 2.7074 2.1167 0.83161 4.0006e+05 2023-04-07 21:25:32,933 INFO [main.py:643]
{rank 0/100} MD step = 249300 step time: 00:00:00.017865 Performance: 125.873 ns/day 0.191 hours/ns 7.284 steps/s 2023-04-07 21:25:34,334 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 249300 49860 49.827 -36183 5461.1 -41644 -41644 2.7081 2.1174 0.83128 4.0021e+05 2023-04-07 21:25:36,226 INFO [main.py:643]
{rank 0/100} MD step = 249400 step time: 00:00:00.018074 Performance: 125.911 ns/day 0.191 hours/ns 7.287 steps/s 2023-04-07 21:26:05,485 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 249400 49880 50.559 -36216 5541.4 -41757 -41757 2.7111 2.1187 0.83188 4.0037e+05 2023-04-07 21:26:07,448 INFO [main.py:643]
{rank 0/100} MD step = 249500 step time: 00:00:00.017876 Performance: 125.847 ns/day 0.191 hours/ns 7.283 steps/s 2023-04-07 21:26:16,181 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 249500 49900 49.979 -36249 5477.8 -41727 -41727 2.7111 2.1191 0.83216 4.0053e+05 2023-04-07 21:26:18,160 INFO [main.py:643]
{rank 0/100} MD step = 249600 step time: 00:00:00.018081 Performance: 125.858 ns/day 0.191 hours/ns 7.283 steps/s 2023-04-07 21:26:35,870 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 249600 49920 50.124 -36279 5493.6 -41772 -41772 2.7136 2.1205 0.83263 4.0068e+05 2023-04-07 21:26:37,745 INFO [main.py:643]
{rank 0/100} MD step = 249700 step time: 00:00:00.017918 Performance: 125.837 ns/day 0.191 hours/ns 7.282 steps/s 2023-04-07 21:26:50,906 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 249700 49940 49.621 -36206 5438.6 -41645 -41645 2.7141 2.1192 0.83142 4.0089e+05 2023-04-07 21:26:52,838 INFO [main.py:643]
{rank 0/100} MD step = 249800 step time: 00:00:00.018011 Performance: 125.832 ns/day 0.191 hours/ns 7.282 steps/s 2023-04-07 21:27:05,547 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 249800 49960 49.737 -36229 5451.3 -41681 -41681 2.7152 2.12 0.83273 4.0102e+05 2023-04-07 21:27:07,437 INFO [main.py:643]
{rank 0/100} MD step = 249900 step time: 00:00:00.017920 Performance: 125.828 ns/day 0.191 hours/ns 7.282 steps/s 2023-04-07 21:27:20,482 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 249900 49980 49.896 -36270 5468.7 -41738 -41738 2.7178 2.1214 0.83268 4.0117e+05 2023-04-07 21:27:22,540 INFO [main.py:643]
{rank 0/100} MD step = 250000 step time: 00:00:00.017920 Performance: 125.823 ns/day 0.191 hours/ns 7.281 steps/s 2023-04-07 21:27:44,158 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 250000 50000 50.066 -36311 5487.3 -41799 -41799 2.7201 2.1207 0.83317 4.0131e+05 2023-04-07 21:27:46,009 INFO [main.py:643]
{rank 0/100} MD step = 250100 step time: 00:00:00.017844 Performance: 125.788 ns/day 0.191 hours/ns 7.279 steps/s 2023-04-07 21:28:16,416 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 250100 50020 49.896 -36234 5468.6 -41702 -41702 2.7226 2.1226 0.83349 4.0148e+05 2023-04-07 21:28:18,299 INFO [main.py:643]
{rank 0/100} MD step = 250200 step time: 00:00:00.017986 Performance: 125.720 ns/day 0.191 hours/ns 7.275 steps/s 2023-04-07 21:28:31,375 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 250200 50040 49.403 -36243 5414.6 -41657 -41657 2.7256 2.1237 0.83486 4.0167e+05 2023-04-07 21:28:33,312 INFO [main.py:643]
{rank 0/100} MD step = 250300 step time: 00:00:00.018080 Performance: 125.715 ns/day 0.191 hours/ns 7.275 steps/s 2023-04-07 21:28:50,851 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 250300 50060 49.187 -36285 5391 -41676 -41676 2.7286 2.1249 0.83537 4.0185e+05 2023-04-07 21:28:52,935 INFO [main.py:643]
{rank 0/100} MD step = 250400 step time: 00:00:00.017927 Performance: 125.694 ns/day 0.191 hours/ns 7.274 steps/s 2023-04-07 21:28:54,251 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 250400 50080 49.599 -36148 5436.1 -41584 -41584 2.731 2.126 0.83661 4.0204e+05 2023-04-07 21:28:56,086 INFO [main.py:643]
{rank 0/100} MD step = 250500 step time: 00:00:00.017972 Performance: 125.732 ns/day 0.191 hours/ns 7.276 steps/s 2023-04-07 21:29:12,299 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 250500 50100 49.89 -36275 5468 -41743 -41743 2.7317 2.1255 0.83643 4.0217e+05 2023-04-07 21:29:14,249 INFO [main.py:643]
{rank 0/100} MD step = 250600 step time: 00:00:00.017897 Performance: 125.716 ns/day 0.191 hours/ns 7.275 steps/s 2023-04-07 21:29:27,417 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 250600 50120 49.906 -36249 5469.8 -41719 -41719 2.7332 2.1266 0.83743 4.0235e+05 2023-04-07 21:29:29,495 INFO [main.py:643]
{rank 0/100} MD step = 250700 step time: 00:00:00.017980 Performance: 125.711 ns/day 0.191 hours/ns 7.275 steps/s 2023-04-07 21:29:47,138 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 250700 50140 49.956 -36188 5475.2 -41663 -41663 2.7352 2.1282 0.8377 4.0251e+05 2023-04-07 21:29:48,988 INFO [main.py:643]
{rank 0/100} MD step = 250800 step time: 00:00:00.017991 Performance: 125.690 ns/day 0.191 hours/ns 7.274 steps/s 2023-04-07 21:30:07,675 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 250800 50160 48.505 -36319 5316.2 -41636 -41636 2.7379 2.1294 0.8398 4.0266e+05 2023-04-07 21:30:09,566 INFO [main.py:643]
{rank 0/100} MD step = 250900 step time: 00:00:00.018285 Performance: 125.665 ns/day 0.191 hours/ns 7.272 steps/s 2023-04-07 21:30:25,426 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 250900 50180 49.318 -36261 5405.3 -41666 -41666 2.7385 2.1302 0.84041 4.0283e+05 2023-04-07 21:30:27,242 INFO [main.py:643]
{rank 0/100} MD step = 251000 step time: 00:00:00.018114 Performance: 125.651 ns/day 0.191 hours/ns 7.271 steps/s 2023-04-07 21:30:35,988 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 251000 50200 50.404 -36241 5524.3 -41765 -41765 2.7399 2.1306 0.84098 4.0299e+05 2023-04-07 21:30:37,926 INFO [main.py:643]
{rank 0/100} MD step = 251100 step time: 00:00:00.018917 Performance: 125.662 ns/day 0.191 hours/ns 7.272 steps/s 2023-04-07 21:30:55,765 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 251100 50220 49.874 -36158 5466.2 -41625 -41625 2.7426 2.1317 0.84132 4.0316e+05 2023-04-07 21:30:57,562 INFO [main.py:643]
{rank 0/100} MD step = 251200 step time: 00:00:00.018017 Performance: 125.641 ns/day 0.191 hours/ns 7.271 steps/s 2023-04-07 21:31:06,105 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 251200 50240 50.35 -36159 5518.5 -41678 -41678 2.7447 2.1351 0.84138 4.033e+05 2023-04-07 21:31:08,024 INFO [main.py:643]
{rank 0/100} MD step = 251300 step time: 00:00:00.017983 Performance: 125.652 ns/day 0.191 hours/ns 7.272 steps/s 2023-04-07 21:31:18,001 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 251300 50260 50.312 -36219 5514.3 -41733 -41733 2.748 2.136 0.8433 4.0348e+05 2023-04-07 21:31:19,843 INFO [main.py:643]
{rank 0/100} MD step = 251400 step time: 00:00:00.018169 Performance: 125.660 ns/day 0.191 hours/ns 7.272 steps/s 2023-04-07 21:31:36,045 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 251400 50280 49.895 -36240 5468.6 -41708 -41708 2.747 2.1368 0.84473 4.0363e+05 2023-04-07 21:31:38,048 INFO [main.py:643]
{rank 0/100} MD step = 251500 step time: 00:00:00.018074 Performance: 125.643 ns/day 0.191 hours/ns 7.271 steps/s 2023-04-07 21:31:47,288 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 251500 50300 50.513 -36190 5536.3 -41726 -41726 2.7477 2.1373 0.84583 4.0379e+05 2023-04-07 21:31:49,293 INFO [main.py:643]
{rank 0/100} MD step = 251600 step time: 00:00:00.017945 Performance: 125.652 ns/day 0.191 hours/ns 7.272 steps/s 2023-04-07 21:31:50,498 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 251600 50320 50.583 -36207 5544 -41751 -41751 2.7495 2.137 0.84555 4.0395e+05 2023-04-07 21:31:52,401 INFO [main.py:643]
{rank 0/100} MD step = 251700 step time: 00:00:00.018041 Performance: 125.691 ns/day 0.191 hours/ns 7.274 steps/s 2023-04-07 21:32:08,168 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 251700 50340 49.972 -36290 5477 -41767 -41767 2.7506 2.1373 0.84561 4.0412e+05 2023-04-07 21:32:10,103 INFO [main.py:643]
{rank 0/100} MD step = 251800 step time: 00:00:00.017948 Performance: 125.677 ns/day 0.191 hours/ns 7.273 steps/s 2023-04-07 21:32:15,248 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 251800 50360 49.682 -36113 5445.2 -41559 -41559 2.7524 2.1398 0.8442 4.0432e+05 2023-04-07 21:32:17,128 INFO [main.py:643]
{rank 0/100} MD step = 251900 step time: 00:00:00.018026 Performance: 125.701 ns/day 0.191 hours/ns 7.274 steps/s 2023-04-07 21:32:29,857 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 251900 50380 50.329 -36183 5516.2 -41699 -41699 2.7528 2.1392 0.84576 4.0443e+05 2023-04-07 21:32:31,699 INFO [main.py:643]
{rank 0/100} MD step = 252000 step time: 00:00:00.017808 Performance: 125.698 ns/day 0.191 hours/ns 7.274 steps/s 2023-04-07 21:32:45,569 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 252000 50400 50.327 -36172 5515.9 -41688 -41688 2.7558 2.1399 0.84784 4.046e+05 2023-04-07 21:32:47,432 INFO [main.py:643]
{rank 0/100} MD step = 252100 step time: 00:00:00.018002 Performance: 125.691 ns/day 0.191 hours/ns 7.274 steps/s 2023-04-07 21:32:55,528 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 252100 50420 49.473 -36232 5422.3 -41654 -41654 2.76 2.1412 0.84832 4.0478e+05 2023-04-07 21:32:57,422 INFO [main.py:643]
{rank 0/100} MD step = 252200 step time: 00:00:00.017965 Performance: 125.705 ns/day 0.191 hours/ns 7.275 steps/s 2023-04-07 21:33:10,947 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 252200 50440 49.475 -36206 5422.5 -41628 -41628 2.761 2.1434 0.84883 4.0495e+05 2023-04-07 21:33:12,779 INFO [main.py:643]
{rank 0/100} MD step = 252300 step time: 00:00:00.018079 Performance: 125.699 ns/day 0.191 hours/ns 7.274 steps/s 2023-04-07 21:33:25,918 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 252300 50460 49.211 -36292 5393.6 -41685 -41685 2.7627 2.1429 0.85035 4.0509e+05 2023-04-07 21:33:31,947 INFO [main.py:643]
{rank 0/100} MD step = 252400 step time: 00:00:00.018048 Performance: 125.679 ns/day 0.191 hours/ns 7.273 steps/s 2023-04-07 21:33:41,074 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 252400 50480 50.154 -36146 5496.9 -41643 -41643 2.7643 2.1449 0.8499 4.0526e+05 2023-04-07 21:33:42,965 INFO [main.py:643]
{rank 0/100} MD step = 252500 step time: 00:00:00.017965 Performance: 125.689 ns/day 0.191 hours/ns 7.274 steps/s 2023-04-07 21:33:47,074 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 252500 50500 49.87 -36186 5465.8 -41652 -41652 2.7662 2.1463 0.85036 4.0542e+05 2023-04-07 21:33:48,917 INFO [main.py:643]
{rank 0/100} MD step = 252600 step time: 00:00:00.017884 Performance: 125.717 ns/day 0.191 hours/ns 7.275 steps/s 2023-04-07 21:33:57,862 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 252600 50520 50.742 -36203 5561.4 -41765 -41765 2.7678 2.1481 0.85098 4.0555e+05 2023-04-07 21:34:03,652 INFO [main.py:643]
{rank 0/100} MD step = 252700 step time: 00:00:00.017881 Performance: 125.714 ns/day 0.191 hours/ns 7.275 steps/s 2023-04-07 21:34:17,235 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 252700 50540 49.806 -36226 5458.8 -41685 -41685 2.7688 2.1484 0.851 4.0571e+05 2023-04-07 21:34:19,077 INFO [main.py:643]
{rank 0/100} MD step = 252800 step time: 00:00:00.018032 Performance: 125.708 ns/day 0.191 hours/ns 7.275 steps/s 2023-04-07 21:34:28,244 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 252800 50560 49.415 -36235 5415.9 -41651 -41651 2.7719 2.1486 0.8526 4.0586e+05 2023-04-07 21:34:30,189 INFO [main.py:643]
{rank 0/100} MD step = 252900 step time: 00:00:00.018062 Performance: 125.717 ns/day 0.191 hours/ns 7.275 steps/s 2023-04-07 21:34:31,238 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 252900 50580 50.857 -36158 5574 -41732 -41732 2.7729 2.1487 0.85378 4.0598e+05 2023-04-07 21:34:33,182 INFO [main.py:643]
{rank 0/100} MD step = 253000 step time: 00:00:00.018167 Performance: 125.756 ns/day 0.191 hours/ns 7.278 steps/s 2023-04-07 21:34:40,849 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 253000 50600 50.11 -36118 5492.2 -41611 -41611 2.7744 2.1491 0.85193 4.0615e+05 2023-04-07 21:34:42,702 INFO [main.py:643]
{rank 0/100} MD step = 253100 step time: 00:00:00.017938 Performance: 125.771 ns/day 0.191 hours/ns 7.278 steps/s 2023-04-07 21:34:47,905 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 253100 50620 49.54 -36354 5429.6 -41783 -41783 2.7789 2.1496 0.85385 4.0629e+05 2023-04-07 21:34:49,769 INFO [main.py:643]
{rank 0/100} MD step = 253200 step time: 00:00:00.018342 Performance: 125.795 ns/day 0.191 hours/ns 7.280 steps/s 2023-04-07 21:34:54,057 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 253200 50640 48.773 -36365 5345.6 -41710 -41710 2.7801 2.1504 0.85353 4.0647e+05 2023-04-07 21:34:55,961 INFO [main.py:643]
{rank 0/100} MD step = 253300 step time: 00:00:00.017996 Performance: 125.823 ns/day 0.191 hours/ns 7.281 steps/s 2023-04-07 21:35:04,208 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 253300 50660 49.776 -36310 5455.5 -41766 -41766 2.782 2.1485 0.8534 4.0663e+05 2023-04-07 21:35:06,125 INFO [main.py:643]
{rank 0/100} MD step = 253400 step time: 00:00:00.017989 Performance: 125.836 ns/day 0.191 hours/ns 7.282 steps/s 2023-04-07 21:35:11,263 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 253400 50680 50.851 -36192 5573.4 -41765 -41765 2.7809 2.1496 0.85325 4.0679e+05 2023-04-07 21:35:13,072 INFO [main.py:643]
{rank 0/100} MD step = 253500 step time: 00:00:00.017898 Performance: 125.860 ns/day 0.191 hours/ns 7.284 steps/s 2023-04-07 21:35:17,490 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 253500 50700 50.256 -36156 5508.1 -41664 -41664 2.7828 2.1495 0.85428 4.0694e+05 2023-04-07 21:35:19,776 INFO [main.py:643]
{rank 0/100} MD step = 253600 step time: 00:00:00.018027 Performance: 125.885 ns/day 0.191 hours/ns 7.285 steps/s 2023-04-07 21:35:24,260 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 253600 50720 49.907 -36167 5469.9 -41636 -41636 2.7853 2.1491 0.85348 4.071e+05 2023-04-07 21:35:26,168 INFO [main.py:643]
{rank 0/100} MD step = 253700 step time: 00:00:00.017956 Performance: 125.912 ns/day 0.191 hours/ns 7.287 steps/s 2023-04-07 21:35:52,106 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 253700 50740 50.173 -36203 5499 -41702 -41702 2.7871 2.1495 0.85491 4.0725e+05 2023-04-07 21:35:53,946 INFO [main.py:643]
{rank 0/100} MD step = 253800 step time: 00:00:00.017790 Performance: 125.861 ns/day 0.191 hours/ns 7.284 steps/s 2023-04-07 21:36:08,418 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 253800 50760 49.682 -36331 5445.2 -41776 -41776 2.7892 2.1495 0.85376 4.0739e+05 2023-04-07 21:36:10,235 INFO [main.py:643]
{rank 0/100} MD step = 253900 step time: 00:00:00.018064 Performance: 125.852 ns/day 0.191 hours/ns 7.283 steps/s 2023-04-07 21:36:17,713 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 253900 50780 49.869 -36328 5465.7 -41794 -41794 2.7859 2.1492 0.85363 4.0756e+05 2023-04-07 21:36:19,739 INFO [main.py:643]
{rank 0/100} MD step = 254000 step time: 00:00:00.018006 Performance: 125.867 ns/day 0.191 hours/ns 7.284 steps/s 2023-04-07 21:36:28,081 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 254000 50800 50.074 -36120 5488.1 -41608 -41608 2.7871 2.151 0.85327 4.0774e+05 2023-04-07 21:36:29,982 INFO [main.py:643]
{rank 0/100} MD step = 254100 step time: 00:00:00.018003 Performance: 125.880 ns/day 0.191 hours/ns 7.285 steps/s 2023-04-07 21:36:38,876 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 254100 50820 49.796 -36205 5457.7 -41662 -41662 2.7882 2.1518 0.85391 4.0789e+05 2023-04-07 21:36:41,176 INFO [main.py:643]
{rank 0/100} MD step = 254200 step time: 00:00:00.018034 Performance: 125.889 ns/day 0.191 hours/ns 7.285 steps/s 2023-04-07 21:36:46,115 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 254200 50840 50.608 -36147 5546.7 -41694 -41694 2.7907 2.1541 0.85441 4.0804e+05 2023-04-07 21:36:47,939 INFO [main.py:643]
{rank 0/100} MD step = 254300 step time: 00:00:00.018174 Performance: 125.914 ns/day 0.191 hours/ns 7.287 steps/s 2023-04-07 21:36:51,893 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 254300 50860 50.168 -36165 5498.5 -41664 -41664 2.796 2.1537 0.85281 4.082e+05 2023-04-07 21:36:54,148 INFO [main.py:643]
{rank 0/100} MD step = 254400 step time: 00:00:00.018212 Performance: 125.941 ns/day 0.191 hours/ns 7.288 steps/s 2023-04-07 21:36:56,434 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 254400 50880 49.902 -36182 5469.4 -41651 -41651 2.7963 2.1541 0.85376 4.0837e+05 2023-04-07 21:36:58,519 INFO [main.py:643]
{rank 0/100} MD step = 254500 step time: 00:00:00.018019 Performance: 125.975 ns/day 0.191 hours/ns 7.290 steps/s 2023-04-07 21:37:04,050 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 254500 50900 49.725 -36254 5449.9 -41703 -41703 2.798 2.1551 0.85369 4.0853e+05 2023-04-07 21:37:05,867 INFO [main.py:643]
{rank 0/100} MD step = 254600 step time: 00:00:00.018205 Performance: 125.998 ns/day 0.190 hours/ns 7.292 steps/s 2023-04-07 21:37:13,607 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 254600 50920 50.448 -36221 5529.1 -41750 -41750 2.7996 2.1552 0.85342 4.0869e+05 2023-04-07 21:37:15,591 INFO [main.py:643]
{rank 0/100} MD step = 254700 step time: 00:00:00.018112 Performance: 126.012 ns/day 0.190 hours/ns 7.292 steps/s 2023-04-07 21:37:26,405 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 254700 50940 50.288 -36142 5511.6 -41653 -41653 2.7986 2.1563 0.85249 4.0883e+05 2023-04-07 21:37:28,580 INFO [main.py:643]
{rank 0/100} MD step = 254800 step time: 00:00:00.017983 Performance: 126.015 ns/day 0.190 hours/ns 7.293 steps/s 2023-04-07 21:37:38,909 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 254800 50960 50.054 -36184 5486 -41670 -41670 2.8012 2.1585 0.85302 4.09e+05 2023-04-07 21:37:40,800 INFO [main.py:643]
{rank 0/100} MD step = 254900 step time: 00:00:00.017816 Performance: 126.020 ns/day 0.190 hours/ns 7.293 steps/s 2023-04-07 21:37:49,984 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 254900 50980 50.606 -36122 5546.5 -41669 -41669 2.804 2.1583 0.85342 4.0915e+05 2023-04-07 21:37:51,873 INFO [main.py:643]
{rank 0/100} MD step = 255000 step time: 00:00:00.017982 Performance: 126.030 ns/day 0.190 hours/ns 7.293 steps/s 2023-04-07 21:37:53,074 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 255000 51000 49.871 -36270 5465.9 -41736 -41736 2.8077 2.1586 0.8526 4.093e+05 2023-04-07 21:37:54,885 INFO [main.py:643]
{rank 0/100} MD step = 255100 step time: 00:00:00.018076 Performance: 126.068 ns/day 0.190 hours/ns 7.296 steps/s 2023-04-07 21:38:01,097 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 255100 51020 49.618 -36211 5438.2 -41649 -41649 2.8099 2.1601 0.85102 4.0946e+05 2023-04-07 21:38:03,190 INFO [main.py:643]
{rank 0/100} MD step = 255200 step time: 00:00:00.019492 Performance: 126.088 ns/day 0.190 hours/ns 7.297 steps/s 2023-04-07 21:38:07,739 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 255200 51040 49.79 -36209 5457.1 -41666 -41666 2.8099 2.162 0.85119 4.0964e+05 2023-04-07 21:38:09,692 INFO [main.py:643]
{rank 0/100} MD step = 255300 step time: 00:00:00.018106 Performance: 126.114 ns/day 0.190 hours/ns 7.298 steps/s 2023-04-07 21:38:11,165 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 255300 51060 49.933 -36220 5472.7 -41693 -41693 2.8113 2.1613 0.85119 4.0982e+05 2023-04-07 21:38:13,004 INFO [main.py:643]
{rank 0/100} MD step = 255400 step time: 00:00:00.018014 Performance: 126.151 ns/day 0.190 hours/ns 7.300 steps/s 2023-04-07 21:38:14,564 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 255400 51080 50.051 -36285 5485.6 -41771 -41771 2.8146 2.1615 0.85066 4.0993e+05 2023-04-07 21:38:16,454 INFO [main.py:643]
{rank 0/100} MD step = 255500 step time: 00:00:00.018070 Performance: 126.188 ns/day 0.190 hours/ns 7.303 steps/s 2023-04-07 21:38:17,642 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 255500 51100 50.509 -36071 5535.8 -41607 -41607 2.816 2.1604 0.85169 4.1013e+05 2023-04-07 21:38:19,503 INFO [main.py:643]
{rank 0/100} MD step = 255600 step time: 00:00:00.018003 Performance: 126.227 ns/day 0.190 hours/ns 7.305 steps/s 2023-04-07 21:38:28,326 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 255600 51120 50.361 -36022 5519.6 -41542 -41542 2.8179 2.1614 0.85233 4.103e+05 2023-04-07 21:38:30,298 INFO [main.py:643]
{rank 0/100} MD step = 255700 step time: 00:00:00.018012 Performance: 126.237 ns/day 0.190 hours/ns 7.305 steps/s 2023-04-07 21:38:31,417 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 255700 51140 49.911 -36352 5470.3 -41823 -41823 2.8213 2.1601 0.85238 4.1041e+05 2023-04-07 21:38:33,372 INFO [main.py:643]
{rank 0/100} MD step = 255800 step time: 00:00:00.018250 Performance: 126.275 ns/day 0.190 hours/ns 7.308 steps/s 2023-04-07 21:38:34,595 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 255800 51160 50.154 -36158 5496.9 -41655 -41655 2.8244 2.1605 0.8521 4.1063e+05 2023-04-07 21:38:36,471 INFO [main.py:643]
{rank 0/100} MD step = 255900 step time: 00:00:00.018014 Performance: 126.313 ns/day 0.190 hours/ns 7.310 steps/s 2023-04-07 21:38:41,836 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 255900 51180 50.473 -36159 5531.9 -41691 -41691 2.8274 2.162 0.85312 4.1077e+05 2023-04-07 21:38:43,657 INFO [main.py:643]
{rank 0/100} MD step = 256000 step time: 00:00:00.018092 Performance: 126.337 ns/day 0.190 hours/ns 7.311 steps/s 2023-04-07 21:38:52,200 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 256000 51200 49.606 -36253 5436.8 -41690 -41690 2.8278 2.1611 0.8538 4.1092e+05 2023-04-07 21:38:53,986 INFO [main.py:643]
{rank 0/100} MD step = 256100 step time: 00:00:00.018060 Performance: 126.349 ns/day 0.190 hours/ns 7.312 steps/s 2023-04-07 21:38:54,720 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 256100 51220 50.262 -36196 5508.8 -41705 -41705 2.825 2.1625 0.85292 4.1107e+05 2023-04-07 21:39:08,788 INFO [main.py:643]
{rank 0/100} MD step = 256200 step time: 00:00:00.017936 Performance: 126.345 ns/day 0.190 hours/ns 7.312 steps/s 2023-04-07 21:39:16,525 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 256200 51240 49.804 -36342 5458.5 -41801 -41801 2.8257 2.1639 0.85315 4.1123e+05 2023-04-07 21:39:18,331 INFO [main.py:643]
{rank 0/100} MD step = 256300 step time: 00:00:00.017925 Performance: 126.360 ns/day 0.190 hours/ns 7.312 steps/s 2023-04-07 21:39:22,222 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 256300 51260 50.714 -36071 5558.3 -41630 -41630 2.8267 2.1635 0.85218 4.1145e+05 2023-04-07 21:39:24,058 INFO [main.py:643]
{rank 0/100} MD step = 256400 step time: 00:00:00.018049 Performance: 126.388 ns/day 0.190 hours/ns 7.314 steps/s 2023-04-07 21:39:25,240 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 256400 51280 50.031 -36253 5483.5 -41736 -41736 2.8286 2.164 0.85359 4.1157e+05 2023-04-07 21:39:27,147 INFO [main.py:643]
{rank 0/100} MD step = 256500 step time: 00:00:00.018030 Performance: 126.427 ns/day 0.190 hours/ns 7.316 steps/s 2023-04-07 21:39:30,856 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 256500 51300 50.146 -36126 5496.1 -41622 -41622 2.8301 2.163 0.85466 4.1175e+05 2023-04-07 21:39:36,940 INFO [main.py:643]
{rank 0/100} MD step = 256600 step time: 00:00:00.018049 Performance: 126.441 ns/day 0.190 hours/ns 7.317 steps/s 2023-04-07 21:39:46,404 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 256600 51320 50.662 -36086 5552.6 -41638 -41638 2.831 2.1645 0.8551 4.1188e+05 2023-04-07 21:39:48,379 INFO [main.py:643]
{rank 0/100} MD step = 256700 step time: 00:00:00.018114 Performance: 126.449 ns/day 0.190 hours/ns 7.318 steps/s 2023-04-07 21:39:56,573 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 256700 51340 49.653 -36237 5442 -41679 -41679 2.8378 2.166 0.85498 4.1205e+05 2023-04-07 21:39:58,400 INFO [main.py:643]
{rank 0/100} MD step = 256800 step time: 00:00:00.017880 Performance: 126.462 ns/day 0.190 hours/ns 7.318 steps/s 2023-04-07 21:40:07,224 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 256800 51360 50.092 -36282 5490.2 -41772 -41772 2.8383 2.1672 0.85479 4.122e+05 2023-04-07 21:40:09,127 INFO [main.py:643]
{rank 0/100} MD step = 256900 step time: 00:00:00.018263 Performance: 126.472 ns/day 0.190 hours/ns 7.319 steps/s 2023-04-07 21:40:17,835 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 256900 51380 49.381 -36253 5412.2 -41665 -41665 2.839 2.1679 0.85479 4.1235e+05 2023-04-07 21:40:19,888 INFO [main.py:643]
{rank 0/100} MD step = 257000 step time: 00:00:00.018061 Performance: 126.483 ns/day 0.190 hours/ns 7.320 steps/s 2023-04-07 21:40:41,420 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 257000 51400 49.548 -36229 5430.6 -41660 -41660 2.8427 2.1692 0.85656 4.1252e+05 2023-04-07 21:40:43,223 INFO [main.py:643]
{rank 0/100} MD step = 257100 step time: 00:00:00.017918 Performance: 126.448 ns/day 0.190 hours/ns 7.318 steps/s 2023-04-07 21:40:44,433 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 257100 51420 49.548 -36248 5430.5 -41678 -41678 2.8453 2.1699 0.85741 4.1268e+05 2023-04-07 21:40:46,264 INFO [main.py:643]
{rank 0/100} MD step = 257200 step time: 00:00:00.017747 Performance: 126.486 ns/day 0.190 hours/ns 7.320 steps/s 2023-04-07 21:40:54,969 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 257200 51440 49.688 -36269 5445.9 -41714 -41714 2.8452 2.1703 0.85791 4.1286e+05 2023-04-07 21:40:56,894 INFO [main.py:643]
{rank 0/100} MD step = 257300 step time: 00:00:00.017905 Performance: 126.497 ns/day 0.190 hours/ns 7.320 steps/s 2023-04-07 21:41:06,084 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 257300 51460 49.901 -36189 5469.2 -41658 -41658 2.8464 2.1706 0.85666 4.1303e+05 2023-04-07 21:41:08,239 INFO [main.py:643]
{rank 0/100} MD step = 257400 step time: 00:00:00.019832 Performance: 126.505 ns/day 0.190 hours/ns 7.321 steps/s 2023-04-07 21:41:12,054 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 257400 51480 49.483 -36199 5423.4 -41622 -41622 2.8495 2.1719 0.85649 4.132e+05 2023-04-07 21:41:13,913 INFO [main.py:643]
{rank 0/100} MD step = 257500 step time: 00:00:00.017875 Performance: 126.534 ns/day 0.190 hours/ns 7.323 steps/s 2023-04-07 21:41:18,211 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 257500 51500 49.71 -36188 5448.2 -41636 -41636 2.851 2.1723 0.85728 4.1335e+05 2023-04-07 21:41:20,090 INFO [main.py:643]
{rank 0/100} MD step = 257600 step time: 00:00:00.017961 Performance: 126.561 ns/day 0.190 hours/ns 7.324 steps/s 2023-04-07 21:41:29,224 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 257600 51520 50.016 -36227 5481.8 -41709 -41709 2.8525 2.1731 0.85821 4.135e+05 2023-04-07 21:41:31,039 INFO [main.py:643]
{rank 0/100} MD step = 257700 step time: 00:00:00.018007 Performance: 126.571 ns/day 0.190 hours/ns 7.325 steps/s 2023-04-07 21:41:43,766 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 257700 51540 50.27 -36187 5509.7 -41697 -41697 2.8564 2.1729 0.85952 4.1365e+05 2023-04-07 21:41:49,823 INFO [main.py:643]
{rank 0/100} MD step = 257800 step time: 00:00:00.017889 Performance: 126.552 ns/day 0.190 hours/ns 7.324 steps/s 2023-04-07 21:41:56,896 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 257800 51560 50.176 -36178 5499.4 -41677 -41677 2.8577 2.1748 0.85891 4.138e+05 2023-04-07 21:41:58,727 INFO [main.py:643]
{rank 0/100} MD step = 257900 step time: 00:00:00.018093 Performance: 126.569 ns/day 0.190 hours/ns 7.325 steps/s 2023-04-07 21:42:20,498 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 257900 51580 49.588 -36382 5435 -41817 -41817 2.8579 2.1756 0.85875 4.1394e+05 2023-04-07 21:42:22,334 INFO [main.py:643]
{rank 0/100} MD step = 258000 step time: 00:00:00.018115 Performance: 126.534 ns/day 0.190 hours/ns 7.323 steps/s 2023-04-07 21:42:27,116 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 258000 51600 49.999 -36078 5480 -41558 -41558 2.8631 2.1759 0.86058 4.1412e+05 2023-04-07 21:42:28,972 INFO [main.py:643]
{rank 0/100} MD step = 258100 step time: 00:00:00.017881 Performance: 126.559 ns/day 0.190 hours/ns 7.324 steps/s 2023-04-07 21:42:46,276 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 258100 51620 50.751 -36124 5562.4 -41686 -41686 2.8621 2.177 0.86149 4.1426e+05 2023-04-07 21:42:51,995 INFO [main.py:643]
{rank 0/100} MD step = 258200 step time: 00:00:00.018024 Performance: 126.525 ns/day 0.190 hours/ns 7.322 steps/s 2023-04-07 21:43:01,756 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 258200 51640 50.632 -36171 5549.4 -41721 -41721 2.8628 2.1784 0.86185 4.1441e+05 2023-04-07 21:43:03,731 INFO [main.py:643]
{rank 0/100} MD step = 258300 step time: 00:00:00.017930 Performance: 126.532 ns/day 0.190 hours/ns 7.322 steps/s 2023-04-07 21:43:04,934 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 258300 51660 49.505 -36298 5425.9 -41724 -41724 2.8634 2.1792 0.86294 4.1459e+05 2023-04-07 21:43:06,856 INFO [main.py:643]
{rank 0/100} MD step = 258400 step time: 00:00:00.017929 Performance: 126.570 ns/day 0.190 hours/ns 7.325 steps/s 2023-04-07 21:43:18,840 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 258400 51680 51.479 -35994 5642.2 -41636 -41636 2.8666 2.1791 0.86308 4.148e+05 2023-04-07 21:43:20,711 INFO [main.py:643]
{rank 0/100} MD step = 258500 step time: 00:00:00.019700 Performance: 126.569 ns/day 0.190 hours/ns 7.325 steps/s 2023-04-07 21:43:33,380 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 258500 51700 50.128 -36148 5494.1 -41642 -41642 2.8705 2.181 0.86163 4.1492e+05 2023-04-07 21:43:35,474 INFO [main.py:643]
{rank 0/100} MD step = 258600 step time: 00:00:00.018087 Performance: 126.565 ns/day 0.190 hours/ns 7.324 steps/s 2023-04-07 21:43:52,769 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 258600 51720 49.7 -36303 5447.2 -41750 -41750 2.8734 2.1819 0.86146 4.1509e+05 2023-04-07 21:43:54,627 INFO [main.py:643]
{rank 0/100} MD step = 258700 step time: 00:00:00.018028 Performance: 126.546 ns/day 0.190 hours/ns 7.323 steps/s 2023-04-07 21:44:08,319 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 258700 51740 49.777 -36091 5455.6 -41546 -41546 2.8749 2.1821 0.86186 4.1528e+05 2023-04-07 21:44:10,243 INFO [main.py:643]
{rank 0/100} MD step = 258800 step time: 00:00:00.018025 Performance: 126.538 ns/day 0.190 hours/ns 7.323 steps/s 2023-04-07 21:44:11,626 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 258800 51760 49.56 -36256 5431.8 -41688 -41688 2.8773 2.183 0.86144 4.1542e+05 2023-04-07 21:44:13,450 INFO [main.py:643]
{rank 0/100} MD step = 258900 step time: 00:00:00.017856 Performance: 126.576 ns/day 0.190 hours/ns 7.325 steps/s 2023-04-07 21:44:16,694 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 258900 51780 49.913 -36296 5470.5 -41767 -41767 2.8794 2.1845 0.86077 4.1557e+05 2023-04-07 21:44:18,632 INFO [main.py:643]
{rank 0/100} MD step = 259000 step time: 00:00:00.018217 Performance: 126.606 ns/day 0.190 hours/ns 7.327 steps/s 2023-04-07 21:44:40,471 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 259000 51800 49.899 -36281 5469 -41750 -41750 2.8818 2.1861 0.86165 4.1572e+05 2023-04-07 21:44:42,347 INFO [main.py:643]
{rank 0/100} MD step = 259100 step time: 00:00:00.018087 Performance: 126.570 ns/day 0.190 hours/ns 7.325 steps/s 2023-04-07 21:44:46,415 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 259100 51820 50.271 -36236 5509.7 -41745 -41745 2.8841 2.1883 0.86344 4.159e+05 2023-04-07 21:44:48,353 INFO [main.py:643]
{rank 0/100} MD step = 259200 step time: 00:00:00.017992 Performance: 126.598 ns/day 0.190 hours/ns 7.326 steps/s 2023-04-07 21:44:49,588 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 259200 51840 49.615 -36142 5437.9 -41580 -41580 2.8879 2.1885 0.86466 4.1609e+05 2023-04-07 21:44:51,416 INFO [main.py:643]
{rank 0/100} MD step = 259300 step time: 00:00:00.018058 Performance: 126.635 ns/day 0.190 hours/ns 7.328 steps/s 2023-04-07 21:45:12,123 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 259300 51860 49.251 -36305 5397.9 -41703 -41703 2.8902 2.1887 0.86536 4.1622e+05 2023-04-07 21:45:14,122 INFO [main.py:643]
{rank 0/100} MD step = 259400 step time: 00:00:00.017994 Performance: 126.603 ns/day 0.190 hours/ns 7.327 steps/s 2023-04-07 21:45:18,579 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 259400 51880 50.502 -35998 5535.1 -41533 -41533 2.8929 2.1889 0.86557 4.164e+05 2023-04-07 21:45:20,912 INFO [main.py:643]
{rank 0/100} MD step = 259500 step time: 00:00:00.017986 Performance: 126.628 ns/day 0.190 hours/ns 7.328 steps/s 2023-04-07 21:45:29,642 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 259500 51900 50.28 -36094 5510.7 -41605 -41605 2.8957 2.1897 0.86693 4.1656e+05 2023-04-07 21:45:31,475 INFO [main.py:643]
{rank 0/100} MD step = 259600 step time: 00:00:00.018525 Performance: 126.639 ns/day 0.190 hours/ns 7.329 steps/s 2023-04-07 21:45:32,209 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 259600 51920 50.403 -36243 5524.3 -41767 -41767 2.8974 2.1902 0.86791 4.1672e+05 2023-04-07 21:45:38,116 INFO [main.py:643]
{rank 0/100} MD step = 259700 step time: 00:00:00.018068 Performance: 126.664 ns/day 0.189 hours/ns 7.330 steps/s 2023-04-07 21:45:46,677 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 259700 51940 49.592 -36282 5435.4 -41717 -41717 2.8992 2.1917 0.86719 4.169e+05 2023-04-07 21:45:48,572 INFO [main.py:643]
{rank 0/100} MD step = 259800 step time: 00:00:00.018081 Performance: 126.675 ns/day 0.189 hours/ns 7.331 steps/s 2023-04-07 21:46:10,167 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 259800 51960 50.163 -36239 5498 -41737 -41737 2.9032 2.1933 0.86752 4.1702e+05 2023-04-07 21:46:11,975 INFO [main.py:643]
{rank 0/100} MD step = 259900 step time: 00:00:00.018431 Performance: 126.640 ns/day 0.190 hours/ns 7.329 steps/s 2023-04-07 21:46:20,926 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 259900 51980 49.761 -36224 5453.9 -41678 -41678 2.9015 2.194 0.86757 4.172e+05 2023-04-07 21:46:22,829 INFO [main.py:643]
{rank 0/100} MD step = 260000 step time: 00:00:00.018071 Performance: 126.650 ns/day 0.189 hours/ns 7.329 steps/s 2023-04-07 21:46:27,326 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 260000 52000 50.025 -36139 5482.8 -41622 -41622 2.903 2.1943 0.86859 4.1736e+05 2023-04-07 21:46:33,593 INFO [main.py:643]
{rank 0/100} MD step = 260100 step time: 00:00:00.018152 Performance: 126.660 ns/day 0.189 hours/ns 7.330 steps/s 2023-04-07 21:46:59,309 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 260100 52020 49.652 -36341 5441.9 -41783 -41783 2.9047 2.1934 0.86896 4.1751e+05 2023-04-07 21:47:01,149 INFO [main.py:643]
{rank 0/100} MD step = 260200 step time: 00:00:00.018085 Performance: 126.611 ns/day 0.190 hours/ns 7.327 steps/s 2023-04-07 21:47:21,557 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 260200 52040 49.934 -36229 5472.9 -41702 -41702 2.9069 2.1961 0.86781 4.1766e+05 2023-04-07 21:47:23,418 INFO [main.py:643]
{rank 0/100} MD step = 260300 step time: 00:00:00.018089 Performance: 126.580 ns/day 0.190 hours/ns 7.325 steps/s 2023-04-07 21:47:31,557 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 260300 52060 49.332 -36221 5406.9 -41628 -41628 2.9094 2.1943 0.86814 4.1784e+05 2023-04-07 21:47:33,525 INFO [main.py:643]
{rank 0/100} MD step = 260400 step time: 00:00:00.017694 Performance: 126.593 ns/day 0.190 hours/ns 7.326 steps/s 2023-04-07 21:47:50,966 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 260400 52080 49.329 -36264 5406.5 -41671 -41671 2.9111 2.1939 0.86814 4.1801e+05 2023-04-07 21:47:53,028 INFO [main.py:643]
{rank 0/100} MD step = 260500 step time: 00:00:00.018122 Performance: 126.572 ns/day 0.190 hours/ns 7.325 steps/s 2023-04-07 21:48:10,384 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 260500 52100 49.47 -36212 5421.9 -41634 -41634 2.9124 2.1943 0.86938 4.1822e+05 2023-04-07 21:48:12,572 INFO [main.py:643]
{rank 0/100} MD step = 260600 step time: 00:00:00.018015 Performance: 126.551 ns/day 0.190 hours/ns 7.324 steps/s 2023-04-07 21:48:25,744 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 260600 52120 50.875 -36198 5576 -41774 -41774 2.9139 2.1962 0.87193 4.1837e+05 2023-04-07 21:48:27,560 INFO [main.py:643]
{rank 0/100} MD step = 260700 step time: 00:00:00.017915 Performance: 126.546 ns/day 0.190 hours/ns 7.323 steps/s 2023-04-07 21:48:32,531 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 260700 52140 50.566 -36149 5542.1 -41692 -41692 2.9155 2.1974 0.87207 4.1855e+05 2023-04-07 21:48:34,445 INFO [main.py:643]
{rank 0/100} MD step = 260800 step time: 00:00:00.017969 Performance: 126.570 ns/day 0.190 hours/ns 7.325 steps/s 2023-04-07 21:48:46,834 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 260800 52160 50.07 -36202 5487.8 -41690 -41690 2.9148 2.1988 0.87173 4.1872e+05 2023-04-07 21:48:52,915 INFO [main.py:643]
{rank 0/100} MD step = 260900 step time: 00:00:00.018063 Performance: 126.553 ns/day 0.190 hours/ns 7.324 steps/s 2023-04-07 21:49:02,294 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 260900 52180 49.769 -36223 5454.7 -41677 -41677 2.916 2.1992 0.87033 4.1891e+05 2023-04-07 21:49:04,108 INFO [main.py:643]
{rank 0/100} MD step = 261000 step time: 00:00:00.018142 Performance: 126.562 ns/day 0.190 hours/ns 7.324 steps/s 2023-04-07 21:49:34,226 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 261000 52200 50.652 -36133 5551.6 -41685 -41685 2.9184 2.2004 0.87026 4.1908e+05 2023-04-07 21:49:36,075 INFO [main.py:643]
{rank 0/100} MD step = 261100 step time: 00:00:00.017925 Performance: 126.497 ns/day 0.190 hours/ns 7.320 steps/s 2023-04-07 21:49:45,333 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 261100 52220 50.21 -36123 5503.1 -41626 -41626 2.9202 2.2015 0.87102 4.1922e+05 2023-04-07 21:49:47,321 INFO [main.py:643]
{rank 0/100} MD step = 261200 step time: 00:00:00.018172 Performance: 126.505 ns/day 0.190 hours/ns 7.321 steps/s 2023-04-07 21:49:55,964 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 261200 52240 49.774 -36166 5455.2 -41621 -41621 2.9231 2.2036 0.86931 4.1939e+05 2023-04-07 21:49:57,858 INFO [main.py:643]
{rank 0/100} MD step = 261300 step time: 00:00:00.028483 Performance: 126.516 ns/day 0.190 hours/ns 7.322 steps/s 2023-04-07 21:50:17,507 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 261300 52260 49.932 -36144 5472.6 -41617 -41617 2.9253 2.2042 0.8682 4.1955e+05 2023-04-07 21:50:19,400 INFO [main.py:643]
{rank 0/100} MD step = 261400 step time: 00:00:00.017922 Performance: 126.489 ns/day 0.190 hours/ns 7.320 steps/s 2023-04-07 21:50:24,099 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 261400 52280 50.066 -36183 5487.3 -41670 -41670 2.9288 2.2042 0.86866 4.197e+05 2023-04-07 21:50:26,057 INFO [main.py:643]
{rank 0/100} MD step = 261500 step time: 00:00:00.018252 Performance: 126.513 ns/day 0.190 hours/ns 7.321 steps/s 2023-04-07 21:50:40,868 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 261500 52300 49.401 -36359 5414.4 -41773 -41773 2.9274 2.2052 0.87029 4.1983e+05 2023-04-07 21:50:42,682 INFO [main.py:643]
{rank 0/100} MD step = 261600 step time: 00:00:00.017992 Performance: 126.503 ns/day 0.190 hours/ns 7.321 steps/s 2023-04-07 21:50:47,639 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 261600 52320 50.566 -36202 5542.1 -41744 -41744 2.9283 2.2069 0.87003 4.1999e+05 2023-04-07 21:50:49,645 INFO [main.py:643]
{rank 0/100} MD step = 261700 step time: 00:00:00.020113 Performance: 126.527 ns/day 0.190 hours/ns 7.322 steps/s 2023-04-07 21:50:58,028 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 261700 52340 49.359 -36283 5409.8 -41693 -41693 2.9313 2.2082 0.87013 4.2018e+05 2023-04-07 21:50:59,895 INFO [main.py:643]
{rank 0/100} MD step = 261800 step time: 00:00:00.017884 Performance: 126.539 ns/day 0.190 hours/ns 7.323 steps/s 2023-04-07 21:51:08,656 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 261800 52360 49.903 -36299 5469.4 -41768 -41768 2.936 2.2076 0.87133 4.2032e+05 2023-04-07 21:51:10,657 INFO [main.py:643]
{rank 0/100} MD step = 261900 step time: 00:00:00.018117 Performance: 126.549 ns/day 0.190 hours/ns 7.323 steps/s 2023-04-07 21:51:23,643 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 261900 52380 51.109 -36105 5601.6 -41707 -41707 2.9395 2.2081 0.8706 4.205e+05 2023-04-07 21:51:25,547 INFO [main.py:643]
{rank 0/100} MD step = 262000 step time: 00:00:00.018100 Performance: 126.544 ns/day 0.190 hours/ns 7.323 steps/s 2023-04-07 21:51:42,922 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 262000 52400 50.607 -36092 5546.6 -41638 -41638 2.9431 2.2084 0.87197 4.2065e+05 2023-04-07 21:51:44,866 INFO [main.py:643]
{rank 0/100} MD step = 262100 step time: 00:00:00.017974 Performance: 126.524 ns/day 0.190 hours/ns 7.322 steps/s 2023-04-07 21:51:57,930 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 262100 52420 49.852 -36232 5463.9 -41696 -41696 2.9444 2.209 0.87228 4.2082e+05 2023-04-07 21:52:04,107 INFO [main.py:643]
{rank 0/100} MD step = 262200 step time: 00:00:00.018317 Performance: 126.505 ns/day 0.190 hours/ns 7.321 steps/s 2023-04-07 21:52:18,509 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 262200 52440 49.54 -36264 5429.6 -41693 -41693 2.9442 2.2092 0.87224 4.2097e+05 2023-04-07 21:52:20,436 INFO [main.py:643]
{rank 0/100} MD step = 262300 step time: 00:00:00.018105 Performance: 126.495 ns/day 0.190 hours/ns 7.320 steps/s 2023-04-07 21:52:49,327 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 262300 52460 49.981 -36187 5477.9 -41665 -41665 2.9463 2.2097 0.87384 4.2115e+05 2023-04-07 21:52:51,331 INFO [main.py:643]
{rank 0/100} MD step = 262400 step time: 00:00:00.018063 Performance: 126.434 ns/day 0.190 hours/ns 7.317 steps/s 2023-04-07 21:53:13,189 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 262400 52480 50.422 -36207 5526.3 -41734 -41734 2.9459 2.2085 0.87334 4.213e+05 2023-04-07 21:53:15,168 INFO [main.py:643]
{rank 0/100} MD step = 262500 step time: 00:00:00.017985 Performance: 126.399 ns/day 0.190 hours/ns 7.315 steps/s 2023-04-07 21:53:41,477 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 262500 52500 50.382 -36197 5522 -41719 -41719 2.9473 2.209 0.87405 4.2148e+05 2023-04-07 21:53:46,946 INFO [main.py:643]
{rank 0/100} MD step = 262600 step time: 00:00:00.018085 Performance: 126.335 ns/day 0.190 hours/ns 7.311 steps/s 2023-04-07 21:53:55,005 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 262600 52520 50.454 -36126 5529.9 -41656 -41656 2.9494 2.2105 0.87386 4.2166e+05 2023-04-07 21:53:59,886 INFO [main.py:643]
{rank 0/100} MD step = 262700 step time: 00:00:00.018088 Performance: 126.338 ns/day 0.190 hours/ns 7.311 steps/s 2023-04-07 21:54:18,058 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 262700 52540 50.167 -36199 5498.4 -41697 -41697 2.9515 2.2121 0.8737 4.2182e+05 2023-04-07 21:54:19,907 INFO [main.py:643]
{rank 0/100} MD step = 262800 step time: 00:00:00.018028 Performance: 126.315 ns/day 0.190 hours/ns 7.310 steps/s 2023-04-07 21:54:41,305 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 262800 52560 50.176 -36257 5499.4 -41757 -41757 2.9547 2.2135 0.87369 4.2198e+05 2023-04-07 21:54:43,200 INFO [main.py:643]
{rank 0/100} MD step = 262900 step time: 00:00:00.018059 Performance: 126.281 ns/day 0.190 hours/ns 7.308 steps/s 2023-04-07 21:54:47,752 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 262900 52580 49.809 -36184 5459.2 -41644 -41644 2.9569 2.2137 0.87437 4.2213e+05 2023-04-07 21:54:49,715 INFO [main.py:643]
{rank 0/100} MD step = 263000 step time: 00:00:00.017965 Performance: 126.307 ns/day 0.190 hours/ns 7.309 steps/s 2023-04-07 21:55:06,807 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 263000 52600 50.505 -36250 5535.5 -41786 -41786 2.9591 2.2135 0.87424 4.223e+05 2023-04-07 21:55:08,686 INFO [main.py:643]
{rank 0/100} MD step = 263100 step time: 00:00:00.018068 Performance: 126.288 ns/day 0.190 hours/ns 7.308 steps/s 2023-04-07 21:55:32,828 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 263100 52620 49.813 -36247 5459.6 -41706 -41706 2.9609 2.2144 0.87402 4.225e+05 2023-04-07 21:55:34,689 INFO [main.py:643]
{rank 0/100} MD step = 263200 step time: 00:00:00.018578 Performance: 126.245 ns/day 0.190 hours/ns 7.306 steps/s 2023-04-07 21:55:56,372 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 263200 52640 50.778 -36208 5565.4 -41773 -41773 2.96 2.2139 0.87359 4.2264e+05 2023-04-07 21:55:58,330 INFO [main.py:643]
{rank 0/100} MD step = 263300 step time: 00:00:00.020258 Performance: 126.210 ns/day 0.190 hours/ns 7.304 steps/s 2023-04-07 21:56:15,829 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 263300 52660 49.719 -36222 5449.3 -41672 -41672 2.9622 2.2159 0.87349 4.2284e+05 2023-04-07 21:56:18,504 INFO [main.py:643]
{rank 0/100} MD step = 263400 step time: 00:00:00.018148 Performance: 126.187 ns/day 0.190 hours/ns 7.303 steps/s 2023-04-07 21:56:28,841 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 263400 52680 50.042 -36181 5484.6 -41665 -41665 2.9644 2.2175 0.87356 4.2299e+05 2023-04-07 21:56:30,765 INFO [main.py:643]
{rank 0/100} MD step = 263500 step time: 00:00:00.017896 Performance: 126.192 ns/day 0.190 hours/ns 7.303 steps/s 2023-04-07 21:57:00,974 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 263500 52700 49.566 -36191 5432.5 -41624 -41624 2.967 2.2206 0.87338 4.2316e+05 2023-04-07 21:57:02,955 INFO [main.py:643]
{rank 0/100} MD step = 263600 step time: 00:00:00.018092 Performance: 126.128 ns/day 0.190 hours/ns 7.299 steps/s 2023-04-07 21:57:08,483 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 263600 52720 50.95 -36108 5584.2 -41692 -41692 2.9713 2.2217 0.87312 4.2332e+05 2023-04-07 21:57:11,040 INFO [main.py:643]
{rank 0/100} MD step = 263700 step time: 00:00:00.019753 Performance: 126.147 ns/day 0.190 hours/ns 7.300 steps/s 2023-04-07 21:57:43,772 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 263700 52740 49.792 -36174 5457.2 -41632 -41632 2.9743 2.2227 0.87205 4.2351e+05 2023-04-07 21:57:45,659 INFO [main.py:643]
{rank 0/100} MD step = 263800 step time: 00:00:00.019947 Performance: 126.074 ns/day 0.190 hours/ns 7.296 steps/s 2023-04-07 21:57:58,755 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 263800 52760 49.551 -36246 5430.8 -41677 -41677 2.9758 2.2223 0.87245 4.2368e+05 2023-04-07 21:58:00,623 INFO [main.py:643]
{rank 0/100} MD step = 263900 step time: 00:00:00.017875 Performance: 126.070 ns/day 0.190 hours/ns 7.296 steps/s 2023-04-07 21:58:18,139 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 263900 52780 50.066 -36162 5487.3 -41650 -41650 2.9774 2.2246 0.87201 4.2386e+05 2023-04-07 21:58:19,965 INFO [main.py:643]
{rank 0/100} MD step = 264000 step time: 00:00:00.018037 Performance: 126.050 ns/day 0.190 hours/ns 7.295 steps/s 2023-04-07 21:58:33,395 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 264000 52800 50.259 -36195 5508.5 -41704 -41704 2.9777 2.2257 0.87241 4.2403e+05 2023-04-07 21:58:39,133 INFO [main.py:643]
{rank 0/100} MD step = 264100 step time: 00:00:00.017882 Performance: 126.031 ns/day 0.190 hours/ns 7.293 steps/s 2023-04-07 21:58:50,562 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 264100 52820 50.108 -36169 5491.9 -41661 -41661 2.98 2.2264 0.87079 4.242e+05 2023-04-07 21:58:52,379 INFO [main.py:643]
{rank 0/100} MD step = 264200 step time: 00:00:00.018124 Performance: 126.033 ns/day 0.190 hours/ns 7.294 steps/s 2023-04-07 21:59:01,804 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 264200 52840 50.122 -36159 5493.4 -41653 -41653 2.9839 2.2264 0.87123 4.2438e+05 2023-04-07 21:59:03,729 INFO [main.py:643]
{rank 0/100} MD step = 264300 step time: 00:00:00.018155 Performance: 126.041 ns/day 0.190 hours/ns 7.294 steps/s 2023-04-07 21:59:28,945 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 264300 52860 50.398 -36049 5523.7 -41573 -41573 2.9857 2.2272 0.87243 4.2456e+05 2023-04-07 21:59:30,824 INFO [main.py:643]
{rank 0/100} MD step = 264400 step time: 00:00:00.018135 Performance: 125.995 ns/day 0.190 hours/ns 7.291 steps/s 2023-04-07 21:59:48,805 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 264400 52880 50.36 -36202 5519.5 -41722 -41722 2.9868 2.2294 0.87413 4.247e+05 2023-04-07 21:59:50,666 INFO [main.py:643]
{rank 0/100} MD step = 264500 step time: 00:00:00.017960 Performance: 125.973 ns/day 0.191 hours/ns 7.290 steps/s 2023-04-07 22:00:00,148 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 264500 52900 50.15 -36182 5496.5 -41679 -41679 2.9912 2.23 0.87515 4.2488e+05 2023-04-07 22:00:01,970 INFO [main.py:643]
{rank 0/100} MD step = 264600 step time: 00:00:00.017790 Performance: 125.982 ns/day 0.191 hours/ns 7.291 steps/s 2023-04-07 22:00:14,363 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 264600 52920 49.918 -36111 5471.1 -41582 -41582 2.99 2.231 0.8768 4.2504e+05 2023-04-07 22:00:16,711 INFO [main.py:643]
{rank 0/100} MD step = 264700 step time: 00:00:00.017867 Performance: 125.978 ns/day 0.191 hours/ns 7.290 steps/s 2023-04-07 22:00:33,620 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 264700 52940 49.99 -36239 5479 -41718 -41718 2.9925 2.2308 0.87533 4.2517e+05 2023-04-07 22:00:35,489 INFO [main.py:643]
{rank 0/100} MD step = 264800 step time: 00:00:00.018346 Performance: 125.961 ns/day 0.191 hours/ns 7.289 steps/s 2023-04-07 22:00:36,571 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 264800 52960 49.691 -36218 5446.2 -41664 -41664 2.9972 2.2304 0.8762 4.2535e+05 2023-04-07 22:00:38,497 INFO [main.py:643]
{rank 0/100} MD step = 264900 step time: 00:00:00.017992 Performance: 125.998 ns/day 0.190 hours/ns 7.292 steps/s 2023-04-07 22:00:50,671 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 264900 52980 50.298 -36206 5512.8 -41719 -41719 2.9986 2.231 0.87799 4.2552e+05 2023-04-07 22:00:52,495 INFO [main.py:643]
{rank 0/100} MD step = 265000 step time: 00:00:00.018267 Performance: 125.997 ns/day 0.190 hours/ns 7.291 steps/s 2023-04-07 22:01:06,081 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 265000 53000 50.306 -36214 5513.6 -41727 -41727 3.0015 2.2338 0.87765 4.2569e+05 2023-04-07 22:01:07,964 INFO [main.py:643]
{rank 0/100} MD step = 265100 step time: 00:00:00.017806 Performance: 125.991 ns/day 0.190 hours/ns 7.291 steps/s 2023-04-07 22:01:20,912 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 265100 53020 50.435 -36135 5527.8 -41663 -41663 3.0044 2.2346 0.87896 4.2586e+05 2023-04-07 22:01:22,935 INFO [main.py:643]
{rank 0/100} MD step = 265200 step time: 00:00:00.018006 Performance: 125.986 ns/day 0.190 hours/ns 7.291 steps/s 2023-04-07 22:01:40,313 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 265200 53040 50.012 -36259 5481.4 -41740 -41740 3.0049 2.2353 0.87814 4.26e+05 2023-04-07 22:01:42,323 INFO [main.py:643]
{rank 0/100} MD step = 265300 step time: 00:00:00.018130 Performance: 125.967 ns/day 0.191 hours/ns 7.290 steps/s 2023-04-07 22:01:46,711 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 265300 53060 49.829 -36248 5461.3 -41709 -41709 3.0076 2.2353 0.87818 4.2617e+05 2023-04-07 22:01:48,550 INFO [main.py:643]
{rank 0/100} MD step = 265400 step time: 00:00:00.017836 Performance: 125.993 ns/day 0.190 hours/ns 7.291 steps/s 2023-04-07 22:02:18,691 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 265400 53080 50.946 -36057 5583.7 -41641 -41641 3.0084 2.2367 0.87774 4.2635e+05 2023-04-07 22:02:20,587 INFO [main.py:643]
{rank 0/100} MD step = 265500 step time: 00:00:00.018053 Performance: 125.929 ns/day 0.191 hours/ns 7.288 steps/s 2023-04-07 22:02:39,921 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 265500 53100 50.419 -36223 5526 -41749 -41749 3.0116 2.2379 0.87783 4.265e+05 2023-04-07 22:02:41,899 INFO [main.py:643]
{rank 0/100} MD step = 265600 step time: 00:00:00.018007 Performance: 125.903 ns/day 0.191 hours/ns 7.286 steps/s 2023-04-07 22:03:07,969 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 265600 53120 49.521 -36335 5427.6 -41763 -41763 3.0158 2.2393 0.87831 4.2665e+05 2023-04-07 22:03:09,837 INFO [main.py:643]
{rank 0/100} MD step = 265700 step time: 00:00:00.018208 Performance: 125.854 ns/day 0.191 hours/ns 7.283 steps/s 2023-04-07 22:03:31,648 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 265700 53140 50.245 -36181 5506.9 -41688 -41688 3.0177 2.241 0.87839 4.2684e+05 2023-04-07 22:03:33,545 INFO [main.py:643]
{rank 0/100} MD step = 265800 step time: 00:00:00.019013 Performance: 125.820 ns/day 0.191 hours/ns 7.281 steps/s 2023-04-07 22:03:42,572 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 265800 53160 50.434 -36047 5527.6 -41575 -41575 3.0179 2.2427 0.87893 4.27e+05 2023-04-07 22:03:44,409 INFO [main.py:643]
{rank 0/100} MD step = 265900 step time: 00:00:00.019833 Performance: 125.829 ns/day 0.191 hours/ns 7.282 steps/s 2023-04-07 22:03:57,487 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 265900 53180 49.659 -36312 5442.7 -41754 -41754 3.0192 2.2438 0.87971 4.2714e+05 2023-04-07 22:03:59,356 INFO [main.py:643]
{rank 0/100} MD step = 266000 step time: 00:00:00.017848 Performance: 125.825 ns/day 0.191 hours/ns 7.282 steps/s 2023-04-07 22:04:12,856 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 266000 53200 50.326 -36118 5515.8 -41634 -41634 3.0214 2.2445 0.87952 4.2733e+05 2023-04-07 22:04:14,705 INFO [main.py:643]
{rank 0/100} MD step = 266100 step time: 00:00:00.017956 Performance: 125.820 ns/day 0.191 hours/ns 7.281 steps/s 2023-04-07 22:04:23,338 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 266100 53220 49.804 -36249 5458.6 -41708 -41708 3.0245 2.2455 0.87794 4.2747e+05 2023-04-07 22:04:25,238 INFO [main.py:643]
{rank 0/100} MD step = 266200 step time: 00:00:00.017941 Performance: 125.831 ns/day 0.191 hours/ns 7.282 steps/s 2023-04-07 22:04:30,379 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 266200 53240 49.89 -36093 5468 -41561 -41561 3.0254 2.2467 0.87707 4.2765e+05 2023-04-07 22:04:32,173 INFO [main.py:643]
{rank 0/100} MD step = 266300 step time: 00:00:00.018068 Performance: 125.854 ns/day 0.191 hours/ns 7.283 steps/s 2023-04-07 22:04:36,893 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 266300 53260 50.599 -36223 5545.7 -41769 -41769 3.0291 2.2483 0.87542 4.2778e+05 2023-04-07 22:04:38,745 INFO [main.py:643]
{rank 0/100} MD step = 266400 step time: 00:00:00.018067 Performance: 125.879 ns/day 0.191 hours/ns 7.285 steps/s 2023-04-07 22:04:47,229 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 266400 53280 49.623 -36204 5438.7 -41643 -41643 3.0308 2.2479 0.87554 4.2799e+05 2023-04-07 22:04:49,135 INFO [main.py:643]
{rank 0/100} MD step = 266500 step time: 00:00:00.017950 Performance: 125.890 ns/day 0.191 hours/ns 7.285 steps/s 2023-04-07 22:04:53,409 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 266500 53300 50.117 -36169 5492.9 -41662 -41662 3.0341 2.2473 0.87492 4.2816e+05 2023-04-07 22:04:55,254 INFO [main.py:643]
{rank 0/100} MD step = 266600 step time: 00:00:00.017931 Performance: 125.916 ns/day 0.191 hours/ns 7.287 steps/s 2023-04-07 22:05:12,724 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 266600 53320 49.955 -36217 5475.1 -41692 -41692 3.0377 2.2489 0.87494 4.2826e+05 2023-04-07 22:05:14,547 INFO [main.py:643]
{rank 0/100} MD step = 266700 step time: 00:00:00.019843 Performance: 125.897 ns/day 0.191 hours/ns 7.286 steps/s 2023-04-07 22:05:44,753 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 266700 53340 49.593 -36291 5435.4 -41726 -41726 3.0392 2.2512 0.87343 4.2843e+05 2023-04-07 22:05:46,721 INFO [main.py:643]
{rank 0/100} MD step = 266800 step time: 00:00:00.018183 Performance: 125.834 ns/day 0.191 hours/ns 7.282 steps/s 2023-04-07 22:06:04,515 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 266800 53360 50.441 -36179 5528.4 -41707 -41707 3.0436 2.2518 0.87291 4.2859e+05 2023-04-07 22:06:06,486 INFO [main.py:643]
{rank 0/100} MD step = 266900 step time: 00:00:00.018103 Performance: 125.813 ns/day 0.191 hours/ns 7.281 steps/s 2023-04-07 22:06:28,162 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 266900 53380 49.203 -36325 5392.7 -41718 -41718 3.0471 2.2539 0.87352 4.2875e+05 2023-04-07 22:06:29,971 INFO [main.py:643]
{rank 0/100} MD step = 267000 step time: 00:00:00.018070 Performance: 125.780 ns/day 0.191 hours/ns 7.279 steps/s 2023-04-07 22:06:40,942 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 267000 53400 49.615 -36169 5437.8 -41607 -41607 3.0491 2.2544 0.87293 4.2893e+05 2023-04-07 22:06:42,900 INFO [main.py:643]
{rank 0/100} MD step = 267100 step time: 00:00:00.017988 Performance: 125.783 ns/day 0.191 hours/ns 7.279 steps/s 2023-04-07 22:06:47,952 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 267100 53420 50.305 -36289 5513.4 -41803 -41803 3.0529 2.2556 0.87508 4.2906e+05 2023-04-07 22:06:52,984 INFO [main.py:643]
{rank 0/100} MD step = 267200 step time: 00:00:00.017965 Performance: 125.795 ns/day 0.191 hours/ns 7.280 steps/s 2023-04-07 22:07:15,210 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 267200 53440 49.55 -36326 5430.8 -41756 -41756 3.056 2.2566 0.87336 4.2923e+05 2023-04-07 22:07:17,181 INFO [main.py:643]
{rank 0/100} MD step = 267300 step time: 00:00:00.017974 Performance: 125.759 ns/day 0.191 hours/ns 7.278 steps/s 2023-04-07 22:07:26,219 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 267300 53460 50.101 -36239 5491.1 -41730 -41730 3.0574 2.2584 0.8752 4.2939e+05 2023-04-07 22:07:28,050 INFO [main.py:643]
{rank 0/100} MD step = 267400 step time: 00:00:00.017960 Performance: 125.769 ns/day 0.191 hours/ns 7.278 steps/s 2023-04-07 22:07:53,787 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 267400 53480 50.352 -36248 5518.6 -41767 -41767 3.0563 2.2585 0.87609 4.2956e+05 2023-04-07 22:07:55,692 INFO [main.py:643]
{rank 0/100} MD step = 267500 step time: 00:00:00.017910 Performance: 125.721 ns/day 0.191 hours/ns 7.276 steps/s 2023-04-07 22:08:08,756 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 267500 53500 49.995 -36113 5479.5 -41593 -41593 3.0587 2.2589 0.87609 4.2975e+05 2023-04-07 22:08:10,631 INFO [main.py:643]
{rank 0/100} MD step = 267600 step time: 00:00:00.017990 Performance: 125.717 ns/day 0.191 hours/ns 7.275 steps/s 2023-04-07 22:08:19,595 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 267600 53520 49.476 -36227 5422.6 -41649 -41649 3.0596 2.2603 0.87531 4.299e+05 2023-04-07 22:08:21,887 INFO [main.py:643]
{rank 0/100} MD step = 267700 step time: 00:00:00.018093 Performance: 125.726 ns/day 0.191 hours/ns 7.276 steps/s 2023-04-07 22:08:43,154 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 267700 53540 50.977 -36119 5587.2 -41706 -41706 3.0631 2.2613 0.87695 4.3006e+05 2023-04-07 22:08:45,005 INFO [main.py:643]
{rank 0/100} MD step = 267800 step time: 00:00:00.017797 Performance: 125.694 ns/day 0.191 hours/ns 7.274 steps/s 2023-04-07 22:08:52,390 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 267800 53560 49.835 -36174 5461.9 -41636 -41636 3.064 2.2618 0.87565 4.3023e+05 2023-04-07 22:08:54,374 INFO [main.py:643]
{rank 0/100} MD step = 267900 step time: 00:00:00.018128 Performance: 125.709 ns/day 0.191 hours/ns 7.275 steps/s 2023-04-07 22:08:58,862 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 267900 53580 50.527 -36192 5537.8 -41730 -41730 3.0658 2.2618 0.87456 4.3038e+05 2023-04-07 22:09:00,677 INFO [main.py:643]
{rank 0/100} MD step = 268000 step time: 00:00:00.017986 Performance: 125.734 ns/day 0.191 hours/ns 7.276 steps/s 2023-04-07 22:09:17,517 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 268000 53600 49.627 -36348 5439.2 -41787 -41787 3.0683 2.264 0.8758 4.3053e+05 2023-04-07 22:09:20,014 INFO [main.py:643]
{rank 0/100} MD step = 268100 step time: 00:00:00.017923 Performance: 125.715 ns/day 0.191 hours/ns 7.275 steps/s 2023-04-07 22:09:28,137 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 268100 53620 49.824 -36302 5460.8 -41762 -41762 3.0705 2.2643 0.87667 4.3072e+05 2023-04-07 22:09:30,075 INFO [main.py:643]
{rank 0/100} MD step = 268200 step time: 00:00:00.017898 Performance: 125.728 ns/day 0.191 hours/ns 7.276 steps/s 2023-04-07 22:09:43,301 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 268200 53640 50.907 -36064 5579.5 -41643 -41643 3.0711 2.2649 0.87698 4.3089e+05 2023-04-07 22:09:45,102 INFO [main.py:643]
{rank 0/100} MD step = 268300 step time: 00:00:00.018119 Performance: 125.723 ns/day 0.191 hours/ns 7.276 steps/s 2023-04-07 22:09:46,458 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 268300 53660 50.353 -36196 5518.8 -41715 -41715 3.0741 2.2668 0.87881 4.3106e+05 2023-04-07 22:09:48,355 INFO [main.py:643]
{rank 0/100} MD step = 268400 step time: 00:00:00.018002 Performance: 125.759 ns/day 0.191 hours/ns 7.278 steps/s 2023-04-07 22:09:52,035 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 268400 53680 49.753 -36225 5453 -41678 -41678 3.0755 2.2688 0.87811 4.3121e+05 2023-04-07 22:09:53,966 INFO [main.py:643]
{rank 0/100} MD step = 268500 step time: 00:00:00.017829 Performance: 125.787 ns/day 0.191 hours/ns 7.279 steps/s 2023-04-07 22:09:55,525 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 268500 53700 50.017 -36218 5481.9 -41700 -41700 3.0773 2.2704 0.87737 4.3135e+05 2023-04-07 22:09:57,426 INFO [main.py:643]
{rank 0/100} MD step = 268600 step time: 00:00:00.018009 Performance: 125.822 ns/day 0.191 hours/ns 7.281 steps/s 2023-04-07 22:10:02,708 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 268600 53720 49.92 -36300 5471.2 -41772 -41772 3.0786 2.2719 0.87843 4.3152e+05 2023-04-07 22:10:04,534 INFO [main.py:643]
{rank 0/100} MD step = 268700 step time: 00:00:00.017890 Performance: 125.844 ns/day 0.191 hours/ns 7.283 steps/s 2023-04-07 22:10:14,215 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 268700 53740 49.783 -36156 5456.3 -41613 -41613 3.0814 2.2744 0.87982 4.3167e+05 2023-04-07 22:10:16,213 INFO [main.py:643]
{rank 0/100} MD step = 268800 step time: 00:00:00.018050 Performance: 125.851 ns/day 0.191 hours/ns 7.283 steps/s 2023-04-07 22:10:20,039 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 268800 53760 50.252 -36245 5507.6 -41753 -41753 3.0835 2.2762 0.88069 4.318e+05 2023-04-07 22:10:21,988 INFO [main.py:643]
{rank 0/100} MD step = 268900 step time: 00:00:00.017981 Performance: 125.879 ns/day 0.191 hours/ns 7.285 steps/s 2023-04-07 22:10:30,607 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 268900 53780 49.92 -36201 5471.3 -41673 -41673 3.088 2.2777 0.88042 4.3197e+05 2023-04-07 22:10:32,461 INFO [main.py:643]
{rank 0/100} MD step = 269000 step time: 00:00:00.018271 Performance: 125.890 ns/day 0.191 hours/ns 7.285 steps/s 2023-04-07 22:10:37,260 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 269000 53800 49.961 -36185 5475.8 -41661 -41661 3.0922 2.2796 0.87987 4.3216e+05 2023-04-07 22:10:39,150 INFO [main.py:643]
{rank 0/100} MD step = 269100 step time: 00:00:00.018048 Performance: 125.914 ns/day 0.191 hours/ns 7.287 steps/s 2023-04-07 22:10:48,897 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 269100 53820 49.935 -36264 5473 -41737 -41737 3.0945 2.2813 0.88053 4.3228e+05 2023-04-07 22:10:50,711 INFO [main.py:643]
{rank 0/100} MD step = 269200 step time: 00:00:00.018434 Performance: 125.921 ns/day 0.191 hours/ns 7.287 steps/s 2023-04-07 22:10:53,405 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 269200 53840 49.877 -36283 5466.6 -41749 -41749 3.096 2.2826 0.8818 4.3246e+05 2023-04-07 22:10:55,280 INFO [main.py:643]
{rank 0/100} MD step = 269300 step time: 00:00:00.018085 Performance: 125.952 ns/day 0.191 hours/ns 7.289 steps/s 2023-04-07 22:10:56,474 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 269300 53860 49.848 -36228 5463.4 -41692 -41692 3.0988 2.2831 0.88272 4.3262e+05 2023-04-07 22:10:58,330 INFO [main.py:643]
{rank 0/100} MD step = 269400 step time: 00:00:00.018065 Performance: 125.989 ns/day 0.190 hours/ns 7.291 steps/s 2023-04-07 22:11:03,294 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 269400 53880 50.516 -36097 5536.6 -41633 -41633 3.1025 2.2842 0.88335 4.3278e+05 2023-04-07 22:11:05,380 INFO [main.py:643]
{rank 0/100} MD step = 269500 step time: 00:00:00.018095 Performance: 126.011 ns/day 0.190 hours/ns 7.292 steps/s 2023-04-07 22:11:09,064 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 269500 53900 49.899 -36208 5469 -41677 -41677 3.1047 2.2846 0.88424 4.3298e+05 2023-04-07 22:11:11,246 INFO [main.py:643]
{rank 0/100} MD step = 269600 step time: 00:00:00.018007 Performance: 126.038 ns/day 0.190 hours/ns 7.294 steps/s 2023-04-07 22:11:20,367 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 269600 53920 50.207 -36250 5502.7 -41753 -41753 3.1053 2.286 0.88675 4.3313e+05 2023-04-07 22:11:22,267 INFO [main.py:643]
{rank 0/100} MD step = 269700 step time: 00:00:00.018145 Performance: 126.047 ns/day 0.190 hours/ns 7.294 steps/s 2023-04-07 22:11:30,573 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 269700 53940 50.46 -36172 5530.5 -41703 -41703 3.1075 2.2859 0.88607 4.3331e+05 2023-04-07 22:11:32,882 INFO [main.py:643]
{rank 0/100} MD step = 269800 step time: 00:00:00.017958 Performance: 126.058 ns/day 0.190 hours/ns 7.295 steps/s 2023-04-07 22:11:45,712 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 269800 53960 49.483 -36214 5423.4 -41637 -41637 3.1068 2.2865 0.88565 4.3349e+05 2023-04-07 22:11:47,624 INFO [main.py:643]
{rank 0/100} MD step = 269900 step time: 00:00:00.018142 Performance: 126.054 ns/day 0.190 hours/ns 7.295 steps/s 2023-04-07 22:11:52,854 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 269900 53980 49.415 -36170 5415.9 -41586 -41586 3.1106 2.2872 0.88695 4.3366e+05 2023-04-07 22:11:54,782 INFO [main.py:643]
{rank 0/100} MD step = 270000 step time: 00:00:00.017963 Performance: 126.077 ns/day 0.190 hours/ns 7.296 steps/s 2023-04-07 22:11:55,842 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 270000 54000 49.98 -36204 5477.9 -41682 -41682 3.1136 2.2884 0.88845 4.3379e+05 2023-04-07 22:11:57,782 INFO [main.py:643]
{rank 0/100} MD step = 270100 step time: 00:00:00.017826 Performance: 126.113 ns/day 0.190 hours/ns 7.298 steps/s 2023-04-07 22:12:07,070 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 270100 54020 49.896 -36164 5468.6 -41633 -41633 3.1165 2.2883 0.88804 4.3396e+05 2023-04-07 22:12:09,002 INFO [main.py:643]
{rank 0/100} MD step = 270200 step time: 00:00:00.017998 Performance: 126.122 ns/day 0.190 hours/ns 7.299 steps/s 2023-04-07 22:12:13,479 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 270200 54040 50.694 -36143 5556.1 -41699 -41699 3.1181 2.2899 0.88866 4.3412e+05 2023-04-07 22:12:15,346 INFO [main.py:643]
{rank 0/100} MD step = 270300 step time: 00:00:00.017939 Performance: 126.147 ns/day 0.190 hours/ns 7.300 steps/s 2023-04-07 22:12:20,398 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 270300 54060 50.807 -36063 5568.5 -41631 -41631 3.1205 2.2889 0.88842 4.343e+05 2023-04-07 22:12:22,258 INFO [main.py:643]
{rank 0/100} MD step = 270400 step time: 00:00:00.017893 Performance: 126.170 ns/day 0.190 hours/ns 7.301 steps/s 2023-04-07 22:12:23,108 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 270400 54080 50.11 -36188 5492.1 -41680 -41680 3.1239 2.2918 0.88679 4.3446e+05 2023-04-07 22:12:36,682 INFO [main.py:643]
{rank 0/100} MD step = 270500 step time: 00:00:00.018017 Performance: 126.167 ns/day 0.190 hours/ns 7.301 steps/s 2023-04-07 22:12:41,529 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 270500 54100 49.993 -36206 5479.2 -41685 -41685 3.1268 2.2934 0.88714 4.3461e+05 2023-04-07 22:12:43,552 INFO [main.py:643]
{rank 0/100} MD step = 270600 step time: 00:00:00.017939 Performance: 126.190 ns/day 0.190 hours/ns 7.303 steps/s 2023-04-07 22:12:48,478 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 270600 54120 50.332 -36175 5516.4 -41691 -41691 3.1305 2.293 0.88825 4.3476e+05 2023-04-07 22:12:50,306 INFO [main.py:643]
{rank 0/100} MD step = 270700 step time: 00:00:00.017980 Performance: 126.214 ns/day 0.190 hours/ns 7.304 steps/s 2023-04-07 22:12:54,742 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 270700 54140 49.625 -36239 5438.9 -41678 -41678 3.1351 2.2945 0.88675 4.3494e+05 2023-04-07 22:12:56,669 INFO [main.py:643]
{rank 0/100} MD step = 270800 step time: 00:00:00.018013 Performance: 126.239 ns/day 0.190 hours/ns 7.306 steps/s 2023-04-07 22:13:14,036 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 270800 54160 49.709 -36285 5448.1 -41733 -41733 3.138 2.2963 0.88729 4.3508e+05 2023-04-07 22:13:15,891 INFO [main.py:643]
{rank 0/100} MD step = 270900 step time: 00:00:00.018019 Performance: 126.220 ns/day 0.190 hours/ns 7.304 steps/s 2023-04-07 22:13:24,510 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 270900 54180 50.084 -36248 5489.3 -41737 -41737 3.1406 2.2966 0.88839 4.3524e+05 2023-04-07 22:13:26,432 INFO [main.py:643]
{rank 0/100} MD step = 271000 step time: 00:00:00.018014 Performance: 126.231 ns/day 0.190 hours/ns 7.305 steps/s 2023-04-07 22:13:27,605 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 271000 54200 50.033 -36190 5483.7 -41674 -41674 3.1401 2.2975 0.88921 4.3539e+05 2023-04-07 22:13:29,473 INFO [main.py:643]
{rank 0/100} MD step = 271100 step time: 00:00:00.018012 Performance: 126.267 ns/day 0.190 hours/ns 7.307 steps/s 2023-04-07 22:13:30,584 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 271100 54220 50.142 -36138 5495.6 -41633 -41633 3.1396 2.298 0.89065 4.3559e+05 2023-04-07 22:13:32,551 INFO [main.py:643]
{rank 0/100} MD step = 271200 step time: 00:00:00.018093 Performance: 126.303 ns/day 0.190 hours/ns 7.309 steps/s 2023-04-07 22:13:37,287 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 271200 54240 50.526 -36185 5537.7 -41722 -41722 3.1401 2.2996 0.89283 4.3572e+05 2023-04-07 22:13:39,109 INFO [main.py:643]
{rank 0/100} MD step = 271300 step time: 00:00:00.018015 Performance: 126.327 ns/day 0.190 hours/ns 7.311 steps/s 2023-04-07 22:13:44,018 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 271300 54260 49.786 -36239 5456.6 -41696 -41696 3.1422 2.2998 0.89356 4.359e+05 2023-04-07 22:13:46,310 INFO [main.py:643]
{rank 0/100} MD step = 271400 step time: 00:00:00.017956 Performance: 126.350 ns/day 0.190 hours/ns 7.312 steps/s 2023-04-07 22:14:02,641 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 271400 54280 50.92 -36207 5580.9 -41787 -41787 3.1424 2.3002 0.89303 4.3605e+05 2023-04-07 22:14:04,561 INFO [main.py:643]
{rank 0/100} MD step = 271500 step time: 00:00:00.017930 Performance: 126.334 ns/day 0.190 hours/ns 7.311 steps/s 2023-04-07 22:14:10,214 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 271500 54300 49.385 -36381 5412.6 -41794 -41794 3.146 2.3009 0.89369 4.362e+05 2023-04-07 22:14:12,139 INFO [main.py:643]
{rank 0/100} MD step = 271600 step time: 00:00:00.017888 Performance: 126.355 ns/day 0.190 hours/ns 7.312 steps/s 2023-04-07 22:14:24,458 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 271600 54320 49.761 -36181 5453.9 -41635 -41635 3.1475 2.3021 0.89405 4.3637e+05 2023-04-07 22:14:26,339 INFO [main.py:643]
{rank 0/100} MD step = 271700 step time: 00:00:00.018001 Performance: 126.353 ns/day 0.190 hours/ns 7.312 steps/s 2023-04-07 22:14:39,402 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 271700 54340 50.349 -36194 5518.3 -41712 -41712 3.1488 2.302 0.89464 4.3653e+05 2023-04-07 22:14:41,318 INFO [main.py:643]
{rank 0/100} MD step = 271800 step time: 00:00:00.019104 Performance: 126.349 ns/day 0.190 hours/ns 7.312 steps/s 2023-04-07 22:14:51,170 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 271800 54360 49.379 -36310 5412 -41722 -41722 3.1515 2.3026 0.89388 4.3669e+05 2023-04-07 22:14:53,064 INFO [main.py:643]
{rank 0/100} MD step = 271900 step time: 00:00:00.017986 Performance: 126.355 ns/day 0.190 hours/ns 7.312 steps/s 2023-04-07 22:15:14,084 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 271900 54380 50.234 -36260 5505.7 -41766 -41766 3.1524 2.3025 0.89552 4.3682e+05 2023-04-07 22:15:15,918 INFO [main.py:643]
{rank 0/100} MD step = 272000 step time: 00:00:00.018078 Performance: 126.324 ns/day 0.190 hours/ns 7.310 steps/s 2023-04-07 22:15:29,481 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 272000 54400 49.607 -36198 5437 -41635 -41635 3.1552 2.303 0.89544 4.3703e+05 2023-04-07 22:15:31,320 INFO [main.py:643]
{rank 0/100} MD step = 272100 step time: 00:00:00.017840 Performance: 126.318 ns/day 0.190 hours/ns 7.310 steps/s 2023-04-07 22:15:43,891 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 272100 54420 50.539 -36115 5539.2 -41654 -41654 3.158 2.3049 0.89567 4.372e+05 2023-04-07 22:15:45,720 INFO [main.py:643]
{rank 0/100} MD step = 272200 step time: 00:00:00.018007 Performance: 126.316 ns/day 0.190 hours/ns 7.310 steps/s 2023-04-07 22:15:50,438 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 272200 54440 49.4 -36181 5414.3 -41595 -41595 3.1581 2.3079 0.89529 4.3737e+05 2023-04-07 22:15:52,328 INFO [main.py:643]
{rank 0/100} MD step = 272300 step time: 00:00:00.017884 Performance: 126.340 ns/day 0.190 hours/ns 7.311 steps/s 2023-04-07 22:16:05,964 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 272300 54460 50.522 -36164 5537.3 -41701 -41701 3.1591 2.3094 0.8933 4.3751e+05 2023-04-07 22:16:07,915 INFO [main.py:643]
{rank 0/100} MD step = 272400 step time: 00:00:00.020667 Performance: 126.333 ns/day 0.190 hours/ns 7.311 steps/s 2023-04-07 22:16:13,174 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 272400 54480 49.254 -36330 5398.3 -41728 -41728 3.1643 2.3102 0.89332 4.3766e+05 2023-04-07 22:16:15,196 INFO [main.py:643]
{rank 0/100} MD step = 272500 step time: 00:00:00.017909 Performance: 126.355 ns/day 0.190 hours/ns 7.312 steps/s 2023-04-07 22:16:42,039 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 272500 54500 49.804 -36328 5458.6 -41786 -41786 3.1673 2.3101 0.89382 4.3782e+05 2023-04-07 22:16:43,934 INFO [main.py:643]
{rank 0/100} MD step = 272600 step time: 00:00:00.018099 Performance: 126.304 ns/day 0.190 hours/ns 7.309 steps/s 2023-04-07 22:16:52,588 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 272600 54520 49.539 -36233 5429.6 -41662 -41662 3.1712 2.3121 0.89587 4.38e+05 2023-04-07 22:16:54,493 INFO [main.py:643]
{rank 0/100} MD step = 272700 step time: 00:00:00.018062 Performance: 126.314 ns/day 0.190 hours/ns 7.310 steps/s 2023-04-07 22:17:12,000 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 272700 54540 49.929 -36162 5472.2 -41634 -41634 3.172 2.3135 0.8951 4.3817e+05 2023-04-07 22:17:14,041 INFO [main.py:643]
{rank 0/100} MD step = 272800 step time: 00:00:00.017951 Performance: 126.294 ns/day 0.190 hours/ns 7.309 steps/s 2023-04-07 22:17:18,640 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 272800 54560 49.954 -36180 5475.1 -41655 -41655 3.1743 2.3148 0.89489 4.3835e+05 2023-04-07 22:17:20,630 INFO [main.py:643]
{rank 0/100} MD step = 272900 step time: 00:00:00.017997 Performance: 126.318 ns/day 0.190 hours/ns 7.310 steps/s 2023-04-07 22:17:29,413 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 272900 54580 50.079 -36200 5488.8 -41688 -41688 3.1745 2.3166 0.89569 4.3849e+05 2023-04-07 22:17:31,374 INFO [main.py:643]
{rank 0/100} MD step = 273000 step time: 00:00:00.018567 Performance: 126.328 ns/day 0.190 hours/ns 7.311 steps/s 2023-04-07 22:17:44,396 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 273000 54600 49.935 -36332 5472.9 -41805 -41805 3.1797 2.3162 0.89774 4.3863e+05 2023-04-07 22:17:46,243 INFO [main.py:643]
{rank 0/100} MD step = 273100 step time: 00:00:00.017860 Performance: 126.324 ns/day 0.190 hours/ns 7.310 steps/s 2023-04-07 22:17:54,749 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 273100 54620 50.367 -36188 5520.3 -41708 -41708 3.18 2.317 0.89843 4.388e+05 2023-04-07 22:17:56,579 INFO [main.py:643]
{rank 0/100} MD step = 273200 step time: 00:00:00.023262 Performance: 126.336 ns/day 0.190 hours/ns 7.311 steps/s 2023-04-07 22:18:05,920 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 273200 54640 50.23 -36178 5505.3 -41683 -41683 3.1823 2.3171 0.899 4.3894e+05 2023-04-07 22:18:07,873 INFO [main.py:643]
{rank 0/100} MD step = 273300 step time: 00:00:00.020880 Performance: 126.344 ns/day 0.190 hours/ns 7.312 steps/s 2023-04-07 22:18:09,222 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 273300 54660 49.749 -36278 5452.6 -41731 -41731 3.1873 2.3162 0.8994 4.391e+05 2023-04-07 22:18:11,057 INFO [main.py:643]
{rank 0/100} MD step = 273400 step time: 00:00:00.018102 Performance: 126.379 ns/day 0.190 hours/ns 7.314 steps/s 2023-04-07 22:18:27,085 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 273400 54680 50.726 -36216 5559.6 -41776 -41776 3.1895 2.317 0.90053 4.3925e+05 2023-04-07 22:18:29,020 INFO [main.py:643]
{rank 0/100} MD step = 273500 step time: 00:00:00.017897 Performance: 126.365 ns/day 0.190 hours/ns 7.313 steps/s 2023-04-07 22:18:30,323 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 273500 54700 49.531 -36304 5428.7 -41732 -41732 3.1925 2.3179 0.89936 4.394e+05 2023-04-07 22:18:32,214 INFO [main.py:643]
{rank 0/100} MD step = 273600 step time: 00:00:00.018228 Performance: 126.400 ns/day 0.190 hours/ns 7.315 steps/s 2023-04-07 22:18:44,334 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 273600 54720 49.829 -36322 5461.3 -41783 -41783 3.1958 2.3188 0.90047 4.3959e+05 2023-04-07 22:18:46,313 INFO [main.py:643]
{rank 0/100} MD step = 273700 step time: 00:00:00.017932 Performance: 126.399 ns/day 0.190 hours/ns 7.315 steps/s 2023-04-07 22:18:59,163 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 273700 54740 49.253 -36283 5398.2 -41681 -41681 3.1971 2.3202 0.90123 4.3974e+05 2023-04-07 22:19:01,084 INFO [main.py:643]
{rank 0/100} MD step = 273800 step time: 00:00:00.017985 Performance: 126.395 ns/day 0.190 hours/ns 7.315 steps/s 2023-04-07 22:19:06,283 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 273800 54760 49.492 -36326 5424.3 -41750 -41750 3.1983 2.3204 0.90137 4.3989e+05 2023-04-07 22:19:08,628 INFO [main.py:643]
{rank 0/100} MD step = 273900 step time: 00:00:00.018078 Performance: 126.416 ns/day 0.190 hours/ns 7.316 steps/s 2023-04-07 22:19:12,855 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 273900 54780 50.301 -36172 5513 -41685 -41685 3.2035 2.3201 0.90177 4.4005e+05 2023-04-07 22:19:14,739 INFO [main.py:643]
{rank 0/100} MD step = 274000 step time: 00:00:00.018033 Performance: 126.441 ns/day 0.190 hours/ns 7.317 steps/s 2023-04-07 22:19:22,853 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 274000 54800 50.441 -36151 5528.4 -41679 -41679 3.2067 2.3195 0.90255 4.4021e+05 2023-04-07 22:19:25,082 INFO [main.py:643]
{rank 0/100} MD step = 274100 step time: 00:00:00.017824 Performance: 126.452 ns/day 0.190 hours/ns 7.318 steps/s 2023-04-07 22:19:34,110 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 274100 54820 49.646 -36217 5441.2 -41658 -41658 3.2069 2.3198 0.90407 4.4038e+05 2023-04-07 22:19:35,944 INFO [main.py:643]
{rank 0/100} MD step = 274200 step time: 00:00:00.017905 Performance: 126.462 ns/day 0.190 hours/ns 7.318 steps/s 2023-04-07 22:19:40,198 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 274200 54840 50.079 -36229 5488.7 -41717 -41717 3.2099 2.3203 0.90582 4.4052e+05 2023-04-07 22:19:46,120 INFO [main.py:643]
{rank 0/100} MD step = 274300 step time: 00:00:00.018029 Performance: 126.474 ns/day 0.190 hours/ns 7.319 steps/s 2023-04-07 22:20:06,056 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 274300 54860 49.48 -36155 5423 -41578 -41578 3.2097 2.3213 0.90699 4.4071e+05 2023-04-07 22:20:07,931 INFO [main.py:643]
{rank 0/100} MD step = 274400 step time: 00:00:00.018306 Performance: 126.446 ns/day 0.190 hours/ns 7.317 steps/s 2023-04-07 22:20:16,690 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 274400 54880 49.722 -36279 5449.6 -41728 -41728 3.2128 2.3233 0.90889 4.4084e+05 2023-04-07 22:20:22,882 INFO [main.py:643]
{rank 0/100} MD step = 274500 step time: 00:00:00.017984 Performance: 126.442 ns/day 0.190 hours/ns 7.317 steps/s 2023-04-07 22:20:28,101 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 274500 54900 50.232 -36049 5505.4 -41554 -41554 3.2139 2.3236 0.90885 4.4101e+05 2023-04-07 22:20:29,983 INFO [main.py:643]
{rank 0/100} MD step = 274600 step time: 00:00:00.018039 Performance: 126.464 ns/day 0.190 hours/ns 7.319 steps/s 2023-04-07 22:20:38,018 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 274600 54920 49.983 -36269 5478.2 -41747 -41747 3.2155 2.3244 0.90811 4.4114e+05 2023-04-07 22:20:39,917 INFO [main.py:643]
{rank 0/100} MD step = 274700 step time: 00:00:00.018152 Performance: 126.477 ns/day 0.190 hours/ns 7.319 steps/s 2023-04-07 22:20:48,895 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 274700 54940 49.876 -36304 5466.4 -41771 -41771 3.2174 2.3257 0.90902 4.4129e+05 2023-04-07 22:20:50,785 INFO [main.py:643]
{rank 0/100} MD step = 274800 step time: 00:00:00.018006 Performance: 126.486 ns/day 0.190 hours/ns 7.320 steps/s 2023-04-07 22:20:51,997 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 274800 54960 50.464 -36160 5530.9 -41691 -41691 3.2158 2.3253 0.90874 4.4146e+05 2023-04-07 22:20:53,882 INFO [main.py:643]
{rank 0/100} MD step = 274900 step time: 00:00:00.017904 Performance: 126.522 ns/day 0.190 hours/ns 7.322 steps/s 2023-04-07 22:20:57,673 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 274900 54980 50.207 -36190 5502.8 -41693 -41693 3.2158 2.327 0.9089 4.4162e+05 2023-04-07 22:20:59,521 INFO [main.py:643]
{rank 0/100} MD step = 275000 step time: 00:00:00.017960 Performance: 126.549 ns/day 0.190 hours/ns 7.323 steps/s 2023-04-07 22:21:04,440 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 275000 55000 49.877 -36198 5466.6 -41665 -41665 3.2185 2.3266 0.90777 4.4178e+05 2023-04-07 22:21:06,304 INFO [main.py:643]
{rank 0/100} MD step = 275100 step time: 00:00:00.036852 Performance: 126.572 ns/day 0.190 hours/ns 7.325 steps/s 2023-04-07 22:21:15,792 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 275100 55020 49.755 -36169 5453.2 -41623 -41623 3.2211 2.3273 0.90682 4.4195e+05 2023-04-07 22:21:20,508 INFO [main.py:643]
{rank 0/100} MD step = 275200 step time: 00:00:00.017933 Performance: 126.570 ns/day 0.190 hours/ns 7.325 steps/s 2023-04-07 22:21:27,872 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 275200 55040 50.241 -36195 5506.4 -41701 -41701 3.2241 2.3279 0.90641 4.4211e+05 2023-04-07 22:21:29,711 INFO [main.py:643]
{rank 0/100} MD step = 275300 step time: 00:00:00.017875 Performance: 126.585 ns/day 0.190 hours/ns 7.326 steps/s 2023-04-07 22:21:34,244 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 275300 55060 51.006 -36187 5590.3 -41778 -41778 3.2266 2.3283 0.90771 4.4226e+05 2023-04-07 22:21:36,042 INFO [main.py:643]
{rank 0/100} MD step = 275400 step time: 00:00:00.017967 Performance: 126.609 ns/day 0.190 hours/ns 7.327 steps/s 2023-04-07 22:21:37,219 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 275400 55080 49.991 -36181 5479.1 -41660 -41660 3.2322 2.3293 0.90761 4.4242e+05 2023-04-07 22:21:39,140 INFO [main.py:643]
{rank 0/100} MD step = 275500 step time: 00:00:00.017999 Performance: 126.645 ns/day 0.190 hours/ns 7.329 steps/s 2023-04-07 22:21:53,745 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 275500 55100 50.146 -36196 5496 -41692 -41692 3.234 2.3304 0.90822 4.426e+05 2023-04-07 22:21:55,664 INFO [main.py:643]
{rank 0/100} MD step = 275600 step time: 00:00:00.018002 Performance: 126.635 ns/day 0.190 hours/ns 7.328 steps/s 2023-04-07 22:22:00,159 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 275600 55120 49.969 -36228 5476.6 -41705 -41705 3.2378 2.3315 0.9075 4.4273e+05 2023-04-07 22:22:02,059 INFO [main.py:643]
{rank 0/100} MD step = 275700 step time: 00:00:00.017986 Performance: 126.660 ns/day 0.189 hours/ns 7.330 steps/s 2023-04-07 22:22:06,780 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 275700 55140 49.773 -36324 5455.2 -41779 -41779 3.2392 2.3317 0.90718 4.4288e+05 2023-04-07 22:22:08,594 INFO [main.py:643]
{rank 0/100} MD step = 275800 step time: 00:00:00.018080 Performance: 126.684 ns/day 0.189 hours/ns 7.331 steps/s 2023-04-07 22:22:21,569 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 275800 55160 49.61 -36282 5437.3 -41720 -41720 3.2413 2.3325 0.90919 4.4304e+05 2023-04-07 22:22:24,320 INFO [main.py:643]
{rank 0/100} MD step = 275900 step time: 00:00:00.018212 Performance: 126.677 ns/day 0.189 hours/ns 7.331 steps/s 2023-04-07 22:22:40,873 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 275900 55180 49.946 -36157 5474.2 -41631 -41631 3.244 2.3317 0.90951 4.432e+05 2023-04-07 22:22:42,825 INFO [main.py:643]
{rank 0/100} MD step = 276000 step time: 00:00:00.018066 Performance: 126.660 ns/day 0.189 hours/ns 7.330 steps/s 2023-04-07 22:22:47,666 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 276000 55200 49.363 -36238 5410.2 -41648 -41648 3.2452 2.3322 0.90967 4.4337e+05 2023-04-07 22:22:49,557 INFO [main.py:643]
{rank 0/100} MD step = 276100 step time: 00:00:00.018169 Performance: 126.684 ns/day 0.189 hours/ns 7.331 steps/s 2023-04-07 22:22:58,167 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 276100 55220 50.603 -36155 5546.2 -41701 -41701 3.2499 2.335 0.9099 4.4351e+05 2023-04-07 22:23:00,039 INFO [main.py:643]
{rank 0/100} MD step = 276200 step time: 00:00:00.018084 Performance: 126.694 ns/day 0.189 hours/ns 7.332 steps/s 2023-04-07 22:23:16,889 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 276200 55240 50.052 -36125 5485.7 -41611 -41611 3.2529 2.3354 0.90912 4.4369e+05 2023-04-07 22:23:18,715 INFO [main.py:643]
{rank 0/100} MD step = 276300 step time: 00:00:00.017992 Performance: 126.677 ns/day 0.189 hours/ns 7.331 steps/s 2023-04-07 22:23:36,477 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 276300 55260 49.382 -36150 5412.3 -41563 -41563 3.2548 2.3354 0.91087 4.4386e+05 2023-04-07 22:23:38,578 INFO [main.py:643]
{rank 0/100} MD step = 276400 step time: 00:00:00.018133 Performance: 126.656 ns/day 0.189 hours/ns 7.330 steps/s 2023-04-07 22:23:43,073 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 276400 55280 50.596 -36109 5545.4 -41655 -41655 3.2593 2.3353 0.91233 4.4401e+05 2023-04-07 22:23:44,964 INFO [main.py:643]
{rank 0/100} MD step = 276500 step time: 00:00:00.018006 Performance: 126.681 ns/day 0.189 hours/ns 7.331 steps/s 2023-04-07 22:23:49,889 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 276500 55300 49.543 -36192 5430 -41622 -41622 3.2605 2.3369 0.91173 4.442e+05 2023-04-07 22:23:51,816 INFO [main.py:643]
{rank 0/100} MD step = 276600 step time: 00:00:00.018032 Performance: 126.703 ns/day 0.189 hours/ns 7.332 steps/s 2023-04-07 22:23:55,802 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 276600 55320 49.999 -36256 5480 -41736 -41736 3.2645 2.3383 0.9114 4.4432e+05 2023-04-07 22:23:57,633 INFO [main.py:643]
{rank 0/100} MD step = 276700 step time: 00:00:00.017995 Performance: 126.730 ns/day 0.189 hours/ns 7.334 steps/s 2023-04-07 22:23:58,831 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 276700 55340 49.534 -36156 5429 -41585 -41585 3.264 2.3391 0.91275 4.4452e+05 2023-04-07 22:24:00,651 INFO [main.py:643]
{rank 0/100} MD step = 276800 step time: 00:00:00.018037 Performance: 126.765 ns/day 0.189 hours/ns 7.336 steps/s 2023-04-07 22:24:01,855 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 276800 55360 50.959 -36147 5585.2 -41732 -41732 3.2651 2.3393 0.91293 4.4467e+05 2023-04-07 22:24:03,730 INFO [main.py:643]
{rank 0/100} MD step = 276900 step time: 00:00:00.017983 Performance: 126.801 ns/day 0.189 hours/ns 7.338 steps/s 2023-04-07 22:24:08,673 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 276900 55380 50.362 -36208 5519.8 -41728 -41728 3.2648 2.3391 0.9118 4.4481e+05 2023-04-07 22:24:10,514 INFO [main.py:643]
{rank 0/100} MD step = 277000 step time: 00:00:00.018106 Performance: 126.824 ns/day 0.189 hours/ns 7.339 steps/s 2023-04-07 22:24:11,756 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 277000 55400 50.025 -36283 5482.8 -41766 -41766 3.2674 2.34 0.91258 4.4496e+05 2023-04-07 22:24:13,562 INFO [main.py:643]
{rank 0/100} MD step = 277100 step time: 00:00:00.018022 Performance: 126.859 ns/day 0.189 hours/ns 7.341 steps/s 2023-04-07 22:24:17,875 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 277100 55420 49.647 -36326 5441.4 -41767 -41767 3.2702 2.3405 0.91449 4.451e+05 2023-04-07 22:24:19,748 INFO [main.py:643]
{rank 0/100} MD step = 277200 step time: 00:00:00.017971 Performance: 126.884 ns/day 0.189 hours/ns 7.343 steps/s 2023-04-07 22:24:32,222 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 277200 55440 49.813 -36248 5459.5 -41707 -41707 3.2713 2.3399 0.9154 4.4528e+05 2023-04-07 22:24:34,126 INFO [main.py:643]
{rank 0/100} MD step = 277300 step time: 00:00:00.017994 Performance: 126.882 ns/day 0.189 hours/ns 7.343 steps/s 2023-04-07 22:24:43,108 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 277300 55460 49.422 -36281 5416.8 -41697 -41697 3.2746 2.3409 0.91641 4.4542e+05 2023-04-07 22:24:44,990 INFO [main.py:643]
{rank 0/100} MD step = 277400 step time: 00:00:00.017836 Performance: 126.891 ns/day 0.189 hours/ns 7.343 steps/s 2023-04-07 22:24:54,148 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 277400 55480 49.409 -36271 5415.3 -41686 -41686 3.2795 2.3422 0.91458 4.456e+05 2023-04-07 22:24:55,941 INFO [main.py:643]
{rank 0/100} MD step = 277500 step time: 00:00:00.017979 Performance: 126.900 ns/day 0.189 hours/ns 7.344 steps/s 2023-04-07 22:25:04,550 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 277500 55500 49.263 -36352 5399.3 -41751 -41751 3.283 2.3445 0.91342 4.4575e+05 2023-04-07 22:25:06,476 INFO [main.py:643]
{rank 0/100} MD step = 277600 step time: 00:00:00.017984 Performance: 126.910 ns/day 0.189 hours/ns 7.344 steps/s 2023-04-07 22:25:20,135 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 277600 55520 50.961 -36048 5585.4 -41633 -41633 3.2872 2.3448 0.9137 4.4593e+05 2023-04-07 22:25:22,208 INFO [main.py:643]
{rank 0/100} MD step = 277700 step time: 00:00:00.018130 Performance: 126.903 ns/day 0.189 hours/ns 7.344 steps/s 2023-04-07 22:25:30,493 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 277700 55540 50.2 -36206 5502 -41708 -41708 3.2886 2.3462 0.91498 4.4608e+05 2023-04-07 22:25:36,103 INFO [main.py:643]
{rank 0/100} MD step = 277800 step time: 00:00:00.017891 Performance: 126.902 ns/day 0.189 hours/ns 7.344 steps/s 2023-04-07 22:25:45,329 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 277800 55560 50.438 -36138 5528.1 -41666 -41666 3.2921 2.3478 0.91452 4.4621e+05 2023-04-07 22:25:47,165 INFO [main.py:643]
{rank 0/100} MD step = 277900 step time: 00:00:00.017919 Performance: 126.911 ns/day 0.189 hours/ns 7.344 steps/s 2023-04-07 22:26:00,368 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 277900 55580 49.935 -36257 5472.9 -41730 -41730 3.2931 2.3483 0.91588 4.4635e+05 2023-04-07 22:26:02,233 INFO [main.py:643]
{rank 0/100} MD step = 278000 step time: 00:00:00.018230 Performance: 126.906 ns/day 0.189 hours/ns 7.344 steps/s 2023-04-07 22:26:32,399 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 278000 55600 50.581 -36087 5543.8 -41631 -41631 3.2955 2.3485 0.91822 4.4651e+05 2023-04-07 22:26:34,422 INFO [main.py:643]
{rank 0/100} MD step = 278100 step time: 00:00:00.018093 Performance: 126.844 ns/day 0.189 hours/ns 7.340 steps/s 2023-04-07 22:26:48,211 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 278100 55620 49.675 -36246 5444.4 -41690 -41690 3.2977 2.3476 0.91719 4.4669e+05 2023-04-07 22:26:53,398 INFO [main.py:643]
{rank 0/100} MD step = 278200 step time: 00:00:00.018082 Performance: 126.826 ns/day 0.189 hours/ns 7.339 steps/s 2023-04-07 22:27:02,501 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 278200 55640 50.734 -36155 5560.5 -41716 -41716 3.2981 2.3486 0.9183 4.4683e+05 2023-04-07 22:27:08,463 INFO [main.py:643]
{rank 0/100} MD step = 278300 step time: 00:00:00.018007 Performance: 126.821 ns/day 0.189 hours/ns 7.339 steps/s 2023-04-07 22:27:34,641 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 278300 55660 50.08 -36140 5488.8 -41629 -41629 3.2997 2.3489 0.92037 4.4701e+05 2023-04-07 22:27:36,593 INFO [main.py:643]
{rank 0/100} MD step = 278400 step time: 00:00:00.017939 Performance: 126.773 ns/day 0.189 hours/ns 7.336 steps/s 2023-04-07 22:27:54,203 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 278400 55680 50.144 -36122 5495.9 -41618 -41618 3.3006 2.3492 0.92228 4.4717e+05 2023-04-07 22:28:00,057 INFO [main.py:643]
{rank 0/100} MD step = 278500 step time: 00:00:00.017936 Performance: 126.740 ns/day 0.189 hours/ns 7.334 steps/s 2023-04-07 22:28:15,608 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 278500 55700 50.272 -36148 5509.8 -41657 -41657 3.3023 2.3496 0.92245 4.4733e+05 2023-04-07 22:28:17,453 INFO [main.py:643]
{rank 0/100} MD step = 278600 step time: 00:00:00.017939 Performance: 126.727 ns/day 0.189 hours/ns 7.334 steps/s 2023-04-07 22:28:44,155 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 278600 55720 50.107 -36143 5491.8 -41635 -41635 3.3045 2.3507 0.92334 4.4751e+05 2023-04-07 22:28:49,626 INFO [main.py:643]
{rank 0/100} MD step = 278700 step time: 00:00:00.017962 Performance: 126.665 ns/day 0.189 hours/ns 7.330 steps/s 2023-04-07 22:29:11,175 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 278700 55740 50.113 -36243 5492.4 -41736 -41736 3.3056 2.3536 0.92372 4.4767e+05 2023-04-07 22:29:13,059 INFO [main.py:643]
{rank 0/100} MD step = 278800 step time: 00:00:00.017991 Performance: 126.633 ns/day 0.190 hours/ns 7.328 steps/s 2023-04-07 22:29:25,079 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 278800 55760 49.485 -36251 5423.7 -41675 -41675 3.3101 2.3558 0.92459 4.4785e+05 2023-04-07 22:29:26,965 INFO [main.py:643]
{rank 0/100} MD step = 278900 step time: 00:00:00.017849 Performance: 126.632 ns/day 0.190 hours/ns 7.328 steps/s 2023-04-07 22:30:00,813 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 278900 55780 49.536 -36274 5429.2 -41704 -41704 3.3126 2.3572 0.92535 4.4799e+05 2023-04-07 22:30:02,727 INFO [main.py:643]
{rank 0/100} MD step = 279000 step time: 00:00:00.017985 Performance: 126.558 ns/day 0.190 hours/ns 7.324 steps/s 2023-04-07 22:30:07,696 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 279000 55800 50.356 -36250 5519.1 -41769 -41769 3.314 2.3569 0.92584 4.4813e+05 2023-04-07 22:30:09,666 INFO [main.py:643]
{rank 0/100} MD step = 279100 step time: 00:00:00.018053 Performance: 126.581 ns/day 0.190 hours/ns 7.325 steps/s 2023-04-07 22:30:14,138 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 279100 55820 49.056 -36343 5376.6 -41720 -41720 3.3161 2.3575 0.92548 4.4831e+05 2023-04-07 22:30:15,995 INFO [main.py:643]
{rank 0/100} MD step = 279200 step time: 00:00:00.017930 Performance: 126.605 ns/day 0.190 hours/ns 7.327 steps/s 2023-04-07 22:30:17,129 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 279200 55840 50.031 -36224 5483.5 -41707 -41707 3.317 2.359 0.9251 4.4848e+05 2023-04-07 22:30:19,024 INFO [main.py:643]
{rank 0/100} MD step = 279300 step time: 00:00:00.018073 Performance: 126.640 ns/day 0.190 hours/ns 7.329 steps/s 2023-04-07 22:30:26,559 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 279300 55860 49.945 -36282 5474.1 -41756 -41756 3.3196 2.3599 0.92636 4.4865e+05 2023-04-07 22:30:28,427 INFO [main.py:643]
{rank 0/100} MD step = 279400 step time: 00:00:00.018247 Performance: 126.654 ns/day 0.189 hours/ns 7.330 steps/s 2023-04-07 22:30:33,977 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 279400 55880 49.755 -36230 5453.2 -41684 -41684 3.3239 2.3602 0.9266 4.4881e+05 2023-04-07 22:30:36,017 INFO [main.py:643]
{rank 0/100} MD step = 279500 step time: 00:00:00.018410 Performance: 126.675 ns/day 0.189 hours/ns 7.331 steps/s 2023-04-07 22:30:39,984 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 279500 55900 49.579 -36342 5433.9 -41776 -41776 3.3277 2.361 0.92598 4.4896e+05 2023-04-07 22:30:41,848 INFO [main.py:643]
{rank 0/100} MD step = 279600 step time: 00:00:00.018034 Performance: 126.701 ns/day 0.189 hours/ns 7.332 steps/s 2023-04-07 22:31:00,520 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 279600 55920 49.867 -36231 5465.5 -41696 -41696 3.3266 2.3608 0.92622 4.4914e+05 2023-04-07 22:31:02,392 INFO [main.py:643]
{rank 0/100} MD step = 279700 step time: 00:00:00.018156 Performance: 126.678 ns/day 0.189 hours/ns 7.331 steps/s 2023-04-07 22:31:26,672 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 279700 55940 50.647 -36179 5551 -41730 -41730 3.3303 2.3625 0.92543 4.4927e+05 2023-04-07 22:31:28,561 INFO [main.py:643]
{rank 0/100} MD step = 279800 step time: 00:00:00.018109 Performance: 126.636 ns/day 0.190 hours/ns 7.328 steps/s 2023-04-07 22:31:41,743 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 279800 55960 49.202 -36437 5392.6 -41830 -41830 3.3348 2.3623 0.92666 4.4941e+05 2023-04-07 22:31:43,738 INFO [main.py:643]
{rank 0/100} MD step = 279900 step time: 00:00:00.017977 Performance: 126.631 ns/day 0.190 hours/ns 7.328 steps/s 2023-04-07 22:31:48,781 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 279900 55980 50.653 -36131 5551.6 -41683 -41683 3.3347 2.3614 0.92512 4.4955e+05 2023-04-07 22:31:50,650 INFO [main.py:643]
{rank 0/100} MD step = 280000 step time: 00:00:00.018041 Performance: 126.653 ns/day 0.189 hours/ns 7.329 steps/s 2023-04-07 22:32:11,789 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 280000 56000 49.838 -36152 5462.3 -41614 -41614 3.3376 2.3628 0.92494 4.4971e+05 2023-04-07 22:32:22,083 INFO [main.py:643]
{rank 0/100} MD step = 280100 step time: 00:00:00.017799 Performance: 126.594 ns/day 0.190 hours/ns 7.326 steps/s 2023-04-07 22:32:27,446 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 280100 56020 50.502 -36191 5535.1 -41726 -41726 3.3389 2.365 0.92579 4.4985e+05 2023-04-07 22:32:29,442 INFO [main.py:643]
{rank 0/100} MD step = 280200 step time: 00:00:00.017969 Performance: 126.615 ns/day 0.190 hours/ns 7.327 steps/s 2023-04-07 22:32:37,881 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 280200 56040 50.197 -36107 5501.6 -41609 -41609 3.3415 2.3661 0.92729 4.5004e+05 2023-04-07 22:32:39,698 INFO [main.py:643]
{rank 0/100} MD step = 280300 step time: 00:00:00.017945 Performance: 126.626 ns/day 0.190 hours/ns 7.328 steps/s 2023-04-07 22:32:52,589 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 280300 56060 50.214 -36178 5503.5 -41681 -41681 3.3471 2.366 0.92779 4.502e+05 2023-04-07 22:32:54,495 INFO [main.py:643]
{rank 0/100} MD step = 280400 step time: 00:00:00.018204 Performance: 126.623 ns/day 0.190 hours/ns 7.328 steps/s 2023-04-07 22:33:12,017 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 280400 56080 50.118 -36204 5493 -41697 -41697 3.3492 2.3672 0.92744 4.5034e+05 2023-04-07 22:33:13,874 INFO [main.py:643]
{rank 0/100} MD step = 280500 step time: 00:00:00.017825 Performance: 126.604 ns/day 0.190 hours/ns 7.327 steps/s 2023-04-07 22:33:15,075 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 280500 56100 49.934 -36301 5472.8 -41774 -41774 3.3524 2.3671 0.92803 4.505e+05 2023-04-07 22:33:17,059 INFO [main.py:643]
{rank 0/100} MD step = 280600 step time: 00:00:00.017984 Performance: 126.638 ns/day 0.190 hours/ns 7.329 steps/s 2023-04-07 22:33:37,469 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 280600 56120 49.351 -36234 5408.9 -41643 -41643 3.354 2.3674 0.92868 4.507e+05 2023-04-07 22:33:39,388 INFO [main.py:643]
{rank 0/100} MD step = 280700 step time: 00:00:00.017988 Performance: 126.610 ns/day 0.190 hours/ns 7.327 steps/s 2023-04-07 22:33:46,779 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 280700 56140 50.901 -36186 5578.8 -41765 -41765 3.3561 2.3692 0.92984 4.5084e+05 2023-04-07 22:33:48,668 INFO [main.py:643]
{rank 0/100} MD step = 280800 step time: 00:00:00.018031 Performance: 126.624 ns/day 0.190 hours/ns 7.328 steps/s 2023-04-07 22:34:01,543 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 280800 56160 50.883 -36119 5576.8 -41696 -41696 3.3586 2.3705 0.92931 4.5102e+05 2023-04-07 22:34:03,476 INFO [main.py:643]
{rank 0/100} MD step = 280900 step time: 00:00:00.018049 Performance: 126.620 ns/day 0.190 hours/ns 7.328 steps/s 2023-04-07 22:34:12,198 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 280900 56180 49.169 -36374 5389 -41763 -41763 3.3597 2.3744 0.92963 4.5115e+05 2023-04-07 22:34:14,255 INFO [main.py:643]
{rank 0/100} MD step = 281000 step time: 00:00:00.017990 Performance: 126.630 ns/day 0.190 hours/ns 7.328 steps/s 2023-04-07 22:34:23,067 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 281000 56200 50.299 -36100 5512.9 -41612 -41612 3.3631 2.3747 0.9304 4.5135e+05 2023-04-07 22:34:25,014 INFO [main.py:643]
{rank 0/100} MD step = 281100 step time: 00:00:00.018155 Performance: 126.639 ns/day 0.190 hours/ns 7.329 steps/s 2023-04-07 22:34:33,760 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 281100 56220 49.929 -36155 5472.3 -41628 -41628 3.3657 2.3745 0.93099 4.5152e+05 2023-04-07 22:34:35,634 INFO [main.py:643]
{rank 0/100} MD step = 281200 step time: 00:00:00.017868 Performance: 126.649 ns/day 0.189 hours/ns 7.329 steps/s 2023-04-07 22:34:44,724 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 281200 56240 50.12 -36114 5493.2 -41608 -41608 3.3676 2.3739 0.93173 4.5167e+05 2023-04-07 22:34:46,584 INFO [main.py:643]
{rank 0/100} MD step = 281300 step time: 00:00:00.017920 Performance: 126.658 ns/day 0.189 hours/ns 7.330 steps/s 2023-04-07 22:35:08,757 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 281300 56260 49.851 -36064 5463.7 -41527 -41527 3.3695 2.3749 0.93124 4.5183e+05 2023-04-07 22:35:10,554 INFO [main.py:643]
{rank 0/100} MD step = 281400 step time: 00:00:00.017935 Performance: 126.624 ns/day 0.190 hours/ns 7.328 steps/s 2023-04-07 22:35:23,210 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 281400 56280 49.387 -36290 5412.9 -41703 -41703 3.3726 2.3748 0.93003 4.5195e+05 2023-04-07 22:35:25,150 INFO [main.py:643]
{rank 0/100} MD step = 281500 step time: 00:00:00.017915 Performance: 126.621 ns/day 0.190 hours/ns 7.328 steps/s 2023-04-07 22:35:38,349 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 281500 56300 49.671 -36289 5444 -41733 -41733 3.374 2.3765 0.92941 4.5212e+05 2023-04-07 22:35:40,342 INFO [main.py:643]
{rank 0/100} MD step = 281600 step time: 00:00:00.018011 Performance: 126.616 ns/day 0.190 hours/ns 7.327 steps/s 2023-04-07 22:35:44,722 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 281600 56320 50.188 -36110 5500.7 -41610 -41610 3.3775 2.3776 0.93043 4.5232e+05 2023-04-07 22:35:46,561 INFO [main.py:643]
{rank 0/100} MD step = 281700 step time: 00:00:00.018029 Performance: 126.640 ns/day 0.190 hours/ns 7.329 steps/s 2023-04-07 22:36:08,093 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 281700 56340 49.904 -36270 5469.6 -41740 -41740 3.3782 2.3776 0.93083 4.5246e+05 2023-04-07 22:36:10,460 INFO [main.py:643]
{rank 0/100} MD step = 281800 step time: 00:00:00.017950 Performance: 126.606 ns/day 0.190 hours/ns 7.327 steps/s 2023-04-07 22:36:11,718 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 281800 56360 49.433 -36296 5417.9 -41714 -41714 3.3798 2.3777 0.92986 4.526e+05 2023-04-07 22:36:13,610 INFO [main.py:643]
{rank 0/100} MD step = 281900 step time: 00:00:00.018190 Performance: 126.641 ns/day 0.190 hours/ns 7.329 steps/s 2023-04-07 22:36:23,170 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 281900 56380 50.034 -36182 5483.8 -41666 -41666 3.383 2.3796 0.93036 4.5278e+05 2023-04-07 22:36:25,144 INFO [main.py:643]
{rank 0/100} MD step = 282000 step time: 00:00:00.018212 Performance: 126.648 ns/day 0.190 hours/ns 7.329 steps/s 2023-04-07 22:36:47,065 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 282000 56400 50.449 -36199 5529.3 -41728 -41728 3.3856 2.3812 0.93011 4.5296e+05 2023-04-07 22:36:52,650 INFO [main.py:643]
{rank 0/100} MD step = 282100 step time: 00:00:00.017858 Performance: 126.602 ns/day 0.190 hours/ns 7.327 steps/s 2023-04-07 22:37:06,321 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 282100 56420 49.715 -36306 5448.8 -41754 -41754 3.3869 2.3818 0.93075 4.5309e+05 2023-04-07 22:37:08,141 INFO [main.py:643]
{rank 0/100} MD step = 282200 step time: 00:00:00.018218 Performance: 126.596 ns/day 0.190 hours/ns 7.326 steps/s 2023-04-07 22:37:25,750 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 282200 56440 50.142 -36133 5495.6 -41629 -41629 3.3906 2.3838 0.93281 4.533e+05 2023-04-07 22:37:27,639 INFO [main.py:643]
{rank 0/100} MD step = 282300 step time: 00:00:00.018105 Performance: 126.577 ns/day 0.190 hours/ns 7.325 steps/s 2023-04-07 22:37:44,864 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 282300 56460 49.463 -36302 5421.2 -41723 -41723 3.3937 2.3855 0.9338 4.5347e+05 2023-04-07 22:37:50,580 INFO [main.py:643]
{rank 0/100} MD step = 282400 step time: 00:00:00.018183 Performance: 126.547 ns/day 0.190 hours/ns 7.323 steps/s 2023-04-07 22:37:55,286 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 282400 56480 50.098 -36131 5490.8 -41621 -41621 3.3945 2.3858 0.93301 4.5364e+05 2023-04-07 22:37:57,248 INFO [main.py:643]
{rank 0/100} MD step = 282500 step time: 00:00:00.017956 Performance: 126.569 ns/day 0.190 hours/ns 7.325 steps/s 2023-04-07 22:38:10,581 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 282500 56500 49.84 -36296 5462.5 -41758 -41758 3.3991 2.3868 0.93219 4.5379e+05 2023-04-07 22:38:12,595 INFO [main.py:643]
{rank 0/100} MD step = 282600 step time: 00:00:00.018148 Performance: 126.564 ns/day 0.190 hours/ns 7.324 steps/s 2023-04-07 22:38:29,615 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 282600 56520 49.34 -36284 5407.7 -41692 -41692 3.4019 2.3878 0.93102 4.5397e+05 2023-04-07 22:38:31,522 INFO [main.py:643]
{rank 0/100} MD step = 282700 step time: 00:00:00.018008 Performance: 126.547 ns/day 0.190 hours/ns 7.323 steps/s 2023-04-07 22:38:36,313 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 282700 56540 49.688 -36196 5445.9 -41642 -41642 3.405 2.3879 0.93276 4.5415e+05 2023-04-07 22:38:38,250 INFO [main.py:643]
{rank 0/100} MD step = 282800 step time: 00:00:00.017940 Performance: 126.569 ns/day 0.190 hours/ns 7.325 steps/s 2023-04-07 22:38:46,787 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 282800 56560 50.196 -36160 5501.5 -41662 -41662 3.4058 2.3886 0.93346 4.5429e+05 2023-04-07 22:38:48,636 INFO [main.py:643]
{rank 0/100} MD step = 282900 step time: 00:00:00.018023 Performance: 126.580 ns/day 0.190 hours/ns 7.325 steps/s 2023-04-07 22:38:53,690 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 282900 56580 50.626 -36100 5548.7 -41649 -41649 3.4096 2.3904 0.93356 4.5448e+05 2023-04-07 22:38:56,498 INFO [main.py:643]
{rank 0/100} MD step = 283000 step time: 00:00:00.017991 Performance: 126.599 ns/day 0.190 hours/ns 7.326 steps/s 2023-04-07 22:39:16,974 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 283000 56600 50.688 -36113 5555.5 -41668 -41668 3.4127 2.393 0.93463 4.5461e+05 2023-04-07 22:39:22,942 INFO [main.py:643]
{rank 0/100} MD step = 283100 step time: 00:00:00.017744 Performance: 126.557 ns/day 0.190 hours/ns 7.324 steps/s 2023-04-07 22:39:31,932 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 283100 56620 49.87 -36229 5465.8 -41695 -41695 3.4153 2.3932 0.93396 4.548e+05 2023-04-07 22:39:33,792 INFO [main.py:643]
{rank 0/100} MD step = 283200 step time: 00:00:00.018126 Performance: 126.566 ns/day 0.190 hours/ns 7.324 steps/s 2023-04-07 22:39:34,832 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 283200 56640 51.016 -36152 5591.4 -41744 -41744 3.419 2.3929 0.9342 4.5493e+05 2023-04-07 22:39:36,815 INFO [main.py:643]
{rank 0/100} MD step = 283300 step time: 00:00:00.017985 Performance: 126.601 ns/day 0.190 hours/ns 7.326 steps/s 2023-04-07 22:39:41,084 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 283300 56660 50.322 -36206 5515.4 -41721 -41721 3.4207 2.3923 0.93403 4.5507e+05 2023-04-07 22:39:42,979 INFO [main.py:643]
{rank 0/100} MD step = 283400 step time: 00:00:00.017988 Performance: 126.626 ns/day 0.190 hours/ns 7.328 steps/s 2023-04-07 22:40:00,015 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 283400 56680 50.087 -36191 5489.6 -41680 -41680 3.4197 2.3928 0.9343 4.5527e+05 2023-04-07 22:40:01,927 INFO [main.py:643]
{rank 0/100} MD step = 283500 step time: 00:00:00.017939 Performance: 126.608 ns/day 0.190 hours/ns 7.327 steps/s 2023-04-07 22:40:19,262 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 283500 56700 50.812 -36130 5569 -41699 -41699 3.4216 2.3926 0.93638 4.5543e+05 2023-04-07 22:40:21,281 INFO [main.py:643]
{rank 0/100} MD step = 283600 step time: 00:00:00.018090 Performance: 126.590 ns/day 0.190 hours/ns 7.326 steps/s 2023-04-07 22:40:39,092 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 283600 56720 49.778 -36197 5455.7 -41653 -41653 3.4264 2.3905 0.93578 4.5557e+05 2023-04-07 22:40:44,730 INFO [main.py:643]
{rank 0/100} MD step = 283700 step time: 00:00:00.019823 Performance: 126.558 ns/day 0.190 hours/ns 7.324 steps/s 2023-04-07 22:40:53,863 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 283700 56740 50.303 -36112 5513.3 -41625 -41625 3.427 2.3906 0.93611 4.5574e+05 2023-04-07 22:40:55,671 INFO [main.py:643]
{rank 0/100} MD step = 283800 step time: 00:00:00.018183 Performance: 126.566 ns/day 0.190 hours/ns 7.324 steps/s 2023-04-07 22:41:01,236 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 283800 56760 49.861 -36174 5464.8 -41639 -41639 3.4293 2.3907 0.93657 4.559e+05 2023-04-07 22:41:03,111 INFO [main.py:643]
{rank 0/100} MD step = 283900 step time: 00:00:00.018092 Performance: 126.587 ns/day 0.190 hours/ns 7.326 steps/s 2023-04-07 22:41:10,631 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 283900 56780 49.391 -36261 5413.3 -41674 -41674 3.4317 2.3908 0.93563 4.5607e+05 2023-04-07 22:41:12,898 INFO [main.py:643]
{rank 0/100} MD step = 284000 step time: 00:00:00.018084 Performance: 126.599 ns/day 0.190 hours/ns 7.326 steps/s 2023-04-07 22:41:17,801 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 284000 56800 49.852 -36329 5463.8 -41793 -41793 3.4355 2.3915 0.93694 4.5616e+05 2023-04-07 22:41:19,618 INFO [main.py:643]
{rank 0/100} MD step = 284100 step time: 00:00:00.018133 Performance: 126.622 ns/day 0.190 hours/ns 7.328 steps/s 2023-04-07 22:41:41,022 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 284100 56820 50.246 -36120 5507 -41627 -41627 3.4391 2.3923 0.93678 4.5634e+05 2023-04-07 22:41:42,872 INFO [main.py:643]
{rank 0/100} MD step = 284200 step time: 00:00:00.017989 Performance: 126.591 ns/day 0.190 hours/ns 7.326 steps/s 2023-04-07 22:41:51,861 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 284200 56840 50.047 -36216 5485.2 -41701 -41701 3.4411 2.3956 0.93822 4.5651e+05 2023-04-07 22:41:53,691 INFO [main.py:643]
{rank 0/100} MD step = 284300 step time: 00:00:00.018089 Performance: 126.600 ns/day 0.190 hours/ns 7.326 steps/s 2023-04-07 22:42:11,160 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 284300 56860 50.482 -36075 5532.9 -41608 -41608 3.4429 2.3971 0.94068 4.5666e+05 2023-04-07 22:42:13,100 INFO [main.py:643]
{rank 0/100} MD step = 284400 step time: 00:00:00.018209 Performance: 126.581 ns/day 0.190 hours/ns 7.325 steps/s 2023-04-07 22:42:26,038 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 284400 56880 50.247 -36284 5507.2 -41791 -41791 3.4449 2.3977 0.94043 4.5679e+05 2023-04-07 22:42:27,844 INFO [main.py:643]
{rank 0/100} MD step = 284500 step time: 00:00:00.020536 Performance: 126.577 ns/day 0.190 hours/ns 7.325 steps/s 2023-04-07 22:42:36,834 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 284500 56900 49.909 -36168 5470.1 -41638 -41638 3.4451 2.3994 0.94234 4.5699e+05 2023-04-07 22:42:38,707 INFO [main.py:643]
{rank 0/100} MD step = 284600 step time: 00:00:00.018040 Performance: 126.587 ns/day 0.190 hours/ns 7.326 steps/s 2023-04-07 22:42:52,345 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 284600 56920 49.744 -36176 5452 -41628 -41628 3.4468 2.4017 0.9432 4.5715e+05 2023-04-07 22:42:54,181 INFO [main.py:643]
{rank 0/100} MD step = 284700 step time: 00:00:00.018064 Performance: 126.581 ns/day 0.190 hours/ns 7.325 steps/s 2023-04-07 22:43:03,613 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 284700 56940 50.723 -36019 5559.3 -41578 -41578 3.4508 2.4023 0.9448 4.5733e+05 2023-04-07 22:43:05,445 INFO [main.py:643]
{rank 0/100} MD step = 284800 step time: 00:00:00.017983 Performance: 126.588 ns/day 0.190 hours/ns 7.326 steps/s 2023-04-07 22:43:21,839 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 284800 56960 50.139 -36241 5495.3 -41736 -41736 3.4495 2.4026 0.94558 4.5744e+05 2023-04-07 22:43:23,764 INFO [main.py:643]
{rank 0/100} MD step = 284900 step time: 00:00:00.018151 Performance: 126.573 ns/day 0.190 hours/ns 7.325 steps/s 2023-04-07 22:43:32,696 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 284900 56980 50.582 -36176 5543.8 -41720 -41720 3.4516 2.4039 0.94578 4.5762e+05 2023-04-07 22:43:34,581 INFO [main.py:643]
{rank 0/100} MD step = 285000 step time: 00:00:00.018038 Performance: 126.582 ns/day 0.190 hours/ns 7.325 steps/s 2023-04-07 22:43:48,110 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 285000 57000 49.837 -36223 5462.2 -41686 -41686 3.4533 2.4048 0.94536 4.5778e+05 2023-04-07 22:43:49,955 INFO [main.py:643]
{rank 0/100} MD step = 285100 step time: 00:00:00.018093 Performance: 126.577 ns/day 0.190 hours/ns 7.325 steps/s 2023-04-07 22:44:11,200 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 285100 57020 50.209 -36159 5502.9 -41662 -41662 3.4562 2.4058 0.94577 4.5794e+05 2023-04-07 22:44:13,102 INFO [main.py:643]
{rank 0/100} MD step = 285200 step time: 00:00:00.018068 Performance: 126.546 ns/day 0.190 hours/ns 7.323 steps/s 2023-04-07 22:44:14,211 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 285200 57040 50.02 -36203 5482.3 -41685 -41685 3.4587 2.4058 0.94611 4.5811e+05 2023-04-07 22:44:16,079 INFO [main.py:643]
{rank 0/100} MD step = 285300 step time: 00:00:00.017978 Performance: 126.581 ns/day 0.190 hours/ns 7.325 steps/s 2023-04-07 22:44:24,674 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 285300 57060 49.697 -36223 5446.8 -41670 -41670 3.4627 2.4064 0.94663 4.5826e+05 2023-04-07 22:44:26,470 INFO [main.py:643]
{rank 0/100} MD step = 285400 step time: 00:00:00.018027 Performance: 126.591 ns/day 0.190 hours/ns 7.326 steps/s 2023-04-07 22:44:39,135 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 285400 57080 50.333 -36098 5516.6 -41614 -41614 3.4647 2.4062 0.94608 4.5843e+05 2023-04-07 22:44:41,141 INFO [main.py:643]
{rank 0/100} MD step = 285500 step time: 00:00:00.017972 Performance: 126.588 ns/day 0.190 hours/ns 7.326 steps/s 2023-04-07 22:44:58,537 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 285500 57100 50.308 -36068 5513.9 -41582 -41582 3.4695 2.4058 0.94701 4.586e+05 2023-04-07 22:45:00,519 INFO [main.py:643]
{rank 0/100} MD step = 285600 step time: 00:00:00.018125 Performance: 126.569 ns/day 0.190 hours/ns 7.325 steps/s 2023-04-07 22:45:22,173 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 285600 57120 50.586 -36170 5544.3 -41715 -41715 3.4712 2.4058 0.94662 4.5875e+05 2023-04-07 22:45:24,091 INFO [main.py:643]
{rank 0/100} MD step = 285700 step time: 00:00:00.018011 Performance: 126.537 ns/day 0.190 hours/ns 7.323 steps/s 2023-04-07 22:45:45,694 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 285700 57140 50.07 -36241 5487.7 -41729 -41729 3.472 2.4067 0.94558 4.589e+05 2023-04-07 22:45:47,719 INFO [main.py:643]
{rank 0/100} MD step = 285800 step time: 00:00:00.017976 Performance: 126.505 ns/day 0.190 hours/ns 7.321 steps/s 2023-04-07 22:46:14,047 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 285800 57160 50.091 -36190 5490 -41680 -41680 3.4761 2.4079 0.94627 4.5906e+05 2023-04-07 22:46:16,131 INFO [main.py:643]
{rank 0/100} MD step = 285900 step time: 00:00:00.018036 Performance: 126.457 ns/day 0.190 hours/ns 7.318 steps/s 2023-04-07 22:46:24,227 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 285900 57180 49.655 -36260 5442.3 -41702 -41702 3.4787 2.4084 0.94725 4.5923e+05 2023-04-07 22:46:26,271 INFO [main.py:643]
{rank 0/100} MD step = 286000 step time: 00:00:00.017998 Performance: 126.468 ns/day 0.190 hours/ns 7.319 steps/s 2023-04-07 22:46:30,859 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 286000 57200 48.944 -36341 5364.3 -41705 -41705 3.4812 2.4091 0.94855 4.5939e+05 2023-04-07 22:46:32,829 INFO [main.py:643]
{rank 0/100} MD step = 286100 step time: 00:00:00.018108 Performance: 126.491 ns/day 0.190 hours/ns 7.320 steps/s 2023-04-07 22:46:41,968 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 286100 57220 49.421 -36313 5416.6 -41730 -41730 3.4861 2.4096 0.95073 4.5954e+05 2023-04-07 22:46:44,069 INFO [main.py:643]
{rank 0/100} MD step = 286200 step time: 00:00:00.017980 Performance: 126.499 ns/day 0.190 hours/ns 7.321 steps/s 2023-04-07 22:46:56,673 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 286200 57240 49.728 -36265 5450.2 -41716 -41716 3.4876 2.4103 0.95127 4.5971e+05 2023-04-07 22:46:58,600 INFO [main.py:643]
{rank 0/100} MD step = 286300 step time: 00:00:00.018437 Performance: 126.496 ns/day 0.190 hours/ns 7.320 steps/s 2023-04-07 22:47:11,853 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 286300 57260 49.293 -36183 5402.6 -41586 -41586 3.4892 2.4102 0.94855 4.5989e+05 2023-04-07 22:47:13,724 INFO [main.py:643]
{rank 0/100} MD step = 286400 step time: 00:00:00.018141 Performance: 126.492 ns/day 0.190 hours/ns 7.320 steps/s 2023-04-07 22:47:22,463 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 286400 57280 49.794 -36237 5457.5 -41695 -41695 3.4926 2.4097 0.94976 4.6005e+05 2023-04-07 22:47:28,256 INFO [main.py:643]
{rank 0/100} MD step = 286500 step time: 00:00:00.018015 Performance: 126.489 ns/day 0.190 hours/ns 7.320 steps/s 2023-04-07 22:47:37,494 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 286500 57300 50.716 -36147 5558.5 -41706 -41706 3.4959 2.4118 0.94937 4.6023e+05 2023-04-07 22:47:39,352 INFO [main.py:643]
{rank 0/100} MD step = 286600 step time: 00:00:00.018469 Performance: 126.497 ns/day 0.190 hours/ns 7.320 steps/s 2023-04-07 22:47:57,479 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 286600 57320 49.91 -36130 5470.2 -41601 -41601 3.5001 2.4137 0.95147 4.6043e+05 2023-04-07 22:47:59,312 INFO [main.py:643]
{rank 0/100} MD step = 286700 step time: 00:00:00.017766 Performance: 126.477 ns/day 0.190 hours/ns 7.319 steps/s 2023-04-07 22:48:11,853 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 286700 57340 50.07 -36148 5487.7 -41635 -41635 3.5028 2.4132 0.95365 4.6058e+05 2023-04-07 22:48:13,703 INFO [main.py:643]
{rank 0/100} MD step = 286800 step time: 00:00:00.018024 Performance: 126.475 ns/day 0.190 hours/ns 7.319 steps/s 2023-04-07 22:48:24,689 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 286800 57360 49.549 -36254 5430.6 -41685 -41685 3.5079 2.4137 0.95356 4.6074e+05 2023-04-07 22:48:26,600 INFO [main.py:643]
{rank 0/100} MD step = 286900 step time: 00:00:00.017896 Performance: 126.477 ns/day 0.190 hours/ns 7.319 steps/s 2023-04-07 22:48:52,474 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 286900 57380 49.527 -36284 5428.3 -41712 -41712 3.511 2.4135 0.95584 4.6091e+05 2023-04-07 22:48:54,315 INFO [main.py:643]
{rank 0/100} MD step = 287000 step time: 00:00:00.017872 Performance: 126.432 ns/day 0.190 hours/ns 7.317 steps/s 2023-04-07 22:48:55,517 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 287000 57400 49.063 -36296 5377.4 -41673 -41673 3.5126 2.4138 0.95596 4.6107e+05 2023-04-07 22:48:57,342 INFO [main.py:643]
{rank 0/100} MD step = 287100 step time: 00:00:00.017868 Performance: 126.466 ns/day 0.190 hours/ns 7.319 steps/s 2023-04-07 22:49:02,293 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 287100 57420 50.446 -36136 5528.9 -41665 -41665 3.5144 2.4143 0.95588 4.6124e+05 2023-04-07 22:49:04,086 INFO [main.py:643]
{rank 0/100} MD step = 287200 step time: 00:00:00.018054 Performance: 126.488 ns/day 0.190 hours/ns 7.320 steps/s 2023-04-07 22:49:08,693 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 287200 57440 49.494 -36363 5424.6 -41788 -41788 3.5143 2.415 0.95755 4.6138e+05 2023-04-07 22:49:10,532 INFO [main.py:643]
{rank 0/100} MD step = 287300 step time: 00:00:00.017931 Performance: 126.512 ns/day 0.190 hours/ns 7.321 steps/s 2023-04-07 22:49:14,342 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 287300 57460 50.021 -36165 5482.4 -41648 -41648 3.5162 2.4159 0.95903 4.6157e+05 2023-04-07 22:49:16,233 INFO [main.py:643]
{rank 0/100} MD step = 287400 step time: 00:00:00.017980 Performance: 126.537 ns/day 0.190 hours/ns 7.323 steps/s 2023-04-07 22:49:25,734 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 287400 57480 50.116 -36201 5492.8 -41693 -41693 3.5175 2.4173 0.95958 4.6172e+05 2023-04-07 22:49:27,613 INFO [main.py:643]
{rank 0/100} MD step = 287500 step time: 00:00:00.017883 Performance: 126.545 ns/day 0.190 hours/ns 7.323 steps/s 2023-04-07 22:49:41,304 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 287500 57500 50.495 -36223 5534.3 -41757 -41757 3.518 2.4196 0.9596 4.6185e+05 2023-04-07 22:49:43,143 INFO [main.py:643]
{rank 0/100} MD step = 287600 step time: 00:00:00.018044 Performance: 126.539 ns/day 0.190 hours/ns 7.323 steps/s 2023-04-07 22:50:03,787 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 287600 57520 49.572 -36214 5433.2 -41647 -41647 3.519 2.4209 0.96019 4.6203e+05 2023-04-07 22:50:05,598 INFO [main.py:643]
{rank 0/100} MD step = 287700 step time: 00:00:00.017962 Performance: 126.510 ns/day 0.190 hours/ns 7.321 steps/s 2023-04-07 22:50:10,387 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 287700 57540 49.903 -36153 5469.4 -41623 -41623 3.5205 2.4214 0.95944 4.6221e+05 2023-04-07 22:50:12,722 INFO [main.py:643]
{rank 0/100} MD step = 287800 step time: 00:00:00.018282 Performance: 126.531 ns/day 0.190 hours/ns 7.322 steps/s 2023-04-07 22:50:13,786 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 287800 57560 50.493 -36180 5534.1 -41714 -41714 3.5254 2.422 0.95957 4.6236e+05 2023-04-07 22:50:18,010 INFO [main.py:643]
{rank 0/100} MD step = 287900 step time: 00:00:00.017975 Performance: 126.558 ns/day 0.190 hours/ns 7.324 steps/s 2023-04-07 22:50:22,399 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 287900 57580 49.595 -36352 5435.7 -41788 -41788 3.5283 2.4236 0.96036 4.6254e+05 2023-04-07 22:50:24,647 INFO [main.py:643]
{rank 0/100} MD step = 288000 step time: 00:00:00.018365 Performance: 126.581 ns/day 0.190 hours/ns 7.325 steps/s 2023-04-07 22:51:02,168 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 288000 57600 49.499 -36147 5425.2 -41572 -41572 3.5321 2.4233 0.96043 4.6276e+05 2023-04-07 22:51:07,360 INFO [main.py:643]
{rank 0/100} MD step = 288100 step time: 00:00:00.018222 Performance: 126.487 ns/day 0.190 hours/ns 7.320 steps/s 2023-04-07 22:51:16,426 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 288100 57620 49.722 -36229 5449.6 -41678 -41678 3.5326 2.4233 0.95887 4.6292e+05 2023-04-07 22:51:18,455 INFO [main.py:643]
{rank 0/100} MD step = 288200 step time: 00:00:00.017888 Performance: 126.496 ns/day 0.190 hours/ns 7.320 steps/s 2023-04-07 22:51:19,825 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 288200 57640 50.805 -36133 5568.3 -41701 -41701 3.5359 2.4235 0.95864 4.6307e+05 2023-04-07 22:51:21,709 INFO [main.py:643]
{rank 0/100} MD step = 288300 step time: 00:00:00.017932 Performance: 126.529 ns/day 0.190 hours/ns 7.322 steps/s 2023-04-07 22:51:27,741 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 288300 57660 49.51 -36210 5426.3 -41637 -41637 3.5385 2.4231 0.95883 4.6325e+05 2023-04-07 22:51:29,729 INFO [main.py:643]
{rank 0/100} MD step = 288400 step time: 00:00:00.017976 Performance: 126.547 ns/day 0.190 hours/ns 7.323 steps/s 2023-04-07 22:51:33,040 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 288400 57680 49.294 -36260 5402.7 -41663 -41663 3.542 2.4227 0.95941 4.6338e+05 2023-04-07 22:51:34,933 INFO [main.py:643]
{rank 0/100} MD step = 288500 step time: 00:00:00.017956 Performance: 126.574 ns/day 0.190 hours/ns 7.325 steps/s 2023-04-07 22:51:40,275 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 288500 57700 49.624 -36268 5438.9 -41707 -41707 3.544 2.425 0.95991 4.6354e+05 2023-04-07 22:51:42,112 INFO [main.py:643]
{rank 0/100} MD step = 288600 step time: 00:00:00.018057 Performance: 126.595 ns/day 0.190 hours/ns 7.326 steps/s 2023-04-07 22:51:51,289 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 288600 57720 50.215 -36131 5503.6 -41634 -41634 3.5461 2.4275 0.96007 4.6368e+05 2023-04-07 22:51:53,180 INFO [main.py:643]
{rank 0/100} MD step = 288700 step time: 00:00:00.018104 Performance: 126.603 ns/day 0.190 hours/ns 7.327 steps/s 2023-04-07 22:51:54,337 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 288700 57740 49.692 -36190 5446.3 -41636 -41636 3.5468 2.4295 0.96032 4.6387e+05 2023-04-07 22:51:56,212 INFO [main.py:643]
{rank 0/100} MD step = 288800 step time: 00:00:00.017896 Performance: 126.637 ns/day 0.190 hours/ns 7.329 steps/s 2023-04-07 22:51:57,490 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 288800 57760 49.364 -36157 5410.4 -41568 -41568 3.5489 2.4293 0.96137 4.6402e+05 2023-04-07 22:51:59,376 INFO [main.py:643]
{rank 0/100} MD step = 288900 step time: 00:00:00.018078 Performance: 126.671 ns/day 0.189 hours/ns 7.331 steps/s 2023-04-07 22:52:00,635 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 288900 57780 49.609 -36280 5437.2 -41717 -41717 3.5503 2.4302 0.96116 4.6418e+05 2023-04-07 22:52:02,442 INFO [main.py:643]
{rank 0/100} MD step = 289000 step time: 00:00:00.018092 Performance: 126.705 ns/day 0.189 hours/ns 7.332 steps/s 2023-04-07 22:52:06,309 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 289000 57800 48.74 -36392 5342 -41734 -41734 3.5539 2.4331 0.9623 4.6434e+05 2023-04-07 22:52:08,160 INFO [main.py:643]
{rank 0/100} MD step = 289100 step time: 00:00:00.018072 Performance: 126.731 ns/day 0.189 hours/ns 7.334 steps/s 2023-04-07 22:52:16,798 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 289100 57820 50.285 -36147 5511.3 -41658 -41658 3.5562 2.4326 0.96193 4.6449e+05 2023-04-07 22:52:18,677 INFO [main.py:643]
{rank 0/100} MD step = 289200 step time: 00:00:00.017978 Performance: 126.741 ns/day 0.189 hours/ns 7.335 steps/s 2023-04-07 22:52:22,755 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 289200 57840 50.596 -36170 5545.4 -41715 -41715 3.5571 2.4306 0.96336 4.6463e+05 2023-04-07 22:52:24,645 INFO [main.py:643]
{rank 0/100} MD step = 289300 step time: 00:00:00.018057 Performance: 126.765 ns/day 0.189 hours/ns 7.336 steps/s 2023-04-07 22:52:29,789 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 289300 57860 50.308 -36142 5513.8 -41656 -41656 3.5597 2.4307 0.96327 4.648e+05 2023-04-07 22:52:31,991 INFO [main.py:643]
{rank 0/100} MD step = 289400 step time: 00:00:00.017936 Performance: 126.785 ns/day 0.189 hours/ns 7.337 steps/s 2023-04-07 22:52:40,304 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 289400 57880 49.873 -36225 5466.1 -41691 -41691 3.562 2.4324 0.96293 4.6495e+05 2023-04-07 22:52:42,140 INFO [main.py:643]
{rank 0/100} MD step = 289500 step time: 00:00:00.018078 Performance: 126.797 ns/day 0.189 hours/ns 7.338 steps/s 2023-04-07 22:52:50,709 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 289500 57900 48.979 -36384 5368.1 -41753 -41753 3.5651 2.4331 0.96138 4.651e+05 2023-04-07 22:52:52,529 INFO [main.py:643]
{rank 0/100} MD step = 289600 step time: 00:00:00.018388 Performance: 126.807 ns/day 0.189 hours/ns 7.338 steps/s 2023-04-07 22:52:57,815 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 289600 57920 50.034 -36208 5483.8 -41692 -41692 3.5681 2.4341 0.95948 4.6527e+05 2023-04-07 22:52:59,726 INFO [main.py:643]
{rank 0/100} MD step = 289700 step time: 00:00:00.018235 Performance: 126.828 ns/day 0.189 hours/ns 7.340 steps/s 2023-04-07 22:53:12,210 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 289700 57940 49.766 -36322 5454.4 -41776 -41776 3.5685 2.4361 0.95959 4.6542e+05 2023-04-07 22:53:14,034 INFO [main.py:643]
{rank 0/100} MD step = 289800 step time: 00:00:00.018031 Performance: 126.825 ns/day 0.189 hours/ns 7.339 steps/s 2023-04-07 22:53:15,166 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 289800 57960 48.917 -36382 5361.3 -41743 -41743 3.5721 2.4361 0.95965 4.6558e+05 2023-04-07 22:53:20,445 INFO [main.py:643]
{rank 0/100} MD step = 289900 step time: 00:00:00.017962 Performance: 126.849 ns/day 0.189 hours/ns 7.341 steps/s 2023-04-07 22:53:30,110 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 289900 57980 49.834 -36282 5461.8 -41744 -41744 3.5761 2.4366 0.95918 4.6574e+05 2023-04-07 22:53:32,029 INFO [main.py:643]
{rank 0/100} MD step = 290000 step time: 00:00:00.017905 Performance: 126.855 ns/day 0.189 hours/ns 7.341 steps/s 2023-04-07 22:53:44,783 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 290000 58000 49.336 -36243 5407.3 -41650 -41650 3.5754 2.4376 0.95958 4.6592e+05 2023-04-07 22:53:46,785 INFO [main.py:643]
{rank 0/100} MD step = 290100 step time: 00:00:00.018009 Performance: 126.852 ns/day 0.189 hours/ns 7.341 steps/s 2023-04-07 22:53:51,742 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 290100 58020 50.625 -36120 5548.6 -41668 -41668 3.5769 2.4377 0.95746 4.6609e+05 2023-04-07 22:53:53,584 INFO [main.py:643]
{rank 0/100} MD step = 290200 step time: 00:00:00.017990 Performance: 126.873 ns/day 0.189 hours/ns 7.342 steps/s 2023-04-07 22:54:03,383 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 290200 58040 49.619 -36231 5438.3 -41669 -41669 3.5807 2.4358 0.95826 4.6622e+05 2023-04-07 22:54:05,623 INFO [main.py:643]
{rank 0/100} MD step = 290300 step time: 00:00:00.017999 Performance: 126.878 ns/day 0.189 hours/ns 7.343 steps/s 2023-04-07 22:54:12,494 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 290300 58060 49.983 -36256 5478.2 -41734 -41734 3.5837 2.4367 0.96042 4.6638e+05 2023-04-07 22:54:14,408 INFO [main.py:643]
{rank 0/100} MD step = 290400 step time: 00:00:00.017997 Performance: 126.894 ns/day 0.189 hours/ns 7.343 steps/s 2023-04-07 22:54:15,746 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 290400 58080 50.916 -36159 5580.5 -41740 -41740 3.5861 2.4378 0.96139 4.6654e+05 2023-04-07 22:54:17,689 INFO [main.py:643]
{rank 0/100} MD step = 290500 step time: 00:00:00.017956 Performance: 126.927 ns/day 0.189 hours/ns 7.345 steps/s 2023-04-07 22:54:18,901 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 290500 58100 49.691 -36252 5446.1 -41698 -41698 3.5885 2.4391 0.96098 4.6671e+05 2023-04-07 22:54:20,736 INFO [main.py:643]
{rank 0/100} MD step = 290600 step time: 00:00:00.018012 Performance: 126.961 ns/day 0.189 hours/ns 7.347 steps/s 2023-04-07 22:54:42,485 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 290600 58120 49.862 -36166 5465 -41631 -41631 3.5895 2.4404 0.96177 4.6688e+05 2023-04-07 22:54:48,827 INFO [main.py:643]
{rank 0/100} MD step = 290700 step time: 00:00:00.017993 Performance: 126.915 ns/day 0.189 hours/ns 7.345 steps/s 2023-04-07 22:54:53,231 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 290700 58140 50.399 -36173 5523.7 -41697 -41697 3.5924 2.439 0.96104 4.6702e+05 2023-04-07 22:54:55,060 INFO [main.py:643]
{rank 0/100} MD step = 290800 step time: 00:00:00.018130 Performance: 126.938 ns/day 0.189 hours/ns 7.346 steps/s 2023-04-07 22:54:59,695 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 290800 58160 50.331 -36128 5516.3 -41644 -41644 3.5936 2.44 0.95966 4.6719e+05 2023-04-07 22:55:01,685 INFO [main.py:643]
{rank 0/100} MD step = 290900 step time: 00:00:00.017927 Performance: 126.961 ns/day 0.189 hours/ns 7.347 steps/s 2023-04-07 22:55:10,578 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 290900 58180 49.553 -36279 5431.1 -41710 -41710 3.5945 2.4402 0.96078 4.6733e+05 2023-04-07 22:55:12,444 INFO [main.py:643]
{rank 0/100} MD step = 291000 step time: 00:00:00.018101 Performance: 126.970 ns/day 0.189 hours/ns 7.348 steps/s 2023-04-07 22:55:16,946 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 291000 58200 50.3 -36238 5512.9 -41751 -41751 3.5977 2.4407 0.95944 4.6746e+05 2023-04-07 22:55:18,925 INFO [main.py:643]
{rank 0/100} MD step = 291100 step time: 00:00:00.018000 Performance: 126.993 ns/day 0.189 hours/ns 7.349 steps/s 2023-04-07 22:55:20,368 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 291100 58220 49.725 -36181 5449.9 -41631 -41631 3.6007 2.4418 0.96005 4.6766e+05 2023-04-07 22:55:22,253 INFO [main.py:643]
{rank 0/100} MD step = 291200 step time: 00:00:00.017993 Performance: 127.026 ns/day 0.189 hours/ns 7.351 steps/s 2023-04-07 22:55:23,484 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 291200 58240 49.846 -36264 5463.1 -41727 -41727 3.6037 2.4421 0.96184 4.678e+05 2023-04-07 22:55:25,329 INFO [main.py:643]
{rank 0/100} MD step = 291300 step time: 00:00:00.018110 Performance: 127.059 ns/day 0.189 hours/ns 7.353 steps/s 2023-04-07 22:55:26,509 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 291300 58260 50.016 -36253 5481.8 -41735 -41735 3.6062 2.4448 0.96106 4.6794e+05 2023-04-07 22:55:28,356 INFO [main.py:643]
{rank 0/100} MD step = 291400 step time: 00:00:00.018033 Performance: 127.093 ns/day 0.189 hours/ns 7.355 steps/s 2023-04-07 22:55:36,739 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 291400 58280 50.43 -36088 5527.2 -41616 -41616 3.6079 2.4436 0.96037 4.6815e+05 2023-04-07 22:55:38,593 INFO [main.py:643]
{rank 0/100} MD step = 291500 step time: 00:00:00.017909 Performance: 127.104 ns/day 0.189 hours/ns 7.356 steps/s 2023-04-07 22:55:51,671 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 291500 58300 49.782 -36232 5456.2 -41688 -41688 3.6125 2.4443 0.96044 4.6831e+05 2023-04-07 22:55:53,490 INFO [main.py:643]
{rank 0/100} MD step = 291600 step time: 00:00:00.017973 Performance: 127.100 ns/day 0.189 hours/ns 7.355 steps/s 2023-04-07 22:56:02,119 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 291600 58320 49.581 -36257 5434.1 -41691 -41691 3.6153 2.4455 0.96089 4.6846e+05 2023-04-07 22:56:04,075 INFO [main.py:643]
{rank 0/100} MD step = 291700 step time: 00:00:00.023349 Performance: 127.110 ns/day 0.189 hours/ns 7.356 steps/s 2023-04-07 22:56:05,568 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 291700 58340 50.596 -36183 5545.3 -41728 -41728 3.6178 2.4484 0.96181 4.6862e+05 2023-04-07 22:56:07,631 INFO [main.py:643]
{rank 0/100} MD step = 291800 step time: 00:00:00.017829 Performance: 127.142 ns/day 0.189 hours/ns 7.358 steps/s 2023-04-07 22:56:27,741 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 291800 58360 49.779 -36259 5455.9 -41715 -41715 3.6223 2.4499 0.96192 4.6878e+05 2023-04-07 22:56:29,882 INFO [main.py:643]
{rank 0/100} MD step = 291900 step time: 00:00:00.017943 Performance: 127.114 ns/day 0.189 hours/ns 7.356 steps/s 2023-04-07 22:56:51,974 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 291900 58380 49.914 -36204 5470.6 -41675 -41675 3.6239 2.4515 0.96107 4.6898e+05 2023-04-07 22:56:53,785 INFO [main.py:643]
{rank 0/100} MD step = 292000 step time: 00:00:00.018092 Performance: 127.081 ns/day 0.189 hours/ns 7.354 steps/s 2023-04-07 22:56:58,268 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 292000 58400 50.213 -36233 5503.4 -41736 -41736 3.625 2.4527 0.96211 4.6911e+05 2023-04-07 22:57:00,173 INFO [main.py:643]
{rank 0/100} MD step = 292100 step time: 00:00:00.018008 Performance: 127.104 ns/day 0.189 hours/ns 7.356 steps/s 2023-04-07 22:57:01,720 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 292100 58420 50.238 -36251 5506.2 -41757 -41757 3.6248 2.4533 0.96186 4.6927e+05 2023-04-07 22:57:03,820 INFO [main.py:643]
{rank 0/100} MD step = 292200 step time: 00:00:00.018409 Performance: 127.136 ns/day 0.189 hours/ns 7.357 steps/s 2023-04-07 22:57:09,139 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 292200 58440 50.271 -36128 5509.8 -41638 -41638 3.6249 2.454 0.96195 4.6942e+05 2023-04-07 22:57:10,970 INFO [main.py:643]
{rank 0/100} MD step = 292300 step time: 00:00:00.018113 Performance: 127.157 ns/day 0.189 hours/ns 7.359 steps/s 2023-04-07 22:57:15,351 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 292300 58460 49.399 -36240 5414.2 -41654 -41654 3.6278 2.4532 0.96328 4.6961e+05 2023-04-07 22:57:17,186 INFO [main.py:643]
{rank 0/100} MD step = 292400 step time: 00:00:00.017994 Performance: 127.180 ns/day 0.189 hours/ns 7.360 steps/s 2023-04-07 22:57:29,848 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 292400 58480 49.739 -36212 5451.4 -41663 -41663 3.6321 2.4526 0.96377 4.6976e+05 2023-04-07 22:57:31,856 INFO [main.py:643]
{rank 0/100} MD step = 292500 step time: 00:00:00.018043 Performance: 127.177 ns/day 0.189 hours/ns 7.360 steps/s 2023-04-07 22:57:45,662 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 292500 58500 49.831 -36268 5461.6 -41729 -41729 3.6359 2.4533 0.96427 4.6994e+05 2023-04-07 22:57:47,492 INFO [main.py:643]
{rank 0/100} MD step = 292600 step time: 00:00:00.017970 Performance: 127.170 ns/day 0.189 hours/ns 7.359 steps/s 2023-04-07 22:57:48,688 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 292600 58520 49.752 -36400 5452.9 -41853 -41853 3.6376 2.4531 0.96417 4.7006e+05 2023-04-07 22:57:50,483 INFO [main.py:643]
{rank 0/100} MD step = 292700 step time: 00:00:00.018070 Performance: 127.204 ns/day 0.189 hours/ns 7.361 steps/s 2023-04-07 22:57:56,097 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 292700 58540 49.74 -36215 5451.6 -41666 -41666 3.6408 2.454 0.96491 4.7028e+05 2023-04-07 22:57:57,904 INFO [main.py:643]
{rank 0/100} MD step = 292800 step time: 00:00:00.021042 Performance: 127.224 ns/day 0.189 hours/ns 7.362 steps/s 2023-04-07 22:58:02,242 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 292800 58560 49.852 -36229 5463.9 -41693 -41693 3.644 2.4551 0.96424 4.7042e+05 2023-04-07 22:58:04,143 INFO [main.py:643]
{rank 0/100} MD step = 292900 step time: 00:00:00.017951 Performance: 127.247 ns/day 0.189 hours/ns 7.364 steps/s 2023-04-07 22:58:21,752 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 292900 58580 49.776 -36238 5455.5 -41694 -41694 3.6486 2.4571 0.9649 4.706e+05 2023-04-07 22:58:23,573 INFO [main.py:643]
{rank 0/100} MD step = 293000 step time: 00:00:00.017887 Performance: 127.228 ns/day 0.189 hours/ns 7.363 steps/s 2023-04-07 22:58:32,763 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 293000 58600 50.145 -36169 5496 -41665 -41665 3.6519 2.4566 0.96577 4.7078e+05 2023-04-07 22:58:34,695 INFO [main.py:643]
{rank 0/100} MD step = 293100 step time: 00:00:00.017904 Performance: 127.236 ns/day 0.189 hours/ns 7.363 steps/s 2023-04-07 22:58:44,444 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 293100 58620 49.598 -36302 5435.9 -41738 -41738 3.6521 2.4587 0.96509 4.7092e+05 2023-04-07 22:58:46,430 INFO [main.py:643]
{rank 0/100} MD step = 293200 step time: 00:00:00.017962 Performance: 127.242 ns/day 0.189 hours/ns 7.364 steps/s 2023-04-07 22:58:56,428 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 293200 58640 49.769 -36224 5454.8 -41679 -41679 3.6557 2.4607 0.96535 4.7111e+05 2023-04-07 22:58:58,338 INFO [main.py:643]
{rank 0/100} MD step = 293300 step time: 00:00:00.017851 Performance: 127.248 ns/day 0.189 hours/ns 7.364 steps/s 2023-04-07 22:59:02,766 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 293300 58660 49.884 -36327 5467.4 -41794 -41794 3.6597 2.4614 0.96565 4.7127e+05 2023-04-07 22:59:04,709 INFO [main.py:643]
{rank 0/100} MD step = 293400 step time: 00:00:00.018063 Performance: 127.271 ns/day 0.189 hours/ns 7.365 steps/s 2023-04-07 22:59:16,881 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 293400 58680 50 -36224 5480.1 -41704 -41704 3.6638 2.4629 0.9647 4.7143e+05 2023-04-07 22:59:18,751 INFO [main.py:643]
{rank 0/100} MD step = 293500 step time: 00:00:00.018074 Performance: 127.269 ns/day 0.189 hours/ns 7.365 steps/s 2023-04-07 22:59:19,991 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 293500 58700 49.984 -36240 5478.3 -41718 -41718 3.6686 2.4639 0.96588 4.716e+05 2023-04-07 22:59:21,906 INFO [main.py:643]
{rank 0/100} MD step = 293600 step time: 00:00:00.018125 Performance: 127.302 ns/day 0.189 hours/ns 7.367 steps/s 2023-04-07 22:59:26,946 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 293600 58720 49.494 -36221 5424.6 -41646 -41646 3.6693 2.4624 0.96712 4.7177e+05 2023-04-07 22:59:28,753 INFO [main.py:643]
{rank 0/100} MD step = 293700 step time: 00:00:00.017935 Performance: 127.324 ns/day 0.188 hours/ns 7.368 steps/s 2023-04-07 22:59:32,260 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 293700 58740 50.324 -36105 5515.6 -41621 -41621 3.6742 2.4639 0.968 4.7193e+05 2023-04-07 22:59:38,422 INFO [main.py:643]
{rank 0/100} MD step = 293800 step time: 00:00:00.018135 Performance: 127.336 ns/day 0.188 hours/ns 7.369 steps/s 2023-04-07 22:59:56,487 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 293800 58760 48.957 -36357 5365.8 -41723 -41723 3.6743 2.4666 0.96691 4.7208e+05 2023-04-07 22:59:58,371 INFO [main.py:643]
{rank 0/100} MD step = 293900 step time: 00:00:00.017994 Performance: 127.316 ns/day 0.189 hours/ns 7.368 steps/s 2023-04-07 22:59:59,494 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 293900 58780 49.715 -36160 5448.8 -41609 -41609 3.6754 2.4664 0.96643 4.7223e+05 2023-04-07 23:00:01,405 INFO [main.py:643]
{rank 0/100} MD step = 294000 step time: 00:00:00.017925 Performance: 127.350 ns/day 0.188 hours/ns 7.370 steps/s 2023-04-07 23:00:02,557 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 294000 58800 50.744 -35980 5561.6 -41541 -41541 3.6791 2.4678 0.96698 4.7239e+05 2023-04-07 23:00:04,430 INFO [main.py:643]
{rank 0/100} MD step = 294100 step time: 00:00:00.018156 Performance: 127.383 ns/day 0.188 hours/ns 7.372 steps/s 2023-04-07 23:00:05,619 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 294100 58820 49.294 -36218 5402.6 -41620 -41620 3.6833 2.4693 0.9657 4.725e+05 2023-04-07 23:00:07,512 INFO [main.py:643]
{rank 0/100} MD step = 294200 step time: 00:00:00.018053 Performance: 127.417 ns/day 0.188 hours/ns 7.374 steps/s 2023-04-07 23:00:19,886 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 294200 58840 49.83 -36221 5461.4 -41682 -41682 3.6871 2.4693 0.96541 4.7264e+05 2023-04-07 23:00:21,729 INFO [main.py:643]
{rank 0/100} MD step = 294300 step time: 00:00:00.018027 Performance: 127.415 ns/day 0.188 hours/ns 7.374 steps/s 2023-04-07 23:00:30,553 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 294300 58860 50.72 -36104 5558.9 -41663 -41663 3.6902 2.4687 0.9661 4.728e+05 2023-04-07 23:00:32,437 INFO [main.py:643]
{rank 0/100} MD step = 294400 step time: 00:00:00.017989 Performance: 127.424 ns/day 0.188 hours/ns 7.374 steps/s 2023-04-07 23:00:33,693 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 294400 58880 50.092 -36246 5490.2 -41736 -41736 3.6925 2.4671 0.96542 4.7295e+05 2023-04-07 23:00:35,529 INFO [main.py:643]
{rank 0/100} MD step = 294500 step time: 00:00:00.018031 Performance: 127.457 ns/day 0.188 hours/ns 7.376 steps/s 2023-04-07 23:00:39,397 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 294500 58900 49.929 -36212 5472.2 -41684 -41684 3.6939 2.4674 0.9652 4.7313e+05 2023-04-07 23:00:41,316 INFO [main.py:643]
{rank 0/100} MD step = 294600 step time: 00:00:00.018065 Performance: 127.482 ns/day 0.188 hours/ns 7.377 steps/s 2023-04-07 23:00:50,273 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 294600 58920 49.294 -36282 5402.7 -41685 -41685 3.6964 2.467 0.96473 4.7328e+05 2023-04-07 23:00:52,134 INFO [main.py:643]
{rank 0/100} MD step = 294700 step time: 00:00:00.017918 Performance: 127.491 ns/day 0.188 hours/ns 7.378 steps/s 2023-04-07 23:01:04,781 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 294700 58940 49.771 -36310 5455 -41765 -41765 3.7008 2.4677 0.96605 4.7343e+05 2023-04-07 23:01:06,616 INFO [main.py:643]
{rank 0/100} MD step = 294800 step time: 00:00:00.018141 Performance: 127.488 ns/day 0.188 hours/ns 7.378 steps/s 2023-04-07 23:01:11,603 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 294800 58960 50.276 -36232 5510.4 -41742 -41742 3.7026 2.4679 0.96472 4.7358e+05 2023-04-07 23:01:13,545 INFO [main.py:643]
{rank 0/100} MD step = 294900 step time: 00:00:00.018117 Performance: 127.509 ns/day 0.188 hours/ns 7.379 steps/s 2023-04-07 23:01:31,059 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 294900 58980 49.613 -36194 5437.6 -41632 -41632 3.7048 2.467 0.96457 4.7375e+05 2023-04-07 23:01:33,044 INFO [main.py:643]
{rank 0/100} MD step = 295000 step time: 00:00:00.018001 Performance: 127.490 ns/day 0.188 hours/ns 7.378 steps/s 2023-04-07 23:01:54,335 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 295000 59000 49.903 -36281 5469.4 -41750 -41750 3.7049 2.4663 0.96421 4.7388e+05 2023-04-07 23:01:56,186 INFO [main.py:643]
{rank 0/100} MD step = 295100 step time: 00:00:00.018049 Performance: 127.459 ns/day 0.188 hours/ns 7.376 steps/s 2023-04-07 23:02:26,496 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 295100 59020 49.999 -36266 5480 -41746 -41746 3.7095 2.4671 0.96419 4.7402e+05 2023-04-07 23:02:32,326 INFO [main.py:643]
{rank 0/100} MD step = 295200 step time: 00:00:00.018015 Performance: 127.387 ns/day 0.188 hours/ns 7.372 steps/s 2023-04-07 23:02:37,478 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 295200 59040 49.348 -36347 5408.6 -41756 -41756 3.7134 2.4706 0.9627 4.7417e+05 2023-04-07 23:02:39,364 INFO [main.py:643]
{rank 0/100} MD step = 295300 step time: 00:00:00.018104 Performance: 127.408 ns/day 0.188 hours/ns 7.373 steps/s 2023-04-07 23:02:56,442 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 295300 59060 50.033 -36135 5483.7 -41618 -41618 3.7171 2.47 0.9628 4.7433e+05 2023-04-07 23:02:58,289 INFO [main.py:643]
{rank 0/100} MD step = 295400 step time: 00:00:00.019021 Performance: 127.391 ns/day 0.188 hours/ns 7.372 steps/s 2023-04-07 23:03:15,873 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 295400 59080 49.992 -36193 5479.2 -41672 -41672 3.7189 2.472 0.96439 4.7449e+05 2023-04-07 23:03:17,752 INFO [main.py:643]
{rank 0/100} MD step = 295500 step time: 00:00:00.018068 Performance: 127.372 ns/day 0.188 hours/ns 7.371 steps/s 2023-04-07 23:03:23,160 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 295500 59100 50.76 -36119 5563.4 -41682 -41682 3.7232 2.4742 0.96499 4.7461e+05 2023-04-07 23:03:24,982 INFO [main.py:643]
{rank 0/100} MD step = 295600 step time: 00:00:00.018014 Performance: 127.393 ns/day 0.188 hours/ns 7.372 steps/s 2023-04-07 23:03:41,950 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 295600 59120 50.149 -36197 5496.3 -41694 -41694 3.7247 2.4758 0.96367 4.7478e+05 2023-04-07 23:03:44,244 INFO [main.py:643]
{rank 0/100} MD step = 295700 step time: 00:00:00.017981 Performance: 127.374 ns/day 0.188 hours/ns 7.371 steps/s 2023-04-07 23:04:18,020 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 295700 59140 49.553 -36339 5431 -41770 -41770 3.7259 2.4772 0.96379 4.7492e+05 2023-04-07 23:04:19,969 INFO [main.py:643]
{rank 0/100} MD step = 295800 step time: 00:00:00.018015 Performance: 127.304 ns/day 0.189 hours/ns 7.367 steps/s 2023-04-07 23:04:41,691 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 295800 59160 51.148 -35982 5605.8 -41588 -41588 3.7276 2.4774 0.96351 4.7509e+05 2023-04-07 23:04:43,559 INFO [main.py:643]
{rank 0/100} MD step = 295900 step time: 00:00:00.018215 Performance: 127.272 ns/day 0.189 hours/ns 7.365 steps/s 2023-04-07 23:05:09,656 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 295900 59180 49.73 -36304 5450.4 -41754 -41754 3.7325 2.4791 0.9652 4.7523e+05 2023-04-07 23:05:11,576 INFO [main.py:643]
{rank 0/100} MD step = 296000 step time: 00:00:00.017958 Performance: 127.227 ns/day 0.189 hours/ns 7.363 steps/s 2023-04-07 23:05:29,030 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 296000 59200 49.619 -36226 5438.3 -41664 -41664 3.7373 2.4799 0.96575 4.7542e+05 2023-04-07 23:05:31,017 INFO [main.py:643]
{rank 0/100} MD step = 296100 step time: 00:00:00.018017 Performance: 127.208 ns/day 0.189 hours/ns 7.362 steps/s 2023-04-07 23:05:44,248 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 296100 59220 49.893 -36336 5468.4 -41804 -41804 3.7429 2.4814 0.96546 4.7552e+05 2023-04-07 23:05:46,056 INFO [main.py:643]
{rank 0/100} MD step = 296200 step time: 00:00:00.018065 Performance: 127.204 ns/day 0.189 hours/ns 7.361 steps/s 2023-04-07 23:06:03,407 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 296200 59240 50.26 -36059 5508.5 -41567 -41567 3.7439 2.4828 0.96739 4.7574e+05 2023-04-07 23:06:05,285 INFO [main.py:643]
{rank 0/100} MD step = 296300 step time: 00:00:00.017897 Performance: 127.186 ns/day 0.189 hours/ns 7.360 steps/s 2023-04-07 23:06:15,392 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 296300 59260 50.276 -36191 5510.3 -41701 -41701 3.7438 2.4832 0.96726 4.7585e+05 2023-04-07 23:06:17,313 INFO [main.py:643]
{rank 0/100} MD step = 296400 step time: 00:00:00.018031 Performance: 127.191 ns/day 0.189 hours/ns 7.361 steps/s 2023-04-07 23:06:21,254 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 296400 59280 49.946 -36087 5474.2 -41561 -41561 3.7462 2.4846 0.96678 4.7607e+05 2023-04-07 23:06:26,433 INFO [main.py:643]
{rank 0/100} MD step = 296500 step time: 00:00:00.018104 Performance: 127.205 ns/day 0.189 hours/ns 7.361 steps/s 2023-04-07 23:06:31,390 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 296500 59300 50.22 -36202 5504.2 -41706 -41706 3.7491 2.4856 0.96717 4.7624e+05 2023-04-07 23:06:33,590 INFO [main.py:643]
{rank 0/100} MD step = 296600 step time: 00:00:00.018170 Performance: 127.225 ns/day 0.189 hours/ns 7.363 steps/s 2023-04-07 23:06:37,712 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 296600 59320 49.582 -36231 5434.3 -41665 -41665 3.7522 2.4873 0.96727 4.7636e+05 2023-04-07 23:06:40,224 INFO [main.py:643]
{rank 0/100} MD step = 296700 step time: 00:00:00.018037 Performance: 127.247 ns/day 0.189 hours/ns 7.364 steps/s 2023-04-07 23:07:01,079 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 296700 59340 50.39 -36184 5522.8 -41707 -41707 3.7518 2.4874 0.96607 4.7649e+05 2023-04-07 23:07:02,956 INFO [main.py:643]
{rank 0/100} MD step = 296800 step time: 00:00:00.017902 Performance: 127.218 ns/day 0.189 hours/ns 7.362 steps/s 2023-04-07 23:07:12,175 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 296800 59360 50.129 -36182 5494.2 -41677 -41677 3.7524 2.4884 0.96697 4.7666e+05 2023-04-07 23:07:14,080 INFO [main.py:643]
{rank 0/100} MD step = 296900 step time: 00:00:00.018104 Performance: 127.226 ns/day 0.189 hours/ns 7.363 steps/s 2023-04-07 23:07:31,531 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 296900 59380 50.167 -36196 5498.4 -41695 -41695 3.7549 2.4889 0.96719 4.7684e+05 2023-04-07 23:07:33,346 INFO [main.py:643]
{rank 0/100} MD step = 297000 step time: 00:00:00.018025 Performance: 127.208 ns/day 0.189 hours/ns 7.362 steps/s 2023-04-07 23:07:57,202 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 297000 59400 49.893 -36266 5468.4 -41735 -41735 3.758 2.4894 0.9676 4.77e+05 2023-04-07 23:07:59,505 INFO [main.py:643]
{rank 0/100} MD step = 297100 step time: 00:00:00.017961 Performance: 127.168 ns/day 0.189 hours/ns 7.359 steps/s 2023-04-07 23:08:16,750 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 297100 59420 49.691 -36210 5446.1 -41656 -41656 3.7613 2.4899 0.96804 4.7717e+05 2023-04-07 23:08:18,643 INFO [main.py:643]
{rank 0/100} MD step = 297200 step time: 00:00:00.018215 Performance: 127.151 ns/day 0.189 hours/ns 7.358 steps/s 2023-04-07 23:08:27,646 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 297200 59440 49.874 -36221 5466.2 -41687 -41687 3.7641 2.4895 0.96797 4.7733e+05 2023-04-07 23:08:29,517 INFO [main.py:643]
{rank 0/100} MD step = 297300 step time: 00:00:00.017944 Performance: 127.159 ns/day 0.189 hours/ns 7.359 steps/s 2023-04-07 23:08:50,886 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 297300 59460 50.564 -36164 5541.9 -41706 -41706 3.7655 2.4911 0.96817 4.7749e+05 2023-04-07 23:08:52,833 INFO [main.py:643]
{rank 0/100} MD step = 297400 step time: 00:00:00.018061 Performance: 127.129 ns/day 0.189 hours/ns 7.357 steps/s 2023-04-07 23:09:05,898 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 297400 59480 49.6 -36287 5436.2 -41723 -41723 3.7697 2.4918 0.96717 4.7765e+05 2023-04-07 23:09:07,797 INFO [main.py:643]
{rank 0/100} MD step = 297500 step time: 00:00:00.018038 Performance: 127.125 ns/day 0.189 hours/ns 7.357 steps/s 2023-04-07 23:09:25,182 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 297500 59500 49.483 -36346 5423.4 -41769 -41769 3.7725 2.4925 0.96843 4.7779e+05 2023-04-07 23:09:27,137 INFO [main.py:643]
{rank 0/100} MD step = 297600 step time: 00:00:00.018085 Performance: 127.106 ns/day 0.189 hours/ns 7.356 steps/s 2023-04-07 23:09:36,410 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 297600 59520 50.292 -36190 5512.1 -41702 -41702 3.7729 2.4933 0.9692 4.7797e+05 2023-04-07 23:09:41,819 INFO [main.py:643]
{rank 0/100} MD step = 297700 step time: 00:00:00.018022 Performance: 127.103 ns/day 0.189 hours/ns 7.356 steps/s 2023-04-07 23:09:51,158 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 297700 59540 50.517 -36196 5536.7 -41733 -41733 3.7728 2.4944 0.9702 4.7812e+05 2023-04-07 23:09:52,963 INFO [main.py:643]
{rank 0/100} MD step = 297800 step time: 00:00:00.017841 Performance: 127.111 ns/day 0.189 hours/ns 7.356 steps/s 2023-04-07 23:09:54,529 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 297800 59560 49.963 -36277 5476 -41753 -41753 3.775 2.4956 0.97084 4.7828e+05 2023-04-07 23:09:59,016 INFO [main.py:643]
{rank 0/100} MD step = 297900 step time: 00:00:00.018053 Performance: 127.134 ns/day 0.189 hours/ns 7.357 steps/s 2023-04-07 23:10:03,628 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 297900 59580 49.518 -36244 5427.3 -41672 -41672 3.7752 2.4969 0.97146 4.7845e+05 2023-04-07 23:10:05,523 INFO [main.py:643]
{rank 0/100} MD step = 298000 step time: 00:00:00.018006 Performance: 127.157 ns/day 0.189 hours/ns 7.359 steps/s 2023-04-07 23:10:12,603 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 298000 59600 49.928 -36278 5472.2 -41751 -41751 3.7772 2.4985 0.97156 4.786e+05 2023-04-07 23:10:18,639 INFO [main.py:643]
{rank 0/100} MD step = 298100 step time: 00:00:00.018080 Performance: 127.158 ns/day 0.189 hours/ns 7.359 steps/s 2023-04-07 23:10:36,272 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 298100 59620 50.334 -36025 5516.7 -41542 -41542 3.7784 2.4982 0.97217 4.7883e+05 2023-04-07 23:10:38,199 INFO [main.py:643]
{rank 0/100} MD step = 298200 step time: 00:00:00.018055 Performance: 127.139 ns/day 0.189 hours/ns 7.358 steps/s 2023-04-07 23:10:46,977 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 298200 59640 51.075 -36066 5597.9 -41664 -41664 3.7797 2.4985 0.97294 4.7894e+05 2023-04-07 23:10:48,810 INFO [main.py:643]
{rank 0/100} MD step = 298300 step time: 00:00:00.018617 Performance: 127.149 ns/day 0.189 hours/ns 7.358 steps/s 2023-04-07 23:11:10,326 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 298300 59660 49.294 -36248 5402.7 -41651 -41651 3.7832 2.4994 0.97259 4.791e+05 2023-04-07 23:11:16,671 INFO [main.py:643]
{rank 0/100} MD step = 298400 step time: 00:00:00.018223 Performance: 127.104 ns/day 0.189 hours/ns 7.356 steps/s 2023-04-07 23:11:33,943 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 298400 59680 50.771 -36122 5564.6 -41686 -41686 3.7846 2.5014 0.9707 4.7924e+05 2023-04-07 23:11:35,882 INFO [main.py:643]
{rank 0/100} MD step = 298500 step time: 00:00:00.018188 Performance: 127.086 ns/day 0.189 hours/ns 7.355 steps/s 2023-04-07 23:11:41,347 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 298500 59700 49.996 -36204 5479.6 -41684 -41684 3.7881 2.5028 0.97049 4.7941e+05 2023-04-07 23:11:43,228 INFO [main.py:643]
{rank 0/100} MD step = 298600 step time: 00:00:00.017963 Performance: 127.106 ns/day 0.189 hours/ns 7.356 steps/s 2023-04-07 23:11:44,396 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 298600 59720 51.154 -36096 5606.5 -41702 -41702 3.7905 2.5036 0.97316 4.7957e+05 2023-04-07 23:11:46,241 INFO [main.py:643]
{rank 0/100} MD step = 298700 step time: 00:00:00.018259 Performance: 127.139 ns/day 0.189 hours/ns 7.358 steps/s 2023-04-07 23:11:47,402 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 298700 59740 49.792 -36149 5457.2 -41606 -41606 3.7915 2.5025 0.97337 4.7971e+05 2023-04-07 23:11:49,247 INFO [main.py:643]
{rank 0/100} MD step = 298800 step time: 00:00:00.018020 Performance: 127.172 ns/day 0.189 hours/ns 7.360 steps/s 2023-04-07 23:12:02,185 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 298800 59760 50.122 -36144 5493.4 -41637 -41637 3.7956 2.5034 0.97398 4.7988e+05 2023-04-07 23:12:04,054 INFO [main.py:643]
{rank 0/100} MD step = 298900 step time: 00:00:00.018449 Performance: 127.168 ns/day 0.189 hours/ns 7.359 steps/s 2023-04-07 23:12:08,824 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 298900 59780 49.187 -36208 5391 -41599 -41599 3.7992 2.5053 0.97346 4.8006e+05 2023-04-07 23:12:10,684 INFO [main.py:643]
{rank 0/100} MD step = 299000 step time: 00:00:00.018111 Performance: 127.190 ns/day 0.189 hours/ns 7.361 steps/s 2023-04-07 23:12:23,481 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 299000 59800 50.238 -36245 5506.2 -41751 -41751 3.8011 2.5062 0.97527 4.8017e+05 2023-04-07 23:12:25,392 INFO [main.py:643]
{rank 0/100} MD step = 299100 step time: 00:00:00.017915 Performance: 127.187 ns/day 0.189 hours/ns 7.360 steps/s 2023-04-07 23:12:34,271 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 299100 59820 50.298 -36228 5512.7 -41740 -41740 3.8054 2.5071 0.97561 4.8035e+05 2023-04-07 23:12:36,142 INFO [main.py:643]
{rank 0/100} MD step = 299200 step time: 00:00:00.018078 Performance: 127.196 ns/day 0.189 hours/ns 7.361 steps/s 2023-04-07 23:12:54,041 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 299200 59840 50.498 -36133 5534.6 -41667 -41667 3.8088 2.5082 0.97523 4.8052e+05 2023-04-07 23:12:55,837 INFO [main.py:643]
{rank 0/100} MD step = 299300 step time: 00:00:00.018059 Performance: 127.177 ns/day 0.189 hours/ns 7.360 steps/s 2023-04-07 23:13:08,890 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 299300 59860 50.556 -36236 5541 -41777 -41777 3.8116 2.5084 0.97492 4.8066e+05 2023-04-07 23:13:10,874 INFO [main.py:643]
{rank 0/100} MD step = 299400 step time: 00:00:00.018063 Performance: 127.172 ns/day 0.189 hours/ns 7.359 steps/s 2023-04-07 23:13:15,715 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 299400 59880 49.634 -36353 5440 -41793 -41793 3.8149 2.5093 0.97515 4.8079e+05 2023-04-07 23:13:17,807 INFO [main.py:643]
{rank 0/100} MD step = 299500 step time: 00:00:00.018233 Performance: 127.193 ns/day 0.189 hours/ns 7.361 steps/s 2023-04-07 23:13:23,587 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 299500 59900 50.633 -36054 5549.4 -41604 -41604 3.8151 2.5086 0.97558 4.81e+05 2023-04-07 23:13:33,899 INFO [main.py:643]
{rank 0/100} MD step = 299600 step time: 00:00:00.017973 Performance: 127.185 ns/day 0.189 hours/ns 7.360 steps/s 2023-04-07 23:13:35,055 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 299600 59920 49.353 -36261 5409.1 -41670 -41670 3.8172 2.5092 0.97564 4.8111e+05 2023-04-07 23:13:36,896 INFO [main.py:643]
{rank 0/100} MD step = 299700 step time: 00:00:00.018108 Performance: 127.218 ns/day 0.189 hours/ns 7.362 steps/s 2023-04-07 23:13:40,421 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 299700 59940 49.91 -36242 5470.2 -41712 -41712 3.8234 2.5098 0.97609 4.8127e+05 2023-04-07 23:13:42,298 INFO [main.py:643]
{rank 0/100} MD step = 299800 step time: 00:00:00.018134 Performance: 127.244 ns/day 0.189 hours/ns 7.364 steps/s 2023-04-07 23:13:49,506 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 299800 59960 50.314 -36205 5514.5 -41720 -41720 3.8263 2.5102 0.97781 4.8142e+05 2023-04-07 23:13:51,459 INFO [main.py:643]
{rank 0/100} MD step = 299900 step time: 00:00:00.018016 Performance: 127.257 ns/day 0.189 hours/ns 7.364 steps/s 2023-04-07 23:14:07,541 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 299900 59980 50.3 -36149 5513 -41662 -41662 3.8286 2.512 0.97906 4.8159e+05 2023-04-07 23:14:09,405 INFO [main.py:643]
{rank 0/100} MD step = 300000 step time: 00:00:00.018005 Performance: 127.244 ns/day 0.189 hours/ns 7.364 steps/s 2023-04-07 23:14:30,113 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 300000 60000 50.762 -36135 5563.6 -41699 -41699 3.8334 2.5106 0.97844 4.8173e+05 2023-04-07 23:14:32,032 INFO [main.py:643]
{rank 0/100} MD step = 300100 step time: 00:00:00.018011 Performance: 127.216 ns/day 0.189 hours/ns 7.362 steps/s 2023-04-07 23:14:33,238 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 300100 60020 49.722 -36213 5449.6 -41662 -41662 3.8369 2.5125 0.97871 4.819e+05 2023-04-07 23:14:35,105 INFO [main.py:643]
{rank 0/100} MD step = 300200 step time: 00:00:00.018425 Performance: 127.248 ns/day 0.189 hours/ns 7.364 steps/s 2023-04-07 23:14:53,678 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 300200 60040 49.948 -36203 5474.3 -41678 -41678 3.8367 2.5141 0.97979 4.8206e+05 2023-04-07 23:14:55,636 INFO [main.py:643]
{rank 0/100} MD step = 300300 step time: 00:00:00.018052 Performance: 127.227 ns/day 0.189 hours/ns 7.363 steps/s 2023-04-07 23:15:00,513 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 300300 60060 49.53 -36302 5428.6 -41730 -41730 3.8391 2.5151 0.98036 4.8221e+05 2023-04-07 23:15:02,333 INFO [main.py:643]
{rank 0/100} MD step = 300400 step time: 00:00:00.017984 Performance: 127.248 ns/day 0.189 hours/ns 7.364 steps/s 2023-04-07 23:15:03,401 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 300400 60080 49.426 -36283 5417.2 -41700 -41700 3.8412 2.5164 0.97981 4.8239e+05 2023-04-07 23:15:05,327 INFO [main.py:643]
{rank 0/100} MD step = 300500 step time: 00:00:00.018131 Performance: 127.281 ns/day 0.189 hours/ns 7.366 steps/s 2023-04-07 23:15:13,628 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 300500 60100 50.722 -36092 5559.2 -41651 -41651 3.8428 2.5168 0.98021 4.8254e+05 2023-04-07 23:15:15,502 INFO [main.py:643]
{rank 0/100} MD step = 300600 step time: 00:00:00.018020 Performance: 127.292 ns/day 0.189 hours/ns 7.366 steps/s 2023-04-07 23:15:32,627 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 300600 60120 49.628 -36286 5439.3 -41725 -41725 3.8455 2.518 0.98156 4.8268e+05 2023-04-07 23:15:34,492 INFO [main.py:643]
{rank 0/100} MD step = 300700 step time: 00:00:00.018175 Performance: 127.275 ns/day 0.189 hours/ns 7.365 steps/s 2023-04-07 23:15:56,153 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 300700 60140 50.57 -36117 5542.5 -41659 -41659 3.8509 2.5184 0.98282 4.8285e+05 2023-04-07 23:15:57,996 INFO [main.py:643]
{rank 0/100} MD step = 300800 step time: 00:00:00.018068 Performance: 127.244 ns/day 0.189 hours/ns 7.364 steps/s 2023-04-07 23:15:59,192 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 300800 60160 50.276 -36175 5510.3 -41685 -41685 3.8524 2.5189 0.98149 4.8303e+05 2023-04-07 23:16:01,164 INFO [main.py:643]
{rank 0/100} MD step = 300900 step time: 00:00:00.018071 Performance: 127.276 ns/day 0.189 hours/ns 7.366 steps/s 2023-04-07 23:16:13,331 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 300900 60180 50.276 -36108 5510.4 -41619 -41619 3.8546 2.5204 0.98303 4.8318e+05 2023-04-07 23:16:19,116 INFO [main.py:643]
{rank 0/100} MD step = 301000 step time: 00:00:00.018079 Performance: 127.263 ns/day 0.189 hours/ns 7.365 steps/s 2023-04-07 23:16:22,356 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 301000 60200 51.003 -36111 5590 -41701 -41701 3.8593 2.5218 0.98371 4.833e+05 2023-04-07 23:16:24,366 INFO [main.py:643]
{rank 0/100} MD step = 301100 step time: 00:00:00.018031 Performance: 127.289 ns/day 0.189 hours/ns 7.366 steps/s 2023-04-07 23:16:25,337 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 301100 60220 50.4 -36130 5523.9 -41654 -41654 3.8617 2.5228 0.98383 4.8352e+05 2023-04-07 23:16:27,388 INFO [main.py:643]
{rank 0/100} MD step = 301200 step time: 00:00:00.018044 Performance: 127.322 ns/day 0.188 hours/ns 7.368 steps/s 2023-04-07 23:16:40,959 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 301200 60240 50.364 -36207 5519.9 -41727 -41727 3.863 2.5227 0.9851 4.8366e+05 2023-04-07 23:16:42,880 INFO [main.py:643]
{rank 0/100} MD step = 301300 step time: 00:00:00.017881 Performance: 127.316 ns/day 0.189 hours/ns 7.368 steps/s 2023-04-07 23:16:51,902 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 301300 60260 49.755 -36339 5453.2 -41792 -41792 3.8676 2.5233 0.98502 4.838e+05 2023-04-07 23:16:53,836 INFO [main.py:643]
{rank 0/100} MD step = 301400 step time: 00:00:00.017911 Performance: 127.324 ns/day 0.188 hours/ns 7.368 steps/s 2023-04-07 23:16:55,048 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 301400 60280 50.23 -36249 5505.3 -41755 -41755 3.8729 2.5245 0.98562 4.8396e+05 2023-04-07 23:16:56,897 INFO [main.py:643]
{rank 0/100} MD step = 301500 step time: 00:00:00.018080 Performance: 127.356 ns/day 0.188 hours/ns 7.370 steps/s 2023-04-07 23:17:04,823 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 301500 60300 49.955 -36131 5475.1 -41606 -41606 3.8739 2.5246 0.98373 4.8412e+05 2023-04-07 23:17:06,777 INFO [main.py:643]
{rank 0/100} MD step = 301600 step time: 00:00:00.018023 Performance: 127.368 ns/day 0.188 hours/ns 7.371 steps/s 2023-04-07 23:17:28,591 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 301600 60320 49.935 -36190 5472.9 -41663 -41663 3.8764 2.5245 0.98441 4.843e+05 2023-04-07 23:17:30,422 INFO [main.py:643]
{rank 0/100} MD step = 301700 step time: 00:00:00.018017 Performance: 127.337 ns/day 0.188 hours/ns 7.369 steps/s 2023-04-07 23:17:47,906 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 301700 60340 50.338 -36086 5517.1 -41604 -41604 3.8783 2.5261 0.98531 4.8447e+05 2023-04-07 23:17:49,819 INFO [main.py:643]
{rank 0/100} MD step = 301800 step time: 00:00:00.017940 Performance: 127.318 ns/day 0.189 hours/ns 7.368 steps/s 2023-04-07 23:17:55,015 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 301800 60360 50.115 -36182 5492.6 -41674 -41674 3.8823 2.5274 0.98821 4.8462e+05 2023-04-07 23:17:56,902 INFO [main.py:643]
{rank 0/100} MD step = 301900 step time: 00:00:00.017872 Performance: 127.339 ns/day 0.188 hours/ns 7.369 steps/s 2023-04-07 23:18:09,419 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 301900 60380 49.745 -36341 5452.1 -41793 -41793 3.8864 2.5288 0.98752 4.8474e+05 2023-04-07 23:18:15,075 INFO [main.py:643]
{rank 0/100} MD step = 302000 step time: 00:00:00.017946 Performance: 127.324 ns/day 0.188 hours/ns 7.368 steps/s 2023-04-07 23:18:32,599 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 302000 60400 49.341 -36163 5407.8 -41571 -41571 3.8877 2.5273 0.98832 4.8491e+05 2023-04-07 23:18:34,546 INFO [main.py:643]
{rank 0/100} MD step = 302100 step time: 00:00:00.018016 Performance: 127.306 ns/day 0.189 hours/ns 7.367 steps/s 2023-04-07 23:18:43,875 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 302100 60420 49.856 -36147 5464.2 -41611 -41611 3.8918 2.5275 0.98811 4.8506e+05 2023-04-07 23:18:45,852 INFO [main.py:643]
{rank 0/100} MD step = 302200 step time: 00:00:00.017942 Performance: 127.313 ns/day 0.189 hours/ns 7.368 steps/s 2023-04-07 23:19:02,850 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 302200 60440 50.172 -36111 5498.9 -41610 -41610 3.8941 2.5282 0.99043 4.8523e+05 2023-04-07 23:19:04,692 INFO [main.py:643]
{rank 0/100} MD step = 302300 step time: 00:00:00.018025 Performance: 127.297 ns/day 0.189 hours/ns 7.367 steps/s 2023-04-07 23:19:13,964 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 302300 60460 50.132 -36165 5494.5 -41659 -41659 3.8996 2.5277 0.99152 4.8536e+05 2023-04-07 23:19:15,952 INFO [main.py:643]
{rank 0/100} MD step = 302400 step time: 00:00:00.018069 Performance: 127.304 ns/day 0.189 hours/ns 7.367 steps/s 2023-04-07 23:19:20,333 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 302400 60480 50.153 -36248 5496.8 -41745 -41745 3.9006 2.529 0.98897 4.8553e+05 2023-04-07 23:19:22,319 INFO [main.py:643]
{rank 0/100} MD step = 302500 step time: 00:00:00.018017 Performance: 127.326 ns/day 0.188 hours/ns 7.368 steps/s 2023-04-07 23:19:30,767 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 302500 60500 50.26 -36090 5508.6 -41599 -41599 3.9054 2.5299 0.98812 4.857e+05 2023-04-07 23:19:33,246 INFO [main.py:643]
{rank 0/100} MD step = 302600 step time: 00:00:00.017916 Performance: 127.334 ns/day 0.188 hours/ns 7.369 steps/s 2023-04-07 23:19:41,963 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 302600 60520 50.326 -36306 5515.8 -41822 -41822 3.9083 2.5305 0.98993 4.8583e+05 2023-04-07 23:19:47,406 INFO [main.py:643]
{rank 0/100} MD step = 302700 step time: 00:00:00.018548 Performance: 127.333 ns/day 0.188 hours/ns 7.369 steps/s 2023-04-07 23:19:52,545 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 302700 60540 49.386 -36306 5412.7 -41719 -41719 3.9105 2.5308 0.98887 4.8603e+05 2023-04-07 23:19:54,866 INFO [main.py:643]
{rank 0/100} MD step = 302800 step time: 00:00:00.018628 Performance: 127.352 ns/day 0.188 hours/ns 7.370 steps/s 2023-04-07 23:19:56,015 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 302800 60560 50.367 -36150 5520.3 -41670 -41670 3.9131 2.5303 0.9904 4.8617e+05 2023-04-07 23:19:57,880 INFO [main.py:643]
{rank 0/100} MD step = 302900 step time: 00:00:00.020702 Performance: 127.384 ns/day 0.188 hours/ns 7.372 steps/s 2023-04-07 23:20:09,322 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 302900 60580 50.388 -36156 5522.6 -41678 -41678 3.9162 2.5311 0.99061 4.8635e+05 2023-04-07 23:20:11,152 INFO [main.py:643]
{rank 0/100} MD step = 303000 step time: 00:00:00.018016 Performance: 127.385 ns/day 0.188 hours/ns 7.372 steps/s 2023-04-07 23:20:18,181 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 303000 60600 50.165 -36150 5498.2 -41648 -41648 3.9195 2.5308 0.99122 4.865e+05 2023-04-07 23:20:20,294 INFO [main.py:643]
{rank 0/100} MD step = 303100 step time: 00:00:00.018038 Performance: 127.399 ns/day 0.188 hours/ns 7.373 steps/s 2023-04-07 23:20:41,664 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 303100 60620 49.001 -36460 5370.6 -41830 -41830 3.923 2.532 0.99202 4.8661e+05 2023-04-07 23:20:44,334 INFO [main.py:643]
{rank 0/100} MD step = 303200 step time: 00:00:00.018007 Performance: 127.366 ns/day 0.188 hours/ns 7.371 steps/s 2023-04-07 23:21:04,334 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 303200 60640 50.776 -36047 5565.1 -41612 -41612 3.9232 2.534 0.99412 4.8679e+05 2023-04-07 23:21:06,170 INFO [main.py:643]
{rank 0/100} MD step = 303300 step time: 00:00:00.018067 Performance: 127.341 ns/day 0.188 hours/ns 7.369 steps/s 2023-04-07 23:21:28,993 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 303300 60660 49.62 -36409 5438.4 -41847 -41847 3.9248 2.5345 0.99427 4.8691e+05 2023-04-07 23:21:34,868 INFO [main.py:643]
{rank 0/100} MD step = 303400 step time: 00:00:00.018036 Performance: 127.294 ns/day 0.189 hours/ns 7.367 steps/s 2023-04-07 23:21:39,874 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 303400 60680 49.047 -36270 5375.6 -41646 -41646 3.9273 2.5363 0.99363 4.8708e+05 2023-04-07 23:21:41,667 INFO [main.py:643]
{rank 0/100} MD step = 303500 step time: 00:00:00.017987 Performance: 127.315 ns/day 0.189 hours/ns 7.368 steps/s 2023-04-07 23:21:42,984 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 303500 60700 49.382 -36187 5412.3 -41600 -41600 3.9306 2.537 0.99472 4.8726e+05 2023-04-07 23:21:44,904 INFO [main.py:643]
{rank 0/100} MD step = 303600 step time: 00:00:00.017999 Performance: 127.347 ns/day 0.188 hours/ns 7.370 steps/s 2023-04-07 23:21:48,610 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 303600 60720 50.856 -36148 5573.9 -41722 -41722 3.9315 2.5375 0.99392 4.8739e+05 2023-04-07 23:21:50,592 INFO [main.py:643]
{rank 0/100} MD step = 303700 step time: 00:00:00.017992 Performance: 127.371 ns/day 0.188 hours/ns 7.371 steps/s 2023-04-07 23:21:55,906 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 303700 60740 50.755 -36198 5562.8 -41761 -41761 3.9342 2.5385 0.99267 4.8753e+05 2023-04-07 23:21:57,707 INFO [main.py:643]
{rank 0/100} MD step = 303800 step time: 00:00:00.018031 Performance: 127.391 ns/day 0.188 hours/ns 7.372 steps/s 2023-04-07 23:22:05,721 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 303800 60760 50.222 -36214 5504.4 -41719 -41719 3.9377 2.5392 0.99247 4.8772e+05 2023-04-07 23:22:07,616 INFO [main.py:643]
{rank 0/100} MD step = 303900 step time: 00:00:00.019784 Performance: 127.403 ns/day 0.188 hours/ns 7.373 steps/s 2023-04-07 23:22:12,485 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 303900 60780 49.531 -36207 5428.7 -41636 -41636 3.9426 2.5402 0.99137 4.8787e+05 2023-04-07 23:22:14,336 INFO [main.py:643]
{rank 0/100} MD step = 304000 step time: 00:00:00.018077 Performance: 127.424 ns/day 0.188 hours/ns 7.374 steps/s 2023-04-07 23:22:18,946 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 304000 60800 50.409 -36141 5524.8 -41666 -41666 3.9487 2.5417 0.99103 4.8803e+05 2023-04-07 23:22:20,909 INFO [main.py:643]
{rank 0/100} MD step = 304100 step time: 00:00:00.018163 Performance: 127.445 ns/day 0.188 hours/ns 7.375 steps/s 2023-04-07 23:22:25,013 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 304100 60820 49.381 -36340 5412.3 -41753 -41753 3.9531 2.5445 0.99146 4.8818e+05 2023-04-07 23:22:26,982 INFO [main.py:643]
{rank 0/100} MD step = 304200 step time: 00:00:00.018046 Performance: 127.468 ns/day 0.188 hours/ns 7.377 steps/s 2023-04-07 23:22:39,588 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 304200 60840 50.772 -36085 5564.7 -41650 -41650 3.9569 2.5451 0.99178 4.8835e+05 2023-04-07 23:22:41,485 INFO [main.py:643]
{rank 0/100} MD step = 304300 step time: 00:00:00.018030 Performance: 127.465 ns/day 0.188 hours/ns 7.376 steps/s 2023-04-07 23:22:42,813 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 304300 60860 50.02 -36197 5482.2 -41679 -41679 3.9606 2.5446 0.99265 4.885e+05 2023-04-07 23:22:44,613 INFO [main.py:643]
{rank 0/100} MD step = 304400 step time: 00:00:00.017828 Performance: 127.498 ns/day 0.188 hours/ns 7.378 steps/s 2023-04-07 23:22:56,949 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 304400 60880 49.71 -36135 5448.3 -41583 -41583 3.9641 2.5453 0.99283 4.8867e+05 2023-04-07 23:22:58,833 INFO [main.py:643]
{rank 0/100} MD step = 304500 step time: 00:00:00.018037 Performance: 127.496 ns/day 0.188 hours/ns 7.378 steps/s 2023-04-07 23:22:59,822 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 304500 60900 50.396 -36137 5523.5 -41661 -41661 3.9689 2.5451 0.99327 4.8882e+05 2023-04-07 23:23:01,869 INFO [main.py:643]
{rank 0/100} MD step = 304600 step time: 00:00:00.017865 Performance: 127.528 ns/day 0.188 hours/ns 7.380 steps/s 2023-04-07 23:23:05,849 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 304600 60920 50.431 -36132 5527.3 -41659 -41659 3.9732 2.5469 0.99468 4.89e+05 2023-04-07 23:23:07,753 INFO [main.py:643]
{rank 0/100} MD step = 304700 step time: 00:00:00.017906 Performance: 127.552 ns/day 0.188 hours/ns 7.381 steps/s 2023-04-07 23:23:08,938 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 304700 60940 49.83 -36230 5461.5 -41692 -41692 3.9751 2.547 0.99509 4.8917e+05 2023-04-07 23:23:10,731 INFO [main.py:643]
{rank 0/100} MD step = 304800 step time: 00:00:00.018146 Performance: 127.584 ns/day 0.188 hours/ns 7.383 steps/s 2023-04-07 23:23:18,669 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 304800 60960 49.428 -36239 5417.3 -41657 -41657 3.9797 2.5466 0.99602 4.8934e+05 2023-04-07 23:23:20,617 INFO [main.py:643]
{rank 0/100} MD step = 304900 step time: 00:00:00.018303 Performance: 127.596 ns/day 0.188 hours/ns 7.384 steps/s 2023-04-07 23:23:25,436 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 304900 60980 49.964 -36071 5476.2 -41547 -41547 3.9831 2.5467 0.99598 4.8953e+05 2023-04-07 23:23:27,323 INFO [main.py:643]
{rank 0/100} MD step = 305000 step time: 00:00:00.018120 Performance: 127.617 ns/day 0.188 hours/ns 7.385 steps/s 2023-04-07 23:23:35,524 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 305000 61000 50.262 -36278 5508.7 -41787 -41787 3.9867 2.549 0.9941 4.8963e+05 2023-04-07 23:23:37,388 INFO [main.py:643]
{rank 0/100} MD step = 305100 step time: 00:00:00.017969 Performance: 127.628 ns/day 0.188 hours/ns 7.386 steps/s 2023-04-07 23:23:55,065 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 305100 61020 50.558 -36137 5541.2 -41679 -41679 3.9881 2.5492 0.99432 4.898e+05 2023-04-07 23:23:56,960 INFO [main.py:643]
{rank 0/100} MD step = 305200 step time: 00:00:00.017970 Performance: 127.609 ns/day 0.188 hours/ns 7.385 steps/s 2023-04-07 23:24:01,226 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 305200 61040 49.844 -36160 5463 -41623 -41623 3.9912 2.5509 0.99337 4.8997e+05 2023-04-07 23:24:03,075 INFO [main.py:643]
{rank 0/100} MD step = 305300 step time: 00:00:00.017960 Performance: 127.632 ns/day 0.188 hours/ns 7.386 steps/s 2023-04-07 23:24:08,021 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 305300 61060 49.995 -36198 5479.6 -41677 -41677 3.9961 2.5534 0.99358 4.901e+05 2023-04-07 23:24:09,839 INFO [main.py:643]
{rank 0/100} MD step = 305400 step time: 00:00:00.018044 Performance: 127.653 ns/day 0.188 hours/ns 7.387 steps/s 2023-04-07 23:24:10,983 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 305400 61080 49.52 -36247 5427.5 -41674 -41674 3.9993 2.5537 0.99407 4.9029e+05 2023-04-07 23:24:12,849 INFO [main.py:643]
{rank 0/100} MD step = 305500 step time: 00:00:00.018026 Performance: 127.685 ns/day 0.188 hours/ns 7.389 steps/s 2023-04-07 23:24:21,405 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 305500 61100 50.651 -36200 5551.4 -41752 -41752 4.0027 2.5539 0.99497 4.9044e+05 2023-04-07 23:24:23,292 INFO [main.py:643]
{rank 0/100} MD step = 305600 step time: 00:00:00.017809 Performance: 127.695 ns/day 0.188 hours/ns 7.390 steps/s 2023-04-07 23:24:31,689 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 305600 61120 50.48 -36129 5532.7 -41662 -41662 4.0068 2.5551 0.99615 4.9062e+05 2023-04-07 23:24:33,635 INFO [main.py:643]
{rank 0/100} MD step = 305700 step time: 00:00:00.018037 Performance: 127.705 ns/day 0.188 hours/ns 7.390 steps/s 2023-04-07 23:24:46,615 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 305700 61140 49.901 -36206 5469.2 -41675 -41675 4.0082 2.5564 0.99634 4.908e+05 2023-04-07 23:24:48,473 INFO [main.py:643]
{rank 0/100} MD step = 305800 step time: 00:00:00.018084 Performance: 127.701 ns/day 0.188 hours/ns 7.390 steps/s 2023-04-07 23:24:52,940 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 305800 61160 50.058 -36221 5486.4 -41708 -41708 4.0097 2.5553 0.99613 4.9094e+05 2023-04-07 23:24:54,825 INFO [main.py:643]
{rank 0/100} MD step = 305900 step time: 00:00:00.018012 Performance: 127.723 ns/day 0.188 hours/ns 7.391 steps/s 2023-04-07 23:25:04,164 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 305900 61180 50.089 -36229 5489.8 -41718 -41718 4.0122 2.5551 0.99623 4.911e+05 2023-04-07 23:25:06,338 INFO [main.py:643]
{rank 0/100} MD step = 306000 step time: 00:00:00.017884 Performance: 127.729 ns/day 0.188 hours/ns 7.392 steps/s 2023-04-07 23:25:18,760 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 306000 61200 50.195 -36139 5501.4 -41641 -41641 4.0144 2.5563 0.99762 4.9127e+05 2023-04-07 23:25:20,635 INFO [main.py:643]
{rank 0/100} MD step = 306100 step time: 00:00:00.017994 Performance: 127.727 ns/day 0.188 hours/ns 7.392 steps/s 2023-04-07 23:25:21,722 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 306100 61220 50.543 -36158 5539.6 -41697 -41697 4.0176 2.5574 0.99613 4.9144e+05 2023-04-07 23:25:23,574 INFO [main.py:643]
{rank 0/100} MD step = 306200 step time: 00:00:00.018067 Performance: 127.759 ns/day 0.188 hours/ns 7.393 steps/s 2023-04-07 23:25:27,678 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 306200 61240 49.898 -36215 5468.9 -41684 -41684 4.0186 2.5562 0.99663 4.9161e+05 2023-04-07 23:25:29,490 INFO [main.py:643]
{rank 0/100} MD step = 306300 step time: 00:00:00.018043 Performance: 127.783 ns/day 0.188 hours/ns 7.395 steps/s 2023-04-07 23:25:30,534 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 306300 61260 50.249 -36157 5507.4 -41665 -41665 4.021 2.5575 0.99484 4.9176e+05 2023-04-07 23:25:32,496 INFO [main.py:643]
{rank 0/100} MD step = 306400 step time: 00:00:00.017949 Performance: 127.815 ns/day 0.188 hours/ns 7.397 steps/s 2023-04-07 23:25:48,766 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 306400 61280 50.36 -36320 5519.6 -41840 -41840 4.0235 2.5595 0.99385 4.919e+05 2023-04-07 23:25:50,695 INFO [main.py:643]
{rank 0/100} MD step = 306500 step time: 00:00:00.018319 Performance: 127.801 ns/day 0.188 hours/ns 7.396 steps/s 2023-04-07 23:25:52,301 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 306500 61300 50.41 -36187 5525 -41712 -41712 4.0268 2.5601 0.99373 4.9208e+05 2023-04-07 23:25:54,265 INFO [main.py:643]
{rank 0/100} MD step = 306600 step time: 00:00:00.018157 Performance: 127.832 ns/day 0.188 hours/ns 7.398 steps/s 2023-04-07 23:26:02,337 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 306600 61320 49.19 -36298 5391.3 -41690 -41690 4.0291 2.5609 0.99352 4.9225e+05 2023-04-07 23:26:04,312 INFO [main.py:643]
{rank 0/100} MD step = 306700 step time: 00:00:00.017997 Performance: 127.842 ns/day 0.188 hours/ns 7.398 steps/s 2023-04-07 23:26:21,015 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 306700 61340 49.983 -36301 5478.2 -41779 -41779 4.0351 2.5626 0.9935 4.9238e+05 2023-04-07 23:26:23,072 INFO [main.py:643]
{rank 0/100} MD step = 306800 step time: 00:00:00.018273 Performance: 127.826 ns/day 0.188 hours/ns 7.397 steps/s 2023-04-07 23:26:28,031 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 306800 61360 49.575 -36245 5433.5 -41678 -41678 4.0419 2.564 0.9941 4.9256e+05 2023-04-07 23:26:29,881 INFO [main.py:643]
{rank 0/100} MD step = 306900 step time: 00:00:00.018025 Performance: 127.847 ns/day 0.188 hours/ns 7.399 steps/s 2023-04-07 23:26:37,989 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 306900 61380 50.221 -36151 5504.3 -41655 -41655 4.0421 2.5631 0.99424 4.9273e+05 2023-04-07 23:26:39,870 INFO [main.py:643]
{rank 0/100} MD step = 307000 step time: 00:00:00.017924 Performance: 127.858 ns/day 0.188 hours/ns 7.399 steps/s 2023-04-07 23:26:46,932 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 307000 61400 49.762 -36226 5454 -41680 -41680 4.0485 2.5645 0.99484 4.929e+05 2023-04-07 23:26:48,813 INFO [main.py:643]
{rank 0/100} MD step = 307100 step time: 00:00:00.017948 Performance: 127.872 ns/day 0.188 hours/ns 7.400 steps/s 2023-04-07 23:27:01,971 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 307100 61420 49.847 -36279 5463.3 -41742 -41742 4.0538 2.5646 0.99388 4.9305e+05 2023-04-07 23:27:03,837 INFO [main.py:643]
{rank 0/100} MD step = 307200 step time: 00:00:00.017966 Performance: 127.867 ns/day 0.188 hours/ns 7.400 steps/s 2023-04-07 23:27:04,995 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 307200 61440 50.339 -36196 5517.2 -41713 -41713 4.0563 2.5669 0.99286 4.9321e+05 2023-04-07 23:27:06,864 INFO [main.py:643]
{rank 0/100} MD step = 307300 step time: 00:00:00.018043 Performance: 127.899 ns/day 0.188 hours/ns 7.402 steps/s 2023-04-07 23:27:16,134 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 307300 61460 49.552 -36142 5431 -41573 -41573 4.0592 2.5671 0.9947 4.9342e+05 2023-04-07 23:27:18,033 INFO [main.py:643]
{rank 0/100} MD step = 307400 step time: 00:00:00.018039 Performance: 127.907 ns/day 0.188 hours/ns 7.402 steps/s 2023-04-07 23:27:36,086 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 307400 61480 49.594 -36191 5435.5 -41626 -41626 4.0627 2.5697 0.99453 4.9357e+05 2023-04-07 23:27:37,978 INFO [main.py:643]
{rank 0/100} MD step = 307500 step time: 00:00:00.018021 Performance: 127.887 ns/day 0.188 hours/ns 7.401 steps/s 2023-04-07 23:27:42,663 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 307500 61500 49.707 -36198 5448 -41646 -41646 4.0647 2.5717 0.99667 4.9372e+05 2023-04-07 23:27:44,530 INFO [main.py:643]
{rank 0/100} MD step = 307600 step time: 00:00:00.017955 Performance: 127.908 ns/day 0.188 hours/ns 7.402 steps/s 2023-04-07 23:27:45,761 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 307600 61520 49.98 -36253 5477.8 -41731 -41731 4.0655 2.5726 0.99735 4.939e+05 2023-04-07 23:27:47,565 INFO [main.py:643]
{rank 0/100} MD step = 307700 step time: 00:00:00.018012 Performance: 127.940 ns/day 0.188 hours/ns 7.404 steps/s 2023-04-07 23:28:04,076 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 307700 61540 50.001 -36123 5480.1 -41603 -41603 4.0699 2.5736 0.99895 4.9408e+05 2023-04-07 23:28:05,918 INFO [main.py:643]
{rank 0/100} MD step = 307800 step time: 00:00:00.018671 Performance: 127.925 ns/day 0.188 hours/ns 7.403 steps/s 2023-04-07 23:28:11,064 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 307800 61560 49.487 -36329 5423.9 -41753 -41753 4.0718 2.574 0.99731 4.9423e+05 2023-04-07 23:28:12,892 INFO [main.py:643]
{rank 0/100} MD step = 307900 step time: 00:00:00.018054 Performance: 127.946 ns/day 0.188 hours/ns 7.404 steps/s 2023-04-07 23:28:16,797 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 307900 61580 50.197 -36152 5501.7 -41654 -41654 4.0725 2.5752 0.99756 4.9441e+05 2023-04-07 23:28:18,632 INFO [main.py:643]
{rank 0/100} MD step = 308000 step time: 00:00:00.018063 Performance: 127.969 ns/day 0.188 hours/ns 7.406 steps/s 2023-04-07 23:28:23,750 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 308000 61600 49.616 -36275 5438 -41713 -41713 4.076 2.575 0.99863 4.9454e+05 2023-04-07 23:28:25,580 INFO [main.py:643]
{rank 0/100} MD step = 308100 step time: 00:00:00.018081 Performance: 127.990 ns/day 0.188 hours/ns 7.407 steps/s 2023-04-07 23:28:38,345 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 308100 61620 50.063 -36277 5486.9 -41764 -41764 4.0793 2.5743 0.99897 4.9472e+05 2023-04-07 23:28:40,203 INFO [main.py:643]
{rank 0/100} MD step = 308200 step time: 00:00:00.017983 Performance: 127.986 ns/day 0.188 hours/ns 7.407 steps/s 2023-04-07 23:28:49,133 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 308200 61640 49.958 -36173 5475.5 -41649 -41649 4.0824 2.5758 0.99839 4.9491e+05 2023-04-07 23:28:51,001 INFO [main.py:643]
{rank 0/100} MD step = 308300 step time: 00:00:00.017909 Performance: 127.994 ns/day 0.188 hours/ns 7.407 steps/s 2023-04-07 23:28:59,963 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 308300 61660 49.692 -36144 5446.3 -41590 -41590 4.0837 2.5779 0.99844 4.9507e+05 2023-04-07 23:29:01,838 INFO [main.py:643]
{rank 0/100} MD step = 308400 step time: 00:00:00.017951 Performance: 128.003 ns/day 0.187 hours/ns 7.408 steps/s 2023-04-07 23:29:06,201 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 308400 61680 49.89 -36310 5468 -41778 -41778 4.0862 2.5788 1.0006 4.9519e+05 2023-04-07 23:29:08,232 INFO [main.py:643]
{rank 0/100} MD step = 308500 step time: 00:00:00.018080 Performance: 128.025 ns/day 0.187 hours/ns 7.409 steps/s 2023-04-07 23:29:09,409 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 308500 61700 50.472 -36162 5531.8 -41694 -41694 4.0888 2.5796 0.99992 4.9539e+05 2023-04-07 23:29:11,246 INFO [main.py:643]
{rank 0/100} MD step = 308600 step time: 00:00:00.018276 Performance: 128.057 ns/day 0.187 hours/ns 7.411 steps/s 2023-04-07 23:29:12,435 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 308600 61720 49.814 -36158 5459.7 -41617 -41617 4.0945 2.5802 0.99895 4.9556e+05 2023-04-07 23:29:14,291 INFO [main.py:643]
{rank 0/100} MD step = 308700 step time: 00:00:00.018031 Performance: 128.089 ns/day 0.187 hours/ns 7.413 steps/s 2023-04-07 23:29:27,601 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 308700 61740 49.492 -36236 5424.4 -41661 -41661 4.0975 2.58 0.99788 4.9574e+05 2023-04-07 23:29:29,529 INFO [main.py:643]
{rank 0/100} MD step = 308800 step time: 00:00:00.018118 Performance: 128.084 ns/day 0.187 hours/ns 7.412 steps/s 2023-04-07 23:29:42,972 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 308800 61760 50.333 -36162 5516.6 -41679 -41679 4.0998 2.58 0.99808 4.9589e+05 2023-04-07 23:29:44,879 INFO [main.py:643]
{rank 0/100} MD step = 308900 step time: 00:00:00.017932 Performance: 128.078 ns/day 0.187 hours/ns 7.412 steps/s 2023-04-07 23:29:49,546 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 308900 61780 50.389 -36091 5522.7 -41614 -41614 4.1024 2.5808 0.99895 4.9605e+05 2023-04-07 23:29:51,461 INFO [main.py:643]
{rank 0/100} MD step = 309000 step time: 00:00:00.017988 Performance: 128.099 ns/day 0.187 hours/ns 7.413 steps/s 2023-04-07 23:29:56,373 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 309000 61800 49.833 -36280 5461.8 -41741 -41741 4.106 2.584 0.99969 4.9618e+05 2023-04-07 23:29:58,266 INFO [main.py:643]
{rank 0/100} MD step = 309100 step time: 00:00:00.018232 Performance: 128.120 ns/day 0.187 hours/ns 7.414 steps/s 2023-04-07 23:30:06,428 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 309100 61820 50.024 -36238 5482.7 -41721 -41721 4.1079 2.5829 1.0004 4.9633e+05 2023-04-07 23:30:08,322 INFO [main.py:643]
{rank 0/100} MD step = 309200 step time: 00:00:00.018101 Performance: 128.130 ns/day 0.187 hours/ns 7.415 steps/s 2023-04-07 23:30:17,539 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 309200 61840 49.772 -36210 5455.1 -41665 -41665 4.1128 2.5835 1.0009 4.9653e+05 2023-04-07 23:30:19,701 INFO [main.py:643]
{rank 0/100} MD step = 309300 step time: 00:00:00.018159 Performance: 128.137 ns/day 0.187 hours/ns 7.415 steps/s 2023-04-07 23:30:23,868 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 309300 61860 49.584 -36370 5434.5 -41805 -41805 4.1171 2.5844 1.0014 4.967e+05 2023-04-07 23:30:25,818 INFO [main.py:643]
{rank 0/100} MD step = 309400 step time: 00:00:00.017998 Performance: 128.159 ns/day 0.187 hours/ns 7.417 steps/s 2023-04-07 23:30:26,936 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 309400 61880 49.688 -36228 5445.9 -41674 -41674 4.1199 2.5841 1.0035 4.9687e+05 2023-04-07 23:30:28,839 INFO [main.py:643]
{rank 0/100} MD step = 309500 step time: 00:00:00.017957 Performance: 128.191 ns/day 0.187 hours/ns 7.418 steps/s 2023-04-07 23:30:49,487 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 309500 61900 49.432 -36302 5417.8 -41720 -41720 4.1229 2.5847 1.0023 4.9701e+05 2023-04-07 23:30:51,456 INFO [main.py:643]
{rank 0/100} MD step = 309600 step time: 00:00:00.018082 Performance: 128.163 ns/day 0.187 hours/ns 7.417 steps/s 2023-04-07 23:30:56,751 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 309600 61920 50.1 -36243 5491 -41734 -41734 4.1276 2.5852 1.0037 4.9717e+05 2023-04-07 23:30:58,646 INFO [main.py:643]
{rank 0/100} MD step = 309700 step time: 00:00:00.018131 Performance: 128.183 ns/day 0.187 hours/ns 7.418 steps/s 2023-04-07 23:31:06,569 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 309700 61940 49.21 -36246 5393.4 -41640 -41640 4.1299 2.588 1.004 4.9733e+05 2023-04-07 23:31:08,550 INFO [main.py:643]
{rank 0/100} MD step = 309800 step time: 00:00:00.018063 Performance: 128.194 ns/day 0.187 hours/ns 7.419 steps/s 2023-04-07 23:31:13,702 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 309800 61960 50.819 -36176 5569.8 -41746 -41746 4.1335 2.5918 1.0043 4.9749e+05 2023-04-07 23:31:15,591 INFO [main.py:643]
{rank 0/100} MD step = 309900 step time: 00:00:00.018162 Performance: 128.213 ns/day 0.187 hours/ns 7.420 steps/s 2023-04-07 23:31:28,324 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 309900 61980 50.26 -36204 5508.6 -41712 -41712 4.1384 2.5939 1.0049 4.9766e+05 2023-04-07 23:31:30,340 INFO [main.py:643]
{rank 0/100} MD step = 310000 step time: 00:00:00.018065 Performance: 128.209 ns/day 0.187 hours/ns 7.420 steps/s 2023-04-07 23:31:38,740 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 310000 62000 49.8 -36243 5458.1 -41701 -41701 4.1412 2.5962 1.0052 4.9782e+05 2023-04-07 23:31:40,699 INFO [main.py:643]
{rank 0/100} MD step = 310100 step time: 00:00:00.018033 Performance: 128.219 ns/day 0.187 hours/ns 7.420 steps/s 2023-04-07 23:31:53,782 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 310100 62020 50.388 -36122 5522.6 -41645 -41645 4.1432 2.5974 1.0053 4.9799e+05 2023-04-07 23:31:55,674 INFO [main.py:643]
{rank 0/100} MD step = 310200 step time: 00:00:00.018022 Performance: 128.214 ns/day 0.187 hours/ns 7.420 steps/s 2023-04-07 23:32:21,154 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 310200 62040 50.06 -36043 5486.6 -41530 -41530 4.1439 2.5991 1.0058 4.9817e+05 2023-04-07 23:32:23,325 INFO [main.py:643]
{rank 0/100} MD step = 310300 step time: 00:00:00.017862 Performance: 128.171 ns/day 0.187 hours/ns 7.417 steps/s 2023-04-07 23:32:43,493 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 310300 62060 49.857 -36167 5464.4 -41632 -41632 4.1473 2.5993 1.0074 4.9832e+05 2023-04-07 23:32:45,380 INFO [main.py:643]
{rank 0/100} MD step = 310400 step time: 00:00:00.018000 Performance: 128.145 ns/day 0.187 hours/ns 7.416 steps/s 2023-04-07 23:32:56,776 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 310400 62080 50.247 -36203 5507.1 -41710 -41710 4.1496 2.5993 1.0087 4.9846e+05 2023-04-07 23:32:58,631 INFO [main.py:643]
{rank 0/100} MD step = 310500 step time: 00:00:00.018171 Performance: 128.145 ns/day 0.187 hours/ns 7.416 steps/s 2023-04-07 23:33:04,772 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 310500 62100 50.476 -36217 5532.3 -41750 -41750 4.1544 2.6017 1.0104 4.9861e+05 2023-04-07 23:33:06,629 INFO [main.py:643]
{rank 0/100} MD step = 310600 step time: 00:00:00.018038 Performance: 128.162 ns/day 0.187 hours/ns 7.417 steps/s 2023-04-07 23:33:07,913 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 310600 62120 50.284 -36104 5511.2 -41615 -41615 4.1574 2.603 1.0102 4.9877e+05 2023-04-07 23:33:09,740 INFO [main.py:643]
{rank 0/100} MD step = 310700 step time: 00:00:00.017959 Performance: 128.194 ns/day 0.187 hours/ns 7.419 steps/s 2023-04-07 23:33:10,891 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 310700 62140 49.891 -36308 5468.1 -41776 -41776 4.1605 2.604 1.0102 4.9891e+05 2023-04-07 23:33:12,742 INFO [main.py:643]
{rank 0/100} MD step = 310800 step time: 00:00:00.017997 Performance: 128.226 ns/day 0.187 hours/ns 7.420 steps/s 2023-04-07 23:33:13,421 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 310800 62160 49.767 -36237 5454.5 -41691 -41691 4.1644 2.6031 1.0118 4.9907e+05 2023-04-07 23:33:15,755 INFO [main.py:643]
{rank 0/100} MD step = 310900 step time: 00:00:00.018035 Performance: 128.258 ns/day 0.187 hours/ns 7.422 steps/s 2023-04-07 23:33:20,031 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 310900 62180 50.41 -36160 5525 -41685 -41685 4.1678 2.6056 1.0123 4.9923e+05 2023-04-07 23:33:22,011 INFO [main.py:643]
{rank 0/100} MD step = 311000 step time: 00:00:00.017988 Performance: 128.280 ns/day 0.187 hours/ns 7.424 steps/s 2023-04-07 23:33:43,592 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 311000 62200 49.582 -36367 5434.3 -41802 -41802 4.1727 2.6054 1.0134 4.9938e+05 2023-04-07 23:33:45,439 INFO [main.py:643]
{rank 0/100} MD step = 311100 step time: 00:00:00.018007 Performance: 128.250 ns/day 0.187 hours/ns 7.422 steps/s 2023-04-07 23:33:58,739 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 311100 62220 50.604 -36178 5546.2 -41724 -41724 4.1789 2.6063 1.0145 4.9956e+05 2023-04-07 23:34:00,665 INFO [main.py:643]
{rank 0/100} MD step = 311200 step time: 00:00:00.018166 Performance: 128.244 ns/day 0.187 hours/ns 7.422 steps/s 2023-04-07 23:34:22,056 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 311200 62240 50.394 -36178 5523.3 -41701 -41701 4.179 2.6082 1.0145 4.997e+05 2023-04-07 23:34:24,763 INFO [main.py:643]
{rank 0/100} MD step = 311300 step time: 00:00:00.018124 Performance: 128.212 ns/day 0.187 hours/ns 7.420 steps/s 2023-04-07 23:34:30,058 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 311300 62260 48.978 -36308 5368.1 -41676 -41676 4.1817 2.6087 1.0149 4.9988e+05 2023-04-07 23:34:31,884 INFO [main.py:643]
{rank 0/100} MD step = 311400 step time: 00:00:00.017952 Performance: 128.231 ns/day 0.187 hours/ns 7.421 steps/s 2023-04-07 23:34:57,480 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 311400 62280 49.702 -36337 5447.4 -41784 -41784 4.183 2.6084 1.0149 5e+05 2023-04-07 23:34:59,288 INFO [main.py:643]
{rank 0/100} MD step = 311500 step time: 00:00:00.017990 Performance: 128.189 ns/day 0.187 hours/ns 7.418 steps/s 2023-04-07 23:35:01,438 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 311500 62300 50.021 -36177 5482.3 -41659 -41659 4.1867 2.6099 1.0169 5.0016e+05 2023-04-07 23:35:03,342 INFO [main.py:643]
{rank 0/100} MD step = 311600 step time: 00:00:00.018001 Performance: 128.218 ns/day 0.187 hours/ns 7.420 steps/s 2023-04-07 23:35:15,756 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 311600 62320 50.299 -36176 5512.8 -41689 -41689 4.1889 2.6096 1.018 5.0031e+05 2023-04-07 23:35:17,710 INFO [main.py:643]
{rank 0/100} MD step = 311700 step time: 00:00:00.017821 Performance: 128.215 ns/day 0.187 hours/ns 7.420 steps/s 2023-04-07 23:35:23,586 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 311700 62340 49.978 -36216 5477.6 -41693 -41693 4.1944 2.6093 1.019 5.0048e+05 2023-04-07 23:35:25,558 INFO [main.py:643]
{rank 0/100} MD step = 311800 step time: 00:00:00.018090 Performance: 128.232 ns/day 0.187 hours/ns 7.421 steps/s 2023-04-07 23:35:46,091 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 311800 62360 49.862 -36199 5464.9 -41664 -41664 4.1981 2.6094 1.0184 5.0062e+05 2023-04-07 23:35:51,661 INFO [main.py:643]
{rank 0/100} MD step = 311900 step time: 00:00:00.018033 Performance: 128.193 ns/day 0.187 hours/ns 7.419 steps/s 2023-04-07 23:35:57,049 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 311900 62380 50.364 -36198 5520 -41718 -41718 4.2008 2.6092 1.0182 5.0076e+05 2023-04-07 23:35:58,919 INFO [main.py:643]
{rank 0/100} MD step = 312000 step time: 00:00:00.017964 Performance: 128.212 ns/day 0.187 hours/ns 7.420 steps/s 2023-04-07 23:36:15,963 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 312000 62400 50.58 -36306 5543.6 -41850 -41850 4.2006 2.6115 1.0183 5.0091e+05 2023-04-07 23:36:17,907 INFO [main.py:643]
{rank 0/100} MD step = 312100 step time: 00:00:00.020934 Performance: 128.196 ns/day 0.187 hours/ns 7.419 steps/s 2023-04-07 23:36:31,019 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 312100 62420 50.228 -36180 5505.1 -41685 -41685 4.2035 2.6128 1.0184 5.0109e+05 2023-04-07 23:36:32,991 INFO [main.py:643]
{rank 0/100} MD step = 312200 step time: 00:00:00.018031 Performance: 128.191 ns/day 0.187 hours/ns 7.418 steps/s 2023-04-07 23:36:45,877 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 312200 62440 50.065 -36242 5487.2 -41729 -41729 4.2086 2.6143 1.0198 5.0128e+05 2023-04-07 23:36:47,819 INFO [main.py:643]
{rank 0/100} MD step = 312300 step time: 00:00:00.017904 Performance: 128.187 ns/day 0.187 hours/ns 7.418 steps/s 2023-04-07 23:37:05,446 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 312300 62460 50.307 -36294 5513.7 -41807 -41807 4.213 2.6154 1.0204 5.0143e+05 2023-04-07 23:37:07,279 INFO [main.py:643]
{rank 0/100} MD step = 312400 step time: 00:00:00.018012 Performance: 128.168 ns/day 0.187 hours/ns 7.417 steps/s 2023-04-07 23:37:20,267 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 312400 62480 49.546 -36165 5430.2 -41595 -41595 4.2148 2.6158 1.0207 5.0164e+05 2023-04-07 23:37:22,164 INFO [main.py:643]
{rank 0/100} MD step = 312500 step time: 00:00:00.017885 Performance: 128.164 ns/day 0.187 hours/ns 7.417 steps/s 2023-04-07 23:37:35,041 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 312500 62500 49.758 -36298 5453.5 -41752 -41752 4.2188 2.6168 1.0202 5.0174e+05 2023-04-07 23:37:36,853 INFO [main.py:643]
{rank 0/100} MD step = 312600 step time: 00:00:00.017973 Performance: 128.161 ns/day 0.187 hours/ns 7.417 steps/s 2023-04-07 23:37:58,950 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 312600 62520 50.862 -36065 5574.6 -41639 -41639 4.221 2.618 1.0194 5.0191e+05 2023-04-07 23:38:00,906 INFO [main.py:643]
{rank 0/100} MD step = 312700 step time: 00:00:00.017770 Performance: 128.128 ns/day 0.187 hours/ns 7.415 steps/s 2023-04-07 23:38:18,059 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 312700 62540 51.571 -36015 5652.2 -41668 -41668 4.2255 2.6176 1.0179 5.0206e+05 2023-04-07 23:38:19,954 INFO [main.py:643]
{rank 0/100} MD step = 312800 step time: 00:00:00.018114 Performance: 128.112 ns/day 0.187 hours/ns 7.414 steps/s 2023-04-07 23:38:31,331 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 312800 62560 50.261 -36113 5508.6 -41621 -41621 4.2278 2.6193 1.0206 5.0222e+05 2023-04-07 23:38:37,026 INFO [main.py:643]
{rank 0/100} MD step = 312900 step time: 00:00:00.018038 Performance: 128.101 ns/day 0.187 hours/ns 7.413 steps/s 2023-04-07 23:38:40,684 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 312900 62580 50.475 -36271 5532.2 -41803 -41803 4.2326 2.6206 1.021 5.0237e+05 2023-04-07 23:38:42,513 INFO [main.py:643]
{rank 0/100} MD step = 313000 step time: 00:00:00.018094 Performance: 128.125 ns/day 0.187 hours/ns 7.415 steps/s 2023-04-07 23:38:54,989 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 313000 62600 50.235 -36150 5505.8 -41655 -41655 4.2347 2.6197 1.0223 5.0256e+05 2023-04-07 23:39:04,942 INFO [main.py:643]
{rank 0/100} MD step = 313100 step time: 00:00:00.018246 Performance: 128.098 ns/day 0.187 hours/ns 7.413 steps/s 2023-04-07 23:39:22,520 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 313100 62620 50.134 -36216 5494.8 -41710 -41710 4.2395 2.6214 1.0212 5.027e+05 2023-04-07 23:39:24,338 INFO [main.py:643]
{rank 0/100} MD step = 313200 step time: 00:00:00.018014 Performance: 128.080 ns/day 0.187 hours/ns 7.412 steps/s 2023-04-07 23:39:34,269 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 313200 62640 50.242 -36177 5506.6 -41684 -41684 4.2412 2.6216 1.0198 5.0287e+05 2023-04-07 23:39:36,109 INFO [main.py:643]
{rank 0/100} MD step = 313300 step time: 00:00:00.018104 Performance: 128.085 ns/day 0.187 hours/ns 7.412 steps/s 2023-04-07 23:39:44,202 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 313300 62660 49.283 -36352 5401.5 -41754 -41754 4.2455 2.6206 1.0214 5.0304e+05 2023-04-07 23:39:46,029 INFO [main.py:643]
{rank 0/100} MD step = 313400 step time: 00:00:00.018757 Performance: 128.096 ns/day 0.187 hours/ns 7.413 steps/s 2023-04-07 23:40:08,072 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 313400 62680 50.324 -36178 5515.6 -41694 -41694 4.2524 2.622 1.0223 5.0319e+05 2023-04-07 23:40:13,670 INFO [main.py:643]
{rank 0/100} MD step = 313500 step time: 00:00:00.017925 Performance: 128.053 ns/day 0.187 hours/ns 7.410 steps/s 2023-04-07 23:40:31,450 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 313500 62700 49.825 -36259 5460.8 -41720 -41720 4.2568 2.6237 1.0232 5.0338e+05 2023-04-07 23:40:33,306 INFO [main.py:643]
{rank 0/100} MD step = 313600 step time: 00:00:00.017941 Performance: 128.034 ns/day 0.187 hours/ns 7.409 steps/s 2023-04-07 23:40:42,892 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 313600 62720 49.455 -36266 5420.4 -41686 -41686 4.2611 2.6236 1.0237 5.0354e+05 2023-04-07 23:40:44,814 INFO [main.py:643]
{rank 0/100} MD step = 313700 step time: 00:00:00.017974 Performance: 128.040 ns/day 0.187 hours/ns 7.410 steps/s 2023-04-07 23:40:57,128 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 313700 62740 50.245 -36213 5506.9 -41720 -41720 4.2671 2.6253 1.0232 5.0369e+05 2023-04-07 23:40:58,986 INFO [main.py:643]
{rank 0/100} MD step = 313800 step time: 00:00:00.018190 Performance: 128.038 ns/day 0.187 hours/ns 7.410 steps/s 2023-04-07 23:41:08,183 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 313800 62760 49.571 -36211 5433 -41644 -41644 4.2675 2.6268 1.0238 5.0386e+05 2023-04-07 23:41:10,235 INFO [main.py:643]
{rank 0/100} MD step = 313900 step time: 00:00:00.031571 Performance: 128.045 ns/day 0.187 hours/ns 7.410 steps/s 2023-04-07 23:41:40,201 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 313900 62780 49.995 -36181 5479.6 -41661 -41661 4.2719 2.6262 1.0231 5.04e+05 2023-04-07 23:41:46,100 INFO [main.py:643]
{rank 0/100} MD step = 314000 step time: 00:00:00.018166 Performance: 127.978 ns/day 0.188 hours/ns 7.406 steps/s 2023-04-07 23:42:00,235 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 314000 62800 49.203 -36319 5392.7 -41712 -41712 4.2753 2.6275 1.0231 5.0416e+05 2023-04-07 23:42:02,228 INFO [main.py:643]
{rank 0/100} MD step = 314100 step time: 00:00:00.018023 Performance: 127.970 ns/day 0.188 hours/ns 7.406 steps/s 2023-04-07 23:42:23,024 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 314100 62820 49.579 -36318 5433.9 -41752 -41752 4.2812 2.629 1.0246 5.0433e+05 2023-04-07 23:42:29,075 INFO [main.py:643]
{rank 0/100} MD step = 314200 step time: 00:00:00.017941 Performance: 127.930 ns/day 0.188 hours/ns 7.403 steps/s 2023-04-07 23:42:34,053 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 314200 62840 49.75 -36261 5452.7 -41714 -41714 4.2856 2.6293 1.0253 5.045e+05 2023-04-07 23:42:35,912 INFO [main.py:643]
{rank 0/100} MD step = 314300 step time: 00:00:00.017939 Performance: 127.950 ns/day 0.188 hours/ns 7.404 steps/s 2023-04-07 23:42:53,539 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 314300 62860 50.905 -36041 5579.3 -41620 -41620 4.2869 2.63 1.0251 5.0468e+05 2023-04-07 23:42:55,418 INFO [main.py:643]
{rank 0/100} MD step = 314400 step time: 00:00:00.018053 Performance: 127.932 ns/day 0.188 hours/ns 7.403 steps/s 2023-04-07 23:43:03,816 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 314400 62880 48.999 -36290 5370.3 -41660 -41660 4.2907 2.6309 1.0263 5.0483e+05 2023-04-07 23:43:09,733 INFO [main.py:643]
{rank 0/100} MD step = 314500 step time: 00:00:00.018107 Performance: 127.929 ns/day 0.188 hours/ns 7.403 steps/s 2023-04-07 23:43:16,899 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 314500 62900 50.29 -36127 5511.9 -41638 -41638 4.2949 2.6321 1.0248 5.0498e+05 2023-04-07 23:43:18,716 INFO [main.py:643]
{rank 0/100} MD step = 314600 step time: 00:00:00.017936 Performance: 127.943 ns/day 0.188 hours/ns 7.404 steps/s 2023-04-07 23:43:27,913 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 314600 62920 50.279 -36174 5510.6 -41685 -41685 4.2985 2.6338 1.0234 5.0514e+05 2023-04-07 23:43:29,756 INFO [main.py:643]
{rank 0/100} MD step = 314700 step time: 00:00:00.018503 Performance: 127.950 ns/day 0.188 hours/ns 7.405 steps/s 2023-04-07 23:43:33,925 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 314700 62940 50.267 -36116 5509.4 -41626 -41626 4.3026 2.6337 1.0228 5.053e+05 2023-04-07 23:43:35,849 INFO [main.py:643]
{rank 0/100} MD step = 314800 step time: 00:00:00.018030 Performance: 127.972 ns/day 0.188 hours/ns 7.406 steps/s 2023-04-07 23:43:44,697 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 314800 62960 50.385 -36264 5522.2 -41786 -41786 4.3055 2.6328 1.0233 5.0546e+05 2023-04-07 23:43:46,539 INFO [main.py:643]
{rank 0/100} MD step = 314900 step time: 00:00:00.017916 Performance: 127.981 ns/day 0.188 hours/ns 7.406 steps/s 2023-04-07 23:44:08,144 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 314900 62980 50.233 -36173 5505.6 -41679 -41679 4.3103 2.6331 1.0228 5.0561e+05 2023-04-07 23:44:09,997 INFO [main.py:643]
{rank 0/100} MD step = 315000 step time: 00:00:00.018099 Performance: 127.951 ns/day 0.188 hours/ns 7.405 steps/s 2023-04-07 23:44:17,315 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 315000 63000 49.559 -36147 5431.8 -41579 -41579 4.3133 2.6339 1.0236 5.058e+05 2023-04-07 23:44:19,321 INFO [main.py:643]
{rank 0/100} MD step = 315100 step time: 00:00:00.018196 Performance: 127.964 ns/day 0.188 hours/ns 7.405 steps/s 2023-04-07 23:44:36,182 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 315100 63020 49.72 -36204 5449.4 -41654 -41654 4.315 2.6349 1.0236 5.0594e+05 2023-04-07 23:44:38,212 INFO [main.py:643]
{rank 0/100} MD step = 315200 step time: 00:00:00.018405 Performance: 127.947 ns/day 0.188 hours/ns 7.404 steps/s 2023-04-07 23:44:39,319 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 315200 63040 49.611 -36287 5437.4 -41724 -41724 4.3181 2.6365 1.0234 5.0611e+05 2023-04-07 23:44:41,614 INFO [main.py:643]
{rank 0/100} MD step = 315300 step time: 00:00:00.018179 Performance: 127.978 ns/day 0.188 hours/ns 7.406 steps/s 2023-04-07 23:44:51,274 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 315300 63060 49.922 -36134 5471.5 -41605 -41605 4.3243 2.6387 1.0249 5.0628e+05 2023-04-07 23:44:53,109 INFO [main.py:643]
{rank 0/100} MD step = 315400 step time: 00:00:00.018232 Performance: 127.984 ns/day 0.188 hours/ns 7.406 steps/s 2023-04-07 23:45:27,743 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 315400 63080 49.103 -36395 5381.7 -41777 -41777 4.3282 2.6395 1.0263 5.0639e+05 2023-04-07 23:45:29,613 INFO [main.py:643]
{rank 0/100} MD step = 315500 step time: 00:00:00.017861 Performance: 127.915 ns/day 0.188 hours/ns 7.402 steps/s 2023-04-07 23:45:47,108 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 315500 63100 50.371 -36265 5520.8 -41786 -41786 4.3354 2.6407 1.0255 5.0653e+05 2023-04-07 23:45:49,007 INFO [main.py:643]
{rank 0/100} MD step = 315600 step time: 00:00:00.018065 Performance: 127.897 ns/day 0.188 hours/ns 7.401 steps/s 2023-04-07 23:45:57,796 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 315600 63120 50.906 -36008 5579.4 -41588 -41588 4.3398 2.6404 1.0261 5.0674e+05 2023-04-07 23:46:03,768 INFO [main.py:643]
{rank 0/100} MD step = 315700 step time: 00:00:00.018008 Performance: 127.893 ns/day 0.188 hours/ns 7.401 steps/s 2023-04-07 23:46:23,811 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 315700 63140 49.033 -36251 5374 -41625 -41625 4.3444 2.6414 1.0261 5.0688e+05 2023-04-07 23:46:25,663 INFO [main.py:643]
{rank 0/100} MD step = 315800 step time: 00:00:00.017894 Performance: 127.868 ns/day 0.188 hours/ns 7.400 steps/s 2023-04-07 23:46:30,785 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 315800 63160 50.144 -36155 5495.9 -41651 -41651 4.3492 2.6417 1.0257 5.0703e+05 2023-04-07 23:46:32,667 INFO [main.py:643]
{rank 0/100} MD step = 315900 step time: 00:00:00.018042 Performance: 127.888 ns/day 0.188 hours/ns 7.401 steps/s 2023-04-07 23:46:39,121 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 315900 63180 49.64 -36211 5440.6 -41651 -41651 4.3523 2.6433 1.0256 5.072e+05 2023-04-07 23:46:41,044 INFO [main.py:643]
{rank 0/100} MD step = 316000 step time: 00:00:00.018036 Performance: 127.903 ns/day 0.188 hours/ns 7.402 steps/s 2023-04-07 23:46:45,457 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 316000 63200 49.466 -36352 5421.6 -41774 -41774 4.3544 2.6433 1.027 5.0732e+05 2023-04-07 23:46:50,927 INFO [main.py:643]
{rank 0/100} MD step = 316100 step time: 00:00:00.017984 Performance: 127.914 ns/day 0.188 hours/ns 7.402 steps/s 2023-04-07 23:46:58,337 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 316100 63220 49.87 -36254 5465.9 -41720 -41720 4.3559 2.6441 1.028 5.0747e+05 2023-04-07 23:47:00,260 INFO [main.py:643]
{rank 0/100} MD step = 316200 step time: 00:00:00.017991 Performance: 127.926 ns/day 0.188 hours/ns 7.403 steps/s 2023-04-07 23:47:25,621 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 316200 63240 49.426 -36295 5417.2 -41712 -41712 4.3583 2.6447 1.0289 5.0764e+05 2023-04-07 23:47:27,524 INFO [main.py:643]
{rank 0/100} MD step = 316300 step time: 00:00:00.018106 Performance: 127.885 ns/day 0.188 hours/ns 7.401 steps/s 2023-04-07 23:47:40,651 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 316300 63260 50.361 -36141 5519.6 -41660 -41660 4.3607 2.6461 1.0289 5.0779e+05 2023-04-07 23:47:42,546 INFO [main.py:643]
{rank 0/100} MD step = 316400 step time: 00:00:00.017931 Performance: 127.881 ns/day 0.188 hours/ns 7.401 steps/s 2023-04-07 23:47:51,796 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 316400 63280 49.463 -36253 5421.2 -41674 -41674 4.3652 2.6452 1.0303 5.0795e+05 2023-04-07 23:47:53,676 INFO [main.py:643]
{rank 0/100} MD step = 316500 step time: 00:00:00.017924 Performance: 127.888 ns/day 0.188 hours/ns 7.401 steps/s 2023-04-07 23:48:19,707 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 316500 63300 49.738 -36199 5451.3 -41650 -41650 4.369 2.6459 1.031 5.0815e+05 2023-04-07 23:48:21,597 INFO [main.py:643]
{rank 0/100} MD step = 316600 step time: 00:00:00.018058 Performance: 127.845 ns/day 0.188 hours/ns 7.398 steps/s 2023-04-07 23:48:47,569 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 316600 63320 49.893 -36235 5468.3 -41703 -41703 4.3734 2.647 1.0316 5.083e+05 2023-04-07 23:48:49,554 INFO [main.py:643]
{rank 0/100} MD step = 316700 step time: 00:00:00.018393 Performance: 127.802 ns/day 0.188 hours/ns 7.396 steps/s 2023-04-07 23:49:02,647 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 316700 63340 50.485 -36130 5533.3 -41663 -41663 4.3788 2.6468 1.0316 5.0844e+05 2023-04-07 23:49:04,473 INFO [main.py:643]
{rank 0/100} MD step = 316800 step time: 00:00:00.017982 Performance: 127.798 ns/day 0.188 hours/ns 7.396 steps/s 2023-04-07 23:49:17,582 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 316800 63360 50.297 -36210 5512.7 -41722 -41722 4.3832 2.6465 1.0314 5.0856e+05 2023-04-07 23:49:19,555 INFO [main.py:643]
{rank 0/100} MD step = 316900 step time: 00:00:00.017952 Performance: 127.793 ns/day 0.188 hours/ns 7.395 steps/s 2023-04-07 23:49:33,001 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 316900 63380 49.43 -36225 5417.6 -41643 -41643 4.3856 2.6472 1.0325 5.0874e+05 2023-04-07 23:49:34,822 INFO [main.py:643]
{rank 0/100} MD step = 317000 step time: 00:00:00.017883 Performance: 127.788 ns/day 0.188 hours/ns 7.395 steps/s 2023-04-07 23:49:47,593 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 317000 63400 50.006 -36177 5480.8 -41658 -41658 4.3907 2.6474 1.0337 5.0888e+05 2023-04-07 23:49:49,521 INFO [main.py:643]
{rank 0/100} MD step = 317100 step time: 00:00:00.018022 Performance: 127.784 ns/day 0.188 hours/ns 7.395 steps/s 2023-04-07 23:49:50,969 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 317100 63420 50.185 -36172 5500.3 -41673 -41673 4.3931 2.6481 1.0342 5.0904e+05 2023-04-07 23:49:52,803 INFO [main.py:643]
{rank 0/100} MD step = 317200 step time: 00:00:00.018001 Performance: 127.815 ns/day 0.188 hours/ns 7.397 steps/s 2023-04-07 23:50:09,016 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 317200 63440 49.483 -36204 5423.4 -41627 -41627 4.3966 2.6491 1.0354 5.0921e+05 2023-04-07 23:50:10,914 INFO [main.py:643]
{rank 0/100} MD step = 317300 step time: 00:00:00.017903 Performance: 127.801 ns/day 0.188 hours/ns 7.396 steps/s 2023-04-07 23:50:24,068 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 317300 63460 50.087 -36200 5489.6 -41690 -41690 4.4001 2.65 1.0362 5.0939e+05 2023-04-07 23:50:29,943 INFO [main.py:643]
{rank 0/100} MD step = 317400 step time: 00:00:00.018152 Performance: 127.785 ns/day 0.188 hours/ns 7.395 steps/s 2023-04-07 23:50:35,700 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 317400 63480 50.116 -36187 5492.8 -41680 -41680 4.4025 2.6521 1.0356 5.0955e+05 2023-04-07 23:50:37,633 INFO [main.py:643]
{rank 0/100} MD step = 317500 step time: 00:00:00.017897 Performance: 127.802 ns/day 0.188 hours/ns 7.396 steps/s 2023-04-07 23:50:45,904 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 317500 63500 50.163 -36129 5498 -41627 -41627 4.4063 2.6529 1.0341 5.0971e+05 2023-04-07 23:50:47,807 INFO [main.py:643]
{rank 0/100} MD step = 317600 step time: 00:00:00.018134 Performance: 127.812 ns/day 0.188 hours/ns 7.397 steps/s 2023-04-07 23:51:13,722 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 317600 63520 49.649 -36203 5441.6 -41644 -41644 4.4113 2.6553 1.0345 5.0986e+05 2023-04-07 23:51:15,675 INFO [main.py:643]
{rank 0/100} MD step = 317700 step time: 00:00:00.017951 Performance: 127.769 ns/day 0.188 hours/ns 7.394 steps/s 2023-04-07 23:51:28,613 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 317700 63540 49.903 -36247 5469.4 -41716 -41716 4.4165 2.6558 1.0351 5.1e+05 2023-04-07 23:51:30,536 INFO [main.py:643]
{rank 0/100} MD step = 317800 step time: 00:00:00.017979 Performance: 127.765 ns/day 0.188 hours/ns 7.394 steps/s 2023-04-07 23:51:43,646 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 317800 63560 49.876 -36158 5466.5 -41625 -41625 4.4187 2.6567 1.0348 5.1019e+05 2023-04-07 23:51:45,748 INFO [main.py:643]
{rank 0/100} MD step = 317900 step time: 00:00:00.018053 Performance: 127.760 ns/day 0.188 hours/ns 7.394 steps/s 2023-04-07 23:51:54,628 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 317900 63580 50.529 -36168 5538 -41706 -41706 4.4243 2.6591 1.0347 5.1035e+05 2023-04-07 23:51:56,582 INFO [main.py:643]
{rank 0/100} MD step = 318000 step time: 00:00:00.018259 Performance: 127.768 ns/day 0.188 hours/ns 7.394 steps/s 2023-04-07 23:51:57,792 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 318000 63600 50.129 -36200 5494.2 -41694 -41694 4.4303 2.6611 1.0342 5.105e+05 2023-04-07 23:51:59,691 INFO [main.py:643]
{rank 0/100} MD step = 318100 step time: 00:00:00.017970 Performance: 127.799 ns/day 0.188 hours/ns 7.396 steps/s 2023-04-07 23:52:07,616 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 318100 63620 50.544 -36133 5539.6 -41673 -41673 4.4317 2.6614 1.0354 5.1067e+05 2023-04-07 23:52:09,494 INFO [main.py:643]
{rank 0/100} MD step = 318200 step time: 00:00:00.017961 Performance: 127.810 ns/day 0.188 hours/ns 7.396 steps/s 2023-04-07 23:52:13,917 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 318200 63640 49.463 -36194 5421.2 -41615 -41615 4.4368 2.6615 1.0362 5.1084e+05 2023-04-07 23:52:15,754 INFO [main.py:643]
{rank 0/100} MD step = 318300 step time: 00:00:00.018005 Performance: 127.832 ns/day 0.188 hours/ns 7.398 steps/s 2023-04-07 23:52:20,009 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 318300 63660 50.176 -36217 5499.3 -41716 -41716 4.4427 2.6614 1.0362 5.1098e+05 2023-04-07 23:52:21,972 INFO [main.py:643]
{rank 0/100} MD step = 318400 step time: 00:00:00.018036 Performance: 127.853 ns/day 0.188 hours/ns 7.399 steps/s 2023-04-07 23:52:35,221 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 318400 63680 49.71 -36179 5448.3 -41627 -41627 4.4476 2.6626 1.0363 5.1116e+05 2023-04-07 23:52:37,119 INFO [main.py:643]
{rank 0/100} MD step = 318500 step time: 00:00:00.017978 Performance: 127.849 ns/day 0.188 hours/ns 7.399 steps/s 2023-04-07 23:52:45,928 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 318500 63700 49.682 -36247 5445.2 -41692 -41692 4.451 2.6639 1.0367 5.1131e+05 2023-04-07 23:52:47,796 INFO [main.py:643]
{rank 0/100} MD step = 318600 step time: 00:00:00.017999 Performance: 127.857 ns/day 0.188 hours/ns 7.399 steps/s 2023-04-07 23:52:59,336 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 318600 63720 49.98 -36192 5477.8 -41670 -41670 4.4531 2.6645 1.0369 5.1147e+05 2023-04-07 23:53:01,173 INFO [main.py:643]
{rank 0/100} MD step = 318700 step time: 00:00:00.018108 Performance: 127.857 ns/day 0.188 hours/ns 7.399 steps/s 2023-04-07 23:53:02,666 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 318700 63740 49.919 -36108 5471.1 -41579 -41579 4.4568 2.6653 1.0366 5.1166e+05 2023-04-07 23:53:04,505 INFO [main.py:643]
{rank 0/100} MD step = 318800 step time: 00:00:00.018016 Performance: 127.888 ns/day 0.188 hours/ns 7.401 steps/s 2023-04-07 23:53:05,652 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 318800 63760 50.157 -36124 5497.3 -41621 -41621 4.4579 2.6674 1.037 5.1181e+05 2023-04-07 23:53:07,560 INFO [main.py:643]
{rank 0/100} MD step = 318900 step time: 00:00:00.017856 Performance: 127.919 ns/day 0.188 hours/ns 7.403 steps/s 2023-04-07 23:53:16,241 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 318900 63780 49.576 -36209 5433.6 -41643 -41643 4.4628 2.6697 1.039 5.1194e+05 2023-04-07 23:53:18,125 INFO [main.py:643]
{rank 0/100} MD step = 319000 step time: 00:00:00.017997 Performance: 127.927 ns/day 0.188 hours/ns 7.403 steps/s 2023-04-07 23:53:22,571 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 319000 63800 50.345 -36161 5517.8 -41679 -41679 4.4671 2.6704 1.0389 5.1213e+05 2023-04-07 23:53:24,507 INFO [main.py:643]
{rank 0/100} MD step = 319100 step time: 00:00:00.017883 Performance: 127.949 ns/day 0.188 hours/ns 7.404 steps/s 2023-04-07 23:53:31,432 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 319100 63820 50.282 -36208 5510.9 -41719 -41719 4.4697 2.6723 1.0404 5.1227e+05 2023-04-07 23:53:33,259 INFO [main.py:643]
{rank 0/100} MD step = 319200 step time: 00:00:00.017801 Performance: 127.963 ns/day 0.188 hours/ns 7.405 steps/s 2023-04-07 23:53:41,619 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 319200 63840 50.113 -36229 5492.4 -41722 -41722 4.4742 2.6729 1.0404 5.1245e+05 2023-04-07 23:53:43,505 INFO [main.py:643]
{rank 0/100} MD step = 319300 step time: 00:00:00.017869 Performance: 127.972 ns/day 0.188 hours/ns 7.406 steps/s 2023-04-07 23:54:00,783 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 319300 63860 49.352 -36323 5409.1 -41732 -41732 4.4764 2.6743 1.0407 5.126e+05 2023-04-07 23:54:02,625 INFO [main.py:643]
{rank 0/100} MD step = 319400 step time: 00:00:00.018058 Performance: 127.956 ns/day 0.188 hours/ns 7.405 steps/s 2023-04-07 23:54:08,252 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 319400 63880 49.576 -36355 5433.6 -41789 -41789 4.4799 2.6739 1.0418 5.1276e+05 2023-04-07 23:54:10,199 INFO [main.py:643]
{rank 0/100} MD step = 319500 step time: 00:00:00.017956 Performance: 127.973 ns/day 0.188 hours/ns 7.406 steps/s 2023-04-07 23:54:14,329 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 319500 63900 49.925 -36233 5471.9 -41705 -41705 4.4829 2.6735 1.0427 5.1293e+05 2023-04-07 23:54:16,201 INFO [main.py:643]
{rank 0/100} MD step = 319600 step time: 00:00:00.017926 Performance: 127.996 ns/day 0.188 hours/ns 7.407 steps/s 2023-04-07 23:54:28,836 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 319600 63920 50.438 -36168 5528 -41696 -41696 4.4841 2.6753 1.0434 5.1312e+05 2023-04-07 23:54:30,731 INFO [main.py:643]
{rank 0/100} MD step = 319700 step time: 00:00:00.017967 Performance: 127.993 ns/day 0.188 hours/ns 7.407 steps/s 2023-04-07 23:54:36,020 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 319700 63940 49.787 -36242 5456.7 -41699 -41699 4.4879 2.6751 1.0438 5.1325e+05 2023-04-07 23:54:37,901 INFO [main.py:643]
{rank 0/100} MD step = 319800 step time: 00:00:00.021048 Performance: 128.011 ns/day 0.187 hours/ns 7.408 steps/s 2023-04-07 23:54:55,409 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 319800 63960 49.701 -36189 5447.3 -41637 -41637 4.4894 2.6766 1.0435 5.1339e+05 2023-04-07 23:54:57,247 INFO [main.py:643]
{rank 0/100} MD step = 319900 step time: 00:00:00.017935 Performance: 127.994 ns/day 0.188 hours/ns 7.407 steps/s 2023-04-07 23:54:58,520 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 319900 63980 49.977 -36293 5477.5 -41770 -41770 4.4913 2.6757 1.0426 5.1355e+05 2023-04-07 23:55:00,440 INFO [main.py:643]
{rank 0/100} MD step = 320000 step time: 00:00:00.018050 Performance: 128.025 ns/day 0.187 hours/ns 7.409 steps/s 2023-04-07 23:55:04,122 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 320000 64000 49.709 -36125 5448.1 -41573 -41573 4.4934 2.6753 1.0432 5.1375e+05 2023-04-07 23:55:06,003 INFO [main.py:643]
{rank 0/100} MD step = 320100 step time: 00:00:00.018118 Performance: 128.048 ns/day 0.187 hours/ns 7.410 steps/s 2023-04-07 23:55:14,246 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 320100 64020 50.016 -36260 5481.8 -41742 -41742 4.4961 2.6766 1.0421 5.1389e+05 2023-04-07 23:55:16,344 INFO [main.py:643]
{rank 0/100} MD step = 320200 step time: 00:00:00.018096 Performance: 128.057 ns/day 0.187 hours/ns 7.411 steps/s 2023-04-07 23:55:21,266 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 320200 64040 50.042 -36186 5484.7 -41671 -41671 4.4968 2.6767 1.0434 5.1406e+05 2023-04-07 23:55:23,185 INFO [main.py:643]
{rank 0/100} MD step = 320300 step time: 00:00:00.018030 Performance: 128.077 ns/day 0.187 hours/ns 7.412 steps/s 2023-04-07 23:55:31,479 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 320300 64060 50.053 -36140 5485.9 -41626 -41626 4.5024 2.6778 1.0433 5.1422e+05 2023-04-07 23:55:33,431 INFO [main.py:643]
{rank 0/100} MD step = 320400 step time: 00:00:00.018069 Performance: 128.087 ns/day 0.187 hours/ns 7.412 steps/s 2023-04-07 23:55:34,195 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 320400 64080 50.537 -36181 5538.9 -41720 -41720 4.5061 2.6782 1.0434 5.1436e+05 2023-04-07 23:55:39,589 INFO [main.py:643]
{rank 0/100} MD step = 320500 step time: 00:00:00.018013 Performance: 128.108 ns/day 0.187 hours/ns 7.414 steps/s 2023-04-07 23:55:48,423 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 320500 64100 49.849 -36252 5463.5 -41715 -41715 4.5111 2.6776 1.0422 5.1453e+05 2023-04-07 23:55:50,217 INFO [main.py:643]
{rank 0/100} MD step = 320600 step time: 00:00:00.017887 Performance: 128.117 ns/day 0.187 hours/ns 7.414 steps/s 2023-04-07 23:55:51,450 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 320600 64120 49.603 -36178 5436.6 -41614 -41614 4.5138 2.6776 1.0428 5.1469e+05 2023-04-07 23:55:56,474 INFO [main.py:643]
{rank 0/100} MD step = 320700 step time: 00:00:00.017944 Performance: 128.138 ns/day 0.187 hours/ns 7.415 steps/s 2023-04-07 23:56:06,080 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 320700 64140 49.939 -36172 5473.4 -41645 -41645 4.5185 2.678 1.0415 5.1487e+05 2023-04-07 23:56:08,068 INFO [main.py:643]
{rank 0/100} MD step = 320800 step time: 00:00:00.017962 Performance: 128.144 ns/day 0.187 hours/ns 7.416 steps/s 2023-04-07 23:56:16,120 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 320800 64160 50.529 -36122 5538.1 -41661 -41661 4.5219 2.6784 1.0419 5.1502e+05 2023-04-07 23:56:18,275 INFO [main.py:643]
{rank 0/100} MD step = 320900 step time: 00:00:00.018027 Performance: 128.154 ns/day 0.187 hours/ns 7.416 steps/s 2023-04-07 23:56:27,053 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 320900 64180 49.766 -36229 5454.4 -41684 -41684 4.5252 2.6799 1.0412 5.1515e+05 2023-04-07 23:56:28,950 INFO [main.py:643]
{rank 0/100} MD step = 321000 step time: 00:00:00.018050 Performance: 128.162 ns/day 0.187 hours/ns 7.417 steps/s 2023-04-07 23:56:37,965 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 321000 64200 49.505 -36250 5425.8 -41675 -41675 4.5288 2.6801 1.0424 5.1533e+05 2023-04-07 23:56:39,795 INFO [main.py:643]
{rank 0/100} MD step = 321100 step time: 00:00:00.019953 Performance: 128.170 ns/day 0.187 hours/ns 7.417 steps/s 2023-04-07 23:56:40,972 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 321100 64220 51.268 -36061 5619.1 -41680 -41680 4.5317 2.681 1.0438 5.1549e+05 2023-04-07 23:56:42,810 INFO [main.py:643]
{rank 0/100} MD step = 321200 step time: 00:00:00.017966 Performance: 128.201 ns/day 0.187 hours/ns 7.419 steps/s 2023-04-07 23:56:51,242 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 321200 64240 50.769 -36073 5564.3 -41637 -41637 4.536 2.6852 1.0443 5.1563e+05 2023-04-07 23:56:53,090 INFO [main.py:643]
{rank 0/100} MD step = 321300 step time: 00:00:00.017973 Performance: 128.210 ns/day 0.187 hours/ns 7.420 steps/s 2023-04-07 23:56:54,246 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 321300 64260 49.913 -36323 5470.5 -41793 -41793 4.5384 2.6851 1.0426 5.1578e+05 2023-04-07 23:56:56,138 INFO [main.py:643]
{rank 0/100} MD step = 321400 step time: 00:00:00.017965 Performance: 128.241 ns/day 0.187 hours/ns 7.421 steps/s 2023-04-07 23:57:12,172 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 321400 64280 50.859 -36057 5574.3 -41632 -41632 4.5425 2.6847 1.0412 5.1596e+05 2023-04-07 23:57:13,994 INFO [main.py:643]
{rank 0/100} MD step = 321500 step time: 00:00:00.017913 Performance: 128.228 ns/day 0.187 hours/ns 7.421 steps/s 2023-04-07 23:57:32,914 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 321500 64300 49.521 -36326 5427.6 -41754 -41754 4.549 2.685 1.0426 5.1606e+05 2023-04-07 23:57:34,841 INFO [main.py:643]
{rank 0/100} MD step = 321600 step time: 00:00:00.018072 Performance: 128.206 ns/day 0.187 hours/ns 7.419 steps/s 2023-04-07 23:57:59,383 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 321600 64320 50.086 -36188 5489.5 -41677 -41677 4.5546 2.6847 1.041 5.1625e+05 2023-04-07 23:58:01,273 INFO [main.py:643]
{rank 0/100} MD step = 321700 step time: 00:00:00.017902 Performance: 128.168 ns/day 0.187 hours/ns 7.417 steps/s 2023-04-07 23:58:14,369 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 321700 64340 50.086 -36160 5489.5 -41650 -41650 4.5583 2.687 1.0411 5.1641e+05 2023-04-07 23:58:16,306 INFO [main.py:643]
{rank 0/100} MD step = 321800 step time: 00:00:00.017867 Performance: 128.163 ns/day 0.187 hours/ns 7.417 steps/s 2023-04-07 23:58:25,922 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 321800 64360 49.851 -36216 5463.7 -41680 -41680 4.5627 2.6864 1.0426 5.1655e+05 2023-04-07 23:58:27,730 INFO [main.py:643]
{rank 0/100} MD step = 321900 step time: 00:00:00.017935 Performance: 128.170 ns/day 0.187 hours/ns 7.417 steps/s 2023-04-07 23:58:29,122 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 321900 64380 50.301 -36145 5513 -41658 -41658 4.5688 2.6871 1.0433 5.1676e+05 2023-04-07 23:58:30,962 INFO [main.py:643]
{rank 0/100} MD step = 322000 step time: 00:00:00.018103 Performance: 128.200 ns/day 0.187 hours/ns 7.419 steps/s 2023-04-07 23:58:36,034 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 322000 64400 49.955 -36239 5475.1 -41714 -41714 4.5725 2.6872 1.0427 5.1692e+05 2023-04-07 23:58:38,074 INFO [main.py:643]
{rank 0/100} MD step = 322100 step time: 00:00:00.018015 Performance: 128.219 ns/day 0.187 hours/ns 7.420 steps/s 2023-04-07 23:58:46,897 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 322100 64420 50.11 -36266 5492.1 -41758 -41758 4.5777 2.6878 1.0446 5.171e+05 2023-04-07 23:58:48,742 INFO [main.py:643]
{rank 0/100} MD step = 322200 step time: 00:00:00.017895 Performance: 128.227 ns/day 0.187 hours/ns 7.421 steps/s 2023-04-07 23:58:53,383 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 322200 64440 49.901 -36273 5469.3 -41743 -41743 4.5821 2.6884 1.045 5.1723e+05 2023-04-07 23:58:55,257 INFO [main.py:643]
{rank 0/100} MD step = 322300 step time: 00:00:00.017970 Performance: 128.247 ns/day 0.187 hours/ns 7.422 steps/s 2023-04-07 23:59:03,880 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 322300 64460 50.218 -36126 5503.9 -41630 -41630 4.5842 2.688 1.0431 5.1741e+05 2023-04-07 23:59:05,853 INFO [main.py:643]
{rank 0/100} MD step = 322400 step time: 00:00:00.018006 Performance: 128.256 ns/day 0.187 hours/ns 7.422 steps/s 2023-04-07 23:59:10,956 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 322400 64480 50.362 -36059 5519.7 -41578 -41578 4.5893 2.6887 1.0427 5.1759e+05 2023-04-07 23:59:16,085 INFO [main.py:643]
{rank 0/100} MD step = 322500 step time: 00:00:00.017958 Performance: 128.266 ns/day 0.187 hours/ns 7.423 steps/s 2023-04-07 23:59:25,529 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 322500 64500 49.988 -36162 5478.8 -41641 -41641 4.5924 2.6888 1.0427 5.1776e+05 2023-04-07 23:59:27,328 INFO [main.py:643]
{rank 0/100} MD step = 322600 step time: 00:00:00.018047 Performance: 128.272 ns/day 0.187 hours/ns 7.423 steps/s 2023-04-07 23:59:31,976 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 322600 64520 50.534 -36159 5538.5 -41698 -41698 4.5967 2.6894 1.0447 5.179e+05 2023-04-07 23:59:33,800 INFO [main.py:643]
{rank 0/100} MD step = 322700 step time: 00:00:00.018089 Performance: 128.293 ns/day 0.187 hours/ns 7.424 steps/s 2023-04-07 23:59:38,932 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 322700 64540 49.806 -36212 5458.7 -41671 -41671 4.603 2.6905 1.0458 5.1805e+05 2023-04-07 23:59:40,766 INFO [main.py:643]
{rank 0/100} MD step = 322800 step time: 00:00:00.017981 Performance: 128.312 ns/day 0.187 hours/ns 7.425 steps/s 2023-04-07 23:59:49,211 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 322800 64560 50.466 -36245 5531.2 -41776 -41776 4.6041 2.6924 1.0476 5.1822e+05 2023-04-07 23:59:51,128 INFO [main.py:643]
{rank 0/100} MD step = 322900 step time: 00:00:00.017870 Performance: 128.321 ns/day 0.187 hours/ns 7.426 steps/s 2023-04-07 23:59:52,451 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 322900 64580 50.038 -36290 5484.2 -41774 -41774 4.608 2.6934 1.0492 5.1839e+05 2023-04-07 23:59:54,350 INFO [main.py:643]
{rank 0/100} MD step = 323000 step time: 00:00:00.017910 Performance: 128.351 ns/day 0.187 hours/ns 7.428 steps/s 2023-04-07 23:59:55,751 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 323000 64600 50.571 -36102 5542.6 -41644 -41644 4.6111 2.6933 1.0479 5.1858e+05 2023-04-07 23:59:57,654 INFO [main.py:643]
{rank 0/100} MD step = 323100 step time: 00:00:00.017961 Performance: 128.381 ns/day 0.187 hours/ns 7.429 steps/s 2023-04-08 00:00:01,945 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 323100 64620 49.897 -36269 5468.8 -41738 -41738 4.6134 2.6957 1.0461 5.1871e+05 2023-04-08 00:00:03,766 INFO [main.py:643]
{rank 0/100} MD step = 323200 step time: 00:00:00.018139 Performance: 128.403 ns/day 0.187 hours/ns 7.431 steps/s 2023-04-08 00:00:25,658 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 323200 64640 49.782 -36158 5456.2 -41614 -41614 4.6171 2.6971 1.0468 5.1889e+05 2023-04-08 00:00:27,726 INFO [main.py:643]
{rank 0/100} MD step = 323300 step time: 00:00:00.017931 Performance: 128.372 ns/day 0.187 hours/ns 7.429 steps/s 2023-04-08 00:00:41,125 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 323300 64660 49.93 -36263 5472.4 -41735 -41735 4.6206 2.6982 1.0482 5.1904e+05 2023-04-08 00:00:43,014 INFO [main.py:643]
{rank 0/100} MD step = 323400 step time: 00:00:00.018010 Performance: 128.367 ns/day 0.187 hours/ns 7.429 steps/s 2023-04-08 00:00:51,678 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 323400 64680 50.204 -36286 5502.4 -41789 -41789 4.623 2.6997 1.0513 5.1921e+05 2023-04-08 00:00:53,509 INFO [main.py:643]
{rank 0/100} MD step = 323500 step time: 00:00:00.018144 Performance: 128.375 ns/day 0.187 hours/ns 7.429 steps/s 2023-04-08 00:00:58,744 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 323500 64700 49.637 -36370 5440.2 -41810 -41810 4.6278 2.702 1.051 5.1937e+05 2023-04-08 00:01:00,560 INFO [main.py:643]
{rank 0/100} MD step = 323600 step time: 00:00:00.019207 Performance: 128.394 ns/day 0.187 hours/ns 7.430 steps/s 2023-04-08 00:01:08,342 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 323600 64720 49.96 -36207 5475.7 -41683 -41683 4.632 2.7027 1.0517 5.1951e+05 2023-04-08 00:01:10,163 INFO [main.py:643]
{rank 0/100} MD step = 323700 step time: 00:00:00.018075 Performance: 128.406 ns/day 0.187 hours/ns 7.431 steps/s 2023-04-08 00:01:27,928 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 323700 64740 50.345 -36287 5517.9 -41804 -41804 4.637 2.7046 1.0521 5.1967e+05 2023-04-08 00:01:29,936 INFO [main.py:643]
{rank 0/100} MD step = 323800 step time: 00:00:00.018075 Performance: 128.387 ns/day 0.187 hours/ns 7.430 steps/s 2023-04-08 00:01:31,179 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 323800 64760 49.573 -36319 5433.2 -41752 -41752 4.6412 2.7042 1.0524 5.1983e+05 2023-04-08 00:01:33,448 INFO [main.py:643]
{rank 0/100} MD step = 323900 step time: 00:00:00.018096 Performance: 128.416 ns/day 0.187 hours/ns 7.432 steps/s 2023-04-08 00:01:40,981 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 323900 64780 49.853 -36280 5463.9 -41744 -41744 4.6447 2.7053 1.0523 5.2002e+05 2023-04-08 00:01:42,892 INFO [main.py:643]
{rank 0/100} MD step = 324000 step time: 00:00:00.017935 Performance: 128.428 ns/day 0.187 hours/ns 7.432 steps/s 2023-04-08 00:02:00,209 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 324000 64800 50.377 -36115 5521.4 -41636 -41636 4.6457 2.7068 1.0532 5.2019e+05 2023-04-08 00:02:02,118 INFO [main.py:643]
{rank 0/100} MD step = 324100 step time: 00:00:00.018061 Performance: 128.411 ns/day 0.187 hours/ns 7.431 steps/s 2023-04-08 00:02:19,038 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 324100 64820 49.512 -36319 5426.6 -41746 -41746 4.6492 2.7069 1.0524 5.2036e+05 2023-04-08 00:02:21,382 INFO [main.py:643]
{rank 0/100} MD step = 324200 step time: 00:00:00.017989 Performance: 128.394 ns/day 0.187 hours/ns 7.430 steps/s 2023-04-08 00:02:34,246 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 324200 64840 50.318 -36115 5514.9 -41630 -41630 4.6552 2.7092 1.0513 5.2053e+05 2023-04-08 00:02:36,117 INFO [main.py:643]
{rank 0/100} MD step = 324300 step time: 00:00:00.017951 Performance: 128.390 ns/day 0.187 hours/ns 7.430 steps/s 2023-04-08 00:02:37,612 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 324300 64860 50.212 -36170 5503.3 -41673 -41673 4.6571 2.7112 1.0523 5.2067e+05 2023-04-08 00:02:39,493 INFO [main.py:643]
{rank 0/100} MD step = 324400 step time: 00:00:00.018007 Performance: 128.420 ns/day 0.187 hours/ns 7.432 steps/s 2023-04-08 00:02:40,794 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 324400 64880 50.058 -36139 5486.4 -41626 -41626 4.6626 2.713 1.0526 5.2082e+05 2023-04-08 00:02:42,682 INFO [main.py:643]
{rank 0/100} MD step = 324500 step time: 00:00:00.017885 Performance: 128.450 ns/day 0.187 hours/ns 7.433 steps/s 2023-04-08 00:02:55,529 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 324500 64900 49.678 -36203 5444.8 -41648 -41648 4.6639 2.7149 1.0531 5.2098e+05 2023-04-08 00:02:57,571 INFO [main.py:643]
{rank 0/100} MD step = 324600 step time: 00:00:00.017997 Performance: 128.446 ns/day 0.187 hours/ns 7.433 steps/s 2023-04-08 00:03:06,848 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 324600 64920 50.542 -36234 5539.4 -41773 -41773 4.6663 2.7167 1.0519 5.2113e+05 2023-04-08 00:03:08,782 INFO [main.py:643]
{rank 0/100} MD step = 324700 step time: 00:00:00.017992 Performance: 128.453 ns/day 0.187 hours/ns 7.434 steps/s 2023-04-08 00:03:13,465 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 324700 64940 50.503 -36138 5535.2 -41673 -41673 4.6682 2.7182 1.0531 5.213e+05 2023-04-08 00:03:15,397 INFO [main.py:643]
{rank 0/100} MD step = 324800 step time: 00:00:00.017976 Performance: 128.473 ns/day 0.187 hours/ns 7.435 steps/s 2023-04-08 00:03:16,710 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 324800 64960 49.372 -36236 5411.3 -41647 -41647 4.6721 2.7191 1.0538 5.2149e+05 2023-04-08 00:03:18,613 INFO [main.py:643]
{rank 0/100} MD step = 324900 step time: 00:00:00.017824 Performance: 128.503 ns/day 0.187 hours/ns 7.437 steps/s 2023-04-08 00:03:22,050 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 324900 64980 50.207 -36167 5502.7 -41670 -41670 4.6758 2.7198 1.0543 5.2167e+05 2023-04-08 00:03:23,884 INFO [main.py:643]
{rank 0/100} MD step = 325000 step time: 00:00:00.017911 Performance: 128.527 ns/day 0.187 hours/ns 7.438 steps/s 2023-04-08 00:03:28,232 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 325000 65000 49.813 -36185 5459.6 -41645 -41645 4.6786 2.7206 1.0522 5.2183e+05 2023-04-08 00:03:30,066 INFO [main.py:643]
{rank 0/100} MD step = 325100 step time: 00:00:00.025018 Performance: 128.548 ns/day 0.187 hours/ns 7.439 steps/s 2023-04-08 00:03:43,505 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 325100 65020 50.406 -36150 5524.5 -41675 -41675 4.6849 2.7206 1.0527 5.22e+05 2023-04-08 00:03:45,364 INFO [main.py:643]
{rank 0/100} MD step = 325200 step time: 00:00:00.018159 Performance: 128.543 ns/day 0.187 hours/ns 7.439 steps/s 2023-04-08 00:03:53,664 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 325200 65040 49.946 -36203 5474.1 -41677 -41677 4.6888 2.7213 1.0513 5.2216e+05 2023-04-08 00:03:59,631 INFO [main.py:643]
{rank 0/100} MD step = 325300 step time: 00:00:00.017955 Performance: 128.540 ns/day 0.187 hours/ns 7.439 steps/s 2023-04-08 00:04:03,480 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 325300 65060 50.345 -36167 5517.9 -41684 -41684 4.6937 2.7214 1.0531 5.2232e+05 2023-04-08 00:04:05,342 INFO [main.py:643]
{rank 0/100} MD step = 325400 step time: 00:00:00.017894 Performance: 128.563 ns/day 0.187 hours/ns 7.440 steps/s 2023-04-08 00:04:38,756 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 325400 65080 50.069 -36195 5487.7 -41683 -41683 4.6943 2.7205 1.0536 5.2248e+05 2023-04-08 00:04:40,694 INFO [main.py:643]
{rank 0/100} MD step = 325500 step time: 00:00:00.017874 Performance: 128.499 ns/day 0.187 hours/ns 7.436 steps/s 2023-04-08 00:04:46,145 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 325500 65100 49.237 -36292 5396.5 -41688 -41688 4.7 2.7216 1.0523 5.2262e+05 2023-04-08 00:04:48,053 INFO [main.py:643]
{rank 0/100} MD step = 325600 step time: 00:00:00.017979 Performance: 128.516 ns/day 0.187 hours/ns 7.437 steps/s 2023-04-08 00:04:49,157 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 325600 65120 49.931 -36280 5472.5 -41753 -41753 4.7026 2.7225 1.0515 5.2278e+05 2023-04-08 00:04:51,091 INFO [main.py:643]
{rank 0/100} MD step = 325700 step time: 00:00:00.017913 Performance: 128.547 ns/day 0.187 hours/ns 7.439 steps/s 2023-04-08 00:05:02,769 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 325700 65140 50.049 -36172 5485.4 -41658 -41658 4.7056 2.7231 1.0525 5.2295e+05 2023-04-08 00:05:04,632 INFO [main.py:643]
{rank 0/100} MD step = 325800 step time: 00:00:00.017936 Performance: 128.547 ns/day 0.187 hours/ns 7.439 steps/s 2023-04-08 00:05:18,046 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 325800 65160 49.522 -36328 5427.7 -41755 -41755 4.7099 2.7236 1.053 5.2309e+05 2023-04-08 00:05:19,930 INFO [main.py:643]
{rank 0/100} MD step = 325900 step time: 00:00:00.018041 Performance: 128.541 ns/day 0.187 hours/ns 7.439 steps/s 2023-04-08 00:05:21,312 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 325900 65180 50.759 -36110 5563.3 -41673 -41673 4.7124 2.7252 1.0529 5.2328e+05 2023-04-08 00:05:23,147 INFO [main.py:643]
{rank 0/100} MD step = 326000 step time: 00:00:00.018061 Performance: 128.571 ns/day 0.187 hours/ns 7.440 steps/s 2023-04-08 00:05:28,333 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 326000 65200 49.828 -36165 5461.2 -41626 -41626 4.7141 2.7254 1.0548 5.235e+05 2023-04-08 00:05:30,163 INFO [main.py:643]
{rank 0/100} MD step = 326100 step time: 00:00:00.018010 Performance: 128.590 ns/day 0.187 hours/ns 7.442 steps/s 2023-04-08 00:05:34,824 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 326100 65220 49.964 -36325 5476.1 -41801 -41801 4.72 2.7257 1.0559 5.2361e+05 2023-04-08 00:05:36,648 INFO [main.py:643]
{rank 0/100} MD step = 326200 step time: 00:00:00.018034 Performance: 128.611 ns/day 0.187 hours/ns 7.443 steps/s 2023-04-08 00:05:37,776 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 326200 65240 50.481 -36144 5532.7 -41677 -41677 4.7285 2.7248 1.0556 5.2379e+05 2023-04-08 00:05:39,706 INFO [main.py:643]
{rank 0/100} MD step = 326300 step time: 00:00:00.018081 Performance: 128.641 ns/day 0.187 hours/ns 7.445 steps/s 2023-04-08 00:06:04,696 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 326300 65260 49.54 -36204 5429.6 -41634 -41634 4.7303 2.7258 1.0574 5.2395e+05 2023-04-08 00:06:06,591 INFO [main.py:643]
{rank 0/100} MD step = 326400 step time: 00:00:00.017956 Performance: 128.602 ns/day 0.187 hours/ns 7.442 steps/s 2023-04-08 00:06:07,917 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 326400 65280 49.362 -36296 5410.1 -41706 -41706 4.735 2.7254 1.0563 5.2409e+05 2023-04-08 00:06:09,807 INFO [main.py:643]
{rank 0/100} MD step = 326500 step time: 00:00:00.018051 Performance: 128.632 ns/day 0.187 hours/ns 7.444 steps/s 2023-04-08 00:06:22,040 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 326500 65300 49.446 -36222 5419.3 -41641 -41641 4.7408 2.7257 1.0555 5.2425e+05 2023-04-08 00:06:24,130 INFO [main.py:643]
{rank 0/100} MD step = 326600 step time: 00:00:00.017987 Performance: 128.629 ns/day 0.187 hours/ns 7.444 steps/s 2023-04-08 00:06:28,506 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 326600 65320 49.501 -36258 5425.3 -41683 -41683 4.7452 2.7275 1.0552 5.2442e+05 2023-04-08 00:06:30,409 INFO [main.py:643]
{rank 0/100} MD step = 326700 step time: 00:00:00.018051 Performance: 128.650 ns/day 0.187 hours/ns 7.445 steps/s 2023-04-08 00:06:43,587 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 326700 65340 49.656 -36297 5442.3 -41739 -41739 4.7509 2.7284 1.0549 5.2459e+05 2023-04-08 00:06:45,411 INFO [main.py:643]
{rank 0/100} MD step = 326800 step time: 00:00:00.017990 Performance: 128.645 ns/day 0.187 hours/ns 7.445 steps/s 2023-04-08 00:07:02,632 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 326800 65360 50.496 -36203 5534.4 -41738 -41738 4.7557 2.7287 1.0543 5.2475e+05 2023-04-08 00:07:04,568 INFO [main.py:643]
{rank 0/100} MD step = 326900 step time: 00:00:00.017873 Performance: 128.629 ns/day 0.187 hours/ns 7.444 steps/s 2023-04-08 00:07:13,624 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 326900 65380 49.854 -36142 5464.1 -41606 -41606 4.7578 2.7296 1.0547 5.2495e+05 2023-04-08 00:07:15,466 INFO [main.py:643]
{rank 0/100} MD step = 327000 step time: 00:00:00.018111 Performance: 128.636 ns/day 0.187 hours/ns 7.444 steps/s 2023-04-08 00:07:30,596 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 327000 65400 49.583 -36194 5434.3 -41629 -41629 4.7609 2.7299 1.0535 5.2512e+05 2023-04-08 00:07:32,597 INFO [main.py:643]
{rank 0/100} MD step = 327100 step time: 00:00:00.017911 Performance: 128.625 ns/day 0.187 hours/ns 7.444 steps/s 2023-04-08 00:07:37,205 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 327100 65420 49.879 -36248 5466.8 -41714 -41714 4.7636 2.7301 1.0539 5.2526e+05 2023-04-08 00:07:39,104 INFO [main.py:643]
{rank 0/100} MD step = 327200 step time: 00:00:00.018064 Performance: 128.645 ns/day 0.187 hours/ns 7.445 steps/s 2023-04-08 00:07:52,123 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 327200 65440 50.254 -36101 5507.9 -41609 -41609 4.7674 2.7299 1.0526 5.2542e+05 2023-04-08 00:07:53,968 INFO [main.py:643]
{rank 0/100} MD step = 327300 step time: 00:00:00.018014 Performance: 128.641 ns/day 0.187 hours/ns 7.445 steps/s 2023-04-08 00:08:03,295 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 327300 65460 49.525 -36281 5428 -41709 -41709 4.7735 2.7308 1.0521 5.2555e+05 2023-04-08 00:08:05,128 INFO [main.py:643]
{rank 0/100} MD step = 327400 step time: 00:00:00.018055 Performance: 128.648 ns/day 0.187 hours/ns 7.445 steps/s 2023-04-08 00:08:22,484 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 327400 65480 49.91 -36149 5470.3 -41619 -41619 4.7765 2.7316 1.0516 5.2573e+05 2023-04-08 00:08:24,348 INFO [main.py:643]
{rank 0/100} MD step = 327500 step time: 00:00:00.017915 Performance: 128.631 ns/day 0.187 hours/ns 7.444 steps/s 2023-04-08 00:08:25,515 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 327500 65500 49.541 -36320 5429.7 -41749 -41749 4.7783 2.731 1.0526 5.2587e+05 2023-04-08 00:08:27,348 INFO [main.py:643]
{rank 0/100} MD step = 327600 step time: 00:00:00.017925 Performance: 128.661 ns/day 0.187 hours/ns 7.446 steps/s 2023-04-08 00:08:48,668 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 327600 65520 50.617 -36169 5547.7 -41717 -41717 4.7804 2.731 1.0534 5.2603e+05 2023-04-08 00:08:50,555 INFO [main.py:643]
{rank 0/100} MD step = 327700 step time: 00:00:00.017946 Performance: 128.633 ns/day 0.187 hours/ns 7.444 steps/s 2023-04-08 00:08:54,313 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 327700 65540 50.024 -36218 5482.7 -41701 -41701 4.7853 2.7323 1.0529 5.262e+05 2023-04-08 00:08:56,236 INFO [main.py:643]
{rank 0/100} MD step = 327800 step time: 00:00:00.017929 Performance: 128.656 ns/day 0.187 hours/ns 7.445 steps/s 2023-04-08 00:09:00,829 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 327800 65560 50.087 -36109 5489.6 -41598 -41598 4.7881 2.7337 1.0537 5.2637e+05 2023-04-08 00:09:02,751 INFO [main.py:643]
{rank 0/100} MD step = 327900 step time: 00:00:00.017851 Performance: 128.676 ns/day 0.187 hours/ns 7.447 steps/s 2023-04-08 00:09:11,763 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 327900 65580 50.514 -36128 5536.3 -41664 -41664 4.7927 2.7336 1.0523 5.265e+05 2023-04-08 00:09:13,675 INFO [main.py:643]
{rank 0/100} MD step = 328000 step time: 00:00:00.017920 Performance: 128.683 ns/day 0.187 hours/ns 7.447 steps/s 2023-04-08 00:09:22,607 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 328000 65600 50.67 -36227 5553.5 -41780 -41780 4.7955 2.7333 1.0524 5.2666e+05 2023-04-08 00:09:24,423 INFO [main.py:643]
{rank 0/100} MD step = 328100 step time: 00:00:00.017959 Performance: 128.691 ns/day 0.186 hours/ns 7.447 steps/s 2023-04-08 00:09:37,444 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 328100 65620 49.532 -36373 5428.8 -41801 -41801 4.8004 2.7339 1.0516 5.2684e+05 2023-04-08 00:09:39,284 INFO [main.py:643]
{rank 0/100} MD step = 328200 step time: 00:00:00.017893 Performance: 128.687 ns/day 0.186 hours/ns 7.447 steps/s 2023-04-08 00:09:48,239 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 328200 65640 50.255 -36188 5508 -41696 -41696 4.8068 2.7352 1.05 5.2702e+05 2023-04-08 00:09:50,072 INFO [main.py:643]
{rank 0/100} MD step = 328300 step time: 00:00:00.018050 Performance: 128.694 ns/day 0.186 hours/ns 7.448 steps/s 2023-04-08 00:09:59,451 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 328300 65660 49.78 -36170 5456 -41626 -41626 4.8119 2.7347 1.0502 5.2719e+05 2023-04-08 00:10:01,384 INFO [main.py:643]
{rank 0/100} MD step = 328400 step time: 00:00:00.018185 Performance: 128.701 ns/day 0.186 hours/ns 7.448 steps/s 2023-04-08 00:10:20,317 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 328400 65680 49.551 -36350 5430.9 -41781 -41781 4.8156 2.7361 1.0508 5.2732e+05 2023-04-08 00:10:22,348 INFO [main.py:643]
{rank 0/100} MD step = 328500 step time: 00:00:00.018026 Performance: 128.679 ns/day 0.187 hours/ns 7.447 steps/s 2023-04-08 00:10:35,783 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 328500 65700 49.459 -36291 5420.8 -41712 -41712 4.8178 2.736 1.0517 5.2749e+05 2023-04-08 00:10:37,714 INFO [main.py:643]
{rank 0/100} MD step = 328600 step time: 00:00:00.018079 Performance: 128.673 ns/day 0.187 hours/ns 7.446 steps/s 2023-04-08 00:10:42,808 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 328600 65720 49.734 -36373 5450.9 -41824 -41824 4.8218 2.7355 1.0517 5.2764e+05 2023-04-08 00:10:44,672 INFO [main.py:643]
{rank 0/100} MD step = 328700 step time: 00:00:00.018045 Performance: 128.692 ns/day 0.186 hours/ns 7.447 steps/s 2023-04-08 00:10:52,867 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 328700 65740 49.269 -36316 5400 -41716 -41716 4.8277 2.7362 1.0515 5.2779e+05 2023-04-08 00:10:54,755 INFO [main.py:643]
{rank 0/100} MD step = 328800 step time: 00:00:00.017889 Performance: 128.702 ns/day 0.186 hours/ns 7.448 steps/s 2023-04-08 00:10:59,086 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 328800 65760 50.638 -36114 5549.9 -41664 -41664 4.8296 2.7374 1.0501 5.2796e+05 2023-04-08 00:11:04,803 INFO [main.py:643]
{rank 0/100} MD step = 328900 step time: 00:00:00.018927 Performance: 128.711 ns/day 0.186 hours/ns 7.449 steps/s 2023-04-08 00:11:09,994 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 328900 65780 50.575 -36097 5543.1 -41640 -41640 4.8348 2.7389 1.0484 5.2815e+05 2023-04-08 00:11:15,661 INFO [main.py:643]
{rank 0/100} MD step = 329000 step time: 00:00:00.018127 Performance: 128.719 ns/day 0.186 hours/ns 7.449 steps/s 2023-04-08 00:11:46,099 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 329000 65800 49.813 -36169 5459.6 -41629 -41629 4.8367 2.7399 1.0467 5.2831e+05 2023-04-08 00:11:48,050 INFO [main.py:643]
{rank 0/100} MD step = 329100 step time: 00:00:00.018017 Performance: 128.664 ns/day 0.187 hours/ns 7.446 steps/s 2023-04-08 00:11:48,878 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 329100 65820 49.437 -36299 5418.4 -41718 -41718 4.8397 2.7422 1.0468 5.2847e+05 2023-04-08 00:11:51,137 INFO [main.py:643]
{rank 0/100} MD step = 329200 step time: 00:00:00.018053 Performance: 128.694 ns/day 0.186 hours/ns 7.448 steps/s 2023-04-08 00:12:08,101 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 329200 65840 50.813 -36269 5569.2 -41838 -41838 4.8456 2.7439 1.0479 5.2857e+05 2023-04-08 00:12:09,976 INFO [main.py:643]
{rank 0/100} MD step = 329300 step time: 00:00:00.017912 Performance: 128.678 ns/day 0.187 hours/ns 7.447 steps/s 2023-04-08 00:12:22,544 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 329300 65860 49.78 -36319 5456 -41775 -41775 4.8486 2.7446 1.0476 5.2876e+05 2023-04-08 00:12:24,547 INFO [main.py:643]
{rank 0/100} MD step = 329400 step time: 00:00:00.017915 Performance: 128.675 ns/day 0.187 hours/ns 7.446 steps/s 2023-04-08 00:12:37,690 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 329400 65880 49.477 -36359 5422.7 -41781 -41781 4.8537 2.7453 1.0482 5.2889e+05 2023-04-08 00:12:39,515 INFO [main.py:643]
{rank 0/100} MD step = 329500 step time: 00:00:00.017934 Performance: 128.670 ns/day 0.187 hours/ns 7.446 steps/s 2023-04-08 00:12:57,290 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 329500 65900 49.864 -36292 5465.2 -41757 -41757 4.8562 2.7464 1.0492 5.2908e+05 2023-04-08 00:12:59,329 INFO [main.py:643]
{rank 0/100} MD step = 329600 step time: 00:00:00.017871 Performance: 128.652 ns/day 0.187 hours/ns 7.445 steps/s 2023-04-08 00:13:00,491 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 329600 65920 50.035 -36172 5483.9 -41656 -41656 4.8614 2.7478 1.0509 5.2925e+05 2023-04-08 00:13:02,330 INFO [main.py:643]
{rank 0/100} MD step = 329700 step time: 00:00:00.018165 Performance: 128.682 ns/day 0.187 hours/ns 7.447 steps/s 2023-04-08 00:13:09,934 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 329700 65940 50.427 -36224 5526.9 -41751 -41751 4.8661 2.7477 1.051 5.294e+05 2023-04-08 00:13:11,801 INFO [main.py:643]
{rank 0/100} MD step = 329800 step time: 00:00:00.017934 Performance: 128.693 ns/day 0.186 hours/ns 7.448 steps/s 2023-04-08 00:13:25,031 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 329800 65960 49.577 -36338 5433.8 -41772 -41772 4.8676 2.7488 1.0509 5.2959e+05 2023-04-08 00:13:26,843 INFO [main.py:643]
{rank 0/100} MD step = 329900 step time: 00:00:00.018256 Performance: 128.689 ns/day 0.186 hours/ns 7.447 steps/s 2023-04-08 00:13:31,368 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 329900 65980 49.707 -36256 5448 -41704 -41704 4.8689 2.7495 1.0521 5.2973e+05 2023-04-08 00:13:33,309 INFO [main.py:643]
{rank 0/100} MD step = 330000 step time: 00:00:00.018014 Performance: 128.709 ns/day 0.186 hours/ns 7.448 steps/s 2023-04-08 00:13:48,761 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 330000 66000 50.108 -36197 5491.9 -41689 -41689 4.8728 2.7516 1.0536 5.2991e+05 2023-04-08 00:13:50,613 INFO [main.py:643]
{rank 0/100} MD step = 330100 step time: 00:00:00.018061 Performance: 128.698 ns/day 0.186 hours/ns 7.448 steps/s 2023-04-08 00:13:55,346 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 330100 66020 49.97 -36337 5476.7 -41814 -41814 4.8766 2.7523 1.0532 5.3007e+05 2023-04-08 00:13:57,294 INFO [main.py:643]
{rank 0/100} MD step = 330200 step time: 00:00:00.018160 Performance: 128.717 ns/day 0.186 hours/ns 7.449 steps/s 2023-04-08 00:13:58,552 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 330200 66040 49.347 -36323 5408.4 -41731 -41731 4.8801 2.7522 1.0538 5.3023e+05 2023-04-08 00:14:00,375 INFO [main.py:643]
{rank 0/100} MD step = 330300 step time: 00:00:00.017952 Performance: 128.747 ns/day 0.186 hours/ns 7.451 steps/s 2023-04-08 00:14:03,941 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 330300 66060 49.794 -36118 5457.5 -41575 -41575 4.8847 2.7551 1.054 5.3041e+05 2023-04-08 00:14:05,810 INFO [main.py:643]
{rank 0/100} MD step = 330400 step time: 00:00:00.017922 Performance: 128.771 ns/day 0.186 hours/ns 7.452 steps/s 2023-04-08 00:14:06,961 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 330400 66080 50.023 -36140 5482.6 -41623 -41623 4.8881 2.7564 1.0543 5.3056e+05 2023-04-08 00:14:08,855 INFO [main.py:643]
{rank 0/100} MD step = 330500 step time: 00:00:00.018078 Performance: 128.801 ns/day 0.186 hours/ns 7.454 steps/s 2023-04-08 00:14:10,428 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 330500 66100 50.144 -36186 5495.9 -41682 -41682 4.8912 2.7566 1.0557 5.3072e+05 2023-04-08 00:14:12,326 INFO [main.py:643]
{rank 0/100} MD step = 330600 step time: 00:00:00.017909 Performance: 128.830 ns/day 0.186 hours/ns 7.455 steps/s 2023-04-08 00:14:20,901 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 330600 66120 50.215 -36159 5503.7 -41662 -41662 4.895 2.7572 1.0557 5.3088e+05 2023-04-08 00:14:22,754 INFO [main.py:643]
{rank 0/100} MD step = 330700 step time: 00:00:00.018089 Performance: 128.838 ns/day 0.186 hours/ns 7.456 steps/s 2023-04-08 00:14:32,165 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 330700 66140 48.917 -36299 5361.3 -41660 -41660 4.8987 2.7584 1.056 5.3103e+05 2023-04-08 00:14:34,046 INFO [main.py:643]
{rank 0/100} MD step = 330800 step time: 00:00:00.017971 Performance: 128.844 ns/day 0.186 hours/ns 7.456 steps/s 2023-04-08 00:14:42,241 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 330800 66160 49.888 -36276 5467.8 -41744 -41744 4.9035 2.7606 1.0562 5.3121e+05 2023-04-08 00:14:47,391 INFO [main.py:643]
{rank 0/100} MD step = 330900 step time: 00:00:00.017990 Performance: 128.845 ns/day 0.186 hours/ns 7.456 steps/s 2023-04-08 00:14:59,521 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 330900 66180 49.07 -36380 5378.1 -41758 -41758 4.9084 2.7631 1.0561 5.3136e+05 2023-04-08 00:15:01,322 INFO [main.py:643]
{rank 0/100} MD step = 331000 step time: 00:00:00.018131 Performance: 128.843 ns/day 0.186 hours/ns 7.456 steps/s 2023-04-08 00:15:10,765 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 331000 66200 48.693 -36311 5336.8 -41647 -41647 4.9094 2.7646 1.0582 5.3153e+05 2023-04-08 00:15:12,645 INFO [main.py:643]
{rank 0/100} MD step = 331100 step time: 00:00:00.018075 Performance: 128.849 ns/day 0.186 hours/ns 7.457 steps/s 2023-04-08 00:15:29,949 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 331100 66220 50.932 -36158 5582.2 -41740 -41740 4.9107 2.7644 1.0578 5.3168e+05 2023-04-08 00:15:31,930 INFO [main.py:643]
{rank 0/100} MD step = 331200 step time: 00:00:00.018006 Performance: 128.832 ns/day 0.186 hours/ns 7.456 steps/s 2023-04-08 00:15:40,275 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 331200 66240 50.016 -36147 5481.9 -41629 -41629 4.9165 2.7657 1.058 5.3185e+05 2023-04-08 00:15:42,473 INFO [main.py:643]
{rank 0/100} MD step = 331300 step time: 00:00:00.018029 Performance: 128.840 ns/day 0.186 hours/ns 7.456 steps/s 2023-04-08 00:15:51,003 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 331300 66260 49.437 -36208 5418.4 -41626 -41626 4.9171 2.7658 1.058 5.3203e+05 2023-04-08 00:15:53,275 INFO [main.py:643]
{rank 0/100} MD step = 331400 step time: 00:00:00.017887 Performance: 128.848 ns/day 0.186 hours/ns 7.456 steps/s 2023-04-08 00:16:18,818 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 331400 66280 49.561 -36261 5431.9 -41692 -41692 4.9212 2.7652 1.0579 5.3216e+05 2023-04-08 00:16:20,916 INFO [main.py:643]
{rank 0/100} MD step = 331500 step time: 00:00:00.018037 Performance: 128.807 ns/day 0.186 hours/ns 7.454 steps/s 2023-04-08 00:16:25,761 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 331500 66300 49.254 -36304 5398.3 -41702 -41702 4.9244 2.767 1.0579 5.3231e+05 2023-04-08 00:16:27,682 INFO [main.py:643]
{rank 0/100} MD step = 331600 step time: 00:00:00.017768 Performance: 128.826 ns/day 0.186 hours/ns 7.455 steps/s 2023-04-08 00:16:57,430 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 331600 66320 50.842 -36162 5572.3 -41734 -41734 4.9256 2.7683 1.0572 5.3249e+05 2023-04-08 00:17:03,665 INFO [main.py:643]
{rank 0/100} MD step = 331700 step time: 00:00:00.017950 Performance: 128.761 ns/day 0.186 hours/ns 7.451 steps/s 2023-04-08 00:17:08,699 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 331700 66340 50.748 -36122 5562 -41684 -41684 4.9295 2.7697 1.0582 5.3265e+05 2023-04-08 00:17:10,507 INFO [main.py:643]
{rank 0/100} MD step = 331800 step time: 00:00:00.017951 Performance: 128.780 ns/day 0.186 hours/ns 7.453 steps/s 2023-04-08 00:17:15,253 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 331800 66360 50.079 -36198 5488.7 -41687 -41687 4.9343 2.7702 1.0589 5.3282e+05 2023-04-08 00:17:17,221 INFO [main.py:643]
{rank 0/100} MD step = 331900 step time: 00:00:00.018018 Performance: 128.799 ns/day 0.186 hours/ns 7.454 steps/s 2023-04-08 00:17:25,919 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 331900 66380 50.326 -36165 5515.8 -41681 -41681 4.9388 2.7712 1.0591 5.3296e+05 2023-04-08 00:17:27,753 INFO [main.py:643]
{rank 0/100} MD step = 332000 step time: 00:00:00.017998 Performance: 128.807 ns/day 0.186 hours/ns 7.454 steps/s 2023-04-08 00:17:36,152 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 332000 66400 50.025 -36220 5482.8 -41703 -41703 4.9425 2.7714 1.0583 5.3313e+05 2023-04-08 00:17:38,063 INFO [main.py:643]
{rank 0/100} MD step = 332100 step time: 00:00:00.017929 Performance: 128.816 ns/day 0.186 hours/ns 7.455 steps/s 2023-04-08 00:17:51,502 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 332100 66420 50.038 -36229 5484.2 -41713 -41713 4.9463 2.7727 1.0572 5.3328e+05 2023-04-08 00:17:53,341 INFO [main.py:643]
{rank 0/100} MD step = 332200 step time: 00:00:00.017961 Performance: 128.811 ns/day 0.186 hours/ns 7.454 steps/s 2023-04-08 00:18:02,437 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 332200 66440 50.516 -36062 5536.6 -41599 -41599 4.9478 2.775 1.0578 5.3347e+05 2023-04-08 00:18:04,287 INFO [main.py:643]
{rank 0/100} MD step = 332300 step time: 00:00:00.017887 Performance: 128.818 ns/day 0.186 hours/ns 7.455 steps/s 2023-04-08 00:18:09,630 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 332300 66460 50.49 -36072 5533.7 -41606 -41606 4.9515 2.7752 1.0593 5.3362e+05 2023-04-08 00:18:11,473 INFO [main.py:643]
{rank 0/100} MD step = 332400 step time: 00:00:00.018089 Performance: 128.836 ns/day 0.186 hours/ns 7.456 steps/s 2023-04-08 00:18:27,755 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 332400 66480 50.031 -36244 5483.4 -41727 -41727 4.9546 2.7756 1.0587 5.3374e+05 2023-04-08 00:18:29,685 INFO [main.py:643]
{rank 0/100} MD step = 332500 step time: 00:00:00.018066 Performance: 128.822 ns/day 0.186 hours/ns 7.455 steps/s 2023-04-08 00:18:41,379 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 332500 66500 49.949 -36164 5474.5 -41638 -41638 4.958 2.7763 1.0587 5.3391e+05 2023-04-08 00:18:43,186 INFO [main.py:643]
{rank 0/100} MD step = 332600 step time: 00:00:00.017997 Performance: 128.822 ns/day 0.186 hours/ns 7.455 steps/s 2023-04-08 00:19:00,026 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 332600 66520 49.778 -36166 5455.7 -41621 -41621 4.9637 2.7768 1.0586 5.3407e+05 2023-04-08 00:19:01,842 INFO [main.py:643]
{rank 0/100} MD step = 332700 step time: 00:00:00.018107 Performance: 128.807 ns/day 0.186 hours/ns 7.454 steps/s 2023-04-08 00:19:14,901 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 332700 66540 49.564 -36239 5432.3 -41672 -41672 4.9676 2.7763 1.0591 5.3424e+05 2023-04-08 00:19:16,819 INFO [main.py:643]
{rank 0/100} MD step = 332800 step time: 00:00:00.018158 Performance: 128.802 ns/day 0.186 hours/ns 7.454 steps/s 2023-04-08 00:19:25,688 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 332800 66560 49.477 -36263 5422.8 -41686 -41686 4.9697 2.7748 1.0578 5.3439e+05 2023-04-08 00:19:27,658 INFO [main.py:643]
{rank 0/100} MD step = 332900 step time: 00:00:00.017960 Performance: 128.810 ns/day 0.186 hours/ns 7.454 steps/s 2023-04-08 00:19:41,077 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 332900 66580 50.038 -36159 5484.2 -41643 -41643 4.973 2.7747 1.0576 5.3455e+05 2023-04-08 00:19:42,987 INFO [main.py:643]
{rank 0/100} MD step = 333000 step time: 00:00:00.017919 Performance: 128.804 ns/day 0.186 hours/ns 7.454 steps/s 2023-04-08 00:20:05,047 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 333000 66600 50.302 -36220 5513.1 -41733 -41733 4.9777 2.7756 1.0573 5.3469e+05 2023-04-08 00:20:07,114 INFO [main.py:643]
{rank 0/100} MD step = 333100 step time: 00:00:00.017952 Performance: 128.773 ns/day 0.186 hours/ns 7.452 steps/s 2023-04-08 00:20:11,161 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 333100 66620 49.897 -36239 5468.8 -41708 -41708 4.9826 2.7765 1.0573 5.3486e+05 2023-04-08 00:20:12,979 INFO [main.py:643]
{rank 0/100} MD step = 333200 step time: 00:00:00.018092 Performance: 128.795 ns/day 0.186 hours/ns 7.453 steps/s 2023-04-08 00:20:14,097 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 333200 66640 49.9 -36165 5469.1 -41634 -41634 4.9866 2.7774 1.0567 5.3501e+05 2023-04-08 00:20:15,986 INFO [main.py:643]
{rank 0/100} MD step = 333300 step time: 00:00:00.018002 Performance: 128.825 ns/day 0.186 hours/ns 7.455 steps/s 2023-04-08 00:20:23,913 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 333300 66660 49.811 -36127 5459.3 -41587 -41587 4.991 2.7787 1.0573 5.3517e+05 2023-04-08 00:20:25,922 INFO [main.py:643]
{rank 0/100} MD step = 333400 step time: 00:00:00.017947 Performance: 128.835 ns/day 0.186 hours/ns 7.456 steps/s 2023-04-08 00:20:30,539 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 333400 66680 49.622 -36309 5438.6 -41747 -41747 4.9955 2.7795 1.0581 5.3533e+05 2023-04-08 00:20:32,353 INFO [main.py:643]
{rank 0/100} MD step = 333500 step time: 00:00:00.017884 Performance: 128.855 ns/day 0.186 hours/ns 7.457 steps/s 2023-04-08 00:20:45,254 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 333500 66700 49.991 -36192 5479 -41671 -41671 5.0009 2.7786 1.058 5.355e+05 2023-04-08 00:20:47,595 INFO [main.py:643]
{rank 0/100} MD step = 333600 step time: 00:00:00.018070 Performance: 128.850 ns/day 0.186 hours/ns 7.457 steps/s 2023-04-08 00:20:56,071 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 333600 66720 49.881 -36226 5467 -41693 -41693 5.0053 2.7805 1.0579 5.3569e+05 2023-04-08 00:20:57,869 INFO [main.py:643]
{rank 0/100} MD step = 333700 step time: 00:00:00.020851 Performance: 128.859 ns/day 0.186 hours/ns 7.457 steps/s 2023-04-08 00:21:02,524 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 333700 66740 50.306 -36186 5513.6 -41699 -41699 5.0079 2.7818 1.0583 5.3582e+05 2023-04-08 00:21:04,335 INFO [main.py:643]
{rank 0/100} MD step = 333800 step time: 00:00:00.018041 Performance: 128.879 ns/day 0.186 hours/ns 7.458 steps/s 2023-04-08 00:21:13,271 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 333800 66760 50.632 -36206 5549.3 -41755 -41755 5.0093 2.7838 1.0594 5.3599e+05 2023-04-08 00:21:19,408 INFO [main.py:643]
{rank 0/100} MD step = 333900 step time: 00:00:00.018006 Performance: 128.874 ns/day 0.186 hours/ns 7.458 steps/s 2023-04-08 00:21:24,505 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 333900 66780 49.86 -36280 5464.8 -41745 -41745 5.012 2.7853 1.0589 5.3616e+05 2023-04-08 00:21:29,663 INFO [main.py:643]
{rank 0/100} MD step = 334000 step time: 00:00:00.018061 Performance: 128.883 ns/day 0.186 hours/ns 7.459 steps/s 2023-04-08 00:21:45,415 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 334000 66800 50.395 -36168 5523.3 -41691 -41691 5.0132 2.7856 1.0583 5.3634e+05 2023-04-08 00:21:47,279 INFO [main.py:643]
{rank 0/100} MD step = 334100 step time: 00:00:00.017817 Performance: 128.871 ns/day 0.186 hours/ns 7.458 steps/s 2023-04-08 00:22:04,685 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 334100 66820 48.963 -36295 5366.5 -41661 -41661 5.0182 2.7843 1.0579 5.3648e+05 2023-04-08 00:22:06,650 INFO [main.py:643]
{rank 0/100} MD step = 334200 step time: 00:00:00.018016 Performance: 128.854 ns/day 0.186 hours/ns 7.457 steps/s 2023-04-08 00:22:24,271 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 334200 66840 50.549 -36050 5540.2 -41590 -41590 5.0242 2.7854 1.0573 5.3669e+05 2023-04-08 00:22:26,141 INFO [main.py:643]
{rank 0/100} MD step = 334300 step time: 00:00:00.018062 Performance: 128.837 ns/day 0.186 hours/ns 7.456 steps/s 2023-04-08 00:22:43,877 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 334300 66860 50.068 -36153 5487.5 -41640 -41640 5.0252 2.7862 1.0566 5.3683e+05 2023-04-08 00:22:45,714 INFO [main.py:643]
{rank 0/100} MD step = 334400 step time: 00:00:00.018047 Performance: 128.819 ns/day 0.186 hours/ns 7.455 steps/s 2023-04-08 00:22:54,495 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 334400 66880 49.888 -36247 5467.8 -41714 -41714 5.0285 2.7869 1.0564 5.37e+05 2023-04-08 00:22:56,331 INFO [main.py:643]
{rank 0/100} MD step = 334500 step time: 00:00:00.019559 Performance: 128.827 ns/day 0.186 hours/ns 7.455 steps/s 2023-04-08 00:23:17,611 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 334500 66900 50.259 -36159 5508.5 -41668 -41668 5.0335 2.7876 1.0565 5.3714e+05 2023-04-08 00:23:19,435 INFO [main.py:643]
{rank 0/100} MD step = 334600 step time: 00:00:00.018145 Performance: 128.799 ns/day 0.186 hours/ns 7.454 steps/s 2023-04-08 00:23:36,784 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 334600 66920 49.821 -36123 5460.4 -41584 -41584 5.0392 2.7884 1.0558 5.373e+05 2023-04-08 00:23:38,693 INFO [main.py:643]
{rank 0/100} MD step = 334700 step time: 00:00:00.017959 Performance: 128.782 ns/day 0.186 hours/ns 7.453 steps/s 2023-04-08 00:24:04,888 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 334700 66940 49.902 -36296 5469.3 -41765 -41765 5.043 2.7876 1.0565 5.3745e+05 2023-04-08 00:24:06,755 INFO [main.py:643]
{rank 0/100} MD step = 334800 step time: 00:00:00.018052 Performance: 128.740 ns/day 0.186 hours/ns 7.450 steps/s 2023-04-08 00:24:24,210 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 334800 66960 50.68 -36012 5554.6 -41567 -41567 5.0464 2.7873 1.0558 5.3765e+05 2023-04-08 00:24:26,111 INFO [main.py:643]
{rank 0/100} MD step = 334900 step time: 00:00:00.017977 Performance: 128.723 ns/day 0.186 hours/ns 7.449 steps/s 2023-04-08 00:24:35,412 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 334900 66980 49.262 -36351 5399.1 -41750 -41750 5.0494 2.7874 1.0572 5.3779e+05 2023-04-08 00:24:37,321 INFO [main.py:643]
{rank 0/100} MD step = 335000 step time: 00:00:00.017891 Performance: 128.730 ns/day 0.186 hours/ns 7.450 steps/s 2023-04-08 00:24:46,078 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 335000 67000 50.183 -36208 5500.1 -41708 -41708 5.0524 2.7881 1.0559 5.3794e+05 2023-04-08 00:24:47,908 INFO [main.py:643]
{rank 0/100} MD step = 335100 step time: 00:00:00.020944 Performance: 128.738 ns/day 0.186 hours/ns 7.450 steps/s 2023-04-08 00:24:49,072 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 335100 67020 49.645 -36220 5441.2 -41661 -41661 5.0573 2.788 1.0557 5.3811e+05 2023-04-08 00:24:50,930 INFO [main.py:643]
{rank 0/100} MD step = 335200 step time: 00:00:00.018173 Performance: 128.768 ns/day 0.186 hours/ns 7.452 steps/s 2023-04-08 00:25:03,068 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 335200 67040 49.528 -36180 5428.3 -41608 -41608 5.0609 2.7885 1.0562 5.3829e+05 2023-04-08 00:25:04,929 INFO [main.py:643]
{rank 0/100} MD step = 335300 step time: 00:00:00.017996 Performance: 128.766 ns/day 0.186 hours/ns 7.452 steps/s 2023-04-08 00:25:20,101 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 335300 67060 50.288 -36129 5511.6 -41640 -41640 5.0645 2.7872 1.0556 5.3845e+05 2023-04-08 00:25:21,980 INFO [main.py:643]
{rank 0/100} MD step = 335400 step time: 00:00:00.017942 Performance: 128.756 ns/day 0.186 hours/ns 7.451 steps/s 2023-04-08 00:25:39,306 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 335400 67080 50.239 -36094 5506.3 -41601 -41601 5.0701 2.7867 1.0556 5.3862e+05 2023-04-08 00:25:41,428 INFO [main.py:643]
{rank 0/100} MD step = 335500 step time: 00:00:00.017797 Performance: 128.738 ns/day 0.186 hours/ns 7.450 steps/s 2023-04-08 00:25:50,991 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 335500 67100 49.877 -36201 5466.6 -41668 -41668 5.0749 2.7865 1.0555 5.3878e+05 2023-04-08 00:25:52,789 INFO [main.py:643]
{rank 0/100} MD step = 335600 step time: 00:00:00.018080 Performance: 128.744 ns/day 0.186 hours/ns 7.450 steps/s 2023-04-08 00:25:58,975 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 335600 67120 50.665 -36137 5553 -41690 -41690 5.0789 2.7868 1.0556 5.3895e+05 2023-04-08 00:26:00,792 INFO [main.py:643]
{rank 0/100} MD step = 335700 step time: 00:00:00.018043 Performance: 128.760 ns/day 0.186 hours/ns 7.451 steps/s 2023-04-08 00:26:05,909 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 335700 67140 50.092 -36167 5490.1 -41657 -41657 5.0823 2.7862 1.0532 5.3912e+05 2023-04-08 00:26:07,963 INFO [main.py:643]
{rank 0/100} MD step = 335800 step time: 00:00:00.018030 Performance: 128.778 ns/day 0.186 hours/ns 7.452 steps/s 2023-04-08 00:26:37,416 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 335800 67160 50.588 -36124 5544.5 -41668 -41668 5.0862 2.7868 1.0533 5.3929e+05 2023-04-08 00:26:39,380 INFO [main.py:643]
{rank 0/100} MD step = 335900 step time: 00:00:00.017968 Performance: 128.726 ns/day 0.186 hours/ns 7.449 steps/s 2023-04-08 00:26:42,393 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 335900 67180 50.191 -36241 5501 -41742 -41742 5.09 2.7874 1.0523 5.3945e+05 2023-04-08 00:26:44,287 INFO [main.py:643]
{rank 0/100} MD step = 336000 step time: 00:00:00.035708 Performance: 128.751 ns/day 0.186 hours/ns 7.451 steps/s 2023-04-08 00:27:01,447 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 336000 67200 50.512 -36223 5536.2 -41759 -41759 5.094 2.7863 1.0524 5.3959e+05 2023-04-08 00:27:03,242 INFO [main.py:643]
{rank 0/100} MD step = 336100 step time: 00:00:00.018380 Performance: 128.735 ns/day 0.186 hours/ns 7.450 steps/s 2023-04-08 00:27:20,614 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 336100 67220 49.728 -36253 5450.3 -41704 -41704 5.0962 2.7864 1.0513 5.3976e+05 2023-04-08 00:27:22,498 INFO [main.py:643]
{rank 0/100} MD step = 336200 step time: 00:00:00.018056 Performance: 128.718 ns/day 0.186 hours/ns 7.449 steps/s 2023-04-08 00:27:23,882 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 336200 67240 50.766 -36076 5564 -41640 -41640 5.1012 2.7861 1.05 5.3995e+05 2023-04-08 00:27:25,696 INFO [main.py:643]
{rank 0/100} MD step = 336300 step time: 00:00:00.017972 Performance: 128.747 ns/day 0.186 hours/ns 7.451 steps/s 2023-04-08 00:27:41,720 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 336300 67260 50.058 -36255 5486.4 -41741 -41741 5.1034 2.7868 1.0501 5.4009e+05 2023-04-08 00:27:43,701 INFO [main.py:643]
{rank 0/100} MD step = 336400 step time: 00:00:00.018246 Performance: 128.734 ns/day 0.186 hours/ns 7.450 steps/s 2023-04-08 00:28:01,636 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 336400 67280 49.802 -36193 5458.4 -41652 -41652 5.1047 2.788 1.0514 5.4028e+05 2023-04-08 00:28:03,551 INFO [main.py:643]
{rank 0/100} MD step = 336500 step time: 00:00:00.018110 Performance: 128.716 ns/day 0.186 hours/ns 7.449 steps/s 2023-04-08 00:28:08,132 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 336500 67300 50.186 -36078 5500.5 -41579 -41579 5.1096 2.7897 1.0504 5.4046e+05 2023-04-08 00:28:09,936 INFO [main.py:643]
{rank 0/100} MD step = 336600 step time: 00:00:00.017929 Performance: 128.736 ns/day 0.186 hours/ns 7.450 steps/s 2023-04-08 00:28:31,693 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 336600 67320 50.122 -36258 5493.5 -41752 -41752 5.1141 2.7904 1.0514 5.4057e+05 2023-04-08 00:28:33,583 INFO [main.py:643]
{rank 0/100} MD step = 336700 step time: 00:00:00.017988 Performance: 128.707 ns/day 0.186 hours/ns 7.448 steps/s 2023-04-08 00:28:48,371 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 336700 67340 50.051 -36262 5485.7 -41748 -41748 5.1169 2.7909 1.0525 5.4074e+05 2023-04-08 00:28:50,258 INFO [main.py:643]
{rank 0/100} MD step = 336800 step time: 00:00:00.017937 Performance: 128.698 ns/day 0.186 hours/ns 7.448 steps/s 2023-04-08 00:28:59,527 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 336800 67360 49.34 -36258 5407.7 -41666 -41666 5.1205 2.793 1.0527 5.4094e+05 2023-04-08 00:29:01,483 INFO [main.py:643]
{rank 0/100} MD step = 336900 step time: 00:00:00.018114 Performance: 128.704 ns/day 0.186 hours/ns 7.448 steps/s 2023-04-08 00:29:05,709 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 336900 67380 49.983 -36189 5478.2 -41667 -41667 5.1255 2.7928 1.0538 5.4105e+05 2023-04-08 00:29:07,546 INFO [main.py:643]
{rank 0/100} MD step = 337000 step time: 00:00:00.018180 Performance: 128.725 ns/day 0.186 hours/ns 7.449 steps/s 2023-04-08 00:29:16,259 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 337000 67400 49.791 -36202 5457.1 -41659 -41659 5.13 2.7939 1.0533 5.4122e+05 2023-04-08 00:29:18,156 INFO [main.py:643]
{rank 0/100} MD step = 337100 step time: 00:00:00.018003 Performance: 128.733 ns/day 0.186 hours/ns 7.450 steps/s 2023-04-08 00:29:23,069 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 337100 67420 50.368 -36148 5520.4 -41669 -41669 5.1334 2.7943 1.0523 5.4139e+05 2023-04-08 00:29:28,627 INFO [main.py:643]
{rank 0/100} MD step = 337200 step time: 00:00:00.018115 Performance: 128.741 ns/day 0.186 hours/ns 7.450 steps/s 2023-04-08 00:29:30,565 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 337200 67440 50.396 -36137 5523.4 -41660 -41660 5.1351 2.7956 1.0528 5.4154e+05 2023-04-08 00:29:32,399 INFO [main.py:643]
{rank 0/100} MD step = 337300 step time: 00:00:00.017950 Performance: 128.769 ns/day 0.186 hours/ns 7.452 steps/s 2023-04-08 00:29:48,409 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 337300 67460 50.28 -36206 5510.7 -41717 -41717 5.1382 2.7966 1.0507 5.4171e+05 2023-04-08 00:29:50,230 INFO [main.py:643]
{rank 0/100} MD step = 337400 step time: 00:00:00.017994 Performance: 128.756 ns/day 0.186 hours/ns 7.451 steps/s 2023-04-08 00:29:55,051 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 337400 67480 49.405 -36232 5414.8 -41647 -41647 5.1422 2.7977 1.0506 5.4185e+05 2023-04-08 00:29:57,066 INFO [main.py:643]
{rank 0/100} MD step = 337500 step time: 00:00:00.017994 Performance: 128.775 ns/day 0.186 hours/ns 7.452 steps/s 2023-04-08 00:29:57,883 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 337500 67500 50.086 -36218 5489.5 -41708 -41708 5.1471 2.7981 1.0506 5.42e+05 2023-04-08 00:30:00,158 INFO [main.py:643]
{rank 0/100} MD step = 337600 step time: 00:00:00.017975 Performance: 128.804 ns/day 0.186 hours/ns 7.454 steps/s 2023-04-08 00:30:04,106 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 337600 67520 49.54 -36302 5429.6 -41731 -41731 5.1519 2.7991 1.0513 5.4215e+05 2023-04-08 00:30:05,935 INFO [main.py:643]
{rank 0/100} MD step = 337700 step time: 00:00:00.018054 Performance: 128.826 ns/day 0.186 hours/ns 7.455 steps/s 2023-04-08 00:30:10,699 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 337700 67540 50.064 -36202 5487 -41689 -41689 5.1551 2.7992 1.0527 5.423e+05 2023-04-08 00:30:12,576 INFO [main.py:643]
{rank 0/100} MD step = 337800 step time: 00:00:00.017969 Performance: 128.845 ns/day 0.186 hours/ns 7.456 steps/s 2023-04-08 00:30:20,626 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 337800 67560 50.16 -36264 5497.6 -41761 -41761 5.1603 2.8004 1.052 5.4244e+05 2023-04-08 00:30:22,597 INFO [main.py:643]
{rank 0/100} MD step = 337900 step time: 00:00:00.018070 Performance: 128.855 ns/day 0.186 hours/ns 7.457 steps/s 2023-04-08 00:30:23,757 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 337900 67580 49.288 -36355 5402 -41757 -41757 5.1643 2.8012 1.0522 5.426e+05 2023-04-08 00:30:25,647 INFO [main.py:643]
{rank 0/100} MD step = 338000 step time: 00:00:00.018054 Performance: 128.884 ns/day 0.186 hours/ns 7.459 steps/s 2023-04-08 00:30:27,379 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 338000 67600 50.754 -36071 5562.7 -41633 -41633 5.167 2.8021 1.0532 5.4278e+05 2023-04-08 00:30:29,320 INFO [main.py:643]
{rank 0/100} MD step = 338100 step time: 00:00:00.017907 Performance: 128.912 ns/day 0.186 hours/ns 7.460 steps/s 2023-04-08 00:30:38,224 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 338100 67620 49.439 -36223 5418.6 -41642 -41642 5.1715 2.8029 1.0528 5.4296e+05 2023-04-08 00:30:40,158 INFO [main.py:643]
{rank 0/100} MD step = 338200 step time: 00:00:00.017997 Performance: 128.919 ns/day 0.186 hours/ns 7.461 steps/s 2023-04-08 00:31:02,194 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 338200 67640 48.991 -36295 5369.5 -41664 -41664 5.1752 2.8036 1.0533 5.4315e+05 2023-04-08 00:31:07,395 INFO [main.py:643]
{rank 0/100} MD step = 338300 step time: 00:00:00.017977 Performance: 128.880 ns/day 0.186 hours/ns 7.458 steps/s 2023-04-08 00:31:19,784 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 338300 67660 49.814 -36183 5459.7 -41643 -41643 5.1803 2.8044 1.0539 5.4329e+05 2023-04-08 00:31:21,750 INFO [main.py:643]
{rank 0/100} MD step = 338400 step time: 00:00:00.018036 Performance: 128.877 ns/day 0.186 hours/ns 7.458 steps/s 2023-04-08 00:31:37,808 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 338400 67680 49.126 -36292 5384.3 -41677 -41677 5.1848 2.8051 1.0538 5.4345e+05 2023-04-08 00:31:39,706 INFO [main.py:643]
{rank 0/100} MD step = 338500 step time: 00:00:00.017981 Performance: 128.864 ns/day 0.186 hours/ns 7.457 steps/s 2023-04-08 00:31:48,755 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 338500 67700 49.298 -36214 5403.1 -41617 -41617 5.1884 2.8067 1.0542 5.4361e+05 2023-04-08 00:31:51,910 INFO [main.py:643]
{rank 0/100} MD step = 338600 step time: 00:00:00.018006 Performance: 128.868 ns/day 0.186 hours/ns 7.458 steps/s 2023-04-08 00:32:10,714 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 338600 67720 50.506 -36143 5535.5 -41679 -41679 5.1943 2.8092 1.0531 5.4379e+05 2023-04-08 00:32:12,642 INFO [main.py:643]
{rank 0/100} MD step = 338700 step time: 00:00:00.017753 Performance: 128.847 ns/day 0.186 hours/ns 7.456 steps/s 2023-04-08 00:32:21,269 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 338700 67740 50.126 -36246 5493.9 -41740 -41740 5.1973 2.8103 1.0547 5.4396e+05 2023-04-08 00:32:23,210 INFO [main.py:643]
{rank 0/100} MD step = 338800 step time: 00:00:00.017934 Performance: 128.855 ns/day 0.186 hours/ns 7.457 steps/s 2023-04-08 00:32:35,941 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 338800 67760 50.334 -36097 5516.7 -41613 -41613 5.2025 2.8115 1.0529 5.4417e+05 2023-04-08 00:32:37,819 INFO [main.py:643]
{rank 0/100} MD step = 338900 step time: 00:00:00.017873 Performance: 128.852 ns/day 0.186 hours/ns 7.457 steps/s 2023-04-08 00:32:42,772 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 338900 67780 50.27 -36194 5509.7 -41703 -41703 5.205 2.8124 1.0527 5.4428e+05 2023-04-08 00:32:48,793 INFO [main.py:643]
{rank 0/100} MD step = 339000 step time: 00:00:00.018089 Performance: 128.859 ns/day 0.186 hours/ns 7.457 steps/s 2023-04-08 00:33:01,686 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 339000 67800 51.203 -36049 5611.9 -41661 -41661 5.2094 2.8134 1.0538 5.4445e+05 2023-04-08 00:33:03,644 INFO [main.py:643]
{rank 0/100} MD step = 339100 step time: 00:00:00.018009 Performance: 128.854 ns/day 0.186 hours/ns 7.457 steps/s 2023-04-08 00:33:12,444 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 339100 67820 49.343 -36366 5408 -41775 -41775 5.2166 2.8151 1.0533 5.4459e+05 2023-04-08 00:33:14,372 INFO [main.py:643]
{rank 0/100} MD step = 339200 step time: 00:00:00.017915 Performance: 128.862 ns/day 0.186 hours/ns 7.457 steps/s 2023-04-08 00:33:23,202 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 339200 67840 50.051 -36170 5485.7 -41656 -41656 5.222 2.8148 1.0524 5.4476e+05 2023-04-08 00:33:25,102 INFO [main.py:643]
{rank 0/100} MD step = 339300 step time: 00:00:00.017853 Performance: 128.870 ns/day 0.186 hours/ns 7.458 steps/s 2023-04-08 00:33:26,322 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 339300 67860 50.47 -36146 5531.5 -41677 -41677 5.2264 2.8161 1.0528 5.4489e+05 2023-04-08 00:33:28,204 INFO [main.py:643]
{rank 0/100} MD step = 339400 step time: 00:00:00.017960 Performance: 128.899 ns/day 0.186 hours/ns 7.459 steps/s 2023-04-08 00:33:44,865 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 339400 67880 49.826 -36288 5461 -41749 -41749 5.2307 2.8172 1.0526 5.4504e+05 2023-04-08 00:33:50,761 INFO [main.py:643]
{rank 0/100} MD step = 339500 step time: 00:00:00.017967 Performance: 128.873 ns/day 0.186 hours/ns 7.458 steps/s 2023-04-08 00:34:04,333 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 339500 67900 50.326 -36100 5515.7 -41616 -41616 5.2341 2.818 1.0515 5.4521e+05 2023-04-08 00:34:06,226 INFO [main.py:643]
{rank 0/100} MD step = 339600 step time: 00:00:00.018027 Performance: 128.867 ns/day 0.186 hours/ns 7.458 steps/s 2023-04-08 00:34:17,218 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 339600 67920 49.997 -36159 5479.7 -41639 -41639 5.2372 2.8188 1.0522 5.4537e+05 2023-04-08 00:34:19,045 INFO [main.py:643]
{rank 0/100} MD step = 339700 step time: 00:00:00.017915 Performance: 128.869 ns/day 0.186 hours/ns 7.458 steps/s 2023-04-08 00:34:40,539 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 339700 67940 50.176 -36167 5499.4 -41667 -41667 5.2403 2.8197 1.0517 5.4552e+05 2023-04-08 00:34:42,386 INFO [main.py:643]
{rank 0/100} MD step = 339800 step time: 00:00:00.017827 Performance: 128.841 ns/day 0.186 hours/ns 7.456 steps/s 2023-04-08 00:34:47,424 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 339800 67960 49.914 -36236 5470.7 -41707 -41707 5.2433 2.8206 1.0525 5.457e+05 2023-04-08 00:34:49,306 INFO [main.py:643]
{rank 0/100} MD step = 339900 step time: 00:00:00.022436 Performance: 128.859 ns/day 0.186 hours/ns 7.457 steps/s 2023-04-08 00:35:10,809 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 339900 67980 50.329 -36249 5516.2 -41765 -41765 5.2483 2.8219 1.0524 5.4585e+05 2023-04-08 00:35:12,902 INFO [main.py:643]
{rank 0/100} MD step = 340000 step time: 00:00:00.017975 Performance: 128.830 ns/day 0.186 hours/ns 7.455 steps/s 2023-04-08 00:35:30,054 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 340000 68000 49.785 -36303 5456.5 -41759 -41759 5.253 2.8222 1.0518 5.46e+05 2023-04-08 00:35:31,928 INFO [main.py:643]
{rank 0/100} MD step = 340100 step time: 00:00:00.017918 Performance: 128.814 ns/day 0.186 hours/ns 7.455 steps/s 2023-04-08 00:35:53,685 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 340100 68020 50.629 -36047 5549 -41596 -41596 5.2592 2.823 1.0518 5.4618e+05 2023-04-08 00:35:55,814 INFO [main.py:643]
{rank 0/100} MD step = 340200 step time: 00:00:00.017973 Performance: 128.785 ns/day 0.186 hours/ns 7.453 steps/s 2023-04-08 00:36:00,402 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 340200 68040 49.871 -36173 5465.9 -41639 -41639 5.2609 2.8236 1.0499 5.4632e+05 2023-04-08 00:36:02,331 INFO [main.py:643]
{rank 0/100} MD step = 340300 step time: 00:00:00.018000 Performance: 128.804 ns/day 0.186 hours/ns 7.454 steps/s 2023-04-08 00:36:25,687 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 340300 68060 50.641 -36191 5550.4 -41742 -41742 5.2671 2.8245 1.0506 5.4648e+05 2023-04-08 00:36:27,809 INFO [main.py:643]
{rank 0/100} MD step = 340400 step time: 00:00:00.018022 Performance: 128.770 ns/day 0.186 hours/ns 7.452 steps/s 2023-04-08 00:36:32,578 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 340400 68080 50.049 -36122 5485.5 -41607 -41607 5.2697 2.8242 1.0486 5.4666e+05 2023-04-08 00:36:34,406 INFO [main.py:643]
{rank 0/100} MD step = 340500 step time: 00:00:00.017926 Performance: 128.790 ns/day 0.186 hours/ns 7.453 steps/s 2023-04-08 00:36:43,641 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 340500 68100 49.653 -36246 5442 -41688 -41688 5.272 2.8253 1.0491 5.4679e+05 2023-04-08 00:36:45,464 INFO [main.py:643]
{rank 0/100} MD step = 340600 step time: 00:00:00.018044 Performance: 128.796 ns/day 0.186 hours/ns 7.453 steps/s 2023-04-08 00:37:15,101 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 340600 68120 49.802 -36182 5458.4 -41640 -41640 5.2758 2.8279 1.0489 5.4699e+05 2023-04-08 00:37:17,052 INFO [main.py:643]
{rank 0/100} MD step = 340700 step time: 00:00:00.017882 Performance: 128.745 ns/day 0.186 hours/ns 7.451 steps/s 2023-04-08 00:37:18,372 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 340700 68140 50.2 -36319 5502 -41821 -41821 5.2786 2.8292 1.048 5.4712e+05 2023-04-08 00:37:20,213 INFO [main.py:643]
{rank 0/100} MD step = 340800 step time: 00:00:00.017931 Performance: 128.774 ns/day 0.186 hours/ns 7.452 steps/s 2023-04-08 00:37:21,675 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 340800 68160 49.828 -36215 5461.3 -41677 -41677 5.2811 2.8305 1.0484 5.4732e+05 2023-04-08 00:37:23,521 INFO [main.py:643]
{rank 0/100} MD step = 340900 step time: 00:00:00.017833 Performance: 128.802 ns/day 0.186 hours/ns 7.454 steps/s 2023-04-08 00:37:24,659 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 340900 68180 50.394 -36124 5523.3 -41647 -41647 5.2846 2.8294 1.048 5.4749e+05 2023-04-08 00:37:26,544 INFO [main.py:643]
{rank 0/100} MD step = 341000 step time: 00:00:00.018334 Performance: 128.832 ns/day 0.186 hours/ns 7.456 steps/s 2023-04-08 00:37:27,695 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 341000 68200 48.988 -36235 5369.1 -41605 -41605 5.2882 2.8308 1.0494 5.4767e+05 2023-04-08 00:37:29,533 INFO [main.py:643]
{rank 0/100} MD step = 341100 step time: 00:00:00.017991 Performance: 128.861 ns/day 0.186 hours/ns 7.457 steps/s 2023-04-08 00:37:49,392 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 341100 68220 50.32 -36275 5515.2 -41790 -41790 5.2904 2.8305 1.0512 5.4778e+05 2023-04-08 00:37:51,445 INFO [main.py:643]
{rank 0/100} MD step = 341200 step time: 00:00:00.018044 Performance: 128.837 ns/day 0.186 hours/ns 7.456 steps/s 2023-04-08 00:38:04,502 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 341200 68240 49.764 -36279 5454.2 -41733 -41733 5.297 2.8307 1.0506 5.4793e+05 2023-04-08 00:38:06,411 INFO [main.py:643]
{rank 0/100} MD step = 341300 step time: 00:00:00.018046 Performance: 128.833 ns/day 0.186 hours/ns 7.456 steps/s 2023-04-08 00:38:19,771 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 341300 68260 51.248 -36119 5616.9 -41736 -41736 5.3005 2.8302 1.0481 5.481e+05 2023-04-08 00:38:21,666 INFO [main.py:643]
{rank 0/100} MD step = 341400 step time: 00:00:00.018020 Performance: 128.827 ns/day 0.186 hours/ns 7.455 steps/s 2023-04-08 00:38:27,676 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 341400 68280 51.164 -36048 5607.7 -41656 -41656 5.3054 2.8304 1.0476 5.4829e+05 2023-04-08 00:38:29,655 INFO [main.py:643]
{rank 0/100} MD step = 341500 step time: 00:00:00.017861 Performance: 128.843 ns/day 0.186 hours/ns 7.456 steps/s 2023-04-08 00:38:45,260 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 341500 68300 50.28 -36131 5510.8 -41642 -41642 5.3086 2.8305 1.0472 5.4847e+05 2023-04-08 00:38:51,536 INFO [main.py:643]
{rank 0/100} MD step = 341600 step time: 00:00:00.018051 Performance: 128.819 ns/day 0.186 hours/ns 7.455 steps/s 2023-04-08 00:39:04,790 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 341600 68320 49.219 -36388 5394.5 -41782 -41782 5.3116 2.8299 1.0472 5.4858e+05 2023-04-08 00:39:06,686 INFO [main.py:643]
{rank 0/100} MD step = 341700 step time: 00:00:00.018200 Performance: 128.814 ns/day 0.186 hours/ns 7.455 steps/s 2023-04-08 00:39:16,099 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 341700 68340 49.776 -36243 5455.5 -41699 -41699 5.3166 2.8298 1.0456 5.4877e+05 2023-04-08 00:39:18,026 INFO [main.py:643]
{rank 0/100} MD step = 341800 step time: 00:00:00.018477 Performance: 128.820 ns/day 0.186 hours/ns 7.455 steps/s 2023-04-08 00:39:26,264 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 341800 68360 49.834 -36188 5461.8 -41650 -41650 5.3207 2.8289 1.0459 5.4895e+05 2023-04-08 00:39:28,161 INFO [main.py:643]
{rank 0/100} MD step = 341900 step time: 00:00:00.018052 Performance: 128.829 ns/day 0.186 hours/ns 7.455 steps/s 2023-04-08 00:39:32,684 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 341900 68380 49.591 -36330 5435.2 -41765 -41765 5.3243 2.8307 1.0459 5.4908e+05 2023-04-08 00:39:34,535 INFO [main.py:643]
{rank 0/100} MD step = 342000 step time: 00:00:00.017998 Performance: 128.849 ns/day 0.186 hours/ns 7.457 steps/s 2023-04-08 00:39:52,366 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 342000 68400 50.628 -36190 5548.8 -41739 -41739 5.3317 2.831 1.0461 5.4924e+05 2023-04-08 00:39:54,201 INFO [main.py:643]
{rank 0/100} MD step = 342100 step time: 00:00:00.017908 Performance: 128.831 ns/day 0.186 hours/ns 7.456 steps/s 2023-04-08 00:40:07,146 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 342100 68420 50.162 -36138 5497.8 -41635 -41635 5.3354 2.8316 1.0468 5.494e+05 2023-04-08 00:40:08,976 INFO [main.py:643]
{rank 0/100} MD step = 342200 step time: 00:00:00.017980 Performance: 128.827 ns/day 0.186 hours/ns 7.455 steps/s 2023-04-08 00:40:22,212 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 342200 68440 50.062 -36267 5486.8 -41754 -41754 5.3412 2.8338 1.0461 5.4954e+05 2023-04-08 00:40:28,336 INFO [main.py:643]
{rank 0/100} MD step = 342300 step time: 00:00:00.018004 Performance: 128.811 ns/day 0.186 hours/ns 7.454 steps/s 2023-04-08 00:40:29,426 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 342300 68460 50.719 -36104 5558.9 -41663 -41663 5.3435 2.8358 1.0464 5.4972e+05 2023-04-08 00:40:31,352 INFO [main.py:643]
{rank 0/100} MD step = 342400 step time: 00:00:00.017972 Performance: 128.840 ns/day 0.186 hours/ns 7.456 steps/s 2023-04-08 00:40:48,094 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 342400 68480 50.164 -36133 5498 -41631 -41631 5.3462 2.8369 1.0462 5.499e+05 2023-04-08 00:40:49,988 INFO [main.py:643]
{rank 0/100} MD step = 342500 step time: 00:00:00.018017 Performance: 128.825 ns/day 0.186 hours/ns 7.455 steps/s 2023-04-08 00:40:58,573 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 342500 68500 50.7 -36106 5556.8 -41663 -41663 5.3498 2.8384 1.0474 5.5006e+05 2023-04-08 00:41:00,774 INFO [main.py:643]
{rank 0/100} MD step = 342600 step time: 00:00:00.018010 Performance: 128.833 ns/day 0.186 hours/ns 7.456 steps/s 2023-04-08 00:41:09,900 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 342600 68520 49.674 -36225 5444.3 -41669 -41669 5.355 2.8393 1.0477 5.5023e+05 2023-04-08 00:41:11,933 INFO [main.py:643]
{rank 0/100} MD step = 342700 step time: 00:00:00.017946 Performance: 128.839 ns/day 0.186 hours/ns 7.456 steps/s 2023-04-08 00:41:21,739 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 342700 68540 50.512 -36169 5536.2 -41705 -41705 5.3595 2.8379 1.0474 5.5038e+05 2023-04-08 00:41:23,578 INFO [main.py:643]
{rank 0/100} MD step = 342800 step time: 00:00:00.020001 Performance: 128.844 ns/day 0.186 hours/ns 7.456 steps/s 2023-04-08 00:41:29,569 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 342800 68560 49.224 -36321 5395.1 -41716 -41716 5.3638 2.8381 1.0479 5.5057e+05 2023-04-08 00:41:31,383 INFO [main.py:643]
{rank 0/100} MD step = 342900 step time: 00:00:00.017979 Performance: 128.860 ns/day 0.186 hours/ns 7.457 steps/s 2023-04-08 00:41:44,180 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 342900 68580 49.848 -36148 5463.4 -41612 -41612 5.3668 2.8362 1.047 5.5072e+05 2023-04-08 00:41:46,100 INFO [main.py:643]
{rank 0/100} MD step = 343000 step time: 00:00:00.017896 Performance: 128.856 ns/day 0.186 hours/ns 7.457 steps/s 2023-04-08 00:41:58,747 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 343000 68600 50.708 -36123 5557.7 -41681 -41681 5.3695 2.838 1.0472 5.5087e+05 2023-04-08 00:42:00,713 INFO [main.py:643]
{rank 0/100} MD step = 343100 step time: 00:00:00.018075 Performance: 128.853 ns/day 0.186 hours/ns 7.457 steps/s 2023-04-08 00:42:05,032 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 343100 68620 50.999 -36057 5589.6 -41646 -41646 5.3752 2.8387 1.0473 5.5102e+05 2023-04-08 00:42:06,905 INFO [main.py:643]
{rank 0/100} MD step = 343200 step time: 00:00:00.018056 Performance: 128.873 ns/day 0.186 hours/ns 7.458 steps/s 2023-04-08 00:42:12,120 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 343200 68640 49.413 -36299 5415.7 -41714 -41714 5.381 2.8401 1.0471 5.5117e+05 2023-04-08 00:42:14,429 INFO [main.py:643]
{rank 0/100} MD step = 343300 step time: 00:00:00.018025 Performance: 128.889 ns/day 0.186 hours/ns 7.459 steps/s 2023-04-08 00:42:23,356 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 343300 68660 49.252 -36267 5398.1 -41665 -41665 5.3838 2.842 1.0453 5.5134e+05 2023-04-08 00:42:25,177 INFO [main.py:643]
{rank 0/100} MD step = 343400 step time: 00:00:00.018062 Performance: 128.897 ns/day 0.186 hours/ns 7.459 steps/s 2023-04-08 00:42:29,328 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 343400 68680 50.615 -36153 5547.5 -41701 -41701 5.3909 2.8421 1.0447 5.5149e+05 2023-04-08 00:42:31,222 INFO [main.py:643]
{rank 0/100} MD step = 343500 step time: 00:00:00.017977 Performance: 128.917 ns/day 0.186 hours/ns 7.460 steps/s 2023-04-08 00:42:35,351 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 343500 68700 49.39 -36325 5413.2 -41738 -41738 5.3954 2.8432 1.0437 5.5166e+05 2023-04-08 00:42:37,232 INFO [main.py:643]
{rank 0/100} MD step = 343600 step time: 00:00:00.018049 Performance: 128.938 ns/day 0.186 hours/ns 7.462 steps/s 2023-04-08 00:42:45,907 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 343600 68720 50.206 -36223 5502.6 -41726 -41726 5.4009 2.8432 1.0432 5.5184e+05 2023-04-08 00:42:48,502 INFO [main.py:643]
{rank 0/100} MD step = 343700 step time: 00:00:00.017994 Performance: 128.944 ns/day 0.186 hours/ns 7.462 steps/s 2023-04-08 00:42:57,238 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 343700 68740 49.529 -36264 5428.5 -41693 -41693 5.4063 2.8436 1.0444 5.52e+05 2023-04-08 00:42:59,123 INFO [main.py:643]
{rank 0/100} MD step = 343800 step time: 00:00:00.017968 Performance: 128.952 ns/day 0.186 hours/ns 7.462 steps/s 2023-04-08 00:43:03,388 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 343800 68760 49.469 -36295 5421.9 -41717 -41717 5.41 2.8442 1.0462 5.5218e+05 2023-04-08 00:43:05,188 INFO [main.py:643]
{rank 0/100} MD step = 343900 step time: 00:00:00.017818 Performance: 128.972 ns/day 0.186 hours/ns 7.464 steps/s 2023-04-08 00:43:06,609 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 343900 68780 49.177 -36359 5389.9 -41749 -41749 5.4125 2.8461 1.0459 5.5234e+05 2023-04-08 00:43:11,469 INFO [main.py:643]
{rank 0/100} MD step = 344000 step time: 00:00:00.018235 Performance: 128.992 ns/day 0.186 hours/ns 7.465 steps/s 2023-04-08 00:43:19,998 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 344000 68800 50.199 -36256 5501.9 -41758 -41758 5.4172 2.8454 1.0474 5.525e+05 2023-04-08 00:43:21,898 INFO [main.py:643]
{rank 0/100} MD step = 344100 step time: 00:00:00.018052 Performance: 129.001 ns/day 0.186 hours/ns 7.465 steps/s 2023-04-08 00:43:33,870 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 344100 68820 49.563 -36293 5432.2 -41725 -41725 5.4219 2.8457 1.0486 5.5264e+05 2023-04-08 00:43:35,777 INFO [main.py:643]
{rank 0/100} MD step = 344200 step time: 00:00:00.017894 Performance: 128.999 ns/day 0.186 hours/ns 7.465 steps/s 2023-04-08 00:44:01,054 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 344200 68840 49.672 -36256 5444.1 -41700 -41700 5.4264 2.8456 1.0484 5.5282e+05 2023-04-08 00:44:02,881 INFO [main.py:643]
{rank 0/100} MD step = 344300 step time: 00:00:00.017959 Performance: 128.961 ns/day 0.186 hours/ns 7.463 steps/s 2023-04-08 00:44:08,015 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 344300 68860 49.397 -36228 5414 -41642 -41642 5.4315 2.8472 1.0482 5.5296e+05 2023-04-08 00:44:09,981 INFO [main.py:643]
{rank 0/100} MD step = 344400 step time: 00:00:00.018365 Performance: 128.978 ns/day 0.186 hours/ns 7.464 steps/s 2023-04-08 00:44:22,544 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 344400 68880 49.64 -36256 5440.6 -41697 -41697 5.4376 2.8464 1.0493 5.531e+05 2023-04-08 00:44:24,371 INFO [main.py:643]
{rank 0/100} MD step = 344500 step time: 00:00:00.017976 Performance: 128.976 ns/day 0.186 hours/ns 7.464 steps/s 2023-04-08 00:44:29,207 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 344500 68900 50.159 -36099 5497.5 -41596 -41596 5.4413 2.8471 1.0494 5.5327e+05 2023-04-08 00:44:31,122 INFO [main.py:643]
{rank 0/100} MD step = 344600 step time: 00:00:00.018016 Performance: 128.994 ns/day 0.186 hours/ns 7.465 steps/s 2023-04-08 00:44:52,633 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 344600 68920 49.599 -36228 5436.1 -41664 -41664 5.4468 2.847 1.0494 5.5344e+05 2023-04-08 00:44:54,471 INFO [main.py:643]
{rank 0/100} MD step = 344700 step time: 00:00:00.017977 Performance: 128.966 ns/day 0.186 hours/ns 7.463 steps/s 2023-04-08 00:44:55,662 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 344700 68940 50.432 -36185 5527.4 -41712 -41712 5.4475 2.8476 1.0505 5.5361e+05 2023-04-08 00:44:57,991 INFO [main.py:643]
{rank 0/100} MD step = 344800 step time: 00:00:00.017874 Performance: 128.994 ns/day 0.186 hours/ns 7.465 steps/s 2023-04-08 00:45:06,139 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 344800 68960 49.813 -36244 5459.6 -41703 -41703 5.4527 2.8487 1.0506 5.5376e+05 2023-04-08 00:45:07,999 INFO [main.py:643]
{rank 0/100} MD step = 344900 step time: 00:00:00.018639 Performance: 129.004 ns/day 0.186 hours/ns 7.465 steps/s 2023-04-08 00:45:24,764 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 344900 68980 49.953 -36244 5474.9 -41719 -41719 5.4548 2.8481 1.0512 5.5394e+05 2023-04-08 00:45:26,674 INFO [main.py:643]
{rank 0/100} MD step = 345000 step time: 00:00:00.017949 Performance: 128.989 ns/day 0.186 hours/ns 7.465 steps/s 2023-04-08 00:45:39,858 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 345000 69000 49.679 -36209 5444.9 -41654 -41654 5.4594 2.8472 1.0519 5.5411e+05 2023-04-08 00:45:41,779 INFO [main.py:643]
{rank 0/100} MD step = 345100 step time: 00:00:00.017925 Performance: 128.984 ns/day 0.186 hours/ns 7.464 steps/s 2023-04-08 00:45:43,009 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 345100 69020 50.762 -36000 5563.6 -41564 -41564 5.4617 2.8479 1.0522 5.5428e+05 2023-04-08 00:45:44,812 INFO [main.py:643]
{rank 0/100} MD step = 345200 step time: 00:00:00.018148 Performance: 129.013 ns/day 0.186 hours/ns 7.466 steps/s 2023-04-08 00:46:18,469 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 345200 69040 49.399 -36269 5414.2 -41683 -41683 5.4691 2.8488 1.0522 5.5443e+05 2023-04-08 00:46:20,472 INFO [main.py:643]
{rank 0/100} MD step = 345300 step time: 00:00:00.018123 Performance: 128.951 ns/day 0.186 hours/ns 7.462 steps/s 2023-04-08 00:46:37,896 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 345300 69060 49.497 -36257 5424.9 -41682 -41682 5.4725 2.8514 1.0532 5.5459e+05 2023-04-08 00:46:43,740 INFO [main.py:643]
{rank 0/100} MD step = 345400 step time: 00:00:00.018035 Performance: 128.923 ns/day 0.186 hours/ns 7.461 steps/s 2023-04-08 00:46:57,460 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 345400 69080 49.79 -36252 5457 -41709 -41709 5.4793 2.8519 1.0521 5.5476e+05 2023-04-08 00:46:59,508 INFO [main.py:643]
{rank 0/100} MD step = 345500 step time: 00:00:00.018045 Performance: 128.917 ns/day 0.186 hours/ns 7.460 steps/s 2023-04-08 00:47:16,488 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 345500 69100 49.667 -36230 5443.6 -41674 -41674 5.4845 2.8533 1.0516 5.5494e+05 2023-04-08 00:47:18,330 INFO [main.py:643]
{rank 0/100} MD step = 345600 step time: 00:00:00.017815 Performance: 128.902 ns/day 0.186 hours/ns 7.460 steps/s 2023-04-08 00:47:31,403 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 345600 69120 50.283 -36176 5511 -41687 -41687 5.4902 2.8547 1.0513 5.551e+05 2023-04-08 00:47:33,257 INFO [main.py:643]
{rank 0/100} MD step = 345700 step time: 00:00:00.018064 Performance: 128.897 ns/day 0.186 hours/ns 7.459 steps/s 2023-04-08 00:47:50,764 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 345700 69140 50.132 -36139 5494.6 -41634 -41634 5.4959 2.8569 1.0514 5.5528e+05 2023-04-08 00:47:52,622 INFO [main.py:643]
{rank 0/100} MD step = 345800 step time: 00:00:00.018081 Performance: 128.881 ns/day 0.186 hours/ns 7.458 steps/s 2023-04-08 00:48:09,971 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 345800 69160 50.176 -36194 5499.3 -41694 -41694 5.5001 2.8587 1.0492 5.5545e+05 2023-04-08 00:48:11,804 INFO [main.py:643]
{rank 0/100} MD step = 345900 step time: 00:00:00.017936 Performance: 128.865 ns/day 0.186 hours/ns 7.457 steps/s 2023-04-08 00:48:24,610 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 345900 69180 49.726 -36308 5450 -41758 -41758 5.5058 2.8597 1.0511 5.5561e+05 2023-04-08 00:48:26,502 INFO [main.py:643]
{rank 0/100} MD step = 346000 step time: 00:00:00.017884 Performance: 128.861 ns/day 0.186 hours/ns 7.457 steps/s 2023-04-08 00:48:38,072 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 346000 69200 49.643 -36280 5440.9 -41721 -41721 5.5111 2.8605 1.0505 5.5577e+05 2023-04-08 00:48:40,466 INFO [main.py:643]
{rank 0/100} MD step = 346100 step time: 00:00:00.018112 Performance: 128.860 ns/day 0.186 hours/ns 7.457 steps/s 2023-04-08 00:48:53,704 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 346100 69220 49.103 -36337 5381.8 -41719 -41719 5.513 2.8621 1.0512 5.5593e+05 2023-04-08 00:48:55,587 INFO [main.py:643]
{rank 0/100} MD step = 346200 step time: 00:00:00.018104 Performance: 128.855 ns/day 0.186 hours/ns 7.457 steps/s 2023-04-08 00:48:56,690 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 346200 69240 50.117 -36209 5492.9 -41702 -41702 5.5166 2.8618 1.0516 5.5607e+05 2023-04-08 00:49:05,501 INFO [main.py:643]
{rank 0/100} MD step = 346300 step time: 00:00:00.017938 Performance: 128.865 ns/day 0.186 hours/ns 7.457 steps/s 2023-04-08 00:49:18,894 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 346300 69260 50.102 -36063 5491.3 -41555 -41555 5.5185 2.8628 1.0523 5.5627e+05 2023-04-08 00:49:20,741 INFO [main.py:643]
{rank 0/100} MD step = 346400 step time: 00:00:00.017960 Performance: 128.860 ns/day 0.186 hours/ns 7.457 steps/s 2023-04-08 00:49:29,981 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 346400 69280 50.357 -36140 5519.1 -41659 -41659 5.5216 2.8636 1.0533 5.5643e+05 2023-04-08 00:49:31,771 INFO [main.py:643]
{rank 0/100} MD step = 346500 step time: 00:00:00.018008 Performance: 128.866 ns/day 0.186 hours/ns 7.458 steps/s 2023-04-08 00:49:57,613 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 346500 69300 49.679 -36251 5444.9 -41695 -41695 5.5245 2.8633 1.0528 5.5657e+05 2023-04-08 00:49:59,579 INFO [main.py:643]
{rank 0/100} MD step = 346600 step time: 00:00:00.017938 Performance: 128.826 ns/day 0.186 hours/ns 7.455 steps/s 2023-04-08 00:50:21,176 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 346600 69320 49.701 -36093 5447.3 -41541 -41541 5.5286 2.8629 1.0511 5.5671e+05 2023-04-08 00:50:27,241 INFO [main.py:643]
{rank 0/100} MD step = 346700 step time: 00:00:00.018009 Performance: 128.787 ns/day 0.186 hours/ns 7.453 steps/s 2023-04-08 00:50:40,335 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 346700 69340 50.027 -36208 5483 -41690 -41690 5.533 2.864 1.0513 5.5688e+05 2023-04-08 00:50:42,315 INFO [main.py:643]
{rank 0/100} MD step = 346800 step time: 00:00:00.017992 Performance: 128.782 ns/day 0.186 hours/ns 7.453 steps/s 2023-04-08 00:50:55,592 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 346800 69360 49.951 -36271 5474.6 -41745 -41745 5.5375 2.8668 1.0514 5.5705e+05 2023-04-08 00:50:57,422 INFO [main.py:643]
{rank 0/100} MD step = 346900 step time: 00:00:00.017981 Performance: 128.778 ns/day 0.186 hours/ns 7.452 steps/s 2023-04-08 00:51:06,134 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 346900 69380 49.093 -36203 5380.7 -41584 -41584 5.543 2.868 1.0505 5.5725e+05 2023-04-08 00:51:08,401 INFO [main.py:643]
{rank 0/100} MD step = 347000 step time: 00:00:00.018843 Performance: 128.784 ns/day 0.186 hours/ns 7.453 steps/s 2023-04-08 00:51:21,055 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 347000 69400 49.706 -36194 5447.8 -41642 -41642 5.5465 2.8669 1.0494 5.5737e+05 2023-04-08 00:51:23,045 INFO [main.py:643]
{rank 0/100} MD step = 347100 step time: 00:00:00.018148 Performance: 128.781 ns/day 0.186 hours/ns 7.453 steps/s 2023-04-08 00:51:32,702 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 347100 69420 50.362 -36226 5519.8 -41745 -41745 5.5466 2.868 1.048 5.5751e+05 2023-04-08 00:51:34,516 INFO [main.py:643]
{rank 0/100} MD step = 347200 step time: 00:00:00.018157 Performance: 128.786 ns/day 0.186 hours/ns 7.453 steps/s 2023-04-08 00:51:55,571 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 347200 69440 49.086 -36341 5379.9 -41720 -41720 5.5534 2.8673 1.049 5.5769e+05 2023-04-08 00:51:57,660 INFO [main.py:643]
{rank 0/100} MD step = 347300 step time: 00:00:00.017897 Performance: 128.759 ns/day 0.186 hours/ns 7.451 steps/s 2023-04-08 00:52:15,143 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 347300 69460 49.757 -36252 5453.5 -41705 -41705 5.5579 2.8677 1.0483 5.5787e+05 2023-04-08 00:52:17,061 INFO [main.py:643]
{rank 0/100} MD step = 347400 step time: 00:00:00.035823 Performance: 128.743 ns/day 0.186 hours/ns 7.450 steps/s 2023-04-08 00:52:21,739 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 347400 69480 49.476 -36216 5422.6 -41638 -41638 5.5619 2.8687 1.0497 5.5803e+05 2023-04-08 00:52:27,379 INFO [main.py:643]
{rank 0/100} MD step = 347500 step time: 00:00:00.018058 Performance: 128.752 ns/day 0.186 hours/ns 7.451 steps/s 2023-04-08 00:52:35,093 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 347500 69500 50.63 -36139 5549.1 -41689 -41689 5.5642 2.8698 1.0495 5.5819e+05 2023-04-08 00:52:37,058 INFO [main.py:643]
{rank 0/100} MD step = 347600 step time: 00:00:00.018052 Performance: 128.762 ns/day 0.186 hours/ns 7.451 steps/s 2023-04-08 00:52:53,846 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 347600 69520 50.135 -36110 5494.9 -41605 -41605 5.5654 2.8702 1.0501 5.5835e+05 2023-04-08 00:52:55,717 INFO [main.py:643]
{rank 0/100} MD step = 347700 step time: 00:00:00.018033 Performance: 128.747 ns/day 0.186 hours/ns 7.451 steps/s 2023-04-08 00:53:23,747 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 347700 69540 50.08 -36251 5488.8 -41740 -41740 5.5672 2.8719 1.0484 5.5849e+05 2023-04-08 00:53:27,407 INFO [main.py:643]
{rank 0/100} MD step = 347800 step time: 00:00:00.017946 Performance: 128.697 ns/day 0.186 hours/ns 7.448 steps/s 2023-04-08 00:53:36,573 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 347800 69560 50.158 -36084 5497.4 -41581 -41581 5.5683 2.8724 1.0486 5.5865e+05 2023-04-08 00:53:47,006 INFO [main.py:643]
{rank 0/100} MD step = 347900 step time: 00:00:00.017900 Performance: 128.680 ns/day 0.187 hours/ns 7.447 steps/s 2023-04-08 00:53:51,969 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 347900 69580 49.636 -36202 5440.2 -41642 -41642 5.57 2.8738 1.0487 5.5881e+05 2023-04-08 00:53:53,841 INFO [main.py:643]
{rank 0/100} MD step = 348000 step time: 00:00:00.018306 Performance: 128.698 ns/day 0.186 hours/ns 7.448 steps/s 2023-04-08 00:54:15,089 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 348000 69600 49.344 -36254 5408.2 -41663 -41663 5.5742 2.8741 1.0468 5.5897e+05 2023-04-08 00:54:17,095 INFO [main.py:643]
{rank 0/100} MD step = 348100 step time: 00:00:00.018078 Performance: 128.671 ns/day 0.187 hours/ns 7.446 steps/s 2023-04-08 00:54:38,750 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 348100 69620 50.23 -36145 5505.3 -41650 -41650 5.5773 2.8762 1.0466 5.5913e+05 2023-04-08 00:54:40,612 INFO [main.py:643]
{rank 0/100} MD step = 348200 step time: 00:00:00.020125 Performance: 128.643 ns/day 0.187 hours/ns 7.445 steps/s 2023-04-08 00:54:58,763 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 348200 69640 48.959 -36229 5366 -41595 -41595 5.5809 2.8767 1.0457 5.5929e+05 2023-04-08 00:55:00,636 INFO [main.py:643]
{rank 0/100} MD step = 348300 step time: 00:00:00.018044 Performance: 128.625 ns/day 0.187 hours/ns 7.444 steps/s 2023-04-08 00:55:17,662 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 348300 69660 50.449 -36061 5529.3 -41591 -41591 5.5862 2.8774 1.0461 5.5945e+05 2023-04-08 00:55:19,692 INFO [main.py:643]
{rank 0/100} MD step = 348400 step time: 00:00:00.017976 Performance: 128.610 ns/day 0.187 hours/ns 7.443 steps/s 2023-04-08 00:55:41,154 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 348400 69680 50.384 -36219 5522.1 -41741 -41741 5.5908 2.8764 1.0467 5.5958e+05 2023-04-08 00:55:42,994 INFO [main.py:643]
{rank 0/100} MD step = 348500 step time: 00:00:00.017779 Performance: 128.583 ns/day 0.187 hours/ns 7.441 steps/s 2023-04-08 00:55:48,350 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 348500 69700 50.368 -36230 5520.4 -41751 -41751 5.5948 2.8759 1.0477 5.5972e+05 2023-04-08 00:55:50,296 INFO [main.py:643]
{rank 0/100} MD step = 348600 step time: 00:00:00.018130 Performance: 128.600 ns/day 0.187 hours/ns 7.442 steps/s 2023-04-08 00:55:58,326 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 348600 69720 49.912 -36301 5470.4 -41771 -41771 5.5992 2.8757 1.0474 5.5992e+05 2023-04-08 00:56:00,128 INFO [main.py:643]
{rank 0/100} MD step = 348700 step time: 00:00:00.017994 Performance: 128.609 ns/day 0.187 hours/ns 7.443 steps/s 2023-04-08 00:56:16,987 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 348700 69740 50.599 -36320 5545.8 -41866 -41866 5.603 2.8759 1.0478 5.6006e+05 2023-04-08 00:56:19,154 INFO [main.py:643]
{rank 0/100} MD step = 348800 step time: 00:00:00.018128 Performance: 128.594 ns/day 0.187 hours/ns 7.442 steps/s 2023-04-08 00:56:32,637 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 348800 69760 50.415 -36158 5525.6 -41684 -41684 5.6066 2.8775 1.0485 5.6025e+05 2023-04-08 00:56:34,622 INFO [main.py:643]
{rank 0/100} MD step = 348900 step time: 00:00:00.017959 Performance: 128.589 ns/day 0.187 hours/ns 7.441 steps/s 2023-04-08 00:56:43,273 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 348900 69780 50.188 -36228 5500.6 -41729 -41729 5.6141 2.8795 1.0486 5.6041e+05 2023-04-08 00:56:45,217 INFO [main.py:643]
{rank 0/100} MD step = 349000 step time: 00:00:00.017854 Performance: 128.596 ns/day 0.187 hours/ns 7.442 steps/s 2023-04-08 00:56:58,330 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 349000 69800 50.676 -36036 5554.1 -41590 -41590 5.6192 2.8794 1.0501 5.6055e+05 2023-04-08 00:57:04,344 INFO [main.py:643]
{rank 0/100} MD step = 349100 step time: 00:00:00.018026 Performance: 128.581 ns/day 0.187 hours/ns 7.441 steps/s 2023-04-08 00:57:11,471 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 349100 69820 49.832 -36237 5461.7 -41699 -41699 5.6249 2.8804 1.0502 5.6069e+05 2023-04-08 00:57:13,308 INFO [main.py:643]
{rank 0/100} MD step = 349200 step time: 00:00:00.017898 Performance: 128.593 ns/day 0.187 hours/ns 7.442 steps/s 2023-04-08 00:57:43,614 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 349200 69840 50.585 -36036 5544.2 -41580 -41580 5.6311 2.8822 1.0513 5.6091e+05 2023-04-08 00:57:45,608 INFO [main.py:643]
{rank 0/100} MD step = 349300 step time: 00:00:00.018120 Performance: 128.541 ns/day 0.187 hours/ns 7.439 steps/s 2023-04-08 00:57:54,810 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 349300 69860 49.549 -36420 5430.6 -41851 -41851 5.6357 2.8833 1.0502 5.6099e+05 2023-04-08 00:57:56,657 INFO [main.py:643]
{rank 0/100} MD step = 349400 step time: 00:00:00.018401 Performance: 128.548 ns/day 0.187 hours/ns 7.439 steps/s 2023-04-08 00:58:23,036 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 349400 69880 50.544 -36119 5539.7 -41658 -41658 5.6406 2.886 1.0487 5.612e+05 2023-04-08 00:58:24,848 INFO [main.py:643]
{rank 0/100} MD step = 349500 step time: 00:00:00.018065 Performance: 128.508 ns/day 0.187 hours/ns 7.437 steps/s 2023-04-08 00:58:26,121 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 349500 69900 50.232 -36107 5505.5 -41612 -41612 5.6455 2.8873 1.0469 5.6134e+05 2023-04-08 00:58:28,022 INFO [main.py:643]
{rank 0/100} MD step = 349600 step time: 00:00:00.017866 Performance: 128.536 ns/day 0.187 hours/ns 7.438 steps/s 2023-04-08 00:58:29,193 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 349600 69920 50.292 -36217 5512 -41729 -41729 5.6492 2.8871 1.0473 5.6147e+05 2023-04-08 00:58:31,004 INFO [main.py:643]
{rank 0/100} MD step = 349700 step time: 00:00:00.017983 Performance: 128.564 ns/day 0.187 hours/ns 7.440 steps/s 2023-04-08 00:58:43,847 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 349700 69940 50.036 -36196 5484.1 -41680 -41680 5.6513 2.8877 1.0462 5.6166e+05 2023-04-08 00:58:45,671 INFO [main.py:643]
{rank 0/100} MD step = 349800 step time: 00:00:00.018013 Performance: 128.561 ns/day 0.187 hours/ns 7.440 steps/s 2023-04-08 00:58:59,416 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 349800 69960 49.746 -36214 5452.2 -41666 -41666 5.654 2.8887 1.0457 5.6183e+05 2023-04-08 00:59:01,335 INFO [main.py:643]
{rank 0/100} MD step = 349900 step time: 00:00:00.017957 Performance: 128.555 ns/day 0.187 hours/ns 7.440 steps/s 2023-04-08 00:59:14,604 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 349900 69980 50.116 -36256 5492.8 -41749 -41749 5.6568 2.888 1.0456 5.6196e+05 2023-04-08 00:59:16,406 INFO [main.py:643]
{rank 0/100} MD step = 350000 step time: 00:00:00.017815 Performance: 128.550 ns/day 0.187 hours/ns 7.439 steps/s 2023-04-08 00:59:28,796 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 350000 70000 49.891 -36269 5468.1 -41737 -41737 5.6617 2.8889 1.0464 5.6216e+05 2023-04-08 00:59:30,696 INFO [main.py:643]
{rank 0/100} MD step = 350100 step time: 00:00:00.018072 Performance: 128.548 ns/day 0.187 hours/ns 7.439 steps/s 2023-04-08 00:59:52,344 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 350100 70020 49.675 -36206 5444.4 -41650 -41650 5.6667 2.8896 1.0459 5.6235e+05 2023-04-08 00:59:54,159 INFO [main.py:643]
{rank 0/100} MD step = 350200 step time: 00:00:00.017998 Performance: 128.521 ns/day 0.187 hours/ns 7.438 steps/s 2023-04-08 01:00:03,708 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 350200 70040 49.301 -36248 5403.5 -41651 -41651 5.6711 2.8919 1.0472 5.6249e+05 2023-04-08 01:00:05,597 INFO [main.py:643]
{rank 0/100} MD step = 350300 step time: 00:00:00.017999 Performance: 128.526 ns/day 0.187 hours/ns 7.438 steps/s 2023-04-08 01:00:26,768 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 350300 70060 49.899 -36291 5469 -41760 -41760 5.6742 2.8913 1.0471 5.6263e+05 2023-04-08 01:00:28,688 INFO [main.py:643]
{rank 0/100} MD step = 350400 step time: 00:00:00.018035 Performance: 128.500 ns/day 0.187 hours/ns 7.436 steps/s 2023-04-08 01:00:42,359 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 350400 70080 49.241 -36248 5396.9 -41645 -41645 5.6793 2.8916 1.0473 5.6279e+05 2023-04-08 01:00:47,679 INFO [main.py:643]
{rank 0/100} MD step = 350500 step time: 00:00:00.018325 Performance: 128.485 ns/day 0.187 hours/ns 7.435 steps/s 2023-04-08 01:00:59,094 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 350500 70100 50.455 -36185 5530 -41715 -41715 5.6827 2.8932 1.0468 5.6296e+05 2023-04-08 01:01:00,979 INFO [main.py:643]
{rank 0/100} MD step = 350600 step time: 00:00:00.017933 Performance: 128.485 ns/day 0.187 hours/ns 7.435 steps/s 2023-04-08 01:01:06,238 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 350600 70120 49.848 -36211 5463.4 -41675 -41675 5.6876 2.8945 1.046 5.6312e+05 2023-04-08 01:01:08,165 INFO [main.py:643]
{rank 0/100} MD step = 350700 step time: 00:00:00.018057 Performance: 128.502 ns/day 0.187 hours/ns 7.436 steps/s 2023-04-08 01:01:29,425 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 350700 70140 49.676 -36231 5444.5 -41675 -41675 5.6932 2.895 1.0434 5.6327e+05 2023-04-08 01:01:31,308 INFO [main.py:643]
{rank 0/100} MD step = 350800 step time: 00:00:00.017995 Performance: 128.476 ns/day 0.187 hours/ns 7.435 steps/s 2023-04-08 01:01:52,719 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 350800 70160 50.459 -36213 5530.4 -41744 -41744 5.6976 2.8948 1.0432 5.6344e+05 2023-04-08 01:01:54,560 INFO [main.py:643]
{rank 0/100} MD step = 350900 step time: 00:00:00.018125 Performance: 128.449 ns/day 0.187 hours/ns 7.433 steps/s 2023-04-08 01:02:11,878 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 350900 70180 49.41 -36235 5415.4 -41650 -41650 5.7027 2.897 1.0425 5.6363e+05 2023-04-08 01:02:13,794 INFO [main.py:643]
{rank 0/100} MD step = 351000 step time: 00:00:00.018058 Performance: 128.433 ns/day 0.187 hours/ns 7.432 steps/s 2023-04-08 01:02:31,243 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 351000 70200 49.638 -36242 5440.4 -41682 -41682 5.7076 2.8984 1.042 5.638e+05 2023-04-08 01:02:33,090 INFO [main.py:643]
{rank 0/100} MD step = 351100 step time: 00:00:00.017771 Performance: 128.418 ns/day 0.187 hours/ns 7.432 steps/s 2023-04-08 01:02:38,396 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 351100 70220 50.486 -36169 5533.3 -41703 -41703 5.7108 2.9002 1.043 5.6396e+05 2023-04-08 01:02:40,269 INFO [main.py:643]
{rank 0/100} MD step = 351200 step time: 00:00:00.018233 Performance: 128.435 ns/day 0.187 hours/ns 7.433 steps/s 2023-04-08 01:03:05,696 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 351200 70240 50.235 -36194 5505.8 -41700 -41700 5.7122 2.9025 1.0422 5.6414e+05 2023-04-08 01:03:07,631 INFO [main.py:643]
{rank 0/100} MD step = 351300 step time: 00:00:00.018351 Performance: 128.397 ns/day 0.187 hours/ns 7.430 steps/s 2023-04-08 01:03:29,409 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 351300 70260 49.766 -36253 5454.4 -41708 -41708 5.7172 2.904 1.0435 5.6429e+05 2023-04-08 01:03:31,420 INFO [main.py:643]
{rank 0/100} MD step = 351400 step time: 00:00:00.018359 Performance: 128.369 ns/day 0.187 hours/ns 7.429 steps/s 2023-04-08 01:03:49,148 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 351400 70280 49.847 -36120 5463.3 -41583 -41583 5.7202 2.9051 1.0432 5.6444e+05 2023-04-08 01:03:51,167 INFO [main.py:643]
{rank 0/100} MD step = 351500 step time: 00:00:00.017975 Performance: 128.352 ns/day 0.187 hours/ns 7.428 steps/s 2023-04-08 01:04:06,322 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 351500 70300 50.177 -36113 5499.5 -41612 -41612 5.7259 2.9066 1.043 5.6462e+05 2023-04-08 01:04:08,195 INFO [main.py:643]
{rank 0/100} MD step = 351600 step time: 00:00:00.018020 Performance: 128.342 ns/day 0.187 hours/ns 7.427 steps/s 2023-04-08 01:04:25,117 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 351600 70320 50.182 -36230 5500 -41729 -41729 5.7308 2.907 1.0445 5.6472e+05 2023-04-08 01:04:27,054 INFO [main.py:643]
{rank 0/100} MD step = 351700 step time: 00:00:00.017970 Performance: 128.327 ns/day 0.187 hours/ns 7.426 steps/s 2023-04-08 01:04:40,776 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 351700 70340 50.707 -36160 5557.6 -41718 -41718 5.7338 2.907 1.0453 5.6486e+05 2023-04-08 01:04:42,608 INFO [main.py:643]
{rank 0/100} MD step = 351800 step time: 00:00:00.017990 Performance: 128.322 ns/day 0.187 hours/ns 7.426 steps/s 2023-04-08 01:04:59,547 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 351800 70360 49.679 -36401 5444.9 -41846 -41846 5.739 2.9071 1.0469 5.6501e+05 2023-04-08 01:05:01,451 INFO [main.py:643]
{rank 0/100} MD step = 351900 step time: 00:00:00.018045 Performance: 128.307 ns/day 0.187 hours/ns 7.425 steps/s 2023-04-08 01:05:23,465 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 351900 70380 49.427 -36271 5417.3 -41689 -41689 5.7423 2.9075 1.0471 5.6525e+05 2023-04-08 01:05:25,336 INFO [main.py:643]
{rank 0/100} MD step = 352000 step time: 00:00:00.018080 Performance: 128.279 ns/day 0.187 hours/ns 7.424 steps/s 2023-04-08 01:05:30,274 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 352000 70400 50.218 -36150 5504 -41654 -41654 5.7462 2.9072 1.0469 5.6541e+05 2023-04-08 01:05:35,405 INFO [main.py:643]
{rank 0/100} MD step = 352100 step time: 00:00:00.017990 Performance: 128.288 ns/day 0.187 hours/ns 7.424 steps/s 2023-04-08 01:05:59,443 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 352100 70420 49.763 -36210 5454 -41664 -41664 5.7517 2.9108 1.0466 5.6557e+05 2023-04-08 01:06:05,472 INFO [main.py:643]
{rank 0/100} MD step = 352200 step time: 00:00:00.018088 Performance: 128.243 ns/day 0.187 hours/ns 7.421 steps/s 2023-04-08 01:06:38,371 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 352200 70440 49.851 -36137 5463.7 -41601 -41601 5.757 2.9119 1.0472 5.657e+05 2023-04-08 01:06:40,277 INFO [main.py:643]
{rank 0/100} MD step = 352300 step time: 00:00:00.017969 Performance: 128.186 ns/day 0.187 hours/ns 7.418 steps/s 2023-04-08 01:06:57,642 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 352300 70460 49.944 -36253 5473.9 -41727 -41727 5.7613 2.9133 1.0494 5.6586e+05 2023-04-08 01:06:59,596 INFO [main.py:643]
{rank 0/100} MD step = 352400 step time: 00:00:00.017864 Performance: 128.170 ns/day 0.187 hours/ns 7.417 steps/s 2023-04-08 01:07:12,827 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 352400 70480 50.015 -36209 5481.7 -41691 -41691 5.7666 2.9146 1.049 5.6604e+05 2023-04-08 01:07:18,508 INFO [main.py:643]
{rank 0/100} MD step = 352500 step time: 00:00:00.018449 Performance: 128.155 ns/day 0.187 hours/ns 7.416 steps/s 2023-04-08 01:07:23,737 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 352500 70500 49.598 -36284 5436 -41720 -41720 5.7702 2.9155 1.0485 5.6619e+05 2023-04-08 01:07:25,629 INFO [main.py:643]
{rank 0/100} MD step = 352600 step time: 00:00:00.018180 Performance: 128.173 ns/day 0.187 hours/ns 7.417 steps/s 2023-04-08 01:07:38,351 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 352600 70520 49.741 -36229 5451.7 -41681 -41681 5.7744 2.9163 1.0487 5.664e+05 2023-04-08 01:07:40,296 INFO [main.py:643]
{rank 0/100} MD step = 352700 step time: 00:00:00.017989 Performance: 128.169 ns/day 0.187 hours/ns 7.417 steps/s 2023-04-08 01:08:02,019 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 352700 70540 50.519 -36171 5537 -41708 -41708 5.776 2.9171 1.0503 5.6655e+05 2023-04-08 01:08:03,859 INFO [main.py:643]
{rank 0/100} MD step = 352800 step time: 00:00:00.017917 Performance: 128.142 ns/day 0.187 hours/ns 7.416 steps/s 2023-04-08 01:08:21,390 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 352800 70560 50.431 -36131 5527.3 -41658 -41658 5.7817 2.9182 1.0511 5.6673e+05 2023-04-08 01:08:23,340 INFO [main.py:643]
{rank 0/100} MD step = 352900 step time: 00:00:00.018300 Performance: 128.126 ns/day 0.187 hours/ns 7.415 steps/s 2023-04-08 01:08:32,125 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 352900 70580 51.053 -36185 5595.4 -41780 -41780 5.7865 2.9191 1.0513 5.6685e+05 2023-04-08 01:08:33,943 INFO [main.py:643]
{rank 0/100} MD step = 353000 step time: 00:00:00.018079 Performance: 128.134 ns/day 0.187 hours/ns 7.415 steps/s 2023-04-08 01:08:55,541 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 353000 70600 50.599 -36173 5545.7 -41718 -41718 5.7894 2.9208 1.0512 5.6702e+05 2023-04-08 01:08:57,616 INFO [main.py:643]
{rank 0/100} MD step = 353100 step time: 00:00:00.017991 Performance: 128.106 ns/day 0.187 hours/ns 7.414 steps/s 2023-04-08 01:09:07,175 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 353100 70620 50.005 -36243 5480.6 -41724 -41724 5.7931 2.9208 1.0512 5.6717e+05 2023-04-08 01:09:12,380 INFO [main.py:643]
{rank 0/100} MD step = 353200 step time: 00:00:00.018250 Performance: 128.103 ns/day 0.187 hours/ns 7.413 steps/s 2023-04-08 01:09:21,864 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 353200 70640 50.07 -36143 5487.7 -41631 -41631 5.7972 2.9224 1.0519 5.6736e+05 2023-04-08 01:09:23,726 INFO [main.py:643]
{rank 0/100} MD step = 353300 step time: 00:00:00.017773 Performance: 128.109 ns/day 0.187 hours/ns 7.414 steps/s 2023-04-08 01:09:32,791 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 353300 70660 50.111 -36213 5492.3 -41705 -41705 5.8 2.9245 1.0515 5.6752e+05 2023-04-08 01:09:34,682 INFO [main.py:643]
{rank 0/100} MD step = 353400 step time: 00:00:00.018012 Performance: 128.116 ns/day 0.187 hours/ns 7.414 steps/s 2023-04-08 01:09:38,889 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 353400 70680 50.178 -36090 5499.6 -41589 -41589 5.8027 2.924 1.0509 5.6769e+05 2023-04-08 01:09:40,728 INFO [main.py:643]
{rank 0/100} MD step = 353500 step time: 00:00:00.017937 Performance: 128.136 ns/day 0.187 hours/ns 7.415 steps/s 2023-04-08 01:09:46,052 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 353500 70700 50.723 -36139 5559.3 -41698 -41698 5.8046 2.9257 1.0503 5.6784e+05 2023-04-08 01:09:47,887 INFO [main.py:643]
{rank 0/100} MD step = 353600 step time: 00:00:00.020886 Performance: 128.153 ns/day 0.187 hours/ns 7.416 steps/s 2023-04-08 01:10:04,356 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 353600 70720 49.963 -36275 5476.1 -41751 -41751 5.8071 2.9255 1.051 5.6797e+05 2023-04-08 01:10:06,195 INFO [main.py:643]
{rank 0/100} MD step = 353700 step time: 00:00:00.018093 Performance: 128.140 ns/day 0.187 hours/ns 7.415 steps/s 2023-04-08 01:10:06,961 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 353700 70740 50.594 -36193 5545.2 -41738 -41738 5.8106 2.9275 1.0507 5.6815e+05 2023-04-08 01:10:09,242 INFO [main.py:643]
{rank 0/100} MD step = 353800 step time: 00:00:00.018059 Performance: 128.168 ns/day 0.187 hours/ns 7.417 steps/s 2023-04-08 01:10:26,647 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 353800 70760 49.456 -36232 5420.4 -41652 -41652 5.8142 2.9278 1.0504 5.6833e+05 2023-04-08 01:10:28,588 INFO [main.py:643]
{rank 0/100} MD step = 353900 step time: 00:00:00.018084 Performance: 128.152 ns/day 0.187 hours/ns 7.416 steps/s 2023-04-08 01:10:40,902 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 353900 70780 50.359 -36148 5519.4 -41667 -41667 5.8197 2.9299 1.052 5.685e+05 2023-04-08 01:10:42,843 INFO [main.py:643]
{rank 0/100} MD step = 354000 step time: 00:00:00.018022 Performance: 128.150 ns/day 0.187 hours/ns 7.416 steps/s 2023-04-08 01:10:52,357 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 354000 70800 49.727 -36286 5450.1 -41736 -41736 5.824 2.9308 1.053 5.6866e+05 2023-04-08 01:10:54,183 INFO [main.py:643]
{rank 0/100} MD step = 354100 step time: 00:00:00.018040 Performance: 128.156 ns/day 0.187 hours/ns 7.416 steps/s 2023-04-08 01:11:06,768 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 354100 70820 50 -36266 5480 -41746 -41746 5.8284 2.9316 1.0534 5.6882e+05 2023-04-08 01:11:12,794 INFO [main.py:643]
{rank 0/100} MD step = 354200 step time: 00:00:00.017801 Performance: 128.142 ns/day 0.187 hours/ns 7.416 steps/s 2023-04-08 01:11:26,253 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 354200 70840 49.474 -36305 5422.4 -41728 -41728 5.8306 2.9323 1.0551 5.6897e+05 2023-04-08 01:11:28,160 INFO [main.py:643]
{rank 0/100} MD step = 354300 step time: 00:00:00.017995 Performance: 128.137 ns/day 0.187 hours/ns 7.415 steps/s 2023-04-08 01:11:36,691 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 354300 70860 49.849 -36245 5463.5 -41709 -41709 5.8368 2.9329 1.0553 5.6914e+05 2023-04-08 01:11:55,879 INFO [main.py:643]
{rank 0/100} MD step = 354400 step time: 00:00:00.018123 Performance: 128.099 ns/day 0.187 hours/ns 7.413 steps/s 2023-04-08 01:12:09,027 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 354400 70880 50.19 -36168 5500.9 -41669 -41669 5.8423 2.9333 1.0541 5.6927e+05 2023-04-08 01:12:10,856 INFO [main.py:643]
{rank 0/100} MD step = 354500 step time: 00:00:00.017959 Performance: 128.095 ns/day 0.187 hours/ns 7.413 steps/s 2023-04-08 01:12:20,957 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 354500 70900 50.613 -36167 5547.3 -41714 -41714 5.8471 2.9341 1.0547 5.6942e+05 2023-04-08 01:12:22,830 INFO [main.py:643]
{rank 0/100} MD step = 354600 step time: 00:00:00.018051 Performance: 128.099 ns/day 0.187 hours/ns 7.413 steps/s 2023-04-08 01:12:28,886 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 354600 70920 49.344 -36366 5408.2 -41774 -41774 5.8501 2.9344 1.056 5.6958e+05 2023-04-08 01:12:30,802 INFO [main.py:643]
{rank 0/100} MD step = 354700 step time: 00:00:00.018064 Performance: 128.113 ns/day 0.187 hours/ns 7.414 steps/s 2023-04-08 01:12:34,771 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 354700 70940 50.644 -36069 5550.6 -41620 -41620 5.8549 2.9354 1.0555 5.6978e+05 2023-04-08 01:12:36,681 INFO [main.py:643]
{rank 0/100} MD step = 354800 step time: 00:00:00.017900 Performance: 128.134 ns/day 0.187 hours/ns 7.415 steps/s 2023-04-08 01:12:41,988 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 354800 70960 50.567 -36040 5542.2 -41582 -41582 5.8581 2.9374 1.0546 5.6995e+05 2023-04-08 01:12:43,832 INFO [main.py:643]
{rank 0/100} MD step = 354900 step time: 00:00:00.018001 Performance: 128.151 ns/day 0.187 hours/ns 7.416 steps/s 2023-04-08 01:13:00,358 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 354900 70980 49.408 -36206 5415.2 -41621 -41621 5.8624 2.9378 1.0539 5.7008e+05 2023-04-08 01:13:02,264 INFO [main.py:643]
{rank 0/100} MD step = 355000 step time: 00:00:00.019963 Performance: 128.138 ns/day 0.187 hours/ns 7.415 steps/s 2023-04-08 01:13:07,468 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 355000 71000 50.947 -36144 5583.8 -41728 -41728 5.8651 2.9374 1.0543 5.7025e+05 2023-04-08 01:13:12,868 INFO [main.py:643]
{rank 0/100} MD step = 355100 step time: 00:00:00.018020 Performance: 128.145 ns/day 0.187 hours/ns 7.416 steps/s 2023-04-08 01:13:26,235 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 355100 71020 49.289 -36239 5402.1 -41641 -41641 5.8693 2.9372 1.0523 5.7041e+05 2023-04-08 01:13:28,091 INFO [main.py:643]
{rank 0/100} MD step = 355200 step time: 00:00:00.018082 Performance: 128.141 ns/day 0.187 hours/ns 7.416 steps/s 2023-04-08 01:13:41,638 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 355200 71040 50.728 -36066 5559.9 -41626 -41626 5.8731 2.9378 1.0515 5.7058e+05 2023-04-08 01:13:43,564 INFO [main.py:643]
{rank 0/100} MD step = 355300 step time: 00:00:00.017982 Performance: 128.135 ns/day 0.187 hours/ns 7.415 steps/s 2023-04-08 01:13:48,615 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 355300 71060 50.177 -36271 5499.5 -41771 -41771 5.8781 2.9395 1.0521 5.7071e+05 2023-04-08 01:13:50,453 INFO [main.py:643]
{rank 0/100} MD step = 355400 step time: 00:00:00.017937 Performance: 128.153 ns/day 0.187 hours/ns 7.416 steps/s 2023-04-08 01:14:07,328 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 355400 71080 49.362 -36365 5410.1 -41775 -41775 5.8806 2.9413 1.0521 5.7091e+05 2023-04-08 01:14:09,306 INFO [main.py:643]
{rank 0/100} MD step = 355500 step time: 00:00:00.017950 Performance: 128.139 ns/day 0.187 hours/ns 7.415 steps/s 2023-04-08 01:14:18,053 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 355500 71100 50.088 -36219 5489.7 -41709 -41709 5.8836 2.9423 1.0522 5.7107e+05 2023-04-08 01:14:19,986 INFO [main.py:643]
{rank 0/100} MD step = 355600 step time: 00:00:00.018048 Performance: 128.146 ns/day 0.187 hours/ns 7.416 steps/s 2023-04-08 01:14:37,179 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 355600 71120 50.255 -36167 5508 -41675 -41675 5.8885 2.945 1.0529 5.7127e+05 2023-04-08 01:14:39,343 INFO [main.py:643]
{rank 0/100} MD step = 355700 step time: 00:00:00.017915 Performance: 128.130 ns/day 0.187 hours/ns 7.415 steps/s 2023-04-08 01:14:43,534 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 355700 71140 49.712 -36205 5448.5 -41654 -41654 5.8905 2.9459 1.0531 5.7144e+05 2023-04-08 01:14:45,497 INFO [main.py:643]
{rank 0/100} MD step = 355800 step time: 00:00:00.017998 Performance: 128.150 ns/day 0.187 hours/ns 7.416 steps/s 2023-04-08 01:14:58,570 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 355800 71160 49.673 -36325 5444.3 -41769 -41769 5.8949 2.9463 1.0546 5.7159e+05 2023-04-08 01:15:00,480 INFO [main.py:643]
{rank 0/100} MD step = 355900 step time: 00:00:00.017956 Performance: 128.146 ns/day 0.187 hours/ns 7.416 steps/s 2023-04-08 01:15:05,868 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 355900 71180 50.322 -36167 5515.4 -41682 -41682 5.8976 2.9478 1.0543 5.7174e+05 2023-04-08 01:15:07,675 INFO [main.py:643]
{rank 0/100} MD step = 356000 step time: 00:00:00.018052 Performance: 128.163 ns/day 0.187 hours/ns 7.417 steps/s 2023-04-08 01:15:11,719 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 356000 71200 49.939 -36190 5473.3 -41663 -41663 5.9003 2.9484 1.0531 5.7195e+05 2023-04-08 01:15:13,584 INFO [main.py:643]
{rank 0/100} MD step = 356100 step time: 00:00:00.017896 Performance: 128.183 ns/day 0.187 hours/ns 7.418 steps/s 2023-04-08 01:15:14,688 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 356100 71220 50.557 -36041 5541.2 -41582 -41582 5.9045 2.9495 1.0523 5.7212e+05 2023-04-08 01:15:16,546 INFO [main.py:643]
{rank 0/100} MD step = 356200 step time: 00:00:00.017882 Performance: 128.211 ns/day 0.187 hours/ns 7.420 steps/s 2023-04-08 01:15:20,396 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 356200 71240 49.469 -36368 5421.9 -41790 -41790 5.9075 2.9496 1.0513 5.7223e+05 2023-04-08 01:15:22,326 INFO [main.py:643]
{rank 0/100} MD step = 356300 step time: 00:00:00.018030 Performance: 128.232 ns/day 0.187 hours/ns 7.421 steps/s 2023-04-08 01:15:39,303 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 356300 71260 50.594 -36225 5545.2 -41770 -41770 5.9135 2.9506 1.049 5.7243e+05 2023-04-08 01:15:45,334 INFO [main.py:643]
{rank 0/100} MD step = 356400 step time: 00:00:00.018097 Performance: 128.206 ns/day 0.187 hours/ns 7.419 steps/s 2023-04-08 01:16:11,526 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 356400 71280 50.182 -36268 5500 -41768 -41768 5.9153 2.9506 1.0482 5.7258e+05 2023-04-08 01:16:13,498 INFO [main.py:643]
{rank 0/100} MD step = 356500 step time: 00:00:00.018037 Performance: 128.167 ns/day 0.187 hours/ns 7.417 steps/s 2023-04-08 01:16:14,793 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 356500 71300 49.36 -36165 5409.9 -41575 -41575 5.9195 2.9513 1.0485 5.7276e+05 2023-04-08 01:16:19,660 INFO [main.py:643]
{rank 0/100} MD step = 356600 step time: 00:00:00.017977 Performance: 128.187 ns/day 0.187 hours/ns 7.418 steps/s 2023-04-08 01:16:29,103 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 356600 71320 49.541 -36197 5429.8 -41627 -41627 5.9232 2.9522 1.0508 5.7291e+05 2023-04-08 01:16:30,953 INFO [main.py:643]
{rank 0/100} MD step = 356700 step time: 00:00:00.017901 Performance: 128.192 ns/day 0.187 hours/ns 7.419 steps/s 2023-04-08 01:16:35,400 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 356700 71340 49.584 -36208 5434.4 -41643 -41643 5.9248 2.9521 1.0526 5.7308e+05 2023-04-08 01:16:37,253 INFO [main.py:643]
{rank 0/100} MD step = 356800 step time: 00:00:00.018016 Performance: 128.211 ns/day 0.187 hours/ns 7.420 steps/s 2023-04-08 01:16:50,293 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 356800 71360 50.618 -36105 5547.8 -41652 -41652 5.9301 2.9536 1.0522 5.7324e+05 2023-04-08 01:16:52,193 INFO [main.py:643]
{rank 0/100} MD step = 356900 step time: 00:00:00.017903 Performance: 128.208 ns/day 0.187 hours/ns 7.419 steps/s 2023-04-08 01:17:09,632 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 356900 71380 50.641 -36126 5550.3 -41676 -41676 5.9352 2.9534 1.0514 5.7337e+05 2023-04-08 01:17:11,485 INFO [main.py:643]
{rank 0/100} MD step = 357000 step time: 00:00:00.018011 Performance: 128.192 ns/day 0.187 hours/ns 7.419 steps/s 2023-04-08 01:17:20,561 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 357000 71400 50.145 -36156 5495.9 -41652 -41652 5.938 2.9551 1.0512 5.7352e+05 2023-04-08 01:17:22,393 INFO [main.py:643]
{rank 0/100} MD step = 357100 step time: 00:00:00.017990 Performance: 128.199 ns/day 0.187 hours/ns 7.419 steps/s 2023-04-08 01:17:26,927 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 357100 71420 49.991 -36145 5479.1 -41624 -41624 5.942 2.9551 1.0515 5.737e+05 2023-04-08 01:17:28,831 INFO [main.py:643]
{rank 0/100} MD step = 357200 step time: 00:00:00.017929 Performance: 128.218 ns/day 0.187 hours/ns 7.420 steps/s 2023-04-08 01:17:38,149 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 357200 71440 50.3 -36184 5512.9 -41697 -41697 5.9461 2.9565 1.0511 5.7385e+05 2023-04-08 01:17:40,039 INFO [main.py:643]
{rank 0/100} MD step = 357300 step time: 00:00:00.018059 Performance: 128.224 ns/day 0.187 hours/ns 7.420 steps/s 2023-04-08 01:18:05,485 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 357300 71460 50.039 -36213 5484.3 -41697 -41697 5.9502 2.9592 1.0503 5.7404e+05 2023-04-08 01:18:07,295 INFO [main.py:643]
{rank 0/100} MD step = 357400 step time: 00:00:00.017957 Performance: 128.187 ns/day 0.187 hours/ns 7.418 steps/s 2023-04-08 01:18:29,129 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 357400 71480 50.835 -36090 5571.6 -41661 -41661 5.9547 2.9592 1.0513 5.7421e+05 2023-04-08 01:18:30,961 INFO [main.py:643]
{rank 0/100} MD step = 357500 step time: 00:00:00.017966 Performance: 128.160 ns/day 0.187 hours/ns 7.417 steps/s 2023-04-08 01:18:42,114 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 357500 71500 50.85 -36002 5573.2 -41575 -41575 5.9571 2.9607 1.0509 5.744e+05 2023-04-08 01:18:44,721 INFO [main.py:643]
{rank 0/100} MD step = 357600 step time: 00:00:00.017994 Performance: 128.159 ns/day 0.187 hours/ns 7.417 steps/s 2023-04-08 01:19:01,728 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 357600 71520 50.429 -36143 5527.1 -41670 -41670 5.9616 2.9595 1.0501 5.7455e+05 2023-04-08 01:19:07,246 INFO [main.py:643]
{rank 0/100} MD step = 357700 step time: 00:00:00.018038 Performance: 128.135 ns/day 0.187 hours/ns 7.415 steps/s 2023-04-08 01:19:12,608 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 357700 71540 49.907 -36250 5469.9 -41720 -41720 5.9649 2.9601 1.0509 5.7472e+05 2023-04-08 01:19:17,999 INFO [main.py:643]
{rank 0/100} MD step = 357800 step time: 00:00:00.017903 Performance: 128.142 ns/day 0.187 hours/ns 7.416 steps/s 2023-04-08 01:19:35,750 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 357800 71560 50.374 -36125 5521.1 -41646 -41646 5.9684 2.9609 1.0501 5.749e+05 2023-04-08 01:19:37,664 INFO [main.py:643]
{rank 0/100} MD step = 357900 step time: 00:00:00.017970 Performance: 128.126 ns/day 0.187 hours/ns 7.415 steps/s 2023-04-08 01:20:03,599 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 357900 71580 49.878 -36306 5466.7 -41773 -41773 5.9752 2.9624 1.0496 5.7503e+05 2023-04-08 01:20:05,428 INFO [main.py:643]
{rank 0/100} MD step = 358000 step time: 00:00:00.018065 Performance: 128.088 ns/day 0.187 hours/ns 7.413 steps/s 2023-04-08 01:20:18,948 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 358000 71600 51.134 -35948 5604.3 -41553 -41553 5.9787 2.9621 1.048 5.7525e+05 2023-04-08 01:20:20,877 INFO [main.py:643]
{rank 0/100} MD step = 358100 step time: 00:00:00.018047 Performance: 128.083 ns/day 0.187 hours/ns 7.412 steps/s 2023-04-08 01:20:25,497 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 358100 71620 49.098 -36263 5381.2 -41645 -41645 5.9838 2.9647 1.0494 5.7538e+05 2023-04-08 01:20:27,432 INFO [main.py:643]
{rank 0/100} MD step = 358200 step time: 00:00:00.018227 Performance: 128.101 ns/day 0.187 hours/ns 7.413 steps/s 2023-04-08 01:20:44,380 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 358200 71640 50.485 -36068 5533.2 -41601 -41601 5.9889 2.9631 1.0501 5.7557e+05 2023-04-08 01:20:46,201 INFO [main.py:643]
{rank 0/100} MD step = 358300 step time: 00:00:00.017979 Performance: 128.087 ns/day 0.187 hours/ns 7.412 steps/s 2023-04-08 01:20:55,386 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 358300 71660 50.238 -36205 5506.1 -41711 -41711 5.9937 2.9632 1.05 5.757e+05 2023-04-08 01:20:57,303 INFO [main.py:643]
{rank 0/100} MD step = 358400 step time: 00:00:00.018028 Performance: 128.094 ns/day 0.187 hours/ns 7.413 steps/s 2023-04-08 01:21:02,129 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 358400 71680 49.784 -36256 5456.4 -41712 -41712 5.9997 2.9622 1.0506 5.7585e+05 2023-04-08 01:21:04,063 INFO [main.py:643]
{rank 0/100} MD step = 358500 step time: 00:00:00.018005 Performance: 128.112 ns/day 0.187 hours/ns 7.414 steps/s 2023-04-08 01:21:12,309 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 358500 71700 50.046 -36265 5485.1 -41750 -41750 6.0062 2.9641 1.05 5.7599e+05 2023-04-08 01:21:14,765 INFO [main.py:643]
{rank 0/100} MD step = 358600 step time: 00:00:00.018080 Performance: 128.119 ns/day 0.187 hours/ns 7.414 steps/s 2023-04-08 01:21:27,256 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 358600 71720 50.019 -36222 5482.2 -41704 -41704 6.0109 2.965 1.0496 5.7616e+05 2023-04-08 01:21:33,346 INFO [main.py:643]
{rank 0/100} MD step = 358700 step time: 00:00:00.017974 Performance: 128.105 ns/day 0.187 hours/ns 7.414 steps/s 2023-04-08 01:22:18,946 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 358700 71740 49.945 -36266 5474 -41740 -41740 6.0132 2.9643 1.0499 5.7632e+05 2023-04-08 01:22:20,825 INFO [main.py:643]
{rank 0/100} MD step = 358800 step time: 00:00:00.018012 Performance: 128.016 ns/day 0.187 hours/ns 7.408 steps/s 2023-04-08 01:22:33,705 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 358800 71760 50.284 -36048 5511.2 -41559 -41559 6.0168 2.9674 1.0495 5.7649e+05 2023-04-08 01:22:35,562 INFO [main.py:643]
{rank 0/100} MD step = 358900 step time: 00:00:00.019934 Performance: 128.012 ns/day 0.187 hours/ns 7.408 steps/s 2023-04-08 01:22:46,715 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 358900 71780 49.569 -36346 5432.9 -41779 -41779 6.0235 2.9699 1.0483 5.7661e+05 2023-04-08 01:22:48,561 INFO [main.py:643]
{rank 0/100} MD step = 359000 step time: 00:00:00.017951 Performance: 128.014 ns/day 0.187 hours/ns 7.408 steps/s 2023-04-08 01:22:53,311 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 359000 71800 49.57 -36280 5432.9 -41713 -41713 6.0251 2.9698 1.0477 5.7679e+05 2023-04-08 01:22:59,148 INFO [main.py:643]
{rank 0/100} MD step = 359100 step time: 00:00:00.018069 Performance: 128.021 ns/day 0.187 hours/ns 7.409 steps/s 2023-04-08 01:23:25,822 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 359100 71820 50.353 -36210 5518.8 -41728 -41728 6.0277 2.9729 1.0472 5.7696e+05 2023-04-08 01:23:27,707 INFO [main.py:643]
{rank 0/100} MD step = 359200 step time: 00:00:00.017930 Performance: 127.982 ns/day 0.188 hours/ns 7.406 steps/s 2023-04-08 01:23:44,881 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 359200 71840 49.947 -36175 5474.2 -41649 -41649 6.0319 2.9732 1.0465 5.7714e+05 2023-04-08 01:23:46,685 INFO [main.py:643]
{rank 0/100} MD step = 359300 step time: 00:00:00.017875 Performance: 127.967 ns/day 0.188 hours/ns 7.406 steps/s 2023-04-08 01:23:55,764 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 359300 71860 50.308 -36167 5513.8 -41681 -41681 6.0361 2.9744 1.0466 5.7729e+05 2023-04-08 01:23:57,749 INFO [main.py:643]
{rank 0/100} MD step = 359400 step time: 00:00:00.017921 Performance: 127.974 ns/day 0.188 hours/ns 7.406 steps/s 2023-04-08 01:24:36,358 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 359400 71880 49.946 -36170 5474.2 -41644 -41644 6.0387 2.9744 1.047 5.7747e+05 2023-04-08 01:24:38,237 INFO [main.py:643]
{rank 0/100} MD step = 359500 step time: 00:00:00.018997 Performance: 127.902 ns/day 0.188 hours/ns 7.402 steps/s 2023-04-08 01:24:55,499 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 359500 71900 50.414 -36260 5525.4 -41786 -41786 6.043 2.9757 1.0458 5.7761e+05 2023-04-08 01:24:57,402 INFO [main.py:643]
{rank 0/100} MD step = 359600 step time: 00:00:00.018028 Performance: 127.888 ns/day 0.188 hours/ns 7.401 steps/s 2023-04-08 01:25:18,274 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 359600 71920 49.895 -36195 5468.5 -41663 -41663 6.0494 2.9761 1.0458 5.7778e+05 2023-04-08 01:25:20,173 INFO [main.py:643]
{rank 0/100} MD step = 359700 step time: 00:00:00.017992 Performance: 127.863 ns/day 0.188 hours/ns 7.399 steps/s 2023-04-08 01:25:28,364 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 359700 71940 49.935 -36227 5473 -41700 -41700 6.0554 2.9776 1.0459 5.7791e+05 2023-04-08 01:25:30,245 INFO [main.py:643]
{rank 0/100} MD step = 359800 step time: 00:00:00.018077 Performance: 127.872 ns/day 0.188 hours/ns 7.400 steps/s 2023-04-08 01:25:44,921 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 359800 71960 49.921 -36208 5471.4 -41679 -41679 6.0594 2.9787 1.044 5.7807e+05 2023-04-08 01:25:46,785 INFO [main.py:643]
{rank 0/100} MD step = 359900 step time: 00:00:00.017989 Performance: 127.864 ns/day 0.188 hours/ns 7.400 steps/s 2023-04-08 01:25:52,043 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 359900 71980 50.449 -36129 5529.2 -41659 -41659 6.0637 2.9796 1.0435 5.7824e+05 2023-04-08 01:25:54,015 INFO [main.py:643]
{rank 0/100} MD step = 360000 step time: 00:00:00.017806 Performance: 127.881 ns/day 0.188 hours/ns 7.401 steps/s 2023-04-08 01:26:06,679 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 360000 72000 49.976 -36142 5477.4 -41619 -41619 6.0717 2.9797 1.0438 5.784e+05 2023-04-08 01:26:12,895 INFO [main.py:643]
{rank 0/100} MD step = 360100 step time: 00:00:00.018039 Performance: 127.867 ns/day 0.188 hours/ns 7.400 steps/s 2023-04-08 01:26:17,612 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 360100 72020 49.616 -36256 5438 -41694 -41694 6.0763 2.9799 1.0446 5.7853e+05 2023-04-08 01:26:19,469 INFO [main.py:643]
{rank 0/100} MD step = 360200 step time: 00:00:00.018187 Performance: 127.885 ns/day 0.188 hours/ns 7.401 steps/s 2023-04-08 01:26:37,027 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 360200 72040 49.507 -36395 5426 -41821 -41821 6.0802 2.9806 1.0444 5.7869e+05 2023-04-08 01:26:38,930 INFO [main.py:643]
{rank 0/100} MD step = 360300 step time: 00:00:00.017949 Performance: 127.869 ns/day 0.188 hours/ns 7.400 steps/s 2023-04-08 01:26:47,601 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 360300 72060 50.611 -36145 5547.1 -41692 -41692 6.0842 2.9819 1.0431 5.7886e+05 2023-04-08 01:26:49,571 INFO [main.py:643]
{rank 0/100} MD step = 360400 step time: 00:00:00.018073 Performance: 127.877 ns/day 0.188 hours/ns 7.400 steps/s 2023-04-08 01:26:50,837 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 360400 72080 50.161 -36119 5497.7 -41617 -41617 6.0907 2.982 1.0446 5.7904e+05 2023-04-08 01:26:52,699 INFO [main.py:643]
{rank 0/100} MD step = 360500 step time: 00:00:00.018125 Performance: 127.904 ns/day 0.188 hours/ns 7.402 steps/s 2023-04-08 01:27:09,240 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 360500 72100 49.387 -36307 5412.9 -41720 -41720 6.0968 2.9833 1.0437 5.7915e+05 2023-04-08 01:27:11,206 INFO [main.py:643]
{rank 0/100} MD step = 360600 step time: 00:00:00.017731 Performance: 127.891 ns/day 0.188 hours/ns 7.401 steps/s 2023-04-08 01:27:24,109 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 360600 72120 49.737 -36226 5451.2 -41677 -41677 6.0989 2.9845 1.0441 5.7931e+05 2023-04-08 01:27:26,008 INFO [main.py:643]
{rank 0/100} MD step = 360700 step time: 00:00:00.018378 Performance: 127.888 ns/day 0.188 hours/ns 7.401 steps/s 2023-04-08 01:27:30,931 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 360700 72140 49.661 -36144 5442.9 -41586 -41586 6.1027 2.9844 1.0435 5.795e+05 2023-04-08 01:27:32,806 INFO [main.py:643]
{rank 0/100} MD step = 360800 step time: 00:00:00.017816 Performance: 127.905 ns/day 0.188 hours/ns 7.402 steps/s 2023-04-08 01:27:45,681 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 360800 72160 49.685 -36206 5445.6 -41651 -41651 6.1059 2.9854 1.0415 5.7966e+05 2023-04-08 01:27:47,587 INFO [main.py:643]
{rank 0/100} MD step = 360900 step time: 00:00:00.018167 Performance: 127.902 ns/day 0.188 hours/ns 7.402 steps/s 2023-04-08 01:27:56,011 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 360900 72180 50.151 -36306 5496.7 -41803 -41803 6.1077 2.9879 1.0409 5.7979e+05 2023-04-08 01:27:57,924 INFO [main.py:643]
{rank 0/100} MD step = 361000 step time: 00:00:00.018655 Performance: 127.910 ns/day 0.188 hours/ns 7.402 steps/s 2023-04-08 01:28:15,468 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 361000 72200 49.675 -36309 5444.5 -41754 -41754 6.1124 2.9899 1.0404 5.7996e+05 2023-04-08 01:28:17,372 INFO [main.py:643]
{rank 0/100} MD step = 361100 step time: 00:00:00.017833 Performance: 127.895 ns/day 0.188 hours/ns 7.401 steps/s 2023-04-08 01:28:38,858 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 361100 72220 49.678 -36213 5444.8 -41658 -41658 6.1154 2.9908 1.0406 5.8015e+05 2023-04-08 01:28:40,770 INFO [main.py:643]
{rank 0/100} MD step = 361200 step time: 00:00:00.017924 Performance: 127.869 ns/day 0.188 hours/ns 7.400 steps/s 2023-04-08 01:28:58,177 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 361200 72240 50.516 -36103 5536.6 -41640 -41640 6.1178 2.9896 1.04 5.8031e+05 2023-04-08 01:29:04,182 INFO [main.py:643]
{rank 0/100} MD step = 361300 step time: 00:00:00.018151 Performance: 127.843 ns/day 0.188 hours/ns 7.398 steps/s 2023-04-08 01:29:19,907 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 361300 72260 49.381 -36346 5412.3 -41758 -41758 6.1206 2.9885 1.0397 5.8045e+05 2023-04-08 01:29:21,741 INFO [main.py:643]
{rank 0/100} MD step = 361400 step time: 00:00:00.018028 Performance: 127.832 ns/day 0.188 hours/ns 7.398 steps/s 2023-04-08 01:29:34,812 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 361400 72280 50.818 -36230 5569.8 -41800 -41800 6.1249 2.9888 1.0407 5.8063e+05 2023-04-08 01:29:36,765 INFO [main.py:643]
{rank 0/100} MD step = 361500 step time: 00:00:00.017837 Performance: 127.828 ns/day 0.188 hours/ns 7.397 steps/s 2023-04-08 01:29:46,128 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 361500 72300 50.239 -36167 5506.3 -41674 -41674 6.1256 2.9907 1.0391 5.8079e+05 2023-04-08 01:29:48,037 INFO [main.py:643]
{rank 0/100} MD step = 361600 step time: 00:00:00.017934 Performance: 127.834 ns/day 0.188 hours/ns 7.398 steps/s 2023-04-08 01:30:00,972 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 361600 72320 49.643 -36232 5440.9 -41673 -41673 6.1301 2.9907 1.0385 5.8098e+05 2023-04-08 01:30:02,905 INFO [main.py:643]
{rank 0/100} MD step = 361700 step time: 00:00:00.017999 Performance: 127.831 ns/day 0.188 hours/ns 7.398 steps/s 2023-04-08 01:30:11,317 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 361700 72340 49.418 -36366 5416.3 -41782 -41782 6.1336 2.9922 1.0394 5.8114e+05 2023-04-08 01:30:13,220 INFO [main.py:643]
{rank 0/100} MD step = 361800 step time: 00:00:00.017971 Performance: 127.839 ns/day 0.188 hours/ns 7.398 steps/s 2023-04-08 01:30:26,418 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 361800 72360 49.441 -36200 5418.8 -41619 -41619 6.1365 2.9934 1.0393 5.8132e+05 2023-04-08 01:30:28,429 INFO [main.py:643]
{rank 0/100} MD step = 361900 step time: 00:00:00.018355 Performance: 127.835 ns/day 0.188 hours/ns 7.398 steps/s 2023-04-08 01:30:45,766 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 361900 72380 50.01 -36189 5481.2 -41670 -41670 6.1424 2.9943 1.0381 5.8146e+05 2023-04-08 01:30:47,642 INFO [main.py:643]
{rank 0/100} MD step = 362000 step time: 00:00:00.017818 Performance: 127.820 ns/day 0.188 hours/ns 7.397 steps/s 2023-04-08 01:31:04,786 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 362000 72400 50.273 -36075 5510 -41585 -41585 6.1474 2.9946 1.0386 5.8166e+05 2023-04-08 01:31:06,657 INFO [main.py:643]
{rank 0/100} MD step = 362100 step time: 00:00:00.020537 Performance: 127.805 ns/day 0.188 hours/ns 7.396 steps/s 2023-04-08 01:31:13,981 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 362100 72420 49.885 -36105 5467.4 -41573 -41573 6.1493 2.9952 1.0376 5.8181e+05 2023-04-08 01:31:15,913 INFO [main.py:643]
{rank 0/100} MD step = 362200 step time: 00:00:00.017804 Performance: 127.816 ns/day 0.188 hours/ns 7.397 steps/s 2023-04-08 01:31:24,356 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 362200 72440 49.976 -36220 5477.5 -41698 -41698 6.153 2.9942 1.0366 5.8199e+05 2023-04-08 01:31:26,637 INFO [main.py:643]
{rank 0/100} MD step = 362300 step time: 00:00:00.018055 Performance: 127.824 ns/day 0.188 hours/ns 7.397 steps/s 2023-04-08 01:31:43,757 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 362300 72460 50.24 -36231 5506.3 -41737 -41737 6.1572 2.9945 1.0377 5.8211e+05 2023-04-08 01:31:45,627 INFO [main.py:643]
{rank 0/100} MD step = 362400 step time: 00:00:00.017999 Performance: 127.810 ns/day 0.188 hours/ns 7.396 steps/s 2023-04-08 01:31:55,080 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 362400 72480 50.016 -36189 5481.8 -41671 -41671 6.1619 2.9933 1.037 5.8228e+05 2023-04-08 01:31:56,969 INFO [main.py:643]
{rank 0/100} MD step = 362500 step time: 00:00:00.017885 Performance: 127.815 ns/day 0.188 hours/ns 7.397 steps/s 2023-04-08 01:32:00,868 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 362500 72500 50.085 -36128 5489.4 -41618 -41618 6.1644 2.9936 1.0366 5.8248e+05 2023-04-08 01:32:02,768 INFO [main.py:643]
{rank 0/100} MD step = 362600 step time: 00:00:00.017956 Performance: 127.835 ns/day 0.188 hours/ns 7.398 steps/s 2023-04-08 01:32:18,059 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 362600 72520 50.171 -36315 5498.8 -41813 -41813 6.1707 2.993 1.0373 5.8259e+05 2023-04-08 01:32:19,961 INFO [main.py:643]
{rank 0/100} MD step = 362700 step time: 00:00:00.018066 Performance: 127.826 ns/day 0.188 hours/ns 7.397 steps/s 2023-04-08 01:32:37,490 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 362700 72540 49.407 -36246 5415 -41661 -41661 6.1742 2.9945 1.0373 5.8274e+05 2023-04-08 01:32:43,390 INFO [main.py:643]
{rank 0/100} MD step = 362800 step time: 00:00:00.017964 Performance: 127.800 ns/day 0.188 hours/ns 7.396 steps/s 2023-04-08 01:32:50,193 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 362800 72560 49.801 -36229 5458.2 -41687 -41687 6.1763 2.994 1.0365 5.8293e+05 2023-04-08 01:32:52,276 INFO [main.py:643]
{rank 0/100} MD step = 362900 step time: 00:00:00.018167 Performance: 127.812 ns/day 0.188 hours/ns 7.397 steps/s 2023-04-08 01:32:56,496 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 362900 72580 49.618 -36241 5438.2 -41680 -41680 6.1797 2.9957 1.0373 5.8311e+05 2023-04-08 01:32:58,310 INFO [main.py:643]
{rank 0/100} MD step = 363000 step time: 00:00:00.018121 Performance: 127.831 ns/day 0.188 hours/ns 7.398 steps/s 2023-04-08 01:33:08,238 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 363000 72600 50.043 -36190 5484.8 -41675 -41675 6.1836 2.998 1.0359 5.8327e+05 2023-04-08 01:33:10,196 INFO [main.py:643]
{rank 0/100} MD step = 363100 step time: 00:00:00.017914 Performance: 127.836 ns/day 0.188 hours/ns 7.398 steps/s 2023-04-08 01:33:41,684 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 363100 72620 50.471 -36192 5531.7 -41724 -41724 6.1884 3.001 1.0342 5.8342e+05 2023-04-08 01:33:43,699 INFO [main.py:643]
{rank 0/100} MD step = 363200 step time: 00:00:00.018000 Performance: 127.784 ns/day 0.188 hours/ns 7.395 steps/s 2023-04-08 01:33:52,574 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 363200 72640 50.163 -36039 5497.9 -41537 -41537 6.1918 3.0016 1.0344 5.8363e+05 2023-04-08 01:33:54,442 INFO [main.py:643]
{rank 0/100} MD step = 363300 step time: 00:00:00.018499 Performance: 127.791 ns/day 0.188 hours/ns 7.395 steps/s 2023-04-08 01:34:16,262 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 363300 72660 50.071 -36195 5487.8 -41683 -41683 6.1932 3.0027 1.0332 5.8375e+05 2023-04-08 01:34:22,066 INFO [main.py:643]
{rank 0/100} MD step = 363400 step time: 00:00:00.018204 Performance: 127.754 ns/day 0.188 hours/ns 7.393 steps/s 2023-04-08 01:34:33,781 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 363400 72680 49.556 -36284 5431.4 -41715 -41715 6.2009 3.0045 1.0331 5.8392e+05 2023-04-08 01:34:35,602 INFO [main.py:643]
{rank 0/100} MD step = 363500 step time: 00:00:00.018001 Performance: 127.754 ns/day 0.188 hours/ns 7.393 steps/s 2023-04-08 01:34:40,809 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 363500 72700 49.861 -36212 5464.8 -41676 -41676 6.205 3.0045 1.0322 5.8407e+05 2023-04-08 01:34:42,689 INFO [main.py:643]
{rank 0/100} MD step = 363600 step time: 00:00:00.017875 Performance: 127.771 ns/day 0.188 hours/ns 7.394 steps/s 2023-04-08 01:34:50,611 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 363600 72720 50.502 -36150 5535.1 -41685 -41685 6.21 3.0053 1.0325 5.8426e+05 2023-04-08 01:34:52,480 INFO [main.py:643]
{rank 0/100} MD step = 363700 step time: 00:00:00.017753 Performance: 127.781 ns/day 0.188 hours/ns 7.395 steps/s 2023-04-08 01:35:05,535 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 363700 72740 50.384 -36168 5522.2 -41691 -41691 6.2116 3.0048 1.0316 5.8443e+05 2023-04-08 01:35:07,413 INFO [main.py:643]
{rank 0/100} MD step = 363800 step time: 00:00:00.018059 Performance: 127.777 ns/day 0.188 hours/ns 7.395 steps/s 2023-04-08 01:35:21,214 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 363800 72760 49.919 -36146 5471.2 -41618 -41618 6.2183 3.0063 1.0323 5.8459e+05 2023-04-08 01:35:30,729 INFO [main.py:643]
{rank 0/100} MD step = 363900 step time: 00:00:00.017977 Performance: 127.752 ns/day 0.188 hours/ns 7.393 steps/s 2023-04-08 01:35:52,541 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 363900 72780 49.602 -36236 5436.5 -41673 -41673 6.2229 3.0075 1.0326 5.8473e+05 2023-04-08 01:35:54,408 INFO [main.py:643]
{rank 0/100} MD step = 364000 step time: 00:00:00.018477 Performance: 127.725 ns/day 0.188 hours/ns 7.392 steps/s 2023-04-08 01:35:57,898 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 364000 72800 49.938 -36190 5473.3 -41663 -41663 6.2261 3.0082 1.0328 5.849e+05 2023-04-08 01:35:59,713 INFO [main.py:643]
{rank 0/100} MD step = 364100 step time: 00:00:00.018344 Performance: 127.747 ns/day 0.188 hours/ns 7.393 steps/s 2023-04-08 01:36:21,008 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 364100 72820 50.799 -36177 5567.6 -41745 -41745 6.2287 3.0088 1.0323 5.8504e+05 2023-04-08 01:36:26,618 INFO [main.py:643]
{rank 0/100} MD step = 364200 step time: 00:00:00.017986 Performance: 127.712 ns/day 0.188 hours/ns 7.391 steps/s 2023-04-08 01:36:38,027 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 364200 72840 49.716 -36185 5448.9 -41634 -41634 6.2343 3.0095 1.0311 5.852e+05 2023-04-08 01:36:39,832 INFO [main.py:643]
{rank 0/100} MD step = 364300 step time: 00:00:00.017951 Performance: 127.713 ns/day 0.188 hours/ns 7.391 steps/s 2023-04-08 01:36:57,444 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 364300 72860 49.961 -36247 5475.8 -41723 -41723 6.2386 3.0107 1.0322 5.8535e+05 2023-04-08 01:36:59,316 INFO [main.py:643]
{rank 0/100} MD step = 364400 step time: 00:00:00.018119 Performance: 127.697 ns/day 0.188 hours/ns 7.390 steps/s 2023-04-08 01:37:33,689 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 364400 72880 49.976 -36125 5477.4 -41603 -41603 6.2422 3.0122 1.0331 5.8553e+05 2023-04-08 01:37:35,869 INFO [main.py:643]
{rank 0/100} MD step = 364500 step time: 00:00:00.017834 Performance: 127.638 ns/day 0.188 hours/ns 7.386 steps/s 2023-04-08 01:37:48,764 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 364500 72900 50.254 -36247 5507.9 -41755 -41755 6.2442 3.0125 1.0327 5.8569e+05 2023-04-08 01:37:50,694 INFO [main.py:643]
{rank 0/100} MD step = 364600 step time: 00:00:00.017965 Performance: 127.634 ns/day 0.188 hours/ns 7.386 steps/s 2023-04-08 01:37:59,494 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 364600 72920 49.995 -36299 5479.5 -41779 -41779 6.2481 3.0138 1.0321 5.8585e+05 2023-04-08 01:38:05,343 INFO [main.py:643]
{rank 0/100} MD step = 364700 step time: 00:00:00.017872 Performance: 127.632 ns/day 0.188 hours/ns 7.386 steps/s 2023-04-08 01:38:18,757 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 364700 72940 50.059 -36287 5486.5 -41774 -41774 6.2531 3.0138 1.0304 5.8602e+05 2023-04-08 01:38:20,752 INFO [main.py:643]
{rank 0/100} MD step = 364800 step time: 00:00:00.019068 Performance: 127.627 ns/day 0.188 hours/ns 7.386 steps/s 2023-04-08 01:38:25,392 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 364800 72960 49.642 -36247 5440.8 -41688 -41688 6.2586 3.0146 1.0327 5.8617e+05 2023-04-08 01:38:27,434 INFO [main.py:643]
{rank 0/100} MD step = 364900 step time: 00:00:00.018070 Performance: 127.644 ns/day 0.188 hours/ns 7.387 steps/s 2023-04-08 01:38:28,548 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 364900 72980 49.793 -36232 5457.4 -41689 -41689 6.2641 3.0145 1.0322 5.8634e+05 2023-04-08 01:38:33,294 INFO [main.py:643]
{rank 0/100} MD step = 365000 step time: 00:00:00.017928 Performance: 127.664 ns/day 0.188 hours/ns 7.388 steps/s 2023-04-08 01:38:46,828 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 365000 73000 49.232 -36288 5395.9 -41684 -41684 6.2657 3.0147 1.0317 5.865e+05 2023-04-08 01:38:48,774 INFO [main.py:643]
{rank 0/100} MD step = 365100 step time: 00:00:00.017956 Performance: 127.659 ns/day 0.188 hours/ns 7.388 steps/s 2023-04-08 01:39:01,818 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 365100 73020 49.281 -36246 5401.2 -41647 -41647 6.2696 3.0147 1.0313 5.8665e+05 2023-04-08 01:39:03,657 INFO [main.py:643]
{rank 0/100} MD step = 365200 step time: 00:00:00.018138 Performance: 127.656 ns/day 0.188 hours/ns 7.387 steps/s 2023-04-08 01:39:25,545 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 365200 73040 50.276 -36235 5510.4 -41745 -41745 6.276 3.0158 1.032 5.868e+05 2023-04-08 01:39:27,351 INFO [main.py:643]
{rank 0/100} MD step = 365300 step time: 00:00:00.018168 Performance: 127.630 ns/day 0.188 hours/ns 7.386 steps/s 2023-04-08 01:39:58,310 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 365300 73060 50.342 -36185 5517.6 -41703 -41703 6.2799 3.0163 1.0316 5.8694e+05 2023-04-08 01:40:00,109 INFO [main.py:643]
{rank 0/100} MD step = 365400 step time: 00:00:00.017919 Performance: 127.580 ns/day 0.188 hours/ns 7.383 steps/s 2023-04-08 01:40:08,355 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 365400 73080 49.714 -36261 5448.7 -41710 -41710 6.2812 3.0172 1.0321 5.8711e+05 2023-04-08 01:40:10,219 INFO [main.py:643]
{rank 0/100} MD step = 365500 step time: 00:00:00.017860 Performance: 127.589 ns/day 0.188 hours/ns 7.384 steps/s 2023-04-08 01:40:23,389 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 365500 73100 50.033 -36216 5483.7 -41700 -41700 6.2848 3.019 1.0318 5.8725e+05 2023-04-08 01:40:25,243 INFO [main.py:643]
{rank 0/100} MD step = 365600 step time: 00:00:00.018083 Performance: 127.585 ns/day 0.188 hours/ns 7.383 steps/s 2023-04-08 01:40:51,045 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 365600 73120 50.81 -36063 5568.8 -41631 -41631 6.2903 3.0212 1.0319 5.8745e+05 2023-04-08 01:40:53,089 INFO [main.py:643]
{rank 0/100} MD step = 365700 step time: 00:00:00.018055 Performance: 127.548 ns/day 0.188 hours/ns 7.381 steps/s 2023-04-08 01:41:19,238 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 365700 73140 50.34 -36222 5517.3 -41739 -41739 6.2932 3.0219 1.0307 5.8758e+05 2023-04-08 01:41:29,492 INFO [main.py:643]
{rank 0/100} MD step = 365800 step time: 00:00:00.017911 Performance: 127.489 ns/day 0.188 hours/ns 7.378 steps/s 2023-04-08 01:41:38,577 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 365800 73160 51.011 -36074 5590.9 -41665 -41665 6.296 3.0244 1.0302 5.8775e+05 2023-04-08 01:41:40,508 INFO [main.py:643]
{rank 0/100} MD step = 365900 step time: 00:00:00.018826 Performance: 127.496 ns/day 0.188 hours/ns 7.378 steps/s 2023-04-08 01:41:53,548 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 365900 73180 49.787 -36138 5456.7 -41595 -41595 6.3004 3.0248 1.0302 5.8792e+05 2023-04-08 01:41:55,369 INFO [main.py:643]
{rank 0/100} MD step = 366000 step time: 00:00:00.018133 Performance: 127.493 ns/day 0.188 hours/ns 7.378 steps/s 2023-04-08 01:42:08,640 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 366000 73200 49.804 -36219 5458.5 -41677 -41677 6.3041 3.0261 1.0301 5.8806e+05 2023-04-08 01:42:10,757 INFO [main.py:643]
{rank 0/100} MD step = 366100 step time: 00:00:00.018060 Performance: 127.488 ns/day 0.188 hours/ns 7.378 steps/s 2023-04-08 01:42:28,382 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 366100 73220 49.781 -36177 5456 -41633 -41633 6.3074 3.027 1.0328 5.8823e+05 2023-04-08 01:42:30,286 INFO [main.py:643]
{rank 0/100} MD step = 366200 step time: 00:00:00.017890 Performance: 127.473 ns/day 0.188 hours/ns 7.377 steps/s 2023-04-08 01:42:44,925 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 366200 73240 50.551 -36134 5540.5 -41674 -41674 6.3108 3.0272 1.0334 5.884e+05 2023-04-08 01:42:46,776 INFO [main.py:643]
{rank 0/100} MD step = 366300 step time: 00:00:00.018361 Performance: 127.465 ns/day 0.188 hours/ns 7.376 steps/s 2023-04-08 01:42:51,669 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 366300 73260 49.94 -36043 5473.4 -41516 -41516 6.3139 3.0281 1.0333 5.8858e+05 2023-04-08 01:42:53,543 INFO [main.py:643]
{rank 0/100} MD step = 366400 step time: 00:00:00.017928 Performance: 127.482 ns/day 0.188 hours/ns 7.377 steps/s 2023-04-08 01:43:06,574 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 366400 73280 49.699 -36319 5447.1 -41766 -41766 6.3193 3.0301 1.0337 5.8871e+05 2023-04-08 01:43:08,409 INFO [main.py:643]
{rank 0/100} MD step = 366500 step time: 00:00:00.018090 Performance: 127.479 ns/day 0.188 hours/ns 7.377 steps/s 2023-04-08 01:43:30,950 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 366500 73300 50.3 -36250 5513 -41763 -41763 6.3235 3.0318 1.0322 5.8887e+05 2023-04-08 01:43:32,797 INFO [main.py:643]
{rank 0/100} MD step = 366600 step time: 00:00:00.017981 Performance: 127.451 ns/day 0.188 hours/ns 7.376 steps/s 2023-04-08 01:43:40,946 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 366600 73320 50.279 -36238 5510.6 -41749 -41749 6.3277 3.0324 1.0316 5.8903e+05 2023-04-08 01:43:42,844 INFO [main.py:643]
{rank 0/100} MD step = 366700 step time: 00:00:00.018079 Performance: 127.460 ns/day 0.188 hours/ns 7.376 steps/s 2023-04-08 01:44:04,572 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 366700 73340 50.08 -36134 5488.8 -41623 -41623 6.3293 3.0332 1.0312 5.8923e+05 2023-04-08 01:44:06,363 INFO [main.py:643]
{rank 0/100} MD step = 366800 step time: 00:00:00.017983 Performance: 127.435 ns/day 0.188 hours/ns 7.375 steps/s 2023-04-08 01:44:15,584 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 366800 73360 49.258 -36374 5398.7 -41773 -41773 6.3316 3.0358 1.0316 5.8938e+05 2023-04-08 01:44:17,423 INFO [main.py:643]
{rank 0/100} MD step = 366900 step time: 00:00:00.017958 Performance: 127.441 ns/day 0.188 hours/ns 7.375 steps/s 2023-04-08 01:44:21,774 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 366900 73380 50.532 -36108 5538.4 -41647 -41647 6.3372 3.0375 1.0316 5.8955e+05 2023-04-08 01:44:23,684 INFO [main.py:643]
{rank 0/100} MD step = 367000 step time: 00:00:00.017947 Performance: 127.460 ns/day 0.188 hours/ns 7.376 steps/s 2023-04-08 01:44:36,726 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 367000 73400 49.91 -36174 5470.2 -41644 -41644 6.3425 3.0396 1.0331 5.897e+05 2023-04-08 01:44:38,717 INFO [main.py:643]
{rank 0/100} MD step = 367100 step time: 00:00:00.017988 Performance: 127.456 ns/day 0.188 hours/ns 7.376 steps/s 2023-04-08 01:44:43,318 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 367100 73420 50.224 -36269 5504.7 -41773 -41773 6.3444 3.0393 1.034 5.8985e+05 2023-04-08 01:44:45,184 INFO [main.py:643]
{rank 0/100} MD step = 367200 step time: 00:00:00.017956 Performance: 127.474 ns/day 0.188 hours/ns 7.377 steps/s 2023-04-08 01:44:54,675 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 367200 73440 48.892 -36383 5358.6 -41742 -41742 6.3488 3.0395 1.0339 5.8998e+05 2023-04-08 01:44:56,522 INFO [main.py:643]
{rank 0/100} MD step = 367300 step time: 00:00:00.017946 Performance: 127.480 ns/day 0.188 hours/ns 7.377 steps/s 2023-04-08 01:44:58,128 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 367300 73460 50.114 -36110 5492.5 -41602 -41602 6.3532 3.0396 1.0343 5.9016e+05 2023-04-08 01:45:00,030 INFO [main.py:643]
{rank 0/100} MD step = 367400 step time: 00:00:00.017942 Performance: 127.506 ns/day 0.188 hours/ns 7.379 steps/s 2023-04-08 01:45:13,830 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 367400 73480 49.959 -36185 5475.5 -41661 -41661 6.3571 3.0412 1.0337 5.903e+05 2023-04-08 01:45:15,722 INFO [main.py:643]
{rank 0/100} MD step = 367500 step time: 00:00:00.017975 Performance: 127.500 ns/day 0.188 hours/ns 7.378 steps/s 2023-04-08 01:45:16,968 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 367500 73500 49.446 -36290 5419.4 -41710 -41710 6.3606 3.0437 1.0338 5.9047e+05 2023-04-08 01:45:18,826 INFO [main.py:643]
{rank 0/100} MD step = 367600 step time: 00:00:00.017946 Performance: 127.527 ns/day 0.188 hours/ns 7.380 steps/s 2023-04-08 01:45:31,338 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 367600 73520 49.906 -36242 5469.8 -41712 -41712 6.3593 3.0438 1.0344 5.9061e+05 2023-04-08 01:45:33,327 INFO [main.py:643]
{rank 0/100} MD step = 367700 step time: 00:00:00.018077 Performance: 127.524 ns/day 0.188 hours/ns 7.380 steps/s 2023-04-08 01:45:43,093 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 367700 73540 50.008 -36245 5480.9 -41726 -41726 6.361 3.0451 1.0343 5.9077e+05 2023-04-08 01:45:44,943 INFO [main.py:643]
{rank 0/100} MD step = 367800 step time: 00:00:00.018120 Performance: 127.529 ns/day 0.188 hours/ns 7.380 steps/s 2023-04-08 01:45:50,377 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 367800 73560 49.301 -36308 5403.5 -41712 -41712 6.3615 3.0445 1.0353 5.9092e+05 2023-04-08 01:45:52,177 INFO [main.py:643]
{rank 0/100} MD step = 367900 step time: 00:00:00.017853 Performance: 127.546 ns/day 0.188 hours/ns 7.381 steps/s 2023-04-08 01:46:00,859 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 367900 73580 50.145 -36161 5496 -41656 -41656 6.3669 3.0454 1.0363 5.9109e+05 2023-04-08 01:46:03,111 INFO [main.py:643]
{rank 0/100} MD step = 368000 step time: 00:00:00.018167 Performance: 127.552 ns/day 0.188 hours/ns 7.381 steps/s 2023-04-08 01:46:16,128 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 368000 73600 50.25 -36240 5507.5 -41748 -41748 6.3689 3.0464 1.0364 5.9124e+05 2023-04-08 01:46:17,975 INFO [main.py:643]
{rank 0/100} MD step = 368100 step time: 00:00:00.017936 Performance: 127.549 ns/day 0.188 hours/ns 7.381 steps/s 2023-04-08 01:46:35,199 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 368100 73620 50.442 -36164 5528.5 -41693 -41693 6.3718 3.0489 1.0346 5.9142e+05 2023-04-08 01:46:40,717 INFO [main.py:643]
{rank 0/100} MD step = 368200 step time: 00:00:00.018023 Performance: 127.525 ns/day 0.188 hours/ns 7.380 steps/s 2023-04-08 01:46:58,406 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 368200 73640 50.338 -36154 5517.1 -41671 -41671 6.3751 3.0485 1.0357 5.9158e+05 2023-04-08 01:47:00,333 INFO [main.py:643]
{rank 0/100} MD step = 368300 step time: 00:00:00.018249 Performance: 127.510 ns/day 0.188 hours/ns 7.379 steps/s 2023-04-08 01:47:01,485 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 368300 73660 49.464 -36271 5421.3 -41692 -41692 6.3783 3.0487 1.0347 5.9175e+05 2023-04-08 01:47:03,365 INFO [main.py:643]
{rank 0/100} MD step = 368400 step time: 00:00:00.018616 Performance: 127.537 ns/day 0.188 hours/ns 7.381 steps/s 2023-04-08 01:47:15,571 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 368400 73680 49.788 -36310 5456.8 -41767 -41767 6.3815 3.0482 1.0358 5.919e+05 2023-04-08 01:47:17,506 INFO [main.py:643]
{rank 0/100} MD step = 368500 step time: 00:00:00.017904 Performance: 127.535 ns/day 0.188 hours/ns 7.381 steps/s 2023-04-08 01:47:32,411 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 368500 73700 50.211 -36210 5503.2 -41713 -41713 6.3826 3.05 1.0381 5.9205e+05 2023-04-08 01:47:34,620 INFO [main.py:643]
{rank 0/100} MD step = 368600 step time: 00:00:00.017932 Performance: 127.526 ns/day 0.188 hours/ns 7.380 steps/s 2023-04-08 01:47:47,857 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 368600 73720 49.806 -36248 5458.8 -41707 -41707 6.3881 3.0525 1.0371 5.9221e+05 2023-04-08 01:47:49,801 INFO [main.py:643]
{rank 0/100} MD step = 368700 step time: 00:00:00.018001 Performance: 127.522 ns/day 0.188 hours/ns 7.380 steps/s 2023-04-08 01:47:58,917 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 368700 73740 49.927 -36169 5472 -41641 -41641 6.394 3.0518 1.0369 5.9239e+05 2023-04-08 01:48:00,777 INFO [main.py:643]
{rank 0/100} MD step = 368800 step time: 00:00:00.018114 Performance: 127.529 ns/day 0.188 hours/ns 7.380 steps/s 2023-04-08 01:48:09,825 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 368800 73760 50.928 -36202 5581.8 -41784 -41784 6.3978 3.0544 1.0362 5.9254e+05 2023-04-08 01:48:11,647 INFO [main.py:643]
{rank 0/100} MD step = 368900 step time: 00:00:00.018127 Performance: 127.535 ns/day 0.188 hours/ns 7.381 steps/s 2023-04-08 01:48:28,798 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 368900 73780 50.215 -36196 5503.7 -41700 -41700 6.3995 3.0557 1.0366 5.927e+05 2023-04-08 01:48:30,706 INFO [main.py:643]
{rank 0/100} MD step = 369000 step time: 00:00:00.018209 Performance: 127.521 ns/day 0.188 hours/ns 7.380 steps/s 2023-04-08 01:48:44,083 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 369000 73800 49.889 -36186 5467.9 -41654 -41654 6.4027 3.0559 1.0349 5.9286e+05 2023-04-08 01:48:45,922 INFO [main.py:643]
{rank 0/100} MD step = 369100 step time: 00:00:00.017910 Performance: 127.517 ns/day 0.188 hours/ns 7.379 steps/s 2023-04-08 01:49:02,871 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 369100 73820 50.565 -36137 5542 -41679 -41679 6.4054 3.0581 1.0362 5.9302e+05 2023-04-08 01:49:04,770 INFO [main.py:643]
{rank 0/100} MD step = 369200 step time: 00:00:00.018340 Performance: 127.504 ns/day 0.188 hours/ns 7.379 steps/s 2023-04-08 01:49:13,928 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 369200 73840 50.478 -36133 5532.4 -41666 -41666 6.4108 3.0594 1.0364 5.9318e+05 2023-04-08 01:49:15,779 INFO [main.py:643]
{rank 0/100} MD step = 369300 step time: 00:00:00.017997 Performance: 127.510 ns/day 0.188 hours/ns 7.379 steps/s 2023-04-08 01:49:28,960 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 369300 73860 50.721 -36062 5559.1 -41621 -41621 6.4149 3.0598 1.0353 5.9335e+05 2023-04-08 01:49:30,774 INFO [main.py:643]
{rank 0/100} MD step = 369400 step time: 00:00:00.017822 Performance: 127.506 ns/day 0.188 hours/ns 7.379 steps/s 2023-04-08 01:49:43,905 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 369400 73880 49.824 -36250 5460.7 -41711 -41711 6.4202 3.0598 1.036 5.935e+05 2023-04-08 01:49:45,810 INFO [main.py:643]
{rank 0/100} MD step = 369500 step time: 00:00:00.017923 Performance: 127.503 ns/day 0.188 hours/ns 7.379 steps/s 2023-04-08 01:49:55,022 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 369500 73900 50.665 -36148 5552.9 -41701 -41701 6.4236 3.0595 1.036 5.9366e+05 2023-04-08 01:49:56,814 INFO [main.py:643]
{rank 0/100} MD step = 369600 step time: 00:00:00.017873 Performance: 127.509 ns/day 0.188 hours/ns 7.379 steps/s 2023-04-08 01:49:58,068 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 369600 73920 49.949 -36221 5474.5 -41695 -41695 6.4274 3.0599 1.0351 5.9384e+05 2023-04-08 01:49:59,930 INFO [main.py:643]
{rank 0/100} MD step = 369700 step time: 00:00:00.017990 Performance: 127.536 ns/day 0.188 hours/ns 7.381 steps/s 2023-04-08 01:50:12,003 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 369700 73940 49.784 -36217 5456.4 -41673 -41673 6.4286 3.0598 1.0362 5.9399e+05 2023-04-08 01:50:13,889 INFO [main.py:643]
{rank 0/100} MD step = 369800 step time: 00:00:00.017944 Performance: 127.535 ns/day 0.188 hours/ns 7.380 steps/s 2023-04-08 01:50:35,172 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 369800 73960 50.51 -36170 5536 -41706 -41706 6.4321 3.0618 1.0358 5.9415e+05 2023-04-08 01:50:37,160 INFO [main.py:643]
{rank 0/100} MD step = 369900 step time: 00:00:00.018306 Performance: 127.510 ns/day 0.188 hours/ns 7.379 steps/s 2023-04-08 01:50:42,327 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 369900 73980 50.004 -36162 5480.5 -41642 -41642 6.4355 3.0623 1.0347 5.943e+05 2023-04-08 01:50:44,146 INFO [main.py:643]
{rank 0/100} MD step = 370000 step time: 00:00:00.018090 Performance: 127.527 ns/day 0.188 hours/ns 7.380 steps/s 2023-04-08 01:50:52,717 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 370000 74000 50.305 -36171 5513.5 -41684 -41684 6.4389 3.0627 1.0339 5.9446e+05 2023-04-08 01:50:54,583 INFO [main.py:643]
{rank 0/100} MD step = 370100 step time: 00:00:00.018074 Performance: 127.534 ns/day 0.188 hours/ns 7.380 steps/s 2023-04-08 01:51:03,427 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 370100 74020 50.225 -36203 5504.7 -41708 -41708 6.4431 3.0647 1.0336 5.9464e+05 2023-04-08 01:51:05,301 INFO [main.py:643]
{rank 0/100} MD step = 370200 step time: 00:00:00.019389 Performance: 127.542 ns/day 0.188 hours/ns 7.381 steps/s 2023-04-08 01:51:18,471 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 370200 74040 49.324 -36373 5405.9 -41779 -41779 6.4469 3.0659 1.034 5.9479e+05 2023-04-08 01:51:24,401 INFO [main.py:643]
{rank 0/100} MD step = 370300 step time: 00:00:00.017982 Performance: 127.528 ns/day 0.188 hours/ns 7.380 steps/s 2023-04-08 01:51:29,057 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 370300 74060 50.145 -36230 5495.9 -41726 -41726 6.4512 3.0652 1.0346 5.9496e+05 2023-04-08 01:51:35,100 INFO [main.py:643]
{rank 0/100} MD step = 370400 step time: 00:00:00.018037 Performance: 127.535 ns/day 0.188 hours/ns 7.380 steps/s 2023-04-08 01:51:57,063 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 370400 74080 50.178 -36207 5499.6 -41707 -41707 6.4539 3.0656 1.0337 5.9512e+05 2023-04-08 01:51:58,991 INFO [main.py:643]
{rank 0/100} MD step = 370500 step time: 00:00:00.018060 Performance: 127.509 ns/day 0.188 hours/ns 7.379 steps/s 2023-04-08 01:52:12,002 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 370500 74100 49.307 -36277 5404.1 -41682 -41682 6.4569 3.0659 1.0345 5.953e+05 2023-04-08 01:52:13,879 INFO [main.py:643]
{rank 0/100} MD step = 370600 step time: 00:00:00.018141 Performance: 127.505 ns/day 0.188 hours/ns 7.379 steps/s 2023-04-08 01:52:48,572 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 370600 74120 50.04 -36264 5484.4 -41748 -41748 6.4614 3.0676 1.0347 5.9544e+05 2023-04-08 01:52:50,465 INFO [main.py:643]
{rank 0/100} MD step = 370700 step time: 00:00:00.017979 Performance: 127.447 ns/day 0.188 hours/ns 7.375 steps/s 2023-04-08 01:52:59,900 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 370700 74140 50.01 -36226 5481.1 -41707 -41707 6.465 3.0678 1.0325 5.9562e+05 2023-04-08 01:53:01,714 INFO [main.py:643]
{rank 0/100} MD step = 370800 step time: 00:00:00.018064 Performance: 127.453 ns/day 0.188 hours/ns 7.376 steps/s 2023-04-08 01:53:18,692 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 370800 74160 49.229 -36419 5395.5 -41814 -41814 6.4678 3.0688 1.0313 5.9577e+05 2023-04-08 01:53:20,526 INFO [main.py:643]
{rank 0/100} MD step = 370900 step time: 00:00:00.018032 Performance: 127.439 ns/day 0.188 hours/ns 7.375 steps/s 2023-04-08 01:53:33,656 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 370900 74180 50.213 -36079 5503.4 -41582 -41582 6.4708 3.072 1.0305 5.9597e+05 2023-04-08 01:53:35,544 INFO [main.py:643]
{rank 0/100} MD step = 371000 step time: 00:00:00.018037 Performance: 127.436 ns/day 0.188 hours/ns 7.375 steps/s 2023-04-08 01:53:57,471 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 371000 74200 50.014 -36159 5481.5 -41641 -41641 6.4711 3.071 1.0295 5.9612e+05 2023-04-08 01:53:59,310 INFO [main.py:643]
{rank 0/100} MD step = 371100 step time: 00:00:00.018147 Performance: 127.410 ns/day 0.188 hours/ns 7.373 steps/s 2023-04-08 01:54:20,891 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 371100 74220 49.636 -36253 5440.1 -41694 -41694 6.4728 3.0716 1.0291 5.9628e+05 2023-04-08 01:54:22,699 INFO [main.py:643]
{rank 0/100} MD step = 371200 step time: 00:00:00.018449 Performance: 127.385 ns/day 0.188 hours/ns 7.372 steps/s 2023-04-08 01:54:27,442 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 371200 74240 50.668 -36133 5553.3 -41686 -41686 6.4768 3.0734 1.0284 5.9644e+05 2023-04-08 01:54:29,354 INFO [main.py:643]
{rank 0/100} MD step = 371300 step time: 00:00:00.017920 Performance: 127.402 ns/day 0.188 hours/ns 7.373 steps/s 2023-04-08 01:54:40,445 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 371300 74260 49.717 -36210 5449 -41659 -41659 6.4773 3.0746 1.0298 5.9661e+05 2023-04-08 01:54:42,272 INFO [main.py:643]
{rank 0/100} MD step = 371400 step time: 00:00:00.018011 Performance: 127.404 ns/day 0.188 hours/ns 7.373 steps/s 2023-04-08 01:54:51,057 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 371400 74280 49.611 -36259 5437.4 -41696 -41696 6.4799 3.075 1.0305 5.9675e+05 2023-04-08 01:54:57,144 INFO [main.py:643]
{rank 0/100} MD step = 371500 step time: 00:00:00.017972 Performance: 127.401 ns/day 0.188 hours/ns 7.373 steps/s 2023-04-08 01:55:06,895 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 371500 74300 49 -36436 5370.5 -41806 -41806 6.4828 3.0761 1.0295 5.969e+05 2023-04-08 01:55:08,788 INFO [main.py:643]
{rank 0/100} MD step = 371600 step time: 00:00:00.018138 Performance: 127.406 ns/day 0.188 hours/ns 7.373 steps/s 2023-04-08 01:55:13,174 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 371600 74320 50.036 -36190 5484 -41674 -41674 6.4835 3.0755 1.0298 5.9707e+05 2023-04-08 01:55:15,308 INFO [main.py:643]
{rank 0/100} MD step = 371700 step time: 00:00:00.018010 Performance: 127.423 ns/day 0.188 hours/ns 7.374 steps/s 2023-04-08 01:55:35,856 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 371700 74340 49.669 -36140 5443.8 -41583 -41583 6.4849 3.0766 1.0285 5.9723e+05 2023-04-08 01:55:37,733 INFO [main.py:643]
{rank 0/100} MD step = 371800 step time: 00:00:00.018058 Performance: 127.401 ns/day 0.188 hours/ns 7.373 steps/s 2023-04-08 01:55:48,686 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 371800 74360 50.255 -36195 5508 -41703 -41703 6.489 3.0779 1.0283 5.9739e+05 2023-04-08 01:55:50,524 INFO [main.py:643]
{rank 0/100} MD step = 371900 step time: 00:00:00.018139 Performance: 127.403 ns/day 0.188 hours/ns 7.373 steps/s 2023-04-08 01:56:03,793 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 371900 74380 49.706 -36160 5447.9 -41608 -41608 6.4932 3.0796 1.028 5.9756e+05 2023-04-08 01:56:05,769 INFO [main.py:643]
{rank 0/100} MD step = 372000 step time: 00:00:00.018027 Performance: 127.399 ns/day 0.188 hours/ns 7.373 steps/s 2023-04-08 01:56:27,440 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 372000 74400 50.021 -36212 5482.4 -41695 -41695 6.4985 3.081 1.0269 5.9772e+05 2023-04-08 01:56:29,563 INFO [main.py:643]
{rank 0/100} MD step = 372100 step time: 00:00:00.018101 Performance: 127.373 ns/day 0.188 hours/ns 7.371 steps/s 2023-04-08 01:56:42,676 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 372100 74420 50.594 -36091 5545.1 -41636 -41636 6.502 3.082 1.0266 5.979e+05 2023-04-08 01:56:44,599 INFO [main.py:643]
{rank 0/100} MD step = 372200 step time: 00:00:00.018063 Performance: 127.369 ns/day 0.188 hours/ns 7.371 steps/s 2023-04-08 01:56:57,887 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 372200 74440 49.691 -36232 5446.2 -41679 -41679 6.5061 3.0823 1.0274 5.9806e+05 2023-04-08 01:57:03,568 INFO [main.py:643]
{rank 0/100} MD step = 372300 step time: 00:00:00.018120 Performance: 127.355 ns/day 0.188 hours/ns 7.370 steps/s 2023-04-08 01:57:25,415 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 372300 74460 49.132 -36362 5384.9 -41747 -41747 6.5082 3.0824 1.027 5.9819e+05 2023-04-08 01:57:27,339 INFO [main.py:643]
{rank 0/100} MD step = 372400 step time: 00:00:00.017926 Performance: 127.330 ns/day 0.188 hours/ns 7.369 steps/s 2023-04-08 01:57:31,966 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 372400 74480 50.466 -36210 5531.2 -41741 -41741 6.5096 3.0834 1.0272 5.9836e+05 2023-04-08 01:57:38,153 INFO [main.py:643]
{rank 0/100} MD step = 372500 step time: 00:00:00.017986 Performance: 127.337 ns/day 0.188 hours/ns 7.369 steps/s 2023-04-08 01:58:08,298 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 372500 74500 49.61 -36182 5437.3 -41619 -41619 6.5132 3.0845 1.0249 5.9853e+05 2023-04-08 01:58:10,147 INFO [main.py:643]
{rank 0/100} MD step = 372600 step time: 00:00:00.017921 Performance: 127.290 ns/day 0.189 hours/ns 7.366 steps/s 2023-04-08 01:58:15,822 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 372600 74520 50.296 -36223 5512.5 -41736 -41736 6.518 3.0848 1.0233 5.9867e+05 2023-04-08 01:58:17,680 INFO [main.py:643]
{rank 0/100} MD step = 372700 step time: 00:00:00.017883 Performance: 127.306 ns/day 0.189 hours/ns 7.367 steps/s 2023-04-08 01:58:38,527 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 372700 74540 50.183 -36189 5500.1 -41690 -41690 6.5213 3.084 1.024 5.9885e+05 2023-04-08 01:58:40,367 INFO [main.py:643]
{rank 0/100} MD step = 372800 step time: 00:00:00.018007 Performance: 127.283 ns/day 0.189 hours/ns 7.366 steps/s 2023-04-08 01:58:57,807 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 372800 74560 49.487 -36281 5423.9 -41704 -41704 6.5261 3.0862 1.0233 5.9902e+05 2023-04-08 01:59:03,754 INFO [main.py:643]
{rank 0/100} MD step = 372900 step time: 00:00:00.018090 Performance: 127.258 ns/day 0.189 hours/ns 7.364 steps/s 2023-04-08 01:59:08,940 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 372900 74580 50.252 -36217 5507.6 -41725 -41725 6.5288 3.0881 1.0237 5.9919e+05 2023-04-08 01:59:14,587 INFO [main.py:643]
{rank 0/100} MD step = 373000 step time: 00:00:00.018128 Performance: 127.265 ns/day 0.189 hours/ns 7.365 steps/s 2023-04-08 01:59:28,097 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 373000 74600 49.327 -36354 5406.2 -41761 -41761 6.53 3.0887 1.0236 5.9933e+05 2023-04-08 01:59:29,932 INFO [main.py:643]
{rank 0/100} MD step = 373100 step time: 00:00:00.018158 Performance: 127.260 ns/day 0.189 hours/ns 7.365 steps/s 2023-04-08 01:59:43,624 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 373100 74620 50.226 -36201 5504.9 -41706 -41706 6.5331 3.0914 1.0231 5.995e+05 2023-04-08 01:59:45,449 INFO [main.py:643]
{rank 0/100} MD step = 373200 step time: 00:00:00.017997 Performance: 127.256 ns/day 0.189 hours/ns 7.364 steps/s 2023-04-08 01:59:54,400 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 373200 74640 49.327 -36302 5406.3 -41708 -41708 6.5345 3.091 1.0237 5.9967e+05 2023-04-08 01:59:56,284 INFO [main.py:643]
{rank 0/100} MD step = 373300 step time: 00:00:00.017948 Performance: 127.262 ns/day 0.189 hours/ns 7.365 steps/s 2023-04-08 02:00:00,345 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 373300 74660 49.969 -36172 5476.7 -41649 -41649 6.5379 3.0913 1.0226 5.9978e+05 2023-04-08 02:00:02,274 INFO [main.py:643]
{rank 0/100} MD step = 373400 step time: 00:00:00.018013 Performance: 127.281 ns/day 0.189 hours/ns 7.366 steps/s 2023-04-08 02:00:19,635 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 373400 74680 50.037 -36302 5484.1 -41786 -41786 6.5413 3.0919 1.0225 5.9995e+05 2023-04-08 02:00:21,479 INFO [main.py:643]
{rank 0/100} MD step = 373500 step time: 00:00:00.018026 Performance: 127.267 ns/day 0.189 hours/ns 7.365 steps/s 2023-04-08 02:00:30,017 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 373500 74700 49.407 -36353 5415.1 -41768 -41768 6.5436 3.0924 1.0222 6.0011e+05 2023-04-08 02:00:31,933 INFO [main.py:643]
{rank 0/100} MD step = 373600 step time: 00:00:00.018015 Performance: 127.275 ns/day 0.189 hours/ns 7.365 steps/s 2023-04-08 02:00:36,834 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 373600 74720 50.038 -36191 5484.2 -41676 -41676 6.5464 3.0934 1.0214 6.0029e+05 2023-04-08 02:00:38,722 INFO [main.py:643]
{rank 0/100} MD step = 373700 step time: 00:00:00.018129 Performance: 127.292 ns/day 0.189 hours/ns 7.366 steps/s 2023-04-08 02:00:44,113 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 373700 74740 49.892 -36168 5468.3 -41636 -41636 6.5504 3.094 1.0212 6.0047e+05 2023-04-08 02:00:46,263 INFO [main.py:643]
{rank 0/100} MD step = 373800 step time: 00:00:00.018071 Performance: 127.307 ns/day 0.189 hours/ns 7.367 steps/s 2023-04-08 02:00:58,142 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 373800 74760 49.682 -36199 5445.2 -41644 -41644 6.5537 3.0945 1.0197 6.0064e+05 2023-04-08 02:01:00,051 INFO [main.py:643]
{rank 0/100} MD step = 373900 step time: 00:00:00.018032 Performance: 127.307 ns/day 0.189 hours/ns 7.367 steps/s 2023-04-08 02:01:04,594 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 373900 74780 49.804 -36233 5458.6 -41692 -41692 6.5548 3.0963 1.0197 6.008e+05 2023-04-08 02:01:06,504 INFO [main.py:643]
{rank 0/100} MD step = 374000 step time: 00:00:00.018060 Performance: 127.325 ns/day 0.188 hours/ns 7.368 steps/s 2023-04-08 02:01:23,788 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 374000 74800 50.745 -36165 5561.7 -41727 -41727 6.5561 3.0975 1.0193 6.0096e+05 2023-04-08 02:01:26,088 INFO [main.py:643]
{rank 0/100} MD step = 374100 step time: 00:00:00.017979 Performance: 127.310 ns/day 0.189 hours/ns 7.367 steps/s 2023-04-08 02:01:40,889 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 374100 74820 49.698 -36244 5447 -41691 -41691 6.5607 3.0992 1.0194 6.0114e+05 2023-04-08 02:01:42,765 INFO [main.py:643]
{rank 0/100} MD step = 374200 step time: 00:00:00.017847 Performance: 127.302 ns/day 0.189 hours/ns 7.367 steps/s 2023-04-08 02:01:56,156 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 374200 74840 49.846 -36231 5463.2 -41694 -41694 6.562 3.0991 1.0207 6.0128e+05 2023-04-08 02:02:10,852 INFO [main.py:643]
{rank 0/100} MD step = 374300 step time: 00:00:00.018022 Performance: 127.265 ns/day 0.189 hours/ns 7.365 steps/s 2023-04-08 02:02:32,700 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 374300 74860 49.761 -36258 5453.9 -41712 -41712 6.5637 3.0979 1.0207 6.0144e+05 2023-04-08 02:02:38,534 INFO [main.py:643]
{rank 0/100} MD step = 374400 step time: 00:00:00.018012 Performance: 127.230 ns/day 0.189 hours/ns 7.363 steps/s 2023-04-08 02:02:54,359 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 374400 74880 50.436 -36150 5527.9 -41677 -41677 6.5672 3.0991 1.0207 6.016e+05 2023-04-08 02:03:00,055 INFO [main.py:643]
{rank 0/100} MD step = 374500 step time: 00:00:00.018314 Performance: 127.210 ns/day 0.189 hours/ns 7.362 steps/s 2023-04-08 02:03:06,991 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 374500 74900 50.234 -36168 5505.7 -41674 -41674 6.5701 3.0973 1.0205 6.0176e+05 2023-04-08 02:03:12,904 INFO [main.py:643]
{rank 0/100} MD step = 374600 step time: 00:00:00.018060 Performance: 127.212 ns/day 0.189 hours/ns 7.362 steps/s 2023-04-08 02:03:30,777 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 374600 74920 49.539 -36256 5429.5 -41686 -41686 6.5739 3.0986 1.0205 6.0191e+05 2023-04-08 02:03:32,611 INFO [main.py:643]
{rank 0/100} MD step = 374700 step time: 00:00:00.018208 Performance: 127.197 ns/day 0.189 hours/ns 7.361 steps/s 2023-04-08 02:03:41,401 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 374700 74940 50.07 -36164 5487.7 -41651 -41651 6.5785 3.0986 1.0197 6.0208e+05 2023-04-08 02:03:43,343 INFO [main.py:643]
{rank 0/100} MD step = 374800 step time: 00:00:00.018075 Performance: 127.204 ns/day 0.189 hours/ns 7.361 steps/s 2023-04-08 02:04:00,822 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 374800 74960 50.322 -36213 5515.3 -41728 -41728 6.5822 3.0994 1.0208 6.0222e+05 2023-04-08 02:04:02,659 INFO [main.py:643]
{rank 0/100} MD step = 374900 step time: 00:00:00.018042 Performance: 127.190 ns/day 0.189 hours/ns 7.361 steps/s 2023-04-08 02:04:03,833 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 374900 74980 50.362 -36203 5519.7 -41723 -41723 6.5855 3.1016 1.0209 6.0239e+05 2023-04-08 02:04:05,673 INFO [main.py:643]
{rank 0/100} MD step = 375000 step time: 00:00:00.017997 Performance: 127.216 ns/day 0.189 hours/ns 7.362 steps/s 2023-04-08 02:04:27,551 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 375000 75000 49.985 -36179 5478.4 -41658 -41658 6.5868 3.1017 1.0218 6.0259e+05 2023-04-08 02:04:29,823 INFO [main.py:643]
{rank 0/100} MD step = 375100 step time: 00:00:00.017918 Performance: 127.190 ns/day 0.189 hours/ns 7.361 steps/s 2023-04-08 02:05:07,084 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 375100 75020 49.621 -36177 5438.5 -41616 -41616 6.5868 3.1021 1.0207 6.0274e+05 2023-04-08 02:05:09,222 INFO [main.py:643]
{rank 0/100} MD step = 375200 step time: 00:00:00.018027 Performance: 127.125 ns/day 0.189 hours/ns 7.357 steps/s 2023-04-08 02:05:26,717 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 375200 75040 49.875 -36202 5466.4 -41668 -41668 6.5901 3.104 1.018 6.0288e+05 2023-04-08 02:05:28,617 INFO [main.py:643]
{rank 0/100} MD step = 375300 step time: 00:00:00.020848 Performance: 127.111 ns/day 0.189 hours/ns 7.356 steps/s 2023-04-08 02:05:50,172 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 375300 75060 49.746 -36250 5452.2 -41702 -41702 6.5926 3.1039 1.016 6.0304e+05 2023-04-08 02:05:52,067 INFO [main.py:643]
{rank 0/100} MD step = 375400 step time: 00:00:00.018039 Performance: 127.086 ns/day 0.189 hours/ns 7.355 steps/s 2023-04-08 02:06:09,581 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 375400 75080 50.618 -36089 5547.8 -41637 -41637 6.595 3.1028 1.0151 6.032e+05 2023-04-08 02:06:11,449 INFO [main.py:643]
{rank 0/100} MD step = 375500 step time: 00:00:00.018014 Performance: 127.072 ns/day 0.189 hours/ns 7.354 steps/s 2023-04-08 02:06:20,256 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 375500 75100 50.444 -36118 5528.7 -41647 -41647 6.5959 3.1039 1.0154 6.0335e+05 2023-04-08 02:06:22,176 INFO [main.py:643]
{rank 0/100} MD step = 375600 step time: 00:00:00.018021 Performance: 127.079 ns/day 0.189 hours/ns 7.354 steps/s 2023-04-08 02:06:35,456 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 375600 75120 50.228 -36110 5505.1 -41615 -41615 6.5982 3.1029 1.0153 6.0353e+05 2023-04-08 02:06:37,506 INFO [main.py:643]
{rank 0/100} MD step = 375700 step time: 00:00:00.017880 Performance: 127.075 ns/day 0.189 hours/ns 7.354 steps/s 2023-04-08 02:06:50,348 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 375700 75140 49.786 -36276 5456.6 -41732 -41732 6.6029 3.1037 1.0155 6.0366e+05 2023-04-08 02:06:52,324 INFO [main.py:643]
{rank 0/100} MD step = 375800 step time: 00:00:00.017946 Performance: 127.072 ns/day 0.189 hours/ns 7.354 steps/s 2023-04-08 02:07:05,817 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 375800 75160 49.168 -36351 5388.8 -41740 -41740 6.6061 3.1034 1.0157 6.0383e+05 2023-04-08 02:07:07,708 INFO [main.py:643]
{rank 0/100} MD step = 375900 step time: 00:00:00.017964 Performance: 127.067 ns/day 0.189 hours/ns 7.353 steps/s 2023-04-08 02:07:33,110 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 375900 75180 50.608 -36100 5546.7 -41647 -41647 6.6086 3.104 1.0151 6.04e+05 2023-04-08 02:07:35,032 INFO [main.py:643]
{rank 0/100} MD step = 376000 step time: 00:00:00.017966 Performance: 127.033 ns/day 0.189 hours/ns 7.351 steps/s 2023-04-08 02:07:43,922 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 376000 75200 49.236 -36273 5396.4 -41669 -41669 6.6115 3.1044 1.0148 6.0415e+05 2023-04-08 02:07:49,925 INFO [main.py:643]
{rank 0/100} MD step = 376100 step time: 00:00:00.017974 Performance: 127.030 ns/day 0.189 hours/ns 7.351 steps/s 2023-04-08 02:08:09,842 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 376100 75220 49.681 -36269 5445.1 -41715 -41715 6.613 3.1057 1.0156 6.043e+05 2023-04-08 02:08:11,674 INFO [main.py:643]
{rank 0/100} MD step = 376200 step time: 00:00:00.018098 Performance: 127.010 ns/day 0.189 hours/ns 7.350 steps/s 2023-04-08 02:08:29,205 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 376200 75240 49.963 -36283 5476 -41759 -41759 6.6196 3.1073 1.0155 6.0444e+05 2023-04-08 02:08:31,074 INFO [main.py:643]
{rank 0/100} MD step = 376300 step time: 00:00:00.017895 Performance: 126.995 ns/day 0.189 hours/ns 7.349 steps/s 2023-04-08 02:08:52,688 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 376300 75260 50.081 -36181 5488.9 -41669 -41669 6.6207 3.1087 1.0142 6.0462e+05 2023-04-08 02:08:54,579 INFO [main.py:643]
{rank 0/100} MD step = 376400 step time: 00:00:00.018033 Performance: 126.971 ns/day 0.189 hours/ns 7.348 steps/s 2023-04-08 02:09:10,321 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 376400 75280 50.559 -36058 5541.4 -41599 -41599 6.6222 3.1102 1.0141 6.0478e+05 2023-04-08 02:09:12,203 INFO [main.py:643]
{rank 0/100} MD step = 376500 step time: 00:00:00.018214 Performance: 126.961 ns/day 0.189 hours/ns 7.347 steps/s 2023-04-08 02:09:16,381 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 376500 75300 50.05 -36099 5485.5 -41585 -41585 6.624 3.1116 1.013 6.0501e+05 2023-04-08 02:09:18,330 INFO [main.py:643]
{rank 0/100} MD step = 376600 step time: 00:00:00.018117 Performance: 126.979 ns/day 0.189 hours/ns 7.348 steps/s 2023-04-08 02:09:41,996 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 376600 75320 49.953 -36278 5474.9 -41753 -41753 6.6287 3.1113 1.0128 6.0513e+05 2023-04-08 02:09:43,950 INFO [main.py:643]
{rank 0/100} MD step = 376700 step time: 00:00:00.017980 Performance: 126.950 ns/day 0.189 hours/ns 7.347 steps/s 2023-04-08 02:09:45,201 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 376700 75340 50.213 -36236 5503.4 -41740 -41740 6.6316 3.1139 1.012 6.0529e+05 2023-04-08 02:09:47,049 INFO [main.py:643]
{rank 0/100} MD step = 376800 step time: 00:00:00.018010 Performance: 126.976 ns/day 0.189 hours/ns 7.348 steps/s 2023-04-08 02:10:12,102 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 376800 75360 50.544 -36092 5539.7 -41632 -41632 6.6335 3.1128 1.0126 6.0548e+05 2023-04-08 02:10:14,221 INFO [main.py:643]
{rank 0/100} MD step = 376900 step time: 00:00:00.018019 Performance: 126.942 ns/day 0.189 hours/ns 7.346 steps/s 2023-04-08 02:10:25,873 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 376900 75380 49.51 -36280 5426.4 -41706 -41706 6.6362 3.1138 1.0129 6.0563e+05 2023-04-08 02:10:27,840 INFO [main.py:643]
{rank 0/100} MD step = 377000 step time: 00:00:00.023181 Performance: 126.942 ns/day 0.189 hours/ns 7.346 steps/s 2023-04-08 02:10:33,520 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 377000 75400 50.026 -36169 5482.9 -41652 -41652 6.6393 3.1159 1.0129 6.0582e+05 2023-04-08 02:10:35,513 INFO [main.py:643]
{rank 0/100} MD step = 377100 step time: 00:00:00.018766 Performance: 126.957 ns/day 0.189 hours/ns 7.347 steps/s 2023-04-08 02:10:56,450 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 377100 75420 49.685 -36203 5445.5 -41648 -41648 6.6394 3.1176 1.0119 6.0598e+05 2023-04-08 02:10:58,339 INFO [main.py:643]
{rank 0/100} MD step = 377200 step time: 00:00:00.018473 Performance: 126.934 ns/day 0.189 hours/ns 7.346 steps/s 2023-04-08 02:11:03,215 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 377200 75440 50.506 -36220 5535.5 -41756 -41756 6.6444 3.1185 1.0105 6.061e+05 2023-04-08 02:11:15,314 INFO [main.py:643]
{rank 0/100} MD step = 377300 step time: 00:00:00.018103 Performance: 126.926 ns/day 0.189 hours/ns 7.345 steps/s 2023-04-08 02:11:28,694 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 377300 75460 49.886 -36147 5467.6 -41614 -41614 6.6465 3.1194 1.0101 6.0629e+05 2023-04-08 02:11:30,556 INFO [main.py:643]
{rank 0/100} MD step = 377400 step time: 00:00:00.018050 Performance: 126.922 ns/day 0.189 hours/ns 7.345 steps/s 2023-04-08 02:11:46,648 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 377400 75480 50.389 -36110 5522.7 -41632 -41632 6.6508 3.1199 1.0106 6.0647e+05 2023-04-08 02:11:48,552 INFO [main.py:643]
{rank 0/100} MD step = 377500 step time: 00:00:00.017973 Performance: 126.911 ns/day 0.189 hours/ns 7.344 steps/s 2023-04-08 02:11:59,109 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 377500 75500 49.318 -36195 5405.3 -41600 -41600 6.6535 3.1213 1.0114 6.0666e+05 2023-04-08 02:12:00,902 INFO [main.py:643]
{rank 0/100} MD step = 377600 step time: 00:00:00.017931 Performance: 126.914 ns/day 0.189 hours/ns 7.345 steps/s 2023-04-08 02:12:14,835 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 377600 75520 49.92 -36207 5471.3 -41679 -41679 6.6565 3.1232 1.0115 6.0682e+05 2023-04-08 02:12:16,766 INFO [main.py:643]
{rank 0/100} MD step = 377700 step time: 00:00:00.018064 Performance: 126.908 ns/day 0.189 hours/ns 7.344 steps/s 2023-04-08 02:12:36,111 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 377700 75540 50.036 -36160 5484 -41644 -41644 6.6611 3.1233 1.0108 6.0699e+05 2023-04-08 02:12:38,015 INFO [main.py:643]
{rank 0/100} MD step = 377800 step time: 00:00:00.017978 Performance: 126.890 ns/day 0.189 hours/ns 7.343 steps/s 2023-04-08 02:13:03,868 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 377800 75560 50.553 -36108 5540.6 -41649 -41649 6.6645 3.1235 1.0114 6.0715e+05 2023-04-08 02:13:14,225 INFO [main.py:643]
{rank 0/100} MD step = 377900 step time: 00:00:00.018122 Performance: 126.834 ns/day 0.189 hours/ns 7.340 steps/s 2023-04-08 02:13:34,159 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 377900 75580 50.23 -36209 5505.3 -41714 -41714 6.6671 3.1246 1.0111 6.0728e+05 2023-04-08 02:13:36,020 INFO [main.py:643]
{rank 0/100} MD step = 378000 step time: 00:00:00.018207 Performance: 126.814 ns/day 0.189 hours/ns 7.339 steps/s 2023-04-08 02:13:58,008 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 378000 75600 49.974 -36181 5477.3 -41658 -41658 6.6684 3.1263 1.0128 6.0745e+05 2023-04-08 02:13:59,839 INFO [main.py:643]
{rank 0/100} MD step = 378100 step time: 00:00:00.018128 Performance: 126.789 ns/day 0.189 hours/ns 7.337 steps/s 2023-04-08 02:14:08,250 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 378100 75620 49.144 -36301 5386.2 -41687 -41687 6.6731 3.1281 1.0138 6.076e+05 2023-04-08 02:14:10,118 INFO [main.py:643]
{rank 0/100} MD step = 378200 step time: 00:00:00.018035 Performance: 126.797 ns/day 0.189 hours/ns 7.338 steps/s 2023-04-08 02:14:25,829 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 378200 75640 50.118 -36189 5493 -41682 -41682 6.6774 3.1281 1.0137 6.0777e+05 2023-04-08 02:14:31,600 INFO [main.py:643]
{rank 0/100} MD step = 378300 step time: 00:00:00.018023 Performance: 126.778 ns/day 0.189 hours/ns 7.337 steps/s 2023-04-08 02:14:46,964 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 378300 75660 50.3 -36140 5513 -41653 -41653 6.6814 3.1285 1.0126 6.0794e+05 2023-04-08 02:14:48,839 INFO [main.py:643]
{rank 0/100} MD step = 378400 step time: 00:00:00.018062 Performance: 126.769 ns/day 0.189 hours/ns 7.336 steps/s 2023-04-08 02:14:58,192 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 378400 75680 49.758 -36189 5453.6 -41643 -41643 6.6826 3.1323 1.0131 6.0809e+05 2023-04-08 02:15:00,024 INFO [main.py:643]
{rank 0/100} MD step = 378500 step time: 00:00:00.018557 Performance: 126.775 ns/day 0.189 hours/ns 7.337 steps/s 2023-04-08 02:15:04,968 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 378500 75700 49.755 -36179 5453.2 -41632 -41632 6.6857 3.1328 1.0134 6.0829e+05 2023-04-08 02:15:06,797 INFO [main.py:643]
{rank 0/100} MD step = 378600 step time: 00:00:00.017914 Performance: 126.792 ns/day 0.189 hours/ns 7.337 steps/s 2023-04-08 02:15:23,951 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 378600 75720 49.897 -36150 5468.8 -41619 -41619 6.6906 3.1337 1.0138 6.0846e+05 2023-04-08 02:15:25,950 INFO [main.py:643]
{rank 0/100} MD step = 378700 step time: 00:00:00.017903 Performance: 126.778 ns/day 0.189 hours/ns 7.337 steps/s 2023-04-08 02:15:42,935 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 378700 75740 50.077 -36306 5488.6 -41794 -41794 6.6928 3.1357 1.0132 6.086e+05 2023-04-08 02:15:44,874 INFO [main.py:643]
{rank 0/100} MD step = 378800 step time: 00:00:00.018066 Performance: 126.765 ns/day 0.189 hours/ns 7.336 steps/s 2023-04-08 02:15:55,383 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 378800 75760 49.867 -36242 5465.5 -41708 -41708 6.6949 3.1371 1.0127 6.0878e+05 2023-04-08 02:15:57,269 INFO [main.py:643]
{rank 0/100} MD step = 378900 step time: 00:00:00.018208 Performance: 126.768 ns/day 0.189 hours/ns 7.336 steps/s 2023-04-08 02:16:15,269 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 378900 75780 49.919 -36255 5471.2 -41727 -41727 6.6968 3.1367 1.013 6.0895e+05 2023-04-08 02:16:17,397 INFO [main.py:643]
{rank 0/100} MD step = 379000 step time: 00:00:00.018114 Performance: 126.752 ns/day 0.189 hours/ns 7.335 steps/s 2023-04-08 02:16:34,475 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 379000 75800 49.752 -36149 5452.8 -41602 -41602 6.7004 3.1374 1.0127 6.0913e+05 2023-04-08 02:16:36,453 INFO [main.py:643]
{rank 0/100} MD step = 379100 step time: 00:00:00.018000 Performance: 126.739 ns/day 0.189 hours/ns 7.334 steps/s 2023-04-08 02:16:58,271 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 379100 75820 50.298 -36056 5512.7 -41568 -41568 6.7025 3.1397 1.0132 6.0929e+05 2023-04-08 02:17:00,111 INFO [main.py:643]
{rank 0/100} MD step = 379200 step time: 00:00:00.018051 Performance: 126.714 ns/day 0.189 hours/ns 7.333 steps/s 2023-04-08 02:17:15,445 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 379200 75840 50.491 -36171 5533.9 -41705 -41705 6.7051 3.1408 1.0126 6.0945e+05 2023-04-08 02:17:17,259 INFO [main.py:643]
{rank 0/100} MD step = 379300 step time: 00:00:00.018055 Performance: 126.706 ns/day 0.189 hours/ns 7.333 steps/s 2023-04-08 02:17:26,296 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 379300 75860 50.166 -36171 5498.3 -41669 -41669 6.7076 3.141 1.0131 6.0962e+05 2023-04-08 02:17:28,126 INFO [main.py:643]
{rank 0/100} MD step = 379400 step time: 00:00:00.017998 Performance: 126.713 ns/day 0.189 hours/ns 7.333 steps/s 2023-04-08 02:17:41,065 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 379400 75880 49.876 -36301 5466.5 -41768 -41768 6.7127 3.1407 1.0119 6.0976e+05 2023-04-08 02:17:43,003 INFO [main.py:643]
{rank 0/100} MD step = 379500 step time: 00:00:00.018111 Performance: 126.709 ns/day 0.189 hours/ns 7.333 steps/s 2023-04-08 02:17:51,812 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 379500 75900 49.52 -36155 5427.5 -41583 -41583 6.717 3.1425 1.012 6.0996e+05 2023-04-08 02:17:53,679 INFO [main.py:643]
{rank 0/100} MD step = 379600 step time: 00:00:00.017897 Performance: 126.717 ns/day 0.189 hours/ns 7.333 steps/s 2023-04-08 02:18:32,596 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 379600 75920 49.612 -36299 5437.5 -41737 -41737 6.7195 3.1437 1.0112 6.101e+05 2023-04-08 02:18:34,434 INFO [main.py:643]
{rank 0/100} MD step = 379700 step time: 00:00:00.018093 Performance: 126.650 ns/day 0.189 hours/ns 7.329 steps/s 2023-04-08 02:18:52,290 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 379700 75940 50.031 -36180 5483.4 -41663 -41663 6.7247 3.1446 1.01 6.1027e+05 2023-04-08 02:18:54,117 INFO [main.py:643]
{rank 0/100} MD step = 379800 step time: 00:00:00.017924 Performance: 126.636 ns/day 0.190 hours/ns 7.328 steps/s 2023-04-08 02:19:07,265 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 379800 75960 50.11 -36213 5492.1 -41705 -41705 6.7285 3.146 1.0101 6.1042e+05 2023-04-08 02:19:09,133 INFO [main.py:643]
{rank 0/100} MD step = 379900 step time: 00:00:00.017997 Performance: 126.632 ns/day 0.190 hours/ns 7.328 steps/s 2023-04-08 02:19:26,180 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 379900 75980 50.602 -36236 5546.1 -41782 -41782 6.732 3.1464 1.0114 6.1056e+05 2023-04-08 02:19:32,171 INFO [main.py:643]
{rank 0/100} MD step = 380000 step time: 00:00:00.017996 Performance: 126.609 ns/day 0.190 hours/ns 7.327 steps/s 2023-04-08 02:19:35,744 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 380000 76000 49.594 -36268 5435.6 -41704 -41704 6.733 3.1466 1.0115 6.1072e+05 2023-04-08 02:19:37,599 INFO [main.py:643]
{rank 0/100} MD step = 380100 step time: 00:00:00.017943 Performance: 126.629 ns/day 0.190 hours/ns 7.328 steps/s 2023-04-08 02:19:46,768 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 380100 76020 50.073 -36174 5488 -41662 -41662 6.7344 3.1468 1.0104 6.1092e+05 2023-04-08 02:19:48,719 INFO [main.py:643]
{rank 0/100} MD step = 380200 step time: 00:00:00.017981 Performance: 126.636 ns/day 0.190 hours/ns 7.328 steps/s 2023-04-08 02:19:57,070 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 380200 76040 50.329 -36123 5516.1 -41639 -41639 6.736 3.1483 1.0084 6.1107e+05 2023-04-08 02:19:59,085 INFO [main.py:643]
{rank 0/100} MD step = 380300 step time: 00:00:00.018019 Performance: 126.644 ns/day 0.190 hours/ns 7.329 steps/s 2023-04-08 02:20:32,825 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 380300 76060 50.508 -36199 5535.7 -41735 -41735 6.7414 3.1497 1.0077 6.1123e+05 2023-04-08 02:20:35,001 INFO [main.py:643]
{rank 0/100} MD step = 380400 step time: 00:00:00.018243 Performance: 126.589 ns/day 0.190 hours/ns 7.326 steps/s 2023-04-08 02:20:56,570 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 380400 76080 50.377 -36192 5521.4 -41713 -41713 6.743 3.1508 1.0083 6.1137e+05 2023-04-08 02:20:58,418 INFO [main.py:643]
{rank 0/100} MD step = 380500 step time: 00:00:00.017894 Performance: 126.565 ns/day 0.190 hours/ns 7.324 steps/s 2023-04-08 02:21:11,652 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 380500 76100 49.805 -36287 5458.7 -41746 -41746 6.747 3.1524 1.0089 6.1153e+05 2023-04-08 02:21:13,589 INFO [main.py:643]
{rank 0/100} MD step = 380600 step time: 00:00:00.017968 Performance: 126.562 ns/day 0.190 hours/ns 7.324 steps/s 2023-04-08 02:21:22,880 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 380600 76120 50.327 -36189 5515.9 -41705 -41705 6.75 3.1528 1.007 6.1168e+05 2023-04-08 02:21:24,767 INFO [main.py:643]
{rank 0/100} MD step = 380700 step time: 00:00:00.017921 Performance: 126.568 ns/day 0.190 hours/ns 7.325 steps/s 2023-04-08 02:21:50,737 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 380700 76140 49.147 -36355 5386.5 -41741 -41741 6.7541 3.1532 1.0049 6.1183e+05 2023-04-08 02:21:56,036 INFO [main.py:643]
{rank 0/100} MD step = 380800 step time: 00:00:00.017955 Performance: 126.525 ns/day 0.190 hours/ns 7.322 steps/s 2023-04-08 02:22:03,035 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 380800 76160 49.763 -36146 5454.1 -41600 -41600 6.7579 3.1539 1.0046 6.1198e+05 2023-04-08 02:22:09,231 INFO [main.py:643]
{rank 0/100} MD step = 380900 step time: 00:00:00.017949 Performance: 126.526 ns/day 0.190 hours/ns 7.322 steps/s 2023-04-08 02:22:35,274 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 380900 76180 49.632 -36226 5439.7 -41666 -41666 6.7594 3.1555 1.0038 6.1214e+05 2023-04-08 02:22:37,158 INFO [main.py:643]
{rank 0/100} MD step = 381000 step time: 00:00:00.017989 Performance: 126.491 ns/day 0.190 hours/ns 7.320 steps/s 2023-04-08 02:22:46,449 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 381000 76200 49.493 -36346 5424.4 -41770 -41770 6.7608 3.158 1.0049 6.1227e+05 2023-04-08 02:22:48,278 INFO [main.py:643]
{rank 0/100} MD step = 381100 step time: 00:00:00.018067 Performance: 126.498 ns/day 0.190 hours/ns 7.320 steps/s 2023-04-08 02:23:14,691 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 381100 76220 49.526 -36328 5428.1 -41756 -41756 6.7626 3.1566 1.0041 6.1242e+05 2023-04-08 02:23:16,560 INFO [main.py:643]
{rank 0/100} MD step = 381200 step time: 00:00:00.018041 Performance: 126.462 ns/day 0.190 hours/ns 7.318 steps/s 2023-04-08 02:23:39,795 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 381200 76240 49.769 -36179 5454.7 -41634 -41634 6.7661 3.1573 1.0024 6.1258e+05 2023-04-08 02:23:41,765 INFO [main.py:643]
{rank 0/100} MD step = 381300 step time: 00:00:00.017963 Performance: 126.434 ns/day 0.190 hours/ns 7.317 steps/s 2023-04-08 02:24:07,740 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 381300 76260 50.115 -36260 5492.7 -41752 -41752 6.7682 3.1583 1.0023 6.127e+05 2023-04-08 02:24:09,572 INFO [main.py:643]
{rank 0/100} MD step = 381400 step time: 00:00:00.018027 Performance: 126.400 ns/day 0.190 hours/ns 7.315 steps/s 2023-04-08 02:24:28,458 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 381400 76280 50.721 -36070 5559.1 -41629 -41629 6.7704 3.1595 1.0046 6.1289e+05 2023-04-08 02:24:30,344 INFO [main.py:643]
{rank 0/100} MD step = 381500 step time: 00:00:00.017751 Performance: 126.383 ns/day 0.190 hours/ns 7.314 steps/s 2023-04-08 02:24:44,362 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 381500 76300 49.888 -36073 5467.7 -41541 -41541 6.7727 3.1609 1.0038 6.1305e+05 2023-04-08 02:24:46,174 INFO [main.py:643]
{rank 0/100} MD step = 381600 step time: 00:00:00.017982 Performance: 126.377 ns/day 0.190 hours/ns 7.314 steps/s 2023-04-08 02:25:29,568 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 381600 76320 50.368 -36153 5520.3 -41673 -41673 6.7743 3.1618 1.0015 6.132e+05 2023-04-08 02:25:31,570 INFO [main.py:643]
{rank 0/100} MD step = 381700 step time: 00:00:00.017824 Performance: 126.301 ns/day 0.190 hours/ns 7.309 steps/s 2023-04-08 02:26:12,855 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 381700 76340 49.995 -36168 5479.5 -41647 -41647 6.7761 3.1643 1.0009 6.1336e+05 2023-04-08 02:26:14,855 INFO [main.py:643]
{rank 0/100} MD step = 381800 step time: 00:00:00.018151 Performance: 126.229 ns/day 0.190 hours/ns 7.305 steps/s 2023-04-08 02:26:27,424 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 381800 76360 49.938 -36233 5473.3 -41706 -41706 6.7803 3.1655 1.0013 6.135e+05 2023-04-08 02:26:29,484 INFO [main.py:643]
{rank 0/100} MD step = 381900 step time: 00:00:00.017997 Performance: 126.227 ns/day 0.190 hours/ns 7.305 steps/s 2023-04-08 02:26:38,048 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 381900 76380 49.994 -36176 5479.4 -41655 -41655 6.7855 3.1666 0.99985 6.1367e+05 2023-04-08 02:26:39,924 INFO [main.py:643]
{rank 0/100} MD step = 382000 step time: 00:00:00.018086 Performance: 126.235 ns/day 0.190 hours/ns 7.305 steps/s 2023-04-08 02:26:57,218 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 382000 76400 50.195 -36179 5501.4 -41680 -41680 6.7884 3.1678 0.99985 6.1385e+05 2023-04-08 02:26:59,086 INFO [main.py:643]
{rank 0/100} MD step = 382100 step time: 00:00:00.017963 Performance: 126.221 ns/day 0.190 hours/ns 7.304 steps/s 2023-04-08 02:27:04,421 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 382100 76420 50.054 -36236 5486 -41722 -41722 6.7914 3.1704 1.0001 6.1401e+05 2023-04-08 02:27:06,368 INFO [main.py:643]
{rank 0/100} MD step = 382200 step time: 00:00:00.018033 Performance: 126.237 ns/day 0.190 hours/ns 7.305 steps/s 2023-04-08 02:27:18,571 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 382200 76440 49.409 -36333 5415.3 -41748 -41748 6.7934 3.1708 0.99997 6.1417e+05 2023-04-08 02:27:20,381 INFO [main.py:643]
{rank 0/100} MD step = 382300 step time: 00:00:00.018048 Performance: 126.236 ns/day 0.190 hours/ns 7.305 steps/s 2023-04-08 02:27:31,724 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 382300 76460 50.607 -36068 5546.6 -41615 -41615 6.7971 3.1717 1.0002 6.1435e+05 2023-04-08 02:27:33,603 INFO [main.py:643]
{rank 0/100} MD step = 382400 step time: 00:00:00.017958 Performance: 126.237 ns/day 0.190 hours/ns 7.305 steps/s 2023-04-08 02:27:46,616 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 382400 76480 50.621 -36118 5548.2 -41666 -41666 6.7986 3.1708 1.0007 6.145e+05 2023-04-08 02:27:52,643 INFO [main.py:643]
{rank 0/100} MD step = 382500 step time: 00:00:00.017996 Performance: 126.224 ns/day 0.190 hours/ns 7.305 steps/s 2023-04-08 02:28:02,163 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 382500 76500 49.359 -36253 5409.8 -41662 -41662 6.8015 3.1701 1.0007 6.1468e+05 2023-04-08 02:28:04,026 INFO [main.py:643]
{rank 0/100} MD step = 382600 step time: 00:00:00.018213 Performance: 126.230 ns/day 0.190 hours/ns 7.305 steps/s 2023-04-08 02:28:25,643 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 382600 76520 49.936 -36106 5473.1 -41579 -41579 6.8039 3.1714 0.99995 6.1484e+05 2023-04-08 02:28:27,513 INFO [main.py:643]
{rank 0/100} MD step = 382700 step time: 00:00:00.017967 Performance: 126.206 ns/day 0.190 hours/ns 7.304 steps/s 2023-04-08 02:28:44,574 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 382700 76540 49.482 -36172 5423.2 -41595 -41595 6.8045 3.1714 1 6.1501e+05 2023-04-08 02:28:46,443 INFO [main.py:643]
{rank 0/100} MD step = 382800 step time: 00:00:00.017897 Performance: 126.194 ns/day 0.190 hours/ns 7.303 steps/s 2023-04-08 02:28:56,251 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 382800 76560 50.181 -36168 5499.9 -41668 -41668 6.8065 3.1712 0.99913 6.1513e+05 2023-04-08 02:28:58,203 INFO [main.py:643]
{rank 0/100} MD step = 382900 step time: 00:00:00.018335 Performance: 126.198 ns/day 0.190 hours/ns 7.303 steps/s 2023-04-08 02:29:10,451 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 382900 76580 50.335 -36242 5516.7 -41759 -41759 6.81 3.1712 0.99993 6.1528e+05 2023-04-08 02:29:12,401 INFO [main.py:643]
{rank 0/100} MD step = 383000 step time: 00:00:00.018532 Performance: 126.197 ns/day 0.190 hours/ns 7.303 steps/s 2023-04-08 02:29:25,522 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 383000 76600 50.328 -36186 5516.1 -41702 -41702 6.8137 3.171 0.99935 6.1545e+05 2023-04-08 02:29:27,411 INFO [main.py:643]
{rank 0/100} MD step = 383100 step time: 00:00:00.017918 Performance: 126.194 ns/day 0.190 hours/ns 7.303 steps/s 2023-04-08 02:29:40,423 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 383100 76620 49.375 -36207 5411.5 -41619 -41619 6.8145 3.1701 1.0011 6.1561e+05 2023-04-08 02:29:42,298 INFO [main.py:643]
{rank 0/100} MD step = 383200 step time: 00:00:00.018026 Performance: 126.191 ns/day 0.190 hours/ns 7.303 steps/s 2023-04-08 02:29:55,877 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 383200 76640 50.13 -36111 5494.3 -41606 -41606 6.8179 3.1701 1.0018 6.1576e+05 2023-04-08 02:29:57,848 INFO [main.py:643]
{rank 0/100} MD step = 383300 step time: 00:00:00.024634 Performance: 126.187 ns/day 0.190 hours/ns 7.302 steps/s 2023-04-08 02:30:06,973 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 383300 76660 49.627 -36203 5439.1 -41642 -41642 6.819 3.17 1.0015 6.159e+05 2023-04-08 02:30:08,799 INFO [main.py:643]
{rank 0/100} MD step = 383400 step time: 00:00:00.018287 Performance: 126.193 ns/day 0.190 hours/ns 7.303 steps/s 2023-04-08 02:30:12,888 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 383400 76680 49.718 -36164 5449.2 -41613 -41613 6.8212 3.1706 1.0009 6.1606e+05 2023-04-08 02:30:18,777 INFO [main.py:643]
{rank 0/100} MD step = 383500 step time: 00:00:00.018008 Performance: 126.202 ns/day 0.190 hours/ns 7.303 steps/s 2023-04-08 02:30:34,313 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 383500 76700 50.408 -36039 5524.8 -41564 -41564 6.8239 3.1708 0.99998 6.1621e+05 2023-04-08 02:30:36,135 INFO [main.py:643]
{rank 0/100} MD step = 383600 step time: 00:00:00.017892 Performance: 126.193 ns/day 0.190 hours/ns 7.303 steps/s 2023-04-08 02:30:44,843 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 383600 76720 49.506 -36308 5425.9 -41734 -41734 6.8262 3.1725 0.99827 6.1635e+05 2023-04-08 02:30:46,749 INFO [main.py:643]
{rank 0/100} MD step = 383700 step time: 00:00:00.018132 Performance: 126.201 ns/day 0.190 hours/ns 7.303 steps/s 2023-04-08 02:30:59,849 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 383700 76740 50.404 -36274 5524.3 -41798 -41798 6.8288 3.1735 0.99747 6.1649e+05 2023-04-08 02:31:05,760 INFO [main.py:643]
{rank 0/100} MD step = 383800 step time: 00:00:00.018110 Performance: 126.188 ns/day 0.190 hours/ns 7.303 steps/s 2023-04-08 02:31:11,290 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 383800 76760 49.397 -36371 5414 -41785 -41785 6.8311 3.1748 0.99606 6.1665e+05 2023-04-08 02:31:13,189 INFO [main.py:643]
{rank 0/100} MD step = 383900 step time: 00:00:00.018009 Performance: 126.203 ns/day 0.190 hours/ns 7.303 steps/s 2023-04-08 02:31:17,177 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 383900 76780 49.873 -36278 5466.2 -41744 -41744 6.8343 3.175 0.99536 6.1683e+05 2023-04-08 02:31:19,173 INFO [main.py:643]
{rank 0/100} MD step = 384000 step time: 00:00:00.018134 Performance: 126.221 ns/day 0.190 hours/ns 7.304 steps/s 2023-04-08 02:31:32,217 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 384000 76800 49.939 -36109 5473.4 -41582 -41582 6.8374 3.1749 0.99627 6.1702e+05 2023-04-08 02:31:34,124 INFO [main.py:643]
{rank 0/100} MD step = 384100 step time: 00:00:00.018039 Performance: 126.218 ns/day 0.190 hours/ns 7.304 steps/s 2023-04-08 02:31:43,435 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 384100 76820 49.847 -36262 5463.3 -41725 -41725 6.8386 3.1756 0.99525 6.1715e+05 2023-04-08 02:31:45,385 INFO [main.py:643]
{rank 0/100} MD step = 384200 step time: 00:00:00.018012 Performance: 126.224 ns/day 0.190 hours/ns 7.305 steps/s 2023-04-08 02:31:49,284 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 384200 76840 50.712 -36005 5558.1 -41563 -41563 6.8462 3.1758 0.99588 6.1731e+05 2023-04-08 02:31:51,196 INFO [main.py:643]
{rank 0/100} MD step = 384300 step time: 00:00:00.017934 Performance: 126.243 ns/day 0.190 hours/ns 7.306 steps/s 2023-04-08 02:32:04,306 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 384300 76860 50.098 -36225 5490.8 -41716 -41716 6.8487 3.177 0.99448 6.1745e+05 2023-04-08 02:32:06,140 INFO [main.py:643]
{rank 0/100} MD step = 384400 step time: 00:00:00.018012 Performance: 126.240 ns/day 0.190 hours/ns 7.306 steps/s 2023-04-08 02:32:11,845 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 384400 76880 49.936 -36289 5473.1 -41762 -41762 6.8486 3.1767 0.99349 6.1762e+05 2023-04-08 02:32:13,872 INFO [main.py:643]
{rank 0/100} MD step = 384500 step time: 00:00:00.018274 Performance: 126.254 ns/day 0.190 hours/ns 7.306 steps/s 2023-04-08 02:32:34,335 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 384500 76900 50.036 -36303 5484 -41787 -41787 6.8493 3.1768 0.99247 6.1775e+05 2023-04-08 02:32:36,271 INFO [main.py:643]
{rank 0/100} MD step = 384600 step time: 00:00:00.018018 Performance: 126.234 ns/day 0.190 hours/ns 7.305 steps/s 2023-04-08 02:32:53,653 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 384600 76920 49.923 -36265 5471.6 -41736 -41736 6.8518 3.179 0.99364 6.1793e+05 2023-04-08 02:32:56,036 INFO [main.py:643]
{rank 0/100} MD step = 384700 step time: 00:00:00.018197 Performance: 126.219 ns/day 0.190 hours/ns 7.304 steps/s 2023-04-08 02:33:08,729 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 384700 76940 49.616 -36301 5437.9 -41739 -41739 6.8543 3.1803 0.99348 6.1808e+05 2023-04-08 02:33:10,543 INFO [main.py:643]
{rank 0/100} MD step = 384800 step time: 00:00:00.017928 Performance: 126.217 ns/day 0.190 hours/ns 7.304 steps/s 2023-04-08 02:33:25,883 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 384800 76960 49.476 -36293 5422.7 -41716 -41716 6.8539 3.1841 0.99251 6.1825e+05 2023-04-08 02:33:27,717 INFO [main.py:643]
{rank 0/100} MD step = 384900 step time: 00:00:00.017917 Performance: 126.209 ns/day 0.190 hours/ns 7.304 steps/s 2023-04-08 02:33:36,881 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 384900 76980 49.674 -36262 5444.4 -41706 -41706 6.8573 3.1846 0.99314 6.1841e+05 2023-04-08 02:33:38,693 INFO [main.py:643]
{rank 0/100} MD step = 385000 step time: 00:00:00.018133 Performance: 126.215 ns/day 0.190 hours/ns 7.304 steps/s 2023-04-08 02:34:01,281 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 385000 77000 49.896 -36227 5468.7 -41696 -41696 6.8616 3.1848 0.99382 6.1856e+05 2023-04-08 02:34:03,099 INFO [main.py:643]
{rank 0/100} MD step = 385100 step time: 00:00:00.017858 Performance: 126.190 ns/day 0.190 hours/ns 7.303 steps/s 2023-04-08 02:34:15,950 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 385100 77020 49.334 -36413 5407.1 -41820 -41820 6.8654 3.1855 0.99281 6.1869e+05 2023-04-08 02:34:18,358 INFO [main.py:643]
{rank 0/100} MD step = 385200 step time: 00:00:00.017873 Performance: 126.186 ns/day 0.190 hours/ns 7.302 steps/s 2023-04-08 02:34:37,161 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 385200 77040 50.582 -36162 5543.8 -41706 -41706 6.8681 3.1867 0.99354 6.1887e+05 2023-04-08 02:34:39,080 INFO [main.py:643]
{rank 0/100} MD step = 385300 step time: 00:00:00.018085 Performance: 126.169 ns/day 0.190 hours/ns 7.301 steps/s 2023-04-08 02:34:48,095 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 385300 77060 50.368 -36247 5520.4 -41767 -41767 6.8682 3.188 0.9935 6.1904e+05 2023-04-08 02:34:49,930 INFO [main.py:643]
{rank 0/100} MD step = 385400 step time: 00:00:00.017982 Performance: 126.176 ns/day 0.190 hours/ns 7.302 steps/s 2023-04-08 02:34:51,476 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 385400 77080 50.293 -36143 5512.2 -41656 -41656 6.87 3.1894 0.99272 6.1923e+05 2023-04-08 02:34:53,321 INFO [main.py:643]
{rank 0/100} MD step = 385500 step time: 00:00:00.018127 Performance: 126.200 ns/day 0.190 hours/ns 7.303 steps/s 2023-04-08 02:35:11,196 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 385500 77100 50.256 -36128 5508.2 -41636 -41636 6.872 3.1898 0.99465 6.194e+05 2023-04-08 02:35:13,026 INFO [main.py:643]
{rank 0/100} MD step = 385600 step time: 00:00:00.018191 Performance: 126.186 ns/day 0.190 hours/ns 7.302 steps/s 2023-04-08 02:35:26,181 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 385600 77120 49.669 -36390 5443.7 -41834 -41834 6.8757 3.1915 0.99366 6.1955e+05 2023-04-08 02:35:28,145 INFO [main.py:643]
{rank 0/100} MD step = 385700 step time: 00:00:00.018073 Performance: 126.183 ns/day 0.190 hours/ns 7.302 steps/s 2023-04-08 02:35:33,466 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 385700 77140 50.147 -36241 5496.1 -41737 -41737 6.8778 3.1912 0.99208 6.1971e+05 2023-04-08 02:35:35,815 INFO [main.py:643]
{rank 0/100} MD step = 385800 step time: 00:00:00.017986 Performance: 126.197 ns/day 0.190 hours/ns 7.303 steps/s 2023-04-08 02:36:00,521 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 385800 77160 49.797 -36269 5457.8 -41727 -41727 6.8807 3.1923 0.99249 6.1988e+05 2023-04-08 02:36:02,543 INFO [main.py:643]
{rank 0/100} MD step = 385900 step time: 00:00:00.018214 Performance: 126.166 ns/day 0.190 hours/ns 7.301 steps/s 2023-04-08 02:36:11,426 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 385900 77180 50.588 -36149 5544.5 -41693 -41693 6.8838 3.1926 0.99228 6.2005e+05 2023-04-08 02:36:13,459 INFO [main.py:643]
{rank 0/100} MD step = 386000 step time: 00:00:00.024545 Performance: 126.173 ns/day 0.190 hours/ns 7.302 steps/s 2023-04-08 02:36:23,020 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 386000 77200 50.435 -36211 5527.7 -41739 -41739 6.885 3.1919 0.99141 6.2022e+05 2023-04-08 02:36:28,023 INFO [main.py:643]
{rank 0/100} MD step = 386100 step time: 00:00:00.018075 Performance: 126.170 ns/day 0.190 hours/ns 7.302 steps/s 2023-04-08 02:36:39,545 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 386100 77220 49.97 -36217 5476.8 -41694 -41694 6.8852 3.1925 0.99156 6.2035e+05 2023-04-08 02:36:41,407 INFO [main.py:643]
{rank 0/100} MD step = 386200 step time: 00:00:00.018038 Performance: 126.171 ns/day 0.190 hours/ns 7.302 steps/s 2023-04-08 02:36:54,333 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 386200 77240 50.236 -36282 5505.9 -41788 -41788 6.8882 3.1933 0.99218 6.205e+05 2023-04-08 02:36:56,360 INFO [main.py:643]
{rank 0/100} MD step = 386300 step time: 00:00:00.018131 Performance: 126.168 ns/day 0.190 hours/ns 7.301 steps/s 2023-04-08 02:37:05,145 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 386300 77260 49.565 -36292 5432.4 -41724 -41724 6.8881 3.1938 0.99187 6.2067e+05 2023-04-08 02:37:07,013 INFO [main.py:643]
{rank 0/100} MD step = 386400 step time: 00:00:00.018133 Performance: 126.175 ns/day 0.190 hours/ns 7.302 steps/s 2023-04-08 02:37:20,503 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 386400 77280 50.087 -36266 5489.6 -41755 -41755 6.8918 3.1934 0.99248 6.208e+05 2023-04-08 02:37:22,663 INFO [main.py:643]
{rank 0/100} MD step = 386500 step time: 00:00:00.017975 Performance: 126.171 ns/day 0.190 hours/ns 7.302 steps/s 2023-04-08 02:37:31,552 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 386500 77300 49.748 -36256 5452.4 -41709 -41709 6.8938 3.195 0.99247 6.2099e+05 2023-04-08 02:37:33,359 INFO [main.py:643]
{rank 0/100} MD step = 386600 step time: 00:00:00.018147 Performance: 126.178 ns/day 0.190 hours/ns 7.302 steps/s 2023-04-08 02:37:41,578 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 386600 77320 49.299 -36297 5403.3 -41700 -41700 6.8972 3.195 0.99138 6.2116e+05 2023-04-08 02:37:44,559 INFO [main.py:643]
{rank 0/100} MD step = 386700 step time: 00:00:00.017926 Performance: 126.184 ns/day 0.190 hours/ns 7.302 steps/s 2023-04-08 02:37:56,931 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 386700 77340 50.211 -36114 5503.2 -41617 -41617 6.9 3.1968 0.99007 6.2133e+05 2023-04-08 02:37:58,828 INFO [main.py:643]
{rank 0/100} MD step = 386800 step time: 00:00:00.017899 Performance: 126.183 ns/day 0.190 hours/ns 7.302 steps/s 2023-04-08 02:38:07,689 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 386800 77360 49.629 -36303 5439.4 -41743 -41743 6.9028 3.1983 0.98974 6.2147e+05 2023-04-08 02:38:09,610 INFO [main.py:643]
{rank 0/100} MD step = 386900 step time: 00:00:00.018175 Performance: 126.189 ns/day 0.190 hours/ns 7.303 steps/s 2023-04-08 02:38:10,709 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 386900 77380 49.859 -36166 5464.6 -41631 -41631 6.9027 3.1994 0.98961 6.2163e+05 2023-04-08 02:38:12,668 INFO [main.py:643]
{rank 0/100} MD step = 387000 step time: 00:00:00.018735 Performance: 126.215 ns/day 0.190 hours/ns 7.304 steps/s 2023-04-08 02:38:28,778 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 387000 77400 50.138 -36206 5495.1 -41701 -41701 6.9035 3.1997 0.98733 6.2179e+05 2023-04-08 02:38:30,704 INFO [main.py:643]
{rank 0/100} MD step = 387100 step time: 00:00:00.017924 Performance: 126.204 ns/day 0.190 hours/ns 7.303 steps/s 2023-04-08 02:38:43,782 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 387100 77420 49.769 -36182 5454.8 -41637 -41637 6.9036 3.1998 0.98793 6.2199e+05 2023-04-08 02:38:49,657 INFO [main.py:643]
{rank 0/100} MD step = 387200 step time: 00:00:00.018052 Performance: 126.192 ns/day 0.190 hours/ns 7.303 steps/s 2023-04-08 02:39:20,276 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 387200 77440 50.231 -36145 5505.4 -41650 -41650 6.9054 3.1992 0.98701 6.2212e+05 2023-04-08 02:39:22,167 INFO [main.py:643]
{rank 0/100} MD step = 387300 step time: 00:00:00.018122 Performance: 126.147 ns/day 0.190 hours/ns 7.300 steps/s 2023-04-08 02:39:40,320 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 387300 77460 50.482 -36121 5532.9 -41654 -41654 6.9066 3.2005 0.98767 6.2229e+05 2023-04-08 02:39:42,178 INFO [main.py:643]
{rank 0/100} MD step = 387400 step time: 00:00:00.018091 Performance: 126.132 ns/day 0.190 hours/ns 7.299 steps/s 2023-04-08 02:39:46,545 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 387400 77480 49.641 -36249 5440.7 -41689 -41689 6.9102 3.202 0.98907 6.2246e+05 2023-04-08 02:39:48,444 INFO [main.py:643]
{rank 0/100} MD step = 387500 step time: 00:00:00.018104 Performance: 126.150 ns/day 0.190 hours/ns 7.300 steps/s 2023-04-08 02:40:01,100 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 387500 77500 49.67 -36304 5443.8 -41748 -41748 6.9128 3.2017 0.98872 6.2261e+05 2023-04-08 02:40:03,015 INFO [main.py:643]
{rank 0/100} MD step = 387600 step time: 00:00:00.017968 Performance: 126.148 ns/day 0.190 hours/ns 7.300 steps/s 2023-04-08 02:40:16,383 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 387600 77520 50.496 -36207 5534.4 -41741 -41741 6.9163 3.2023 0.98866 6.228e+05 2023-04-08 02:40:18,400 INFO [main.py:643]
{rank 0/100} MD step = 387700 step time: 00:00:00.017946 Performance: 126.144 ns/day 0.190 hours/ns 7.300 steps/s 2023-04-08 02:40:52,410 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 387700 77540 49.569 -36320 5432.8 -41753 -41753 6.9158 3.2035 0.99049 6.2296e+05 2023-04-08 02:40:54,250 INFO [main.py:643]
{rank 0/100} MD step = 387800 step time: 00:00:00.017971 Performance: 126.091 ns/day 0.190 hours/ns 7.297 steps/s 2023-04-08 02:41:09,656 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 387800 77560 49.559 -36378 5431.7 -41810 -41810 6.9151 3.203 0.99068 6.231e+05 2023-04-08 02:41:11,715 INFO [main.py:643]
{rank 0/100} MD step = 387900 step time: 00:00:00.018066 Performance: 126.082 ns/day 0.190 hours/ns 7.296 steps/s 2023-04-08 02:41:25,035 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 387900 77580 50.267 -36104 5509.4 -41613 -41613 6.9167 3.2032 0.99114 6.2327e+05 2023-04-08 02:41:26,898 INFO [main.py:643]
{rank 0/100} MD step = 388000 step time: 00:00:00.018520 Performance: 126.079 ns/day 0.190 hours/ns 7.296 steps/s 2023-04-08 02:41:52,744 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 388000 77600 49.866 -36215 5465.4 -41681 -41681 6.9196 3.2034 0.99094 6.2344e+05 2023-04-08 02:41:58,727 INFO [main.py:643]
{rank 0/100} MD step = 388100 step time: 00:00:00.018027 Performance: 126.036 ns/day 0.190 hours/ns 7.294 steps/s 2023-04-08 02:42:02,153 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 388100 77620 49.898 -36324 5468.9 -41793 -41793 6.9208 3.2045 0.99154 6.2359e+05 2023-04-08 02:42:07,539 INFO [main.py:643]
{rank 0/100} MD step = 388200 step time: 00:00:00.017982 Performance: 126.047 ns/day 0.190 hours/ns 7.294 steps/s 2023-04-08 02:42:16,528 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 388200 77640 49.722 -36206 5449.6 -41656 -41656 6.9236 3.2049 0.98929 6.2379e+05 2023-04-08 02:42:18,412 INFO [main.py:643]
{rank 0/100} MD step = 388300 step time: 00:00:00.018078 Performance: 126.054 ns/day 0.190 hours/ns 7.295 steps/s 2023-04-08 02:42:22,847 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 388300 77660 50.691 -36107 5555.8 -41663 -41663 6.9242 3.2061 0.98767 6.2395e+05 2023-04-08 02:42:24,776 INFO [main.py:643]
{rank 0/100} MD step = 388400 step time: 00:00:00.018027 Performance: 126.072 ns/day 0.190 hours/ns 7.296 steps/s 2023-04-08 02:42:42,065 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 388400 77680 49.774 -36217 5455.3 -41673 -41673 6.9259 3.2061 0.98863 6.2411e+05 2023-04-08 02:42:43,974 INFO [main.py:643]
{rank 0/100} MD step = 388500 step time: 00:00:00.017934 Performance: 126.059 ns/day 0.190 hours/ns 7.295 steps/s 2023-04-08 02:43:01,908 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 388500 77700 50.591 -36101 5544.8 -41646 -41646 6.9277 3.2078 0.98993 6.2425e+05 2023-04-08 02:43:03,839 INFO [main.py:643]
{rank 0/100} MD step = 388600 step time: 00:00:00.018110 Performance: 126.044 ns/day 0.190 hours/ns 7.294 steps/s 2023-04-08 02:43:25,190 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 388600 77720 50.32 -36259 5515.1 -41774 -41774 6.9305 3.2079 0.98897 6.2439e+05 2023-04-08 02:43:27,003 INFO [main.py:643]
{rank 0/100} MD step = 388700 step time: 00:00:00.017985 Performance: 126.022 ns/day 0.190 hours/ns 7.293 steps/s 2023-04-08 02:43:28,357 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 388700 77740 49.687 -36234 5445.7 -41680 -41680 6.93 3.2087 0.98897 6.2455e+05 2023-04-08 02:43:30,518 INFO [main.py:643]
{rank 0/100} MD step = 388800 step time: 00:00:00.017797 Performance: 126.046 ns/day 0.190 hours/ns 7.294 steps/s 2023-04-08 02:43:48,471 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 388800 77760 50.179 -36158 5499.7 -41658 -41658 6.9312 3.2093 0.98598 6.247e+05 2023-04-08 02:43:50,414 INFO [main.py:643]
{rank 0/100} MD step = 388900 step time: 00:00:00.018148 Performance: 126.031 ns/day 0.190 hours/ns 7.293 steps/s 2023-04-08 02:43:59,606 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 388900 77780 49.851 -36271 5463.8 -41735 -41735 6.9313 3.2098 0.98493 6.2487e+05 2023-04-08 02:44:02,077 INFO [main.py:643]
{rank 0/100} MD step = 389000 step time: 00:00:00.017875 Performance: 126.036 ns/day 0.190 hours/ns 7.294 steps/s 2023-04-08 02:44:18,797 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 389000 77800 50.065 -36313 5487.2 -41801 -41801 6.9318 3.2107 0.98402 6.2504e+05 2023-04-08 02:44:20,635 INFO [main.py:643]
{rank 0/100} MD step = 389100 step time: 00:00:00.017961 Performance: 126.024 ns/day 0.190 hours/ns 7.293 steps/s 2023-04-08 02:44:30,052 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 389100 77820 49.434 -36235 5418 -41653 -41653 6.9348 3.212 0.9824 6.2521e+05 2023-04-08 02:44:31,921 INFO [main.py:643]
{rank 0/100} MD step = 389200 step time: 00:00:00.017954 Performance: 126.030 ns/day 0.190 hours/ns 7.293 steps/s 2023-04-08 02:44:48,612 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 389200 77840 50.286 -36250 5511.4 -41762 -41762 6.9366 3.213 0.98254 6.2535e+05 2023-04-08 02:44:50,445 INFO [main.py:643]
{rank 0/100} MD step = 389300 step time: 00:00:00.018017 Performance: 126.019 ns/day 0.190 hours/ns 7.293 steps/s 2023-04-08 02:44:57,897 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 389300 77860 49.403 -36258 5414.6 -41673 -41673 6.9391 3.2125 0.98184 6.2555e+05 2023-04-08 02:44:59,715 INFO [main.py:643]
{rank 0/100} MD step = 389400 step time: 00:00:00.018137 Performance: 126.029 ns/day 0.190 hours/ns 7.293 steps/s 2023-04-08 02:45:08,079 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 389400 77880 49.384 -36315 5412.5 -41727 -41727 6.9409 3.2128 0.98067 6.2568e+05 2023-04-08 02:45:10,024 INFO [main.py:643]
{rank 0/100} MD step = 389500 step time: 00:00:00.018002 Performance: 126.037 ns/day 0.190 hours/ns 7.294 steps/s 2023-04-08 02:45:19,518 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 389500 77900 49.732 -36207 5450.6 -41658 -41658 6.943 3.2137 0.97872 6.2587e+05 2023-04-08 02:45:21,476 INFO [main.py:643]
{rank 0/100} MD step = 389600 step time: 00:00:00.018119 Performance: 126.043 ns/day 0.190 hours/ns 7.294 steps/s 2023-04-08 02:45:34,558 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 389600 77920 50.344 -36265 5517.7 -41782 -41782 6.9451 3.2156 0.97636 6.26e+05 2023-04-08 02:45:39,865 INFO [main.py:643]
{rank 0/100} MD step = 389700 step time: 00:00:00.017969 Performance: 126.032 ns/day 0.190 hours/ns 7.293 steps/s 2023-04-08 02:45:44,970 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 389700 77940 49.88 -36185 5466.9 -41652 -41652 6.9498 3.2171 0.97419 6.2616e+05 2023-04-08 02:45:46,913 INFO [main.py:643]
{rank 0/100} MD step = 389800 step time: 00:00:00.017966 Performance: 126.047 ns/day 0.190 hours/ns 7.294 steps/s 2023-04-08 02:45:55,657 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 389800 77960 50.082 -36217 5489 -41707 -41707 6.9523 3.2187 0.9735 6.263e+05 2023-04-08 02:45:57,525 INFO [main.py:643]
{rank 0/100} MD step = 389900 step time: 00:00:00.018068 Performance: 126.055 ns/day 0.190 hours/ns 7.295 steps/s 2023-04-08 02:46:10,689 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 389900 77980 49.819 -36256 5460.3 -41716 -41716 6.9543 3.2202 0.9717 6.2648e+05 2023-04-08 02:46:12,525 INFO [main.py:643]
{rank 0/100} MD step = 390000 step time: 00:00:00.018077 Performance: 126.052 ns/day 0.190 hours/ns 7.295 steps/s 2023-04-08 02:46:14,135 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 390000 78000 49.616 -36257 5438 -41695 -41695 6.955 3.2216 0.97202 6.2663e+05 2023-04-08 02:46:16,573 INFO [main.py:643]
{rank 0/100} MD step = 390100 step time: 00:00:00.017950 Performance: 126.074 ns/day 0.190 hours/ns 7.296 steps/s 2023-04-08 02:46:25,856 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 390100 78020 50.414 -36199 5525.5 -41725 -41725 6.9585 3.2201 0.97221 6.268e+05 2023-04-08 02:46:27,767 INFO [main.py:643]
{rank 0/100} MD step = 390200 step time: 00:00:00.018085 Performance: 126.080 ns/day 0.190 hours/ns 7.296 steps/s 2023-04-08 02:46:41,798 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 390200 78040 50.039 -36265 5484.4 -41749 -41749 6.9611 3.2201 0.96981 6.2696e+05 2023-04-08 02:46:43,859 INFO [main.py:643]
{rank 0/100} MD step = 390300 step time: 00:00:00.018164 Performance: 126.075 ns/day 0.190 hours/ns 7.296 steps/s 2023-04-08 02:46:47,767 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 390300 78060 50.162 -36172 5497.9 -41670 -41670 6.9614 3.2222 0.96916 6.2715e+05 2023-04-08 02:46:49,640 INFO [main.py:643]
{rank 0/100} MD step = 390400 step time: 00:00:00.018100 Performance: 126.093 ns/day 0.190 hours/ns 7.297 steps/s 2023-04-08 02:47:06,681 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 390400 78080 49.629 -36306 5439.4 -41745 -41745 6.9616 3.2232 0.96797 6.273e+05 2023-04-08 02:47:08,553 INFO [main.py:643]
{rank 0/100} MD step = 390500 step time: 00:00:00.018412 Performance: 126.081 ns/day 0.190 hours/ns 7.296 steps/s 2023-04-08 02:47:17,157 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 390500 78100 49.724 -36256 5449.8 -41706 -41706 6.961 3.2246 0.96717 6.2748e+05 2023-04-08 02:47:19,161 INFO [main.py:643]
{rank 0/100} MD step = 390600 step time: 00:00:00.018053 Performance: 126.088 ns/day 0.190 hours/ns 7.297 steps/s 2023-04-08 02:47:36,685 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 390600 78120 49.876 -36202 5466.5 -41669 -41669 6.9632 3.2265 0.96706 6.2764e+05 2023-04-08 02:47:38,537 INFO [main.py:643]
{rank 0/100} MD step = 390700 step time: 00:00:00.017834 Performance: 126.075 ns/day 0.190 hours/ns 7.296 steps/s 2023-04-08 02:47:59,806 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 390700 78140 49.275 -36169 5400.6 -41569 -41569 6.9668 3.2279 0.96619 6.2782e+05 2023-04-08 02:48:01,688 INFO [main.py:643]
{rank 0/100} MD step = 390800 step time: 00:00:00.018172 Performance: 126.053 ns/day 0.190 hours/ns 7.295 steps/s 2023-04-08 02:48:10,728 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 390800 78160 50.305 -36087 5513.5 -41601 -41601 6.9691 3.229 0.96716 6.2803e+05 2023-04-08 02:48:12,695 INFO [main.py:643]
{rank 0/100} MD step = 390900 step time: 00:00:00.018040 Performance: 126.059 ns/day 0.190 hours/ns 7.295 steps/s 2023-04-08 02:48:29,814 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 390900 78180 50.171 -36243 5498.8 -41742 -41742 6.9698 3.2307 0.96634 6.2817e+05 2023-04-08 02:48:31,712 INFO [main.py:643]
{rank 0/100} MD step = 391000 step time: 00:00:00.018164 Performance: 126.047 ns/day 0.190 hours/ns 7.294 steps/s 2023-04-08 02:48:43,222 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 391000 78200 49.934 -36210 5472.9 -41683 -41683 6.9729 3.2322 0.96547 6.2833e+05 2023-04-08 02:48:45,156 INFO [main.py:643]
{rank 0/100} MD step = 391100 step time: 00:00:00.017971 Performance: 126.047 ns/day 0.190 hours/ns 7.294 steps/s 2023-04-08 02:49:02,261 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 391100 78220 50.854 -36114 5573.7 -41688 -41688 6.9735 3.234 0.96383 6.2854e+05 2023-04-08 02:49:04,172 INFO [main.py:643]
{rank 0/100} MD step = 391200 step time: 00:00:00.019820 Performance: 126.035 ns/day 0.190 hours/ns 7.294 steps/s 2023-04-08 02:49:05,645 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 391200 78240 49.739 -36318 5451.5 -41769 -41769 6.9758 3.2339 0.96328 6.2863e+05 2023-04-08 02:49:07,537 INFO [main.py:643]
{rank 0/100} MD step = 391300 step time: 00:00:00.018060 Performance: 126.059 ns/day 0.190 hours/ns 7.295 steps/s 2023-04-08 02:49:24,177 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 391300 78260 50.596 -36151 5545.4 -41697 -41697 6.9776 3.2342 0.96224 6.2881e+05 2023-04-08 02:49:26,066 INFO [main.py:643]
{rank 0/100} MD step = 391400 step time: 00:00:00.017893 Performance: 126.048 ns/day 0.190 hours/ns 7.294 steps/s 2023-04-08 02:49:38,803 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 391400 78280 50.454 -36168 5529.8 -41698 -41698 6.9782 3.235 0.9618 6.2894e+05 2023-04-08 02:49:44,628 INFO [main.py:643]
{rank 0/100} MD step = 391500 step time: 00:00:00.018036 Performance: 126.036 ns/day 0.190 hours/ns 7.294 steps/s 2023-04-08 02:50:09,506 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 391500 78300 50.78 -36179 5565.5 -41744 -41744 6.9804 3.236 0.96262 6.2912e+05 2023-04-08 02:50:11,405 INFO [main.py:643]
{rank 0/100} MD step = 391600 step time: 00:00:00.018000 Performance: 126.006 ns/day 0.190 hours/ns 7.292 steps/s 2023-04-08 02:50:23,955 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 391600 78320 49.22 -36305 5394.5 -41699 -41699 6.9813 3.2376 0.96324 6.2929e+05 2023-04-08 02:50:25,802 INFO [main.py:643]
{rank 0/100} MD step = 391700 step time: 00:00:00.018265 Performance: 126.004 ns/day 0.190 hours/ns 7.292 steps/s 2023-04-08 02:50:38,685 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 391700 78340 49.84 -36145 5462.5 -41607 -41607 6.9813 3.2406 0.96219 6.2948e+05 2023-04-08 02:50:40,530 INFO [main.py:643]
{rank 0/100} MD step = 391800 step time: 00:00:00.017936 Performance: 126.002 ns/day 0.190 hours/ns 7.292 steps/s 2023-04-08 02:50:54,051 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 391800 78360 49.676 -36295 5444.6 -41739 -41739 6.9834 3.2405 0.9632 6.2963e+05 2023-04-08 02:50:55,931 INFO [main.py:643]
{rank 0/100} MD step = 391900 step time: 00:00:00.017909 Performance: 125.998 ns/day 0.190 hours/ns 7.292 steps/s 2023-04-08 02:51:09,978 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 391900 78380 50.066 -36257 5487.3 -41744 -41744 6.9838 3.2407 0.96251 6.2978e+05 2023-04-08 02:51:11,822 INFO [main.py:643]
{rank 0/100} MD step = 392000 step time: 00:00:00.017870 Performance: 125.993 ns/day 0.190 hours/ns 7.291 steps/s 2023-04-08 02:51:32,979 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 392000 78400 49.883 -36281 5467.3 -41749 -41749 6.988 3.2405 0.96172 6.2994e+05 2023-04-08 02:51:34,908 INFO [main.py:643]
{rank 0/100} MD step = 392100 step time: 00:00:00.017996 Performance: 125.971 ns/day 0.191 hours/ns 7.290 steps/s 2023-04-08 02:51:51,872 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 392100 78420 49.727 -36295 5450.1 -41745 -41745 6.9919 3.2407 0.96091 6.3011e+05 2023-04-08 02:51:57,796 INFO [main.py:643]
{rank 0/100} MD step = 392200 step time: 00:00:00.017871 Performance: 125.949 ns/day 0.191 hours/ns 7.289 steps/s 2023-04-08 02:52:17,540 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 392200 78440 49.97 -36187 5476.8 -41664 -41664 6.9957 3.242 0.96006 6.3026e+05 2023-04-08 02:52:19,416 INFO [main.py:643]
{rank 0/100} MD step = 392300 step time: 00:00:00.018269 Performance: 125.931 ns/day 0.191 hours/ns 7.288 steps/s 2023-04-08 02:52:33,369 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 392300 78460 49.932 -36305 5472.6 -41778 -41778 6.9948 3.2433 0.95915 6.3045e+05 2023-04-08 02:52:35,180 INFO [main.py:643]
{rank 0/100} MD step = 392400 step time: 00:00:00.018197 Performance: 125.926 ns/day 0.191 hours/ns 7.287 steps/s 2023-04-08 02:52:43,804 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 392400 78480 50.455 -36131 5529.9 -41661 -41661 6.9966 3.2451 0.95758 6.3062e+05 2023-04-08 02:52:45,711 INFO [main.py:643]
{rank 0/100} MD step = 392500 step time: 00:00:00.018063 Performance: 125.933 ns/day 0.191 hours/ns 7.288 steps/s 2023-04-08 02:53:02,920 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 392500 78500 49.876 -36307 5466.5 -41774 -41774 6.9966 3.2473 0.95581 6.3075e+05 2023-04-08 02:53:04,788 INFO [main.py:643]
{rank 0/100} MD step = 392600 step time: 00:00:00.017981 Performance: 125.921 ns/day 0.191 hours/ns 7.287 steps/s 2023-04-08 02:53:22,848 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 392600 78520 50.443 -36195 5528.6 -41723 -41723 6.9972 3.2486 0.95431 6.3092e+05 2023-04-08 02:53:24,685 INFO [main.py:643]
{rank 0/100} MD step = 392700 step time: 00:00:00.017996 Performance: 125.907 ns/day 0.191 hours/ns 7.286 steps/s 2023-04-08 02:53:59,017 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 392700 78540 49.506 -36349 5425.9 -41775 -41775 6.9993 3.2484 0.95485 6.3107e+05 2023-04-08 02:54:00,960 INFO [main.py:643]
{rank 0/100} MD step = 392800 step time: 00:00:00.018082 Performance: 125.854 ns/day 0.191 hours/ns 7.283 steps/s 2023-04-08 02:54:17,638 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 392800 78560 50.081 -36145 5489 -41634 -41634 7.0007 3.2476 0.95498 6.3126e+05 2023-04-08 02:54:19,534 INFO [main.py:643]
{rank 0/100} MD step = 392900 step time: 00:00:00.017895 Performance: 125.843 ns/day 0.191 hours/ns 7.283 steps/s 2023-04-08 02:54:24,745 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 392900 78580 50.73 -36165 5560 -41725 -41725 7.0017 3.2481 0.95546 6.314e+05 2023-04-08 02:54:26,555 INFO [main.py:643]
{rank 0/100} MD step = 393000 step time: 00:00:00.018006 Performance: 125.858 ns/day 0.191 hours/ns 7.283 steps/s 2023-04-08 02:54:34,966 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 393000 78600 49.725 -36327 5449.9 -41777 -41777 7.0035 3.2483 0.95623 6.3152e+05 2023-04-08 02:54:36,875 INFO [main.py:643]
{rank 0/100} MD step = 393100 step time: 00:00:00.018201 Performance: 125.866 ns/day 0.191 hours/ns 7.284 steps/s 2023-04-08 02:54:42,012 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 393100 78620 50.318 -36207 5514.9 -41722 -41722 7.004 3.2489 0.95607 6.317e+05 2023-04-08 02:54:43,884 INFO [main.py:643]
{rank 0/100} MD step = 393200 step time: 00:00:00.017976 Performance: 125.882 ns/day 0.191 hours/ns 7.285 steps/s 2023-04-08 02:54:50,126 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 393200 78640 50.163 -36147 5497.9 -41645 -41645 7.0067 3.2494 0.95613 6.3187e+05 2023-04-08 02:54:51,964 INFO [main.py:643]
{rank 0/100} MD step = 393300 step time: 00:00:00.018096 Performance: 125.895 ns/day 0.191 hours/ns 7.286 steps/s 2023-04-08 02:55:13,730 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 393300 78660 50.184 -36275 5500.2 -41776 -41776 7.0099 3.2515 0.9563 6.32e+05 2023-04-08 02:55:15,595 INFO [main.py:643]
{rank 0/100} MD step = 393400 step time: 00:00:00.017928 Performance: 125.872 ns/day 0.191 hours/ns 7.284 steps/s 2023-04-08 02:55:20,651 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 393400 78680 50.037 -36142 5484.2 -41627 -41627 7.0109 3.2531 0.9574 6.3217e+05 2023-04-08 02:55:22,478 INFO [main.py:643]
{rank 0/100} MD step = 393500 step time: 00:00:00.018150 Performance: 125.888 ns/day 0.191 hours/ns 7.285 steps/s 2023-04-08 02:55:39,514 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 393500 78700 50.848 -36124 5573 -41697 -41697 7.0123 3.254 0.9575 6.3232e+05 2023-04-08 02:55:41,491 INFO [main.py:643]
{rank 0/100} MD step = 393600 step time: 00:00:00.017948 Performance: 125.876 ns/day 0.191 hours/ns 7.284 steps/s 2023-04-08 02:56:11,877 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 393600 78720 50.428 -36254 5527 -41781 -41781 7.016 3.2552 0.95737 6.3245e+05 2023-04-08 02:56:13,887 INFO [main.py:643]
{rank 0/100} MD step = 393700 step time: 00:00:00.017914 Performance: 125.832 ns/day 0.191 hours/ns 7.282 steps/s 2023-04-08 02:56:31,134 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 393700 78740 49.623 -36219 5438.7 -41657 -41657 7.0171 3.2555 0.95666 6.3262e+05 2023-04-08 02:56:33,094 INFO [main.py:643]
{rank 0/100} MD step = 393800 step time: 00:00:00.017926 Performance: 125.819 ns/day 0.191 hours/ns 7.281 steps/s 2023-04-08 02:56:41,968 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 393800 78760 50.232 -36247 5505.5 -41753 -41753 7.0183 3.2556 0.95693 6.3278e+05 2023-04-08 02:56:43,818 INFO [main.py:643]
{rank 0/100} MD step = 393900 step time: 00:00:00.018015 Performance: 125.826 ns/day 0.191 hours/ns 7.282 steps/s 2023-04-08 02:56:56,874 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 393900 78780 50.379 -36253 5521.6 -41775 -41775 7.0179 3.2558 0.95631 6.3292e+05 2023-04-08 02:56:58,981 INFO [main.py:643]
{rank 0/100} MD step = 394000 step time: 00:00:00.018009 Performance: 125.823 ns/day 0.191 hours/ns 7.281 steps/s 2023-04-08 02:57:16,090 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 394000 78800 49.651 -36262 5441.8 -41704 -41704 7.0186 3.257 0.95602 6.331e+05 2023-04-08 02:57:18,126 INFO [main.py:643]
{rank 0/100} MD step = 394100 step time: 00:00:00.017958 Performance: 125.810 ns/day 0.191 hours/ns 7.281 steps/s 2023-04-08 02:57:39,616 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 394100 78820 49.491 -36256 5424.3 -41680 -41680 7.0203 3.2566 0.95537 6.3328e+05 2023-04-08 02:57:41,463 INFO [main.py:643]
{rank 0/100} MD step = 394200 step time: 00:00:00.018112 Performance: 125.788 ns/day 0.191 hours/ns 7.279 steps/s 2023-04-08 02:57:55,197 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 394200 78840 49.889 -36237 5467.9 -41705 -41705 7.0208 3.2582 0.95453 6.3345e+05 2023-04-08 02:57:57,123 INFO [main.py:643]
{rank 0/100} MD step = 394300 step time: 00:00:00.017923 Performance: 125.784 ns/day 0.191 hours/ns 7.279 steps/s 2023-04-08 02:58:06,457 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 394300 78860 49.578 -36192 5433.8 -41625 -41625 7.0205 3.2588 0.95563 6.336e+05 2023-04-08 02:58:08,389 INFO [main.py:643]
{rank 0/100} MD step = 394400 step time: 00:00:00.018518 Performance: 125.789 ns/day 0.191 hours/ns 7.279 steps/s 2023-04-08 02:58:16,781 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 394400 78880 50.234 -36303 5505.7 -41809 -41809 7.0244 3.2585 0.95452 6.337e+05 2023-04-08 02:58:18,627 INFO [main.py:643]
{rank 0/100} MD step = 394500 step time: 00:00:00.018207 Performance: 125.798 ns/day 0.191 hours/ns 7.280 steps/s 2023-04-08 02:58:35,527 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 394500 78900 50.475 -36232 5532.2 -41765 -41765 7.0247 3.2602 0.95533 6.3389e+05 2023-04-08 02:58:37,498 INFO [main.py:643]
{rank 0/100} MD step = 394600 step time: 00:00:00.018004 Performance: 125.786 ns/day 0.191 hours/ns 7.279 steps/s 2023-04-08 02:58:46,524 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 394600 78920 50.337 -36181 5517 -41698 -41698 7.0262 3.2605 0.95529 6.3405e+05 2023-04-08 02:58:48,468 INFO [main.py:643]
{rank 0/100} MD step = 394700 step time: 00:00:00.017999 Performance: 125.792 ns/day 0.191 hours/ns 7.280 steps/s 2023-04-08 02:59:05,999 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 394700 78940 50.222 -36092 5504.3 -41596 -41596 7.0278 3.2625 0.95458 6.342e+05 2023-04-08 02:59:07,852 INFO [main.py:643]
{rank 0/100} MD step = 394800 step time: 00:00:00.025631 Performance: 125.779 ns/day 0.191 hours/ns 7.279 steps/s 2023-04-08 02:59:13,172 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 394800 78960 50.241 -36133 5506.5 -41639 -41639 7.032 3.2633 0.95392 6.3436e+05 2023-04-08 02:59:15,076 INFO [main.py:643]
{rank 0/100} MD step = 394900 step time: 00:00:00.017981 Performance: 125.794 ns/day 0.191 hours/ns 7.280 steps/s 2023-04-08 02:59:35,703 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 394900 78980 50.002 -36185 5480.2 -41665 -41665 7.0321 3.2645 0.95516 6.3449e+05 2023-04-08 02:59:37,637 INFO [main.py:643]
{rank 0/100} MD step = 395000 step time: 00:00:00.017936 Performance: 125.774 ns/day 0.191 hours/ns 7.279 steps/s 2023-04-08 02:59:59,521 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 395000 79000 50.812 -36143 5569 -41712 -41712 7.0321 3.2654 0.95497 6.3466e+05 2023-04-08 03:00:05,440 INFO [main.py:643]
{rank 0/100} MD step = 395100 step time: 00:00:00.017960 Performance: 125.741 ns/day 0.191 hours/ns 7.277 steps/s 2023-04-08 03:00:18,741 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 395100 79020 49.758 -36221 5453.5 -41675 -41675 7.034 3.2661 0.95316 6.3481e+05 2023-04-08 03:00:20,638 INFO [main.py:643]
{rank 0/100} MD step = 395200 step time: 00:00:00.017922 Performance: 125.738 ns/day 0.191 hours/ns 7.276 steps/s 2023-04-08 03:00:42,439 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 395200 79040 49.637 -36274 5440.3 -41715 -41715 7.0371 3.267 0.9508 6.3496e+05 2023-04-08 03:00:44,274 INFO [main.py:643]
{rank 0/100} MD step = 395300 step time: 00:00:00.017978 Performance: 125.715 ns/day 0.191 hours/ns 7.275 steps/s 2023-04-08 03:00:57,488 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 395300 79060 49.973 -36275 5477.1 -41752 -41752 7.0402 3.2669 0.94967 6.351e+05 2023-04-08 03:00:59,402 INFO [main.py:643]
{rank 0/100} MD step = 395400 step time: 00:00:00.018126 Performance: 125.712 ns/day 0.191 hours/ns 7.275 steps/s 2023-04-08 03:01:16,891 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 395400 79080 49.352 -36389 5409 -41798 -41798 7.0423 3.2675 0.95129 6.3525e+05 2023-04-08 03:01:18,847 INFO [main.py:643]
{rank 0/100} MD step = 395500 step time: 00:00:00.018525 Performance: 125.698 ns/day 0.191 hours/ns 7.274 steps/s 2023-04-08 03:01:40,502 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 395500 79100 49.796 -36233 5457.7 -41690 -41690 7.0433 3.2689 0.95135 6.3547e+05 2023-04-08 03:01:50,534 INFO [main.py:643]
{rank 0/100} MD step = 395600 step time: 00:00:00.017997 Performance: 125.657 ns/day 0.191 hours/ns 7.272 steps/s 2023-04-08 03:02:04,448 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 395600 79120 50.824 -36104 5570.3 -41674 -41674 7.0465 3.2699 0.95052 6.3564e+05 2023-04-08 03:02:06,420 INFO [main.py:643]
{rank 0/100} MD step = 395700 step time: 00:00:00.017824 Performance: 125.652 ns/day 0.191 hours/ns 7.272 steps/s 2023-04-08 03:02:10,689 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 395700 79140 50.345 -36229 5517.9 -41747 -41747 7.0498 3.2719 0.95046 6.358e+05 2023-04-08 03:02:12,589 INFO [main.py:643]
{rank 0/100} MD step = 395800 step time: 00:00:00.018026 Performance: 125.670 ns/day 0.191 hours/ns 7.273 steps/s 2023-04-08 03:02:32,211 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 395800 79160 50.302 -36150 5513.2 -41663 -41663 7.0502 3.2733 0.94987 6.3599e+05 2023-04-08 03:02:34,322 INFO [main.py:643]
{rank 0/100} MD step = 395900 step time: 00:00:00.018016 Performance: 125.651 ns/day 0.191 hours/ns 7.271 steps/s 2023-04-08 03:02:51,878 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 395900 79180 49.855 -36166 5464.2 -41630 -41630 7.0523 3.2755 0.94838 6.3613e+05 2023-04-08 03:02:53,746 INFO [main.py:643]
{rank 0/100} MD step = 396000 step time: 00:00:00.017985 Performance: 125.638 ns/day 0.191 hours/ns 7.271 steps/s 2023-04-08 03:03:14,880 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 396000 79200 49.376 -36176 5411.7 -41588 -41588 7.0526 3.2769 0.94693 6.363e+05 2023-04-08 03:03:16,807 INFO [main.py:643]
{rank 0/100} MD step = 396100 step time: 00:00:00.017851 Performance: 125.617 ns/day 0.191 hours/ns 7.269 steps/s 2023-04-08 03:03:42,678 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 396100 79220 48.978 -36260 5368 -41628 -41628 7.0525 3.2776 0.94763 6.3649e+05 2023-04-08 03:03:44,714 INFO [main.py:643]
{rank 0/100} MD step = 396200 step time: 00:00:00.018030 Performance: 125.584 ns/day 0.191 hours/ns 7.268 steps/s 2023-04-08 03:04:06,289 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 396200 79240 49.945 -36338 5474 -41813 -41813 7.0542 3.2784 0.94819 6.3658e+05 2023-04-08 03:04:08,287 INFO [main.py:643]
{rank 0/100} MD step = 396300 step time: 00:00:00.018292 Performance: 125.561 ns/day 0.191 hours/ns 7.266 steps/s 2023-04-08 03:04:13,115 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 396300 79260 49.845 -36230 5463.1 -41693 -41693 7.0565 3.2794 0.94662 6.3675e+05 2023-04-08 03:04:14,995 INFO [main.py:643]
{rank 0/100} MD step = 396400 step time: 00:00:00.017896 Performance: 125.578 ns/day 0.191 hours/ns 7.267 steps/s 2023-04-08 03:04:19,237 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 396400 79280 49.716 -36186 5449 -41635 -41635 7.0572 3.2801 0.94611 6.3692e+05 2023-04-08 03:04:21,096 INFO [main.py:643]
{rank 0/100} MD step = 396500 step time: 00:00:00.018103 Performance: 125.595 ns/day 0.191 hours/ns 7.268 steps/s 2023-04-08 03:04:34,083 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 396500 79300 49.909 -36119 5470.1 -41589 -41589 7.0592 3.2798 0.94683 6.371e+05 2023-04-08 03:04:35,952 INFO [main.py:643]
{rank 0/100} MD step = 396600 step time: 00:00:00.017989 Performance: 125.593 ns/day 0.191 hours/ns 7.268 steps/s 2023-04-08 03:05:01,968 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 396600 79320 49.128 -36332 5384.5 -41716 -41716 7.0592 3.2809 0.94528 6.3727e+05 2023-04-08 03:05:03,796 INFO [main.py:643]
{rank 0/100} MD step = 396700 step time: 00:00:00.018002 Performance: 125.560 ns/day 0.191 hours/ns 7.266 steps/s 2023-04-08 03:05:19,174 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 396700 79340 50.052 -36225 5485.7 -41710 -41710 7.0608 3.2814 0.94594 6.374e+05 2023-04-08 03:05:21,024 INFO [main.py:643]
{rank 0/100} MD step = 396800 step time: 00:00:00.018083 Performance: 125.552 ns/day 0.191 hours/ns 7.266 steps/s 2023-04-08 03:05:45,587 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 396800 79360 50.095 -36207 5490.4 -41698 -41698 7.0616 3.2813 0.94634 6.3756e+05 2023-04-08 03:05:47,429 INFO [main.py:643]
{rank 0/100} MD step = 396900 step time: 00:00:00.017846 Performance: 125.523 ns/day 0.191 hours/ns 7.264 steps/s 2023-04-08 03:06:04,588 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 396900 79380 49.924 -36222 5471.7 -41694 -41694 7.0632 3.2822 0.94524 6.377e+05 2023-04-08 03:06:06,419 INFO [main.py:643]
{rank 0/100} MD step = 397000 step time: 00:00:00.018099 Performance: 125.511 ns/day 0.191 hours/ns 7.263 steps/s 2023-04-08 03:06:23,995 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 397000 79400 49.775 -36229 5455.4 -41684 -41684 7.0646 3.2844 0.94491 6.3788e+05 2023-04-08 03:06:29,706 INFO [main.py:643]
{rank 0/100} MD step = 397100 step time: 00:00:00.018010 Performance: 125.489 ns/day 0.191 hours/ns 7.262 steps/s 2023-04-08 03:06:34,513 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 397100 79420 49.689 -36377 5445.9 -41823 -41823 7.0651 3.2851 0.94502 6.3802e+05 2023-04-08 03:06:36,412 INFO [main.py:643]
{rank 0/100} MD step = 397200 step time: 00:00:00.017810 Performance: 125.506 ns/day 0.191 hours/ns 7.263 steps/s 2023-04-08 03:06:45,367 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 397200 79440 50.008 -36094 5480.9 -41574 -41574 7.0641 3.2856 0.94596 6.3821e+05 2023-04-08 03:06:47,469 INFO [main.py:643]
{rank 0/100} MD step = 397300 step time: 00:00:00.017998 Performance: 125.512 ns/day 0.191 hours/ns 7.263 steps/s 2023-04-08 03:07:00,650 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 397300 79460 51.073 -36070 5597.7 -41667 -41667 7.068 3.2848 0.94678 6.3835e+05 2023-04-08 03:07:02,584 INFO [main.py:643]
{rank 0/100} MD step = 397400 step time: 00:00:00.017966 Performance: 125.509 ns/day 0.191 hours/ns 7.263 steps/s 2023-04-08 03:07:32,824 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 397400 79480 50.234 -36227 5505.7 -41733 -41733 7.0686 3.2866 0.94615 6.3853e+05 2023-04-08 03:07:34,684 INFO [main.py:643]
{rank 0/100} MD step = 397500 step time: 00:00:00.018058 Performance: 125.467 ns/day 0.191 hours/ns 7.261 steps/s 2023-04-08 03:08:04,528 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 397500 79500 49.501 -36250 5425.3 -41675 -41675 7.0687 3.288 0.94585 6.3869e+05 2023-04-08 03:08:06,379 INFO [main.py:643]
{rank 0/100} MD step = 397600 step time: 00:00:00.017984 Performance: 125.426 ns/day 0.191 hours/ns 7.258 steps/s 2023-04-08 03:08:39,696 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 397600 79520 49.813 -36286 5459.6 -41746 -41746 7.0696 3.2881 0.94646 6.3886e+05 2023-04-08 03:08:42,047 INFO [main.py:643]
{rank 0/100} MD step = 397700 step time: 00:00:00.018019 Performance: 125.376 ns/day 0.191 hours/ns 7.256 steps/s 2023-04-08 03:09:07,178 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 397700 79540 49.84 -36385 5462.5 -41847 -41847 7.072 3.2902 0.94739 6.3902e+05 2023-04-08 03:09:09,157 INFO [main.py:643]
{rank 0/100} MD step = 397800 step time: 00:00:00.017844 Performance: 125.345 ns/day 0.191 hours/ns 7.254 steps/s 2023-04-08 03:09:34,973 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 397800 79560 49.83 -36285 5461.4 -41746 -41746 7.071 3.2901 0.94655 6.3919e+05 2023-04-08 03:09:36,849 INFO [main.py:643]
{rank 0/100} MD step = 397900 step time: 00:00:00.017897 Performance: 125.313 ns/day 0.192 hours/ns 7.252 steps/s 2023-04-08 03:09:47,684 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 397900 79580 50.584 -36108 5544.1 -41652 -41652 7.0713 3.2918 0.94746 6.3935e+05 2023-04-08 03:09:49,808 INFO [main.py:643]
{rank 0/100} MD step = 398000 step time: 00:00:00.017938 Performance: 125.315 ns/day 0.192 hours/ns 7.252 steps/s 2023-04-08 03:09:59,288 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 398000 79600 49.95 -36332 5474.6 -41807 -41807 7.0744 3.292 0.94763 6.3946e+05 2023-04-08 03:10:01,122 INFO [main.py:643]
{rank 0/100} MD step = 398100 step time: 00:00:00.017987 Performance: 125.321 ns/day 0.192 hours/ns 7.252 steps/s 2023-04-08 03:10:09,376 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 398100 79620 50.497 -36163 5534.5 -41698 -41698 7.0779 3.2937 0.94622 6.3964e+05 2023-04-08 03:10:11,364 INFO [main.py:643]
{rank 0/100} MD step = 398200 step time: 00:00:00.017879 Performance: 125.329 ns/day 0.191 hours/ns 7.253 steps/s 2023-04-08 03:10:20,203 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 398200 79640 49.514 -36274 5426.8 -41701 -41701 7.0786 3.2957 0.94638 6.398e+05 2023-04-08 03:10:22,164 INFO [main.py:643]
{rank 0/100} MD step = 398300 step time: 00:00:00.018028 Performance: 125.336 ns/day 0.191 hours/ns 7.253 steps/s 2023-04-08 03:10:35,088 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 398300 79660 50.769 -36185 5564.4 -41750 -41750 7.0792 3.2964 0.94691 6.3994e+05 2023-04-08 03:10:37,351 INFO [main.py:643]
{rank 0/100} MD step = 398400 step time: 00:00:00.017927 Performance: 125.333 ns/day 0.191 hours/ns 7.253 steps/s 2023-04-08 03:11:00,833 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 398400 79680 49.954 -36265 5475 -41740 -41740 7.0795 3.2966 0.94619 6.401e+05 2023-04-08 03:11:07,155 INFO [main.py:643]
{rank 0/100} MD step = 398500 step time: 00:00:00.017883 Performance: 125.296 ns/day 0.192 hours/ns 7.251 steps/s 2023-04-08 03:11:24,524 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 398500 79700 49.947 -36235 5474.2 -41709 -41709 7.08 3.2987 0.94601 6.4028e+05 2023-04-08 03:11:26,407 INFO [main.py:643]
{rank 0/100} MD step = 398600 step time: 00:00:00.017900 Performance: 125.284 ns/day 0.192 hours/ns 7.250 steps/s 2023-04-08 03:11:59,135 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 398600 79720 50.328 -36163 5516 -41679 -41679 7.0805 3.298 0.94639 6.4045e+05 2023-04-08 03:12:01,001 INFO [main.py:643]
{rank 0/100} MD step = 398700 step time: 00:00:00.017978 Performance: 125.236 ns/day 0.192 hours/ns 7.247 steps/s 2023-04-08 03:12:22,310 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 398700 79740 49.123 -36284 5384 -41668 -41668 7.0809 3.2988 0.94561 6.4061e+05 2023-04-08 03:12:24,210 INFO [main.py:643]
{rank 0/100} MD step = 398800 step time: 00:00:00.018022 Performance: 125.215 ns/day 0.192 hours/ns 7.246 steps/s 2023-04-08 03:12:37,449 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 398800 79760 49.747 -36232 5452.3 -41684 -41684 7.0828 3.2989 0.94466 6.4077e+05 2023-04-08 03:12:39,364 INFO [main.py:643]
{rank 0/100} MD step = 398900 step time: 00:00:00.017973 Performance: 125.212 ns/day 0.192 hours/ns 7.246 steps/s 2023-04-08 03:12:52,372 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 398900 79780 50.038 -36160 5484.2 -41644 -41644 7.0838 3.3002 0.94475 6.4092e+05 2023-04-08 03:12:54,249 INFO [main.py:643]
{rank 0/100} MD step = 399000 step time: 00:00:00.017865 Performance: 125.209 ns/day 0.192 hours/ns 7.246 steps/s 2023-04-08 03:13:33,297 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 399000 79800 49.15 -36319 5386.8 -41706 -41706 7.0867 3.3025 0.94272 6.4107e+05 2023-04-08 03:13:35,180 INFO [main.py:643]
{rank 0/100} MD step = 399100 step time: 00:00:00.018038 Performance: 125.148 ns/day 0.192 hours/ns 7.242 steps/s 2023-04-08 03:13:40,544 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 399100 79820 50.1 -36114 5491 -41605 -41605 7.0867 3.3045 0.94209 6.4127e+05 2023-04-08 03:13:45,643 INFO [main.py:643]
{rank 0/100} MD step = 399200 step time: 00:00:00.017976 Performance: 125.155 ns/day 0.192 hours/ns 7.243 steps/s 2023-04-08 03:13:56,974 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 399200 79840 50.669 -36171 5553.4 -41724 -41724 7.0866 3.3052 0.94222 6.4145e+05 2023-04-08 03:13:58,880 INFO [main.py:643]
{rank 0/100} MD step = 399300 step time: 00:00:00.017901 Performance: 125.157 ns/day 0.192 hours/ns 7.243 steps/s 2023-04-08 03:14:16,386 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 399300 79860 50.029 -36184 5483.3 -41668 -41668 7.087 3.3065 0.94329 6.4162e+05 2023-04-08 03:14:18,274 INFO [main.py:643]
{rank 0/100} MD step = 399400 step time: 00:00:00.017918 Performance: 125.144 ns/day 0.192 hours/ns 7.242 steps/s 2023-04-08 03:14:19,437 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 399400 79880 50.029 -36220 5483.2 -41703 -41703 7.0876 3.3081 0.94369 6.4175e+05 2023-04-08 03:14:21,346 INFO [main.py:643]
{rank 0/100} MD step = 399500 step time: 00:00:00.018124 Performance: 125.168 ns/day 0.192 hours/ns 7.244 steps/s 2023-04-08 03:14:35,544 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 399500 79900 49.489 -36206 5424 -41630 -41630 7.085 3.3085 0.94422 6.4192e+05 2023-04-08 03:14:37,429 INFO [main.py:643]
{rank 0/100} MD step = 399600 step time: 00:00:00.018099 Performance: 125.163 ns/day 0.192 hours/ns 7.243 steps/s 2023-04-08 03:14:42,611 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 399600 79920 49.957 -36208 5475.4 -41684 -41684 7.0863 3.3104 0.94453 6.4206e+05 2023-04-08 03:14:44,451 INFO [main.py:643]
{rank 0/100} MD step = 399700 step time: 00:00:00.018106 Performance: 125.178 ns/day 0.192 hours/ns 7.244 steps/s 2023-04-08 03:14:48,570 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 399700 79940 49.825 -36231 5460.9 -41692 -41692 7.0861 3.3124 0.9436 6.4221e+05 2023-04-08 03:14:54,330 INFO [main.py:643]
{rank 0/100} MD step = 399800 step time: 00:00:00.017695 Performance: 125.187 ns/day 0.192 hours/ns 7.245 steps/s 2023-04-08 03:15:05,349 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 399800 79960 49.103 -36378 5381.7 -41760 -41760 7.0882 3.3135 0.94301 6.424e+05 2023-04-08 03:15:07,205 INFO [main.py:643]
{rank 0/100} MD step = 399900 step time: 00:00:00.018033 Performance: 125.190 ns/day 0.192 hours/ns 7.245 steps/s 2023-04-08 03:15:26,667 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 399900 79980 49.983 -36302 5478.2 -41780 -41780 7.09 3.3134 0.9428 6.4256e+05 2023-04-08 03:15:28,788 INFO [main.py:643]
{rank 0/100} MD step = 400000 step time: 00:00:00.018140 Performance: 125.172 ns/day 0.192 hours/ns 7.244 steps/s 2023-04-08 03:15:33,655 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 400000 80000 50.064 -36225 5487 -41712 -41712 7.0915 3.3123 0.94125 6.4271e+05 2023-04-08 03:15:35,543 INFO [main.py:643]
{rank 0/100} MD step = 400100 step time: 00:00:00.017892 Performance: 125.188 ns/day 0.192 hours/ns 7.245 steps/s 2023-04-08 03:15:45,159 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 400100 80020 49.944 -36335 5473.9 -41809 -41809 7.0932 3.3128 0.9409 6.4287e+05 2023-04-08 03:15:47,046 INFO [main.py:643]
{rank 0/100} MD step = 400200 step time: 00:00:00.017833 Performance: 125.193 ns/day 0.192 hours/ns 7.245 steps/s 2023-04-08 03:15:55,305 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 400200 80040 50.768 -36088 5564.2 -41652 -41652 7.0949 3.3128 0.93982 6.4305e+05 2023-04-08 03:16:00,886 INFO [main.py:643]
{rank 0/100} MD step = 400300 step time: 00:00:00.017783 Performance: 125.193 ns/day 0.192 hours/ns 7.245 steps/s 2023-04-08 03:16:18,635 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 400300 80060 50.275 -36226 5510.2 -41737 -41737 7.0968 3.3132 0.93905 6.4321e+05 2023-04-08 03:16:20,644 INFO [main.py:643]
{rank 0/100} MD step = 400400 step time: 00:00:00.017998 Performance: 125.179 ns/day 0.192 hours/ns 7.244 steps/s 2023-04-08 03:16:25,961 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 400400 80080 50.245 -36219 5506.9 -41726 -41726 7.0981 3.3144 0.93832 6.4336e+05 2023-04-08 03:16:27,827 INFO [main.py:643]
{rank 0/100} MD step = 400500 step time: 00:00:00.018180 Performance: 125.194 ns/day 0.192 hours/ns 7.245 steps/s 2023-04-08 03:16:31,917 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 400500 80100 49.596 -36287 5435.8 -41723 -41723 7.101 3.3159 0.93639 6.4354e+05 2023-04-08 03:16:33,913 INFO [main.py:643]
{rank 0/100} MD step = 400600 step time: 00:00:00.018037 Performance: 125.212 ns/day 0.192 hours/ns 7.246 steps/s 2023-04-08 03:16:42,441 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 400600 80120 50.214 -36119 5503.5 -41623 -41623 7.1005 3.3149 0.93456 6.437e+05 2023-04-08 03:16:44,297 INFO [main.py:643]
{rank 0/100} MD step = 400700 step time: 00:00:00.018045 Performance: 125.220 ns/day 0.192 hours/ns 7.247 steps/s 2023-04-08 03:16:53,459 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 400700 80140 50.204 -36230 5502.4 -41732 -41732 7.1013 3.3157 0.93414 6.4382e+05 2023-04-08 03:16:55,411 INFO [main.py:643]
{rank 0/100} MD step = 400800 step time: 00:00:00.018072 Performance: 125.226 ns/day 0.192 hours/ns 7.247 steps/s 2023-04-08 03:17:21,751 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 400800 80160 50.197 -36169 5501.7 -41671 -41671 7.1038 3.3168 0.93365 6.4402e+05 2023-04-08 03:17:23,688 INFO [main.py:643]
{rank 0/100} MD step = 400900 step time: 00:00:00.017838 Performance: 125.193 ns/day 0.192 hours/ns 7.245 steps/s 2023-04-08 03:17:50,152 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 400900 80180 49.574 -36222 5433.3 -41655 -41655 7.1059 3.318 0.93272 6.4416e+05 2023-04-08 03:17:52,010 INFO [main.py:643]
{rank 0/100} MD step = 401000 step time: 00:00:00.017990 Performance: 125.160 ns/day 0.192 hours/ns 7.243 steps/s 2023-04-08 03:18:06,586 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 401000 80200 50.158 -36185 5497.4 -41683 -41683 7.1064 3.3193 0.93139 6.4431e+05 2023-04-08 03:18:08,525 INFO [main.py:643]
{rank 0/100} MD step = 401100 step time: 00:00:00.018008 Performance: 125.154 ns/day 0.192 hours/ns 7.243 steps/s 2023-04-08 03:18:12,378 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 401100 80220 50.862 -36107 5574.6 -41681 -41681 7.1067 3.3199 0.93049 6.4448e+05 2023-04-08 03:18:14,237 INFO [main.py:643]
{rank 0/100} MD step = 401200 step time: 00:00:00.018137 Performance: 125.172 ns/day 0.192 hours/ns 7.244 steps/s 2023-04-08 03:18:27,480 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 401200 80240 50.194 -36138 5501.4 -41640 -41640 7.1081 3.3181 0.9308 6.4461e+05 2023-04-08 03:18:29,382 INFO [main.py:643]
{rank 0/100} MD step = 401300 step time: 00:00:00.017955 Performance: 125.169 ns/day 0.192 hours/ns 7.244 steps/s 2023-04-08 03:18:38,369 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 401300 80260 50.352 -36249 5518.6 -41768 -41768 7.1116 3.3187 0.93226 6.4477e+05 2023-04-08 03:18:40,262 INFO [main.py:643]
{rank 0/100} MD step = 401400 step time: 00:00:00.017949 Performance: 125.176 ns/day 0.192 hours/ns 7.244 steps/s 2023-04-08 03:18:57,556 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 401400 80280 49.613 -36335 5437.6 -41773 -41773 7.1131 3.3204 0.93426 6.449e+05 2023-04-08 03:18:59,488 INFO [main.py:643]
{rank 0/100} MD step = 401500 step time: 00:00:00.018183 Performance: 125.164 ns/day 0.192 hours/ns 7.243 steps/s 2023-04-08 03:19:13,296 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 401500 80300 49.873 -36233 5466.2 -41699 -41699 7.1159 3.3209 0.9355 6.451e+05 2023-04-08 03:19:15,196 INFO [main.py:643]
{rank 0/100} MD step = 401600 step time: 00:00:00.018068 Performance: 125.159 ns/day 0.192 hours/ns 7.243 steps/s 2023-04-08 03:19:27,779 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 401600 80320 50.249 -36110 5507.3 -41617 -41617 7.1182 3.3198 0.93513 6.4525e+05 2023-04-08 03:19:29,604 INFO [main.py:643]
{rank 0/100} MD step = 401700 step time: 00:00:00.018221 Performance: 125.158 ns/day 0.192 hours/ns 7.243 steps/s 2023-04-08 03:19:42,820 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 401700 80340 49.843 -36290 5462.9 -41753 -41753 7.1215 3.3208 0.9343 6.4541e+05 2023-04-08 03:19:48,543 INFO [main.py:643]
{rank 0/100} MD step = 401800 step time: 00:00:00.017798 Performance: 125.146 ns/day 0.192 hours/ns 7.242 steps/s 2023-04-08 03:20:10,812 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 401800 80360 49.533 -36268 5428.9 -41697 -41697 7.1239 3.3206 0.93516 6.4556e+05 2023-04-08 03:20:12,648 INFO [main.py:643]
{rank 0/100} MD step = 401900 step time: 00:00:00.018130 Performance: 125.123 ns/day 0.192 hours/ns 7.241 steps/s 2023-04-08 03:20:21,808 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 401900 80380 49.908 -36222 5470 -41692 -41692 7.126 3.3226 0.93513 6.4572e+05 2023-04-08 03:20:23,670 INFO [main.py:643]
{rank 0/100} MD step = 402000 step time: 00:00:00.018212 Performance: 125.130 ns/day 0.192 hours/ns 7.241 steps/s 2023-04-08 03:20:49,412 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 402000 80400 49.336 -36332 5407.3 -41740 -41740 7.1261 3.3232 0.93327 6.4587e+05 2023-04-08 03:20:51,201 INFO [main.py:643]
{rank 0/100} MD step = 402100 step time: 00:00:00.018691 Performance: 125.099 ns/day 0.192 hours/ns 7.240 steps/s 2023-04-08 03:21:17,948 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 402100 80420 50.434 -36315 5527.7 -41843 -41843 7.1273 3.3247 0.93291 6.4601e+05 2023-04-08 03:21:20,320 INFO [main.py:643]
{rank 0/100} MD step = 402200 step time: 00:00:00.017849 Performance: 125.064 ns/day 0.192 hours/ns 7.238 steps/s 2023-04-08 03:21:28,147 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 402200 80440 49.626 -36273 5439 -41713 -41713 7.1282 3.3258 0.93342 6.4621e+05 2023-04-08 03:21:30,206 INFO [main.py:643]
{rank 0/100} MD step = 402300 step time: 00:00:00.017946 Performance: 125.073 ns/day 0.192 hours/ns 7.238 steps/s 2023-04-08 03:21:47,312 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 402300 80460 49.89 -36189 5468 -41657 -41657 7.1307 3.3268 0.93401 6.4637e+05 2023-04-08 03:21:53,095 INFO [main.py:643]
{rank 0/100} MD step = 402400 step time: 00:00:00.017933 Performance: 125.053 ns/day 0.192 hours/ns 7.237 steps/s 2023-04-08 03:22:05,469 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 402400 80480 49.477 -36312 5422.8 -41735 -41735 7.1305 3.3281 0.93326 6.4653e+05 2023-04-08 03:22:07,357 INFO [main.py:643]
{rank 0/100} MD step = 402500 step time: 00:00:00.017964 Performance: 125.052 ns/day 0.192 hours/ns 7.237 steps/s 2023-04-08 03:22:08,612 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 402500 80500 50.316 -36196 5514.6 -41710 -41710 7.1342 3.33 0.9331 6.4667e+05 2023-04-08 03:22:10,498 INFO [main.py:643]
{rank 0/100} MD step = 402600 step time: 00:00:00.018570 Performance: 125.076 ns/day 0.192 hours/ns 7.238 steps/s 2023-04-08 03:22:20,128 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 402600 80520 49.859 -36173 5464.7 -41637 -41637 7.1358 3.3304 0.9328 6.4684e+05 2023-04-08 03:22:22,002 INFO [main.py:643]
{rank 0/100} MD step = 402700 step time: 00:00:00.017948 Performance: 125.081 ns/day 0.192 hours/ns 7.238 steps/s 2023-04-08 03:22:25,825 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 402700 80540 50.389 -36115 5522.7 -41638 -41638 7.1395 3.33 0.93311 6.4701e+05 2023-04-08 03:22:27,727 INFO [main.py:643]
{rank 0/100} MD step = 402800 step time: 00:00:00.017922 Performance: 125.099 ns/day 0.192 hours/ns 7.240 steps/s 2023-04-08 03:22:32,900 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 402800 80560 50.081 -36209 5489 -41698 -41698 7.1422 3.3295 0.93231 6.4715e+05 2023-04-08 03:22:34,768 INFO [main.py:643]
{rank 0/100} MD step = 402900 step time: 00:00:00.017967 Performance: 125.114 ns/day 0.192 hours/ns 7.240 steps/s 2023-04-08 03:22:39,673 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 402900 80580 50.716 -36161 5558.5 -41719 -41719 7.1431 3.3306 0.93137 6.4731e+05 2023-04-08 03:22:41,528 INFO [main.py:643]
{rank 0/100} MD step = 403000 step time: 00:00:00.018019 Performance: 125.130 ns/day 0.192 hours/ns 7.241 steps/s 2023-04-08 03:22:45,995 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 403000 80600 50.853 -36168 5573.6 -41742 -41742 7.1457 3.3308 0.92954 6.4746e+05 2023-04-08 03:22:47,920 INFO [main.py:643]
{rank 0/100} MD step = 403100 step time: 00:00:00.020381 Performance: 125.147 ns/day 0.192 hours/ns 7.242 steps/s 2023-04-08 03:22:57,149 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 403100 80620 49.999 -36211 5480 -41691 -41691 7.1479 3.3312 0.92893 6.4763e+05 2023-04-08 03:22:58,956 INFO [main.py:643]
{rank 0/100} MD step = 403200 step time: 00:00:00.018017 Performance: 125.153 ns/day 0.192 hours/ns 7.243 steps/s 2023-04-08 03:23:04,764 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 403200 80640 50.752 -36164 5562.5 -41727 -41727 7.1487 3.3308 0.93003 6.4778e+05 2023-04-08 03:23:06,575 INFO [main.py:643]
{rank 0/100} MD step = 403300 step time: 00:00:00.018161 Performance: 125.167 ns/day 0.192 hours/ns 7.243 steps/s 2023-04-08 03:23:13,572 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 403300 80660 49.394 -36253 5413.6 -41666 -41666 7.1518 3.3307 0.93059 6.4795e+05 2023-04-08 03:23:15,372 INFO [main.py:643]
{rank 0/100} MD step = 403400 step time: 00:00:00.018130 Performance: 125.178 ns/day 0.192 hours/ns 7.244 steps/s 2023-04-08 03:23:28,454 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 403400 80680 50.3 -36130 5512.9 -41643 -41643 7.1518 3.3312 0.93089 6.4813e+05 2023-04-08 03:23:31,969 INFO [main.py:643]
{rank 0/100} MD step = 403500 step time: 00:00:00.018099 Performance: 125.172 ns/day 0.192 hours/ns 7.244 steps/s 2023-04-08 03:23:45,449 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 403500 80700 49.979 -36338 5477.8 -41816 -41816 7.1523 3.3313 0.93238 6.4827e+05 2023-04-08 03:23:47,360 INFO [main.py:643]
{rank 0/100} MD step = 403600 step time: 00:00:00.017868 Performance: 125.168 ns/day 0.192 hours/ns 7.244 steps/s 2023-04-08 03:23:52,665 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 403600 80720 49.82 -36138 5460.4 -41598 -41598 7.1521 3.3309 0.93154 6.4845e+05 2023-04-08 03:23:54,490 INFO [main.py:643]
{rank 0/100} MD step = 403700 step time: 00:00:00.018005 Performance: 125.183 ns/day 0.192 hours/ns 7.244 steps/s 2023-04-08 03:23:58,393 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 403700 80740 49.335 -36277 5407.2 -41684 -41684 7.1524 3.3334 0.93224 6.486e+05 2023-04-08 03:24:00,293 INFO [main.py:643]
{rank 0/100} MD step = 403800 step time: 00:00:00.018136 Performance: 125.201 ns/day 0.192 hours/ns 7.245 steps/s 2023-04-08 03:24:01,958 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 403800 80760 49.15 -36274 5386.9 -41661 -41661 7.1545 3.3352 0.93306 6.4874e+05 2023-04-08 03:24:03,827 INFO [main.py:643]
{rank 0/100} MD step = 403900 step time: 00:00:00.017878 Performance: 125.224 ns/day 0.192 hours/ns 7.247 steps/s 2023-04-08 03:24:15,302 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 403900 80780 49.948 -36211 5474.4 -41686 -41686 7.1563 3.3379 0.93433 6.4894e+05 2023-04-08 03:24:17,233 INFO [main.py:643]
{rank 0/100} MD step = 404000 step time: 00:00:00.018018 Performance: 125.225 ns/day 0.192 hours/ns 7.247 steps/s 2023-04-08 03:24:30,859 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 404000 80800 49.978 -36268 5477.6 -41746 -41746 7.1553 3.3383 0.93297 6.4911e+05 2023-04-08 03:24:33,842 INFO [main.py:643]
{rank 0/100} MD step = 404100 step time: 00:00:00.017892 Performance: 125.219 ns/day 0.192 hours/ns 7.246 steps/s 2023-04-08 03:24:45,850 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 404100 80820 50.018 -36151 5482.1 -41633 -41633 7.1564 3.3396 0.9324 6.4927e+05 2023-04-08 03:24:47,690 INFO [main.py:643]
{rank 0/100} MD step = 404200 step time: 00:00:00.017985 Performance: 125.219 ns/day 0.192 hours/ns 7.246 steps/s 2023-04-08 03:25:00,858 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 404200 80840 50.634 -36226 5549.5 -41775 -41775 7.1571 3.3397 0.93346 6.494e+05 2023-04-08 03:25:02,745 INFO [main.py:643]
{rank 0/100} MD step = 404300 step time: 00:00:00.018074 Performance: 125.216 ns/day 0.192 hours/ns 7.246 steps/s 2023-04-08 03:25:12,472 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 404300 80860 50.381 -36121 5521.8 -41643 -41643 7.1588 3.3421 0.93268 6.496e+05 2023-04-08 03:25:14,337 INFO [main.py:643]
{rank 0/100} MD step = 404400 step time: 00:00:00.017952 Performance: 125.221 ns/day 0.192 hours/ns 7.247 steps/s 2023-04-08 03:25:28,464 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 404400 80880 50.034 -36232 5483.8 -41716 -41716 7.1603 3.3423 0.93057 6.4974e+05 2023-04-08 03:25:30,409 INFO [main.py:643]
{rank 0/100} MD step = 404500 step time: 00:00:00.017930 Performance: 125.216 ns/day 0.192 hours/ns 7.246 steps/s 2023-04-08 03:25:44,426 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 404500 80900 49.778 -36278 5455.8 -41734 -41734 7.1623 3.3427 0.92929 6.499e+05 2023-04-08 03:25:46,248 INFO [main.py:643]
{rank 0/100} MD step = 404600 step time: 00:00:00.017956 Performance: 125.211 ns/day 0.192 hours/ns 7.246 steps/s 2023-04-08 03:25:54,751 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 404600 80920 50.203 -36156 5502.3 -41658 -41658 7.1647 3.3413 0.92834 6.5008e+05 2023-04-08 03:26:00,073 INFO [main.py:643]
{rank 0/100} MD step = 404700 step time: 00:00:00.017936 Performance: 125.211 ns/day 0.192 hours/ns 7.246 steps/s 2023-04-08 03:26:17,851 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 404700 80940 50.439 -36220 5528.1 -41748 -41748 7.1663 3.3426 0.92927 6.5025e+05 2023-04-08 03:26:19,887 INFO [main.py:643]
{rank 0/100} MD step = 404800 step time: 00:00:00.017924 Performance: 125.198 ns/day 0.192 hours/ns 7.245 steps/s 2023-04-08 03:26:36,907 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 404800 80960 51.072 -35942 5597.6 -41540 -41540 7.1657 3.3446 0.92814 6.5045e+05 2023-04-08 03:26:43,049 INFO [main.py:643]
{rank 0/100} MD step = 404900 step time: 00:00:00.017975 Performance: 125.177 ns/day 0.192 hours/ns 7.244 steps/s 2023-04-08 03:26:57,569 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 404900 80980 50.113 -36159 5492.4 -41651 -41651 7.167 3.347 0.92914 6.5061e+05 2023-04-08 03:26:59,526 INFO [main.py:643]
{rank 0/100} MD step = 405000 step time: 00:00:00.018095 Performance: 125.171 ns/day 0.192 hours/ns 7.244 steps/s 2023-04-08 03:27:07,133 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 405000 81000 50.428 -36215 5527 -41742 -41742 7.1698 3.3478 0.92851 6.5073e+05 2023-04-08 03:27:09,037 INFO [main.py:643]
{rank 0/100} MD step = 405100 step time: 00:00:00.018004 Performance: 125.180 ns/day 0.192 hours/ns 7.244 steps/s 2023-04-08 03:27:17,773 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 405100 81020 49.809 -36111 5459.1 -41570 -41570 7.1682 3.3485 0.92929 6.5088e+05 2023-04-08 03:27:19,681 INFO [main.py:643]
{rank 0/100} MD step = 405200 step time: 00:00:00.017852 Performance: 125.187 ns/day 0.192 hours/ns 7.245 steps/s 2023-04-08 03:27:24,803 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 405200 81040 49.264 -36252 5399.4 -41651 -41651 7.1695 3.3496 0.92852 6.5101e+05 2023-04-08 03:27:26,679 INFO [main.py:643]
{rank 0/100} MD step = 405300 step time: 00:00:00.017987 Performance: 125.203 ns/day 0.192 hours/ns 7.246 steps/s 2023-04-08 03:27:39,662 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 405300 81060 50.588 -36154 5544.5 -41699 -41699 7.171 3.351 0.92645 6.5118e+05 2023-04-08 03:27:41,695 INFO [main.py:643]
{rank 0/100} MD step = 405400 step time: 00:00:00.018056 Performance: 125.200 ns/day 0.192 hours/ns 7.245 steps/s 2023-04-08 03:27:42,944 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 405400 81080 50.196 -36285 5501.5 -41787 -41787 7.1709 3.3517 0.92695 6.5131e+05 2023-04-08 03:27:44,792 INFO [main.py:643]
{rank 0/100} MD step = 405500 step time: 00:00:00.017901 Performance: 125.224 ns/day 0.192 hours/ns 7.247 steps/s 2023-04-08 03:28:05,161 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 405500 81100 49.778 -36200 5455.7 -41656 -41656 7.1713 3.3517 0.92493 6.5151e+05 2023-04-08 03:28:07,088 INFO [main.py:643]
{rank 0/100} MD step = 405600 step time: 00:00:00.018024 Performance: 125.205 ns/day 0.192 hours/ns 7.246 steps/s 2023-04-08 03:28:08,339 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 405600 81120 49.733 -36212 5450.8 -41663 -41663 7.1727 3.3524 0.92253 6.5165e+05 2023-04-08 03:28:10,202 INFO [main.py:643]
{rank 0/100} MD step = 405700 step time: 00:00:00.017978 Performance: 125.229 ns/day 0.192 hours/ns 7.247 steps/s 2023-04-08 03:28:18,528 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 405700 81140 50.124 -36151 5493.6 -41644 -41644 7.1722 3.3539 0.92074 6.5184e+05 2023-04-08 03:28:20,407 INFO [main.py:643]
{rank 0/100} MD step = 405800 step time: 00:00:00.018220 Performance: 125.237 ns/day 0.192 hours/ns 7.248 steps/s 2023-04-08 03:28:21,529 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 405800 81160 50.684 -36197 5555 -41752 -41752 7.1727 3.3552 0.92111 6.5197e+05 2023-04-08 03:28:23,451 INFO [main.py:643]
{rank 0/100} MD step = 405900 step time: 00:00:00.018028 Performance: 125.261 ns/day 0.192 hours/ns 7.249 steps/s 2023-04-08 03:28:39,359 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 405900 81180 50.162 -36114 5497.8 -41612 -41612 7.1725 3.3572 0.92044 6.5216e+05 2023-04-08 03:28:41,161 INFO [main.py:643]
{rank 0/100} MD step = 406000 step time: 00:00:00.017912 Performance: 125.252 ns/day 0.192 hours/ns 7.248 steps/s 2023-04-08 03:28:51,269 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 406000 81200 50.168 -36196 5498.5 -41694 -41694 7.1758 3.3591 0.92104 6.5228e+05 2023-04-08 03:28:53,257 INFO [main.py:643]
{rank 0/100} MD step = 406100 step time: 00:00:00.017921 Performance: 125.256 ns/day 0.192 hours/ns 7.249 steps/s 2023-04-08 03:29:35,912 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 406100 81220 50.181 -36271 5499.9 -41771 -41771 7.1766 3.3596 0.92083 6.5245e+05 2023-04-08 03:29:37,730 INFO [main.py:643]
{rank 0/100} MD step = 406200 step time: 00:00:00.019796 Performance: 125.187 ns/day 0.192 hours/ns 7.245 steps/s 2023-04-08 03:29:58,852 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 406200 81240 50.449 -36182 5529.3 -41711 -41711 7.1764 3.3593 0.92059 6.526e+05 2023-04-08 03:30:00,667 INFO [main.py:643]
{rank 0/100} MD step = 406300 step time: 00:00:00.017811 Performance: 125.167 ns/day 0.192 hours/ns 7.243 steps/s 2023-04-08 03:30:14,369 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 406300 81260 49.221 -36301 5394.7 -41696 -41696 7.1736 3.3598 0.92159 6.5276e+05 2023-04-08 03:30:16,213 INFO [main.py:643]
{rank 0/100} MD step = 406400 step time: 00:00:00.017922 Performance: 125.163 ns/day 0.192 hours/ns 7.243 steps/s 2023-04-08 03:30:21,221 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 406400 81280 49.296 -36313 5402.9 -41716 -41716 7.1729 3.3599 0.92028 6.5293e+05 2023-04-08 03:30:23,075 INFO [main.py:643]
{rank 0/100} MD step = 406500 step time: 00:00:00.017975 Performance: 125.179 ns/day 0.192 hours/ns 7.244 steps/s 2023-04-08 03:30:27,419 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 406500 81300 49.86 -36249 5464.7 -41714 -41714 7.1744 3.3616 0.917 6.5308e+05 2023-04-08 03:30:29,360 INFO [main.py:643]
{rank 0/100} MD step = 406600 step time: 00:00:00.017975 Performance: 125.195 ns/day 0.192 hours/ns 7.245 steps/s 2023-04-08 03:30:34,207 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 406600 81320 50.388 -36203 5522.6 -41725 -41725 7.1747 3.3632 0.91572 6.5326e+05 2023-04-08 03:30:36,069 INFO [main.py:643]
{rank 0/100} MD step = 406700 step time: 00:00:00.018227 Performance: 125.211 ns/day 0.192 hours/ns 7.246 steps/s 2023-04-08 03:30:40,808 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 406700 81340 50.066 -36217 5487.3 -41705 -41705 7.1756 3.3642 0.91599 6.5343e+05 2023-04-08 03:30:42,600 INFO [main.py:643]
{rank 0/100} MD step = 406800 step time: 00:00:00.018438 Performance: 125.227 ns/day 0.192 hours/ns 7.247 steps/s 2023-04-08 03:30:59,683 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 406800 81360 49.542 -36308 5429.8 -41738 -41738 7.178 3.3633 0.91632 6.5357e+05 2023-04-08 03:31:01,480 INFO [main.py:643]
{rank 0/100} MD step = 406900 step time: 00:00:00.018003 Performance: 125.216 ns/day 0.192 hours/ns 7.246 steps/s 2023-04-08 03:31:09,936 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 406900 81380 49.789 -36229 5456.9 -41686 -41686 7.1779 3.3645 0.91484 6.5378e+05 2023-04-08 03:31:11,766 INFO [main.py:643]
{rank 0/100} MD step = 407000 step time: 00:00:00.017975 Performance: 125.224 ns/day 0.192 hours/ns 7.247 steps/s 2023-04-08 03:31:20,932 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 407000 81400 49.728 -36262 5450.3 -41713 -41713 7.1785 3.3651 0.9151 6.5393e+05 2023-04-08 03:31:23,092 INFO [main.py:643]
{rank 0/100} MD step = 407100 step time: 00:00:00.017826 Performance: 125.230 ns/day 0.192 hours/ns 7.247 steps/s 2023-04-08 03:31:27,431 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 407100 81420 51.091 -36144 5599.7 -41744 -41744 7.1798 3.3669 0.91318 6.5407e+05 2023-04-08 03:31:29,407 INFO [main.py:643]
{rank 0/100} MD step = 407200 step time: 00:00:00.018247 Performance: 125.246 ns/day 0.192 hours/ns 7.248 steps/s 2023-04-08 03:31:51,540 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 407200 81440 49.741 -36175 5451.7 -41626 -41626 7.1804 3.3665 0.91373 6.5425e+05 2023-04-08 03:31:53,387 INFO [main.py:643]
{rank 0/100} MD step = 407300 step time: 00:00:00.017897 Performance: 125.223 ns/day 0.192 hours/ns 7.247 steps/s 2023-04-08 03:31:57,874 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 407300 81460 49.555 -36139 5431.3 -41570 -41570 7.1824 3.3661 0.91434 6.5443e+05 2023-04-08 03:31:59,763 INFO [main.py:643]
{rank 0/100} MD step = 407400 step time: 00:00:00.017889 Performance: 125.240 ns/day 0.192 hours/ns 7.248 steps/s 2023-04-08 03:32:16,834 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 407400 81480 50.628 -36136 5548.9 -41685 -41685 7.184 3.3677 0.91282 6.5455e+05 2023-04-08 03:32:22,406 INFO [main.py:643]
{rank 0/100} MD step = 407500 step time: 00:00:00.017860 Performance: 125.220 ns/day 0.192 hours/ns 7.247 steps/s 2023-04-08 03:32:31,483 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 407500 81500 49.657 -36257 5442.5 -41700 -41700 7.1863 3.3695 0.91248 6.5472e+05 2023-04-08 03:32:33,339 INFO [main.py:643]
{rank 0/100} MD step = 407600 step time: 00:00:00.017881 Performance: 125.227 ns/day 0.192 hours/ns 7.247 steps/s 2023-04-08 03:32:40,399 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 407600 81520 49.72 -36302 5449.4 -41751 -41751 7.1856 3.3704 0.91005 6.549e+05 2023-04-08 03:32:42,321 INFO [main.py:643]
{rank 0/100} MD step = 407700 step time: 00:00:00.017753 Performance: 125.237 ns/day 0.192 hours/ns 7.248 steps/s 2023-04-08 03:32:55,206 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 407700 81540 49.215 -36357 5394 -41751 -41751 7.1879 3.3712 0.90969 6.5509e+05 2023-04-08 03:32:57,143 INFO [main.py:643]
{rank 0/100} MD step = 407800 step time: 00:00:00.018192 Performance: 125.235 ns/day 0.192 hours/ns 7.247 steps/s 2023-04-08 03:33:06,636 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 407800 81560 49.698 -36311 5447 -41758 -41758 7.1881 3.3722 0.91046 6.5524e+05 2023-04-08 03:33:08,436 INFO [main.py:643]
{rank 0/100} MD step = 407900 step time: 00:00:00.018061 Performance: 125.241 ns/day 0.192 hours/ns 7.248 steps/s 2023-04-08 03:33:12,952 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 407900 81580 50.066 -36179 5487.3 -41667 -41667 7.1882 3.3737 0.91238 6.5542e+05 2023-04-08 03:33:14,839 INFO [main.py:643]
{rank 0/100} MD step = 408000 step time: 00:00:00.018494 Performance: 125.257 ns/day 0.192 hours/ns 7.249 steps/s 2023-04-08 03:33:32,104 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 408000 81600 50 -36270 5480 -41750 -41750 7.1881 3.3745 0.91231 6.5557e+05 2023-04-08 03:33:33,933 INFO [main.py:643]
{rank 0/100} MD step = 408100 step time: 00:00:00.018133 Performance: 125.245 ns/day 0.192 hours/ns 7.248 steps/s 2023-04-08 03:33:51,029 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 408100 81620 50.319 -36192 5515 -41707 -41707 7.19 3.3756 0.91252 6.5574e+05 2023-04-08 03:33:52,857 INFO [main.py:643]
{rank 0/100} MD step = 408200 step time: 00:00:00.017961 Performance: 125.234 ns/day 0.192 hours/ns 7.247 steps/s 2023-04-08 03:34:10,828 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 408200 81640 50.638 -36143 5550 -41693 -41693 7.1915 3.3749 0.91159 6.5589e+05 2023-04-08 03:34:13,017 INFO [main.py:643]
{rank 0/100} MD step = 408300 step time: 00:00:00.018083 Performance: 125.220 ns/day 0.192 hours/ns 7.247 steps/s 2023-04-08 03:34:20,969 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 408300 81660 50.143 -36161 5495.8 -41657 -41657 7.1922 3.3759 0.91108 6.5607e+05 2023-04-08 03:34:27,064 INFO [main.py:643]
{rank 0/100} MD step = 408400 step time: 00:00:00.018007 Performance: 125.219 ns/day 0.192 hours/ns 7.246 steps/s 2023-04-08 03:34:32,499 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 408400 81680 49.815 -36346 5459.8 -41806 -41806 7.194 3.3757 0.91235 6.5621e+05 2023-04-08 03:34:34,334 INFO [main.py:643]
{rank 0/100} MD step = 408500 step time: 00:00:00.017925 Performance: 125.234 ns/day 0.192 hours/ns 7.247 steps/s 2023-04-08 03:34:35,889 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 408500 81700 50.357 -36126 5519.2 -41645 -41645 7.1945 3.376 0.91274 6.564e+05 2023-04-08 03:34:37,774 INFO [main.py:643]
{rank 0/100} MD step = 408600 step time: 00:00:00.017954 Performance: 125.257 ns/day 0.192 hours/ns 7.249 steps/s 2023-04-08 03:34:53,601 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 408600 81720 50.709 -36169 5557.8 -41727 -41727 7.1944 3.3768 0.91123 6.5655e+05 2023-04-08 03:34:55,466 INFO [main.py:643]
{rank 0/100} MD step = 408700 step time: 00:00:00.017957 Performance: 125.248 ns/day 0.192 hours/ns 7.248 steps/s 2023-04-08 03:35:16,867 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 408700 81740 49.936 -36127 5473.1 -41600 -41600 7.194 3.3783 0.90984 6.5671e+05 2023-04-08 03:35:19,119 INFO [main.py:643]
{rank 0/100} MD step = 408800 step time: 00:00:00.017856 Performance: 125.226 ns/day 0.192 hours/ns 7.247 steps/s 2023-04-08 03:35:29,692 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 408800 81760 50.199 -36108 5501.8 -41610 -41610 7.1943 3.38 0.90958 6.5686e+05 2023-04-08 03:35:31,570 INFO [main.py:643]
{rank 0/100} MD step = 408900 step time: 00:00:00.018011 Performance: 125.229 ns/day 0.192 hours/ns 7.247 steps/s 2023-04-08 03:35:40,472 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 408900 81780 50.27 -36141 5509.6 -41650 -41650 7.1952 3.3822 0.90931 6.5701e+05 2023-04-08 03:35:42,842 INFO [main.py:643]
{rank 0/100} MD step = 409000 step time: 00:00:00.018000 Performance: 125.235 ns/day 0.192 hours/ns 7.247 steps/s 2023-04-08 03:35:55,842 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 409000 81800 49.998 -36149 5479.8 -41628 -41628 7.1965 3.3819 0.90722 6.572e+05 2023-04-08 03:35:57,676 INFO [main.py:643]
{rank 0/100} MD step = 409100 step time: 00:00:00.018012 Performance: 125.233 ns/day 0.192 hours/ns 7.247 steps/s 2023-04-08 03:36:15,149 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 409100 81820 50.709 -36171 5557.7 -41729 -41729 7.1981 3.3829 0.90727 6.5731e+05 2023-04-08 03:36:16,991 INFO [main.py:643]
{rank 0/100} MD step = 409200 step time: 00:00:00.018014 Performance: 125.220 ns/day 0.192 hours/ns 7.247 steps/s 2023-04-08 03:36:34,239 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 409200 81840 49.781 -36378 5456 -41834 -41834 7.1976 3.3827 0.9065 6.5746e+05 2023-04-08 03:36:36,157 INFO [main.py:643]
{rank 0/100} MD step = 409300 step time: 00:00:00.018024 Performance: 125.208 ns/day 0.192 hours/ns 7.246 steps/s 2023-04-08 03:36:37,400 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 409300 81860 50.264 -36214 5509 -41723 -41723 7.1994 3.3819 0.90717 6.5762e+05 2023-04-08 03:36:39,425 INFO [main.py:643]
{rank 0/100} MD step = 409400 step time: 00:00:00.017923 Performance: 125.232 ns/day 0.192 hours/ns 7.247 steps/s 2023-04-08 03:36:55,394 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 409400 81880 49.689 -36188 5445.9 -41634 -41634 7.2002 3.3825 0.90705 6.5779e+05 2023-04-08 03:36:57,504 INFO [main.py:643]
{rank 0/100} MD step = 409500 step time: 00:00:00.017957 Performance: 125.222 ns/day 0.192 hours/ns 7.247 steps/s 2023-04-08 03:37:01,932 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 409500 81900 50.032 -36195 5483.5 -41679 -41679 7.2007 3.3851 0.90731 6.5793e+05 2023-04-08 03:37:03,913 INFO [main.py:643]
{rank 0/100} MD step = 409600 step time: 00:00:00.018025 Performance: 125.239 ns/day 0.192 hours/ns 7.248 steps/s 2023-04-08 03:37:13,777 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 409600 81920 49.711 -36266 5448.4 -41715 -41715 7.2016 3.3861 0.90799 6.581e+05 2023-04-08 03:37:15,632 INFO [main.py:643]
{rank 0/100} MD step = 409700 step time: 00:00:00.017930 Performance: 125.243 ns/day 0.192 hours/ns 7.248 steps/s 2023-04-08 03:37:32,196 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 409700 81940 49.963 -36148 5476 -41624 -41624 7.2016 3.3881 0.90851 6.5827e+05 2023-04-08 03:37:34,189 INFO [main.py:643]
{rank 0/100} MD step = 409800 step time: 00:00:00.017869 Performance: 125.233 ns/day 0.192 hours/ns 7.247 steps/s 2023-04-08 03:37:43,345 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 409800 81960 50.809 -36171 5568.7 -41739 -41739 7.2021 3.3902 0.90746 6.5841e+05 2023-04-08 03:37:45,218 INFO [main.py:643]
{rank 0/100} MD step = 409900 step time: 00:00:00.017757 Performance: 125.239 ns/day 0.192 hours/ns 7.248 steps/s 2023-04-08 03:37:49,502 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 409900 81980 49.865 -36154 5465.3 -41619 -41619 7.2049 3.391 0.90821 6.5857e+05 2023-04-08 03:37:51,554 INFO [main.py:643]
{rank 0/100} MD step = 410000 step time: 00:00:00.018079 Performance: 125.255 ns/day 0.192 hours/ns 7.249 steps/s 2023-04-08 03:38:08,465 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 410000 82000 50.399 -36161 5523.8 -41685 -41685 7.2057 3.3913 0.90795 6.5872e+05 2023-04-08 03:38:10,863 INFO [main.py:643]
{rank 0/100} MD step = 410100 step time: 00:00:00.018226 Performance: 125.243 ns/day 0.192 hours/ns 7.248 steps/s 2023-04-08 03:38:20,135 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 410100 82020 50.398 -36187 5523.7 -41711 -41711 7.2063 3.392 0.909 6.5888e+05 2023-04-08 03:38:22,020 INFO [main.py:643]
{rank 0/100} MD step = 410200 step time: 00:00:00.018008 Performance: 125.249 ns/day 0.192 hours/ns 7.248 steps/s 2023-04-08 03:38:34,530 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 410200 82040 50.909 -36101 5579.7 -41681 -41681 7.2077 3.3931 0.90818 6.5904e+05 2023-04-08 03:38:36,421 INFO [main.py:643]
{rank 0/100} MD step = 410300 step time: 00:00:00.017985 Performance: 125.248 ns/day 0.192 hours/ns 7.248 steps/s 2023-04-08 03:39:02,575 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 410300 82060 50.098 -36289 5490.8 -41780 -41780 7.2056 3.3949 0.90938 6.592e+05 2023-04-08 03:39:04,491 INFO [main.py:643]
{rank 0/100} MD step = 410400 step time: 00:00:00.017949 Performance: 125.216 ns/day 0.192 hours/ns 7.246 steps/s 2023-04-08 03:39:29,987 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 410400 82080 50.291 -36249 5511.9 -41761 -41761 7.2057 3.3967 0.91063 6.5935e+05 2023-04-08 03:39:31,782 INFO [main.py:643]
{rank 0/100} MD step = 410500 step time: 00:00:00.018110 Performance: 125.186 ns/day 0.192 hours/ns 7.245 steps/s 2023-04-08 03:39:45,359 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 410500 82100 50.062 -36059 5486.9 -41545 -41545 7.2075 3.3969 0.91083 6.5954e+05 2023-04-08 03:39:47,160 INFO [main.py:643]
{rank 0/100} MD step = 410600 step time: 00:00:00.017976 Performance: 125.183 ns/day 0.192 hours/ns 7.244 steps/s 2023-04-08 03:40:08,839 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 410600 82120 50.461 -36147 5530.6 -41678 -41678 7.2091 3.3959 0.91118 6.5968e+05 2023-04-08 03:40:10,750 INFO [main.py:643]
{rank 0/100} MD step = 410700 step time: 00:00:00.018358 Performance: 125.161 ns/day 0.192 hours/ns 7.243 steps/s 2023-04-08 03:40:53,906 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 410700 82140 49.918 -36221 5471.1 -41692 -41692 7.2101 3.397 0.91215 6.5983e+05 2023-04-08 03:40:55,950 INFO [main.py:643]
{rank 0/100} MD step = 410800 step time: 00:00:00.017912 Performance: 125.092 ns/day 0.192 hours/ns 7.239 steps/s 2023-04-08 03:40:57,080 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 410800 82160 49.981 -36141 5478 -41619 -41619 7.212 3.3974 0.91225 6.6e+05 2023-04-08 03:41:01,999 INFO [main.py:643]
{rank 0/100} MD step = 410900 step time: 00:00:00.018055 Performance: 125.109 ns/day 0.192 hours/ns 7.240 steps/s 2023-04-08 03:41:12,715 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 410900 82180 50.365 -36157 5520.1 -41677 -41677 7.2119 3.398 0.9115 6.6019e+05 2023-04-08 03:41:14,682 INFO [main.py:643]
{rank 0/100} MD step = 411000 step time: 00:00:00.017931 Performance: 125.112 ns/day 0.192 hours/ns 7.240 steps/s 2023-04-08 03:41:20,293 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 411000 82200 50.275 -36211 5510.2 -41721 -41721 7.2129 3.3982 0.91087 6.6034e+05 2023-04-08 03:41:22,137 INFO [main.py:643]
{rank 0/100} MD step = 411100 step time: 00:00:00.018238 Performance: 125.126 ns/day 0.192 hours/ns 7.241 steps/s 2023-04-08 03:41:30,959 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 411100 82220 49.624 -36351 5438.8 -41790 -41790 7.2143 3.3992 0.9115 6.6052e+05 2023-04-08 03:41:32,830 INFO [main.py:643]
{rank 0/100} MD step = 411200 step time: 00:00:00.018001 Performance: 125.132 ns/day 0.192 hours/ns 7.241 steps/s 2023-04-08 03:41:45,568 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 411200 82240 50.125 -36129 5493.7 -41623 -41623 7.2151 3.3999 0.91297 6.6071e+05 2023-04-08 03:41:47,370 INFO [main.py:643]
{rank 0/100} MD step = 411300 step time: 00:00:00.017808 Performance: 125.131 ns/day 0.192 hours/ns 7.241 steps/s 2023-04-08 03:42:30,933 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 411300 82260 49.623 -36250 5438.8 -41689 -41689 7.2152 3.4012 0.91221 6.6087e+05 2023-04-08 03:42:32,755 INFO [main.py:643]
{rank 0/100} MD step = 411400 step time: 00:00:00.018224 Performance: 125.061 ns/day 0.192 hours/ns 7.237 steps/s 2023-04-08 03:42:58,292 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 411400 82280 50.224 -36220 5504.7 -41725 -41725 7.2176 3.403 0.91283 6.6104e+05 2023-04-08 03:43:00,395 INFO [main.py:643]
{rank 0/100} MD step = 411500 step time: 00:00:00.017995 Performance: 125.031 ns/day 0.192 hours/ns 7.236 steps/s 2023-04-08 03:43:05,413 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 411500 82300 50.094 -36297 5490.4 -41788 -41788 7.2179 3.4042 0.91264 6.6119e+05 2023-04-08 03:43:11,222 INFO [main.py:643]
{rank 0/100} MD step = 411600 step time: 00:00:00.017838 Performance: 125.038 ns/day 0.192 hours/ns 7.236 steps/s 2023-04-08 03:43:33,143 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 411600 82320 50.495 -36189 5534.3 -41723 -41723 7.2183 3.4056 0.9132 6.6133e+05 2023-04-08 03:43:34,942 INFO [main.py:643]
{rank 0/100} MD step = 411700 step time: 00:00:00.017932 Performance: 125.016 ns/day 0.192 hours/ns 7.235 steps/s 2023-04-08 03:43:37,096 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 411700 82340 49.876 -36163 5466.4 -41629 -41629 7.2187 3.4052 0.91191 6.6151e+05 2023-04-08 03:43:43,459 INFO [main.py:643]
{rank 0/100} MD step = 411800 step time: 00:00:00.017982 Performance: 125.027 ns/day 0.192 hours/ns 7.235 steps/s 2023-04-08 03:44:09,571 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 411800 82360 49.868 -36260 5465.5 -41725 -41725 7.2173 3.4059 0.91114 6.6165e+05 2023-04-08 03:44:11,422 INFO [main.py:643]
{rank 0/100} MD step = 411900 step time: 00:00:00.017939 Performance: 124.996 ns/day 0.192 hours/ns 7.234 steps/s 2023-04-08 03:44:41,572 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 411900 82380 50.508 -36235 5535.7 -41771 -41771 7.2182 3.4082 0.91146 6.6181e+05 2023-04-08 03:44:43,656 INFO [main.py:643]
{rank 0/100} MD step = 412000 step time: 00:00:00.017909 Performance: 124.956 ns/day 0.192 hours/ns 7.231 steps/s 2023-04-08 03:45:05,046 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 412000 82400 50.163 -36170 5497.9 -41668 -41668 7.2175 3.4082 0.90991 6.6201e+05 2023-04-08 03:45:06,956 INFO [main.py:643]
{rank 0/100} MD step = 412100 step time: 00:00:00.017975 Performance: 124.935 ns/day 0.192 hours/ns 7.230 steps/s 2023-04-08 03:45:43,978 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 412100 82420 50.351 -36269 5518.5 -41787 -41787 7.2177 3.4107 0.9082 6.6215e+05 2023-04-08 03:45:46,122 INFO [main.py:643]
{rank 0/100} MD step = 412200 step time: 00:00:00.018060 Performance: 124.880 ns/day 0.192 hours/ns 7.227 steps/s 2023-04-08 03:46:27,660 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 412200 82440 49.91 -36279 5470.2 -41749 -41749 7.221 3.412 0.90646 6.6232e+05 2023-04-08 03:46:29,789 INFO [main.py:643]
{rank 0/100} MD step = 412300 step time: 00:00:00.017882 Performance: 124.814 ns/day 0.192 hours/ns 7.223 steps/s 2023-04-08 03:46:43,966 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 412300 82460 49.627 -36286 5439.2 -41725 -41725 7.2212 3.4129 0.9071 6.6248e+05 2023-04-08 03:46:52,538 INFO [main.py:643]
{rank 0/100} MD step = 412400 step time: 00:00:00.017877 Performance: 124.795 ns/day 0.192 hours/ns 7.222 steps/s 2023-04-08 03:47:09,748 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 412400 82480 50.094 -36209 5490.3 -41699 -41699 7.2211 3.4141 0.90706 6.6262e+05 2023-04-08 03:47:15,699 INFO [main.py:643]
{rank 0/100} MD step = 412500 step time: 00:00:00.017876 Performance: 124.775 ns/day 0.192 hours/ns 7.221 steps/s 2023-04-08 03:47:48,870 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 412500 82500 49.833 -36262 5461.7 -41724 -41724 7.219 3.4155 0.90727 6.6277e+05 2023-04-08 03:47:50,779 INFO [main.py:643]
{rank 0/100} MD step = 412600 step time: 00:00:00.017960 Performance: 124.728 ns/day 0.192 hours/ns 7.218 steps/s 2023-04-08 03:48:03,972 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 412600 82520 49.676 -36213 5444.5 -41657 -41657 7.2182 3.4161 0.90544 6.6293e+05 2023-04-08 03:48:06,137 INFO [main.py:643]
{rank 0/100} MD step = 412700 step time: 00:00:00.017948 Performance: 124.725 ns/day 0.192 hours/ns 7.218 steps/s 2023-04-08 03:48:27,102 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 412700 82540 49.661 -36223 5443 -41666 -41666 7.2183 3.4185 0.90382 6.6312e+05 2023-04-08 03:48:32,947 INFO [main.py:643]
{rank 0/100} MD step = 412800 step time: 00:00:00.018014 Performance: 124.697 ns/day 0.192 hours/ns 7.216 steps/s 2023-04-08 03:48:48,675 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 412800 82560 49.782 -36223 5456.1 -41679 -41679 7.2186 3.4192 0.90378 6.6328e+05 2023-04-08 03:48:58,779 INFO [main.py:643]
{rank 0/100} MD step = 412900 step time: 00:00:00.018051 Performance: 124.671 ns/day 0.193 hours/ns 7.215 steps/s 2023-04-08 03:49:08,112 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 412900 82580 49.867 -36279 5465.5 -41744 -41744 7.2197 3.4184 0.90363 6.6343e+05 2023-04-08 03:49:13,734 INFO [main.py:643]
{rank 0/100} MD step = 413000 step time: 00:00:00.018132 Performance: 124.668 ns/day 0.193 hours/ns 7.215 steps/s 2023-04-08 03:49:27,341 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 413000 82600 50.43 -36197 5527.2 -41724 -41724 7.2191 3.4186 0.90277 6.6356e+05 2023-04-08 03:49:29,159 INFO [main.py:643]
{rank 0/100} MD step = 413100 step time: 00:00:00.018026 Performance: 124.665 ns/day 0.193 hours/ns 7.214 steps/s 2023-04-08 03:49:42,588 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 413100 82620 49.897 -36178 5468.7 -41647 -41647 7.2176 3.4198 0.90172 6.6376e+05 2023-04-08 03:49:44,484 INFO [main.py:643]
{rank 0/100} MD step = 413200 step time: 00:00:00.018027 Performance: 124.662 ns/day 0.193 hours/ns 7.214 steps/s 2023-04-08 03:49:57,248 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 413200 82640 50.578 -36168 5543.4 -41711 -41711 7.2159 3.4198 0.90133 6.6391e+05 2023-04-08 03:49:59,132 INFO [main.py:643]
{rank 0/100} MD step = 413300 step time: 00:00:00.017867 Performance: 124.660 ns/day 0.193 hours/ns 7.214 steps/s 2023-04-08 03:50:25,250 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 413300 82660 49.281 -36304 5401.3 -41705 -41705 7.2167 3.4198 0.90166 6.6407e+05 2023-04-08 03:50:27,405 INFO [main.py:643]
{rank 0/100} MD step = 413400 step time: 00:00:00.017969 Performance: 124.629 ns/day 0.193 hours/ns 7.212 steps/s 2023-04-08 03:50:49,026 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 413400 82680 49.957 -36222 5475.3 -41697 -41697 7.2168 3.4184 0.90149 6.6423e+05 2023-04-08 03:50:50,834 INFO [main.py:643]
{rank 0/100} MD step = 413500 step time: 00:00:00.017976 Performance: 124.608 ns/day 0.193 hours/ns 7.211 steps/s 2023-04-08 03:51:16,635 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 413500 82700 51.54 -36089 5648.9 -41738 -41738 7.2189 3.4192 0.90047 6.6439e+05 2023-04-08 03:51:23,279 INFO [main.py:643]
{rank 0/100} MD step = 413600 step time: 00:00:00.018020 Performance: 124.568 ns/day 0.193 hours/ns 7.209 steps/s 2023-04-08 03:51:42,695 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 413600 82720 49.819 -36153 5460.2 -41613 -41613 7.219 3.4215 0.9005 6.6458e+05 2023-04-08 03:51:44,647 INFO [main.py:643]
{rank 0/100} MD step = 413700 step time: 00:00:00.018073 Performance: 124.551 ns/day 0.193 hours/ns 7.208 steps/s 2023-04-08 03:51:55,541 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 413700 82740 49.706 -36222 5447.9 -41670 -41670 7.2199 3.4225 0.9006 6.6472e+05 2023-04-08 03:51:57,699 INFO [main.py:643]
{rank 0/100} MD step = 413800 step time: 00:00:00.017904 Performance: 124.553 ns/day 0.193 hours/ns 7.208 steps/s 2023-04-08 03:52:19,106 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 413800 82760 50.393 -36257 5523.1 -41780 -41780 7.22 3.4233 0.89868 6.6488e+05 2023-04-08 03:52:21,028 INFO [main.py:643]
{rank 0/100} MD step = 413900 step time: 00:00:00.017962 Performance: 124.533 ns/day 0.193 hours/ns 7.207 steps/s 2023-04-08 03:52:30,852 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 413900 82780 50.116 -36128 5492.8 -41621 -41621 7.2212 3.4238 0.89948 6.6506e+05 2023-04-08 03:52:33,286 INFO [main.py:643]
{rank 0/100} MD step = 414000 step time: 00:00:00.017911 Performance: 124.536 ns/day 0.193 hours/ns 7.207 steps/s 2023-04-08 03:52:53,346 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 414000 82800 49.452 -36264 5420 -41684 -41684 7.2214 3.4232 0.90013 6.6522e+05 2023-04-08 03:52:55,363 INFO [main.py:643]
{rank 0/100} MD step = 414100 step time: 00:00:00.017831 Performance: 124.518 ns/day 0.193 hours/ns 7.206 steps/s 2023-04-08 03:53:08,328 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 414100 82820 50.028 -36323 5483.1 -41806 -41806 7.2224 3.4254 0.899 6.6533e+05 2023-04-08 03:53:10,716 INFO [main.py:643]
{rank 0/100} MD step = 414200 step time: 00:00:00.017962 Performance: 124.515 ns/day 0.193 hours/ns 7.206 steps/s 2023-04-08 03:53:36,369 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 414200 82840 50.488 -36219 5533.5 -41753 -41753 7.2249 3.4245 0.89936 6.6552e+05 2023-04-08 03:53:38,225 INFO [main.py:643]
{rank 0/100} MD step = 414300 step time: 00:00:00.018028 Performance: 124.486 ns/day 0.193 hours/ns 7.204 steps/s 2023-04-08 03:53:49,345 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 414300 82860 49.38 -36246 5412.1 -41658 -41658 7.2241 3.4244 0.89965 6.6572e+05 2023-04-08 03:53:51,270 INFO [main.py:643]
{rank 0/100} MD step = 414400 step time: 00:00:00.017992 Performance: 124.487 ns/day 0.193 hours/ns 7.204 steps/s 2023-04-08 03:54:02,743 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 414400 82880 49.863 -36346 5465 -41811 -41811 7.225 3.4247 0.89868 6.6584e+05 2023-04-08 03:54:04,538 INFO [main.py:643]
{rank 0/100} MD step = 414500 step time: 00:00:00.018036 Performance: 124.489 ns/day 0.193 hours/ns 7.204 steps/s 2023-04-08 03:54:12,907 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 414500 82900 49.372 -36319 5411.2 -41730 -41730 7.2235 3.4255 0.8989 6.6603e+05 2023-04-08 03:54:27,673 INFO [main.py:643]
{rank 0/100} MD step = 414600 step time: 00:00:00.018006 Performance: 124.469 ns/day 0.193 hours/ns 7.203 steps/s 2023-04-08 03:54:44,811 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 414600 82920 49.143 -36366 5386.1 -41753 -41753 7.2259 3.4273 0.89889 6.6615e+05 2023-04-08 03:54:46,623 INFO [main.py:643]
{rank 0/100} MD step = 414700 step time: 00:00:00.019779 Performance: 124.458 ns/day 0.193 hours/ns 7.202 steps/s 2023-04-08 03:54:57,914 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 414700 82940 50.553 -36118 5540.6 -41659 -41659 7.2269 3.4268 0.89908 6.6635e+05 2023-04-08 03:54:59,806 INFO [main.py:643]
{rank 0/100} MD step = 414800 step time: 00:00:00.017964 Performance: 124.459 ns/day 0.193 hours/ns 7.203 steps/s 2023-04-08 03:55:21,525 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 414800 82960 49.468 -36343 5421.8 -41765 -41765 7.2283 3.4284 0.89847 6.6648e+05 2023-04-08 03:55:23,440 INFO [main.py:643]
{rank 0/100} MD step = 414900 step time: 00:00:00.018013 Performance: 124.438 ns/day 0.193 hours/ns 7.201 steps/s 2023-04-08 03:55:36,862 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 414900 82980 50.003 -36187 5480.4 -41667 -41667 7.2294 3.4285 0.89653 6.6663e+05 2023-04-08 03:55:38,825 INFO [main.py:643]
{rank 0/100} MD step = 415000 step time: 00:00:00.018373 Performance: 124.435 ns/day 0.193 hours/ns 7.201 steps/s 2023-04-08 03:55:43,382 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 415000 83000 50.182 -36256 5500 -41756 -41756 7.231 3.4301 0.8978 6.668e+05 2023-04-08 03:55:49,020 INFO [main.py:643]
{rank 0/100} MD step = 415100 step time: 00:00:00.018037 Performance: 124.443 ns/day 0.193 hours/ns 7.202 steps/s 2023-04-08 03:56:12,564 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 415100 83020 49.917 -36238 5470.9 -41709 -41709 7.2318 3.4295 0.89944 6.6694e+05 2023-04-08 03:56:17,243 INFO [main.py:643]
{rank 0/100} MD step = 415200 step time: 00:00:00.018082 Performance: 124.412 ns/day 0.193 hours/ns 7.200 steps/s 2023-04-08 03:56:39,119 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 415200 83040 50.095 -36223 5490.5 -41714 -41714 7.2324 3.4321 0.89963 6.6712e+05 2023-04-08 03:56:41,003 INFO [main.py:643]
{rank 0/100} MD step = 415300 step time: 00:00:00.018179 Performance: 124.391 ns/day 0.193 hours/ns 7.199 steps/s 2023-04-08 03:57:10,971 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 415300 83060 49.995 -36160 5479.5 -41640 -41640 7.2301 3.4338 0.89963 6.6732e+05 2023-04-08 03:57:21,316 INFO [main.py:643]
{rank 0/100} MD step = 415400 step time: 00:00:00.018149 Performance: 124.334 ns/day 0.193 hours/ns 7.195 steps/s 2023-04-08 03:58:13,363 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 415400 83080 50.378 -36063 5521.4 -41585 -41585 7.2301 3.4336 0.89946 6.6749e+05 2023-04-08 03:58:15,233 INFO [main.py:643]
{rank 0/100} MD step = 415500 step time: 00:00:00.017893 Performance: 124.248 ns/day 0.193 hours/ns 7.190 steps/s 2023-04-08 03:58:32,828 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 415500 83100 49.637 -36312 5440.2 -41752 -41752 7.231 3.433 0.89937 6.6761e+05 2023-04-08 03:58:34,648 INFO [main.py:643]
{rank 0/100} MD step = 415600 step time: 00:00:00.017833 Performance: 124.236 ns/day 0.193 hours/ns 7.190 steps/s 2023-04-08 03:59:26,361 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 415600 83120 49.043 -36273 5375.2 -41648 -41648 7.2306 3.4335 0.90024 6.6776e+05 2023-04-08 03:59:28,259 INFO [main.py:643]
{rank 0/100} MD step = 415700 step time: 00:00:00.017928 Performance: 124.151 ns/day 0.193 hours/ns 7.185 steps/s 2023-04-08 03:59:54,447 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 415700 83140 50.26 -36130 5508.6 -41639 -41639 7.2287 3.4332 0.90032 6.6792e+05 2023-04-08 03:59:56,281 INFO [main.py:643]
{rank 0/100} MD step = 415800 step time: 00:00:00.018351 Performance: 124.120 ns/day 0.193 hours/ns 7.183 steps/s 2023-04-08 04:00:07,446 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 415800 83160 50.246 -36136 5507.1 -41643 -41643 7.2276 3.433 0.90045 6.6809e+05 2023-04-08 04:00:09,274 INFO [main.py:643]
{rank 0/100} MD step = 415900 step time: 00:00:00.017996 Performance: 124.122 ns/day 0.193 hours/ns 7.183 steps/s 2023-04-08 04:00:18,278 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 415900 83180 49.681 -36259 5445.1 -41705 -41705 7.2285 3.4327 0.89969 6.6827e+05 2023-04-08 04:00:20,082 INFO [main.py:643]
{rank 0/100} MD step = 416000 step time: 00:00:00.017970 Performance: 124.129 ns/day 0.193 hours/ns 7.183 steps/s 2023-04-08 04:00:36,103 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 416000 83200 50.296 -36255 5512.6 -41767 -41767 7.2302 3.4349 0.89868 6.684e+05 2023-04-08 04:00:38,046 INFO [main.py:643]
{rank 0/100} MD step = 416100 step time: 00:00:00.018931 Performance: 124.120 ns/day 0.193 hours/ns 7.183 steps/s 2023-04-08 04:00:54,359 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 416100 83220 50.727 -36238 5559.7 -41798 -41798 7.2309 3.4341 0.89917 6.6854e+05 2023-04-08 04:00:56,289 INFO [main.py:643]
{rank 0/100} MD step = 416200 step time: 00:00:00.017887 Performance: 124.111 ns/day 0.193 hours/ns 7.182 steps/s 2023-04-08 04:01:05,090 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 416200 83240 49.823 -36257 5460.6 -41717 -41717 7.2312 3.4346 0.90059 6.6869e+05 2023-04-08 04:01:07,108 INFO [main.py:643]
{rank 0/100} MD step = 416300 step time: 00:00:00.018026 Performance: 124.118 ns/day 0.193 hours/ns 7.183 steps/s 2023-04-08 04:01:20,825 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 416300 83260 50.114 -36130 5492.6 -41622 -41622 7.2308 3.4344 0.90178 6.6888e+05 2023-04-08 04:01:26,877 INFO [main.py:643]
{rank 0/100} MD step = 416400 step time: 00:00:00.017957 Performance: 124.105 ns/day 0.193 hours/ns 7.182 steps/s 2023-04-08 04:01:31,620 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 416400 83280 51.124 -36134 5603.2 -41737 -41737 7.2314 3.4355 0.90194 6.6902e+05 2023-04-08 04:01:33,534 INFO [main.py:643]
{rank 0/100} MD step = 416500 step time: 00:00:00.017915 Performance: 124.121 ns/day 0.193 hours/ns 7.183 steps/s 2023-04-08 04:01:50,238 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 416500 83300 50.018 -36198 5482 -41680 -41680 7.2305 3.4355 0.89931 6.6917e+05 2023-04-08 04:01:52,620 INFO [main.py:643]
{rank 0/100} MD step = 416600 step time: 00:00:00.017848 Performance: 124.110 ns/day 0.193 hours/ns 7.182 steps/s 2023-04-08 04:01:56,786 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 416600 83320 49.942 -36159 5473.8 -41633 -41633 7.2326 3.4373 0.89931 6.6935e+05 2023-04-08 04:01:58,715 INFO [main.py:643]
{rank 0/100} MD step = 416700 step time: 00:00:00.018022 Performance: 124.126 ns/day 0.193 hours/ns 7.183 steps/s 2023-04-08 04:02:15,988 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 416700 83340 49.208 -36234 5393.3 -41628 -41628 7.2332 3.4383 0.89978 6.6952e+05 2023-04-08 04:02:18,034 INFO [main.py:643]
{rank 0/100} MD step = 416800 step time: 00:00:00.018337 Performance: 124.115 ns/day 0.193 hours/ns 7.183 steps/s 2023-04-08 04:02:30,929 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 416800 83360 49.448 -36270 5419.6 -41689 -41689 7.2332 3.4394 0.89866 6.6967e+05 2023-04-08 04:02:32,788 INFO [main.py:643]
{rank 0/100} MD step = 416900 step time: 00:00:00.018657 Performance: 124.113 ns/day 0.193 hours/ns 7.182 steps/s 2023-04-08 04:02:46,017 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 416900 83380 50.092 -36235 5490.2 -41725 -41725 7.2336 3.4396 0.89985 6.6984e+05 2023-04-08 04:02:47,926 INFO [main.py:643]
{rank 0/100} MD step = 417000 step time: 00:00:00.019153 Performance: 124.111 ns/day 0.193 hours/ns 7.182 steps/s 2023-04-08 04:03:10,467 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 417000 83400 50.185 -36101 5500.3 -41601 -41601 7.2335 3.4395 0.8996 6.7002e+05 2023-04-08 04:03:12,272 INFO [main.py:643]
{rank 0/100} MD step = 417100 step time: 00:00:00.017880 Performance: 124.088 ns/day 0.193 hours/ns 7.181 steps/s 2023-04-08 04:03:16,765 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 417100 83420 50.038 -36191 5484.3 -41675 -41675 7.235 3.4397 0.89987 6.7019e+05 2023-04-08 04:03:18,623 INFO [main.py:643]
{rank 0/100} MD step = 417200 step time: 00:00:00.018113 Performance: 124.104 ns/day 0.193 hours/ns 7.182 steps/s 2023-04-08 04:03:19,796 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 417200 83440 49.943 -36247 5473.9 -41721 -41721 7.2358 3.4398 0.901 6.7034e+05 2023-04-08 04:03:21,673 INFO [main.py:643]
{rank 0/100} MD step = 417300 step time: 00:00:00.018082 Performance: 124.128 ns/day 0.193 hours/ns 7.183 steps/s 2023-04-08 04:03:37,682 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 417300 83460 50.062 -36153 5486.9 -41640 -41640 7.2372 3.4398 0.90006 6.7052e+05 2023-04-08 04:03:39,510 INFO [main.py:643]
{rank 0/100} MD step = 417400 step time: 00:00:00.018042 Performance: 124.119 ns/day 0.193 hours/ns 7.183 steps/s 2023-04-08 04:03:44,633 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 417400 83480 49.798 -36284 5457.9 -41742 -41742 7.2378 3.4387 0.8993 6.7064e+05 2023-04-08 04:03:46,495 INFO [main.py:643]
{rank 0/100} MD step = 417500 step time: 00:00:00.017949 Performance: 124.134 ns/day 0.193 hours/ns 7.184 steps/s 2023-04-08 04:04:08,108 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 417500 83500 50.09 -36142 5490 -41632 -41632 7.2385 3.4404 0.90026 6.7083e+05 2023-04-08 04:04:09,954 INFO [main.py:643]
{rank 0/100} MD step = 417600 step time: 00:00:00.018093 Performance: 124.114 ns/day 0.193 hours/ns 7.183 steps/s 2023-04-08 04:04:27,330 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 417600 83520 49.645 -36161 5441.1 -41602 -41602 7.2399 3.4421 0.8999 6.7101e+05 2023-04-08 04:04:29,334 INFO [main.py:643]
{rank 0/100} MD step = 417700 step time: 00:00:00.018162 Performance: 124.102 ns/day 0.193 hours/ns 7.182 steps/s 2023-04-08 04:04:41,939 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 417700 83540 49.571 -36243 5433 -41676 -41676 7.2401 3.443 0.89864 6.7116e+05 2023-04-08 04:04:43,834 INFO [main.py:643]
{rank 0/100} MD step = 417800 step time: 00:00:00.017864 Performance: 124.101 ns/day 0.193 hours/ns 7.182 steps/s 2023-04-08 04:05:01,439 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 417800 83560 50.047 -36101 5485.2 -41586 -41586 7.2405 3.4436 0.8982 6.7135e+05 2023-04-08 04:05:03,240 INFO [main.py:643]
{rank 0/100} MD step = 417900 step time: 00:00:00.018391 Performance: 124.089 ns/day 0.193 hours/ns 7.181 steps/s 2023-04-08 04:05:16,617 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 417900 83580 49.967 -36217 5476.5 -41693 -41693 7.2403 3.4445 0.89801 6.7147e+05 2023-04-08 04:05:18,421 INFO [main.py:643]
{rank 0/100} MD step = 418000 step time: 00:00:00.018125 Performance: 124.087 ns/day 0.193 hours/ns 7.181 steps/s 2023-04-08 04:05:22,949 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 418000 83600 50.201 -36178 5502.1 -41680 -41680 7.2423 3.4447 0.89719 6.7161e+05 2023-04-08 04:05:24,943 INFO [main.py:643]
{rank 0/100} MD step = 418100 step time: 00:00:00.018075 Performance: 124.102 ns/day 0.193 hours/ns 7.182 steps/s 2023-04-08 04:05:30,188 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 418100 83620 49.537 -36206 5429.3 -41636 -41636 7.2449 3.4448 0.8987 6.7178e+05 2023-04-08 04:05:32,042 INFO [main.py:643]
{rank 0/100} MD step = 418200 step time: 00:00:00.017980 Performance: 124.117 ns/day 0.193 hours/ns 7.183 steps/s 2023-04-08 04:05:57,272 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 418200 83640 50.314 -36105 5514.5 -41619 -41619 7.2423 3.4474 0.89818 6.7194e+05 2023-04-08 04:05:59,270 INFO [main.py:643]
{rank 0/100} MD step = 418300 step time: 00:00:00.017964 Performance: 124.088 ns/day 0.193 hours/ns 7.181 steps/s 2023-04-08 04:06:00,815 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 418300 83660 50.166 -36192 5498.2 -41690 -41690 7.243 3.448 0.89836 6.7209e+05 2023-04-08 04:06:02,748 INFO [main.py:643]
{rank 0/100} MD step = 418400 step time: 00:00:00.018146 Performance: 124.111 ns/day 0.193 hours/ns 7.182 steps/s 2023-04-08 04:06:12,278 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 418400 83680 50.248 -36252 5507.3 -41759 -41759 7.2447 3.4482 0.89936 6.7224e+05 2023-04-08 04:06:14,400 INFO [main.py:643]
{rank 0/100} MD step = 418500 step time: 00:00:00.018123 Performance: 124.116 ns/day 0.193 hours/ns 7.183 steps/s 2023-04-08 04:06:15,748 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 418500 83700 49.827 -36202 5461.1 -41663 -41663 7.2472 3.448 0.89938 6.724e+05 2023-04-08 04:06:17,574 INFO [main.py:643]
{rank 0/100} MD step = 418600 step time: 00:00:00.017773 Performance: 124.138 ns/day 0.193 hours/ns 7.184 steps/s 2023-04-08 04:06:39,924 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 418600 83720 49.706 -36289 5447.9 -41737 -41737 7.2471 3.4491 0.89833 6.7256e+05 2023-04-08 04:06:41,906 INFO [main.py:643]
{rank 0/100} MD step = 418700 step time: 00:00:00.018535 Performance: 124.116 ns/day 0.193 hours/ns 7.183 steps/s 2023-04-08 04:06:50,931 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 418700 83740 49.336 -36209 5407.3 -41616 -41616 7.2455 3.4493 0.89813 6.7273e+05 2023-04-08 04:06:52,874 INFO [main.py:643]
{rank 0/100} MD step = 418800 step time: 00:00:00.018107 Performance: 124.123 ns/day 0.193 hours/ns 7.183 steps/s 2023-04-08 04:07:02,070 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 418800 83760 50.69 -36119 5555.7 -41675 -41675 7.2453 3.4509 0.8978 6.7289e+05 2023-04-08 04:07:07,516 INFO [main.py:643]
{rank 0/100} MD step = 418900 step time: 00:00:00.017999 Performance: 124.121 ns/day 0.193 hours/ns 7.183 steps/s 2023-04-08 04:07:15,411 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 418900 83780 49.468 -36278 5421.8 -41700 -41700 7.2457 3.4526 0.89734 6.7306e+05 2023-04-08 04:07:17,270 INFO [main.py:643]
{rank 0/100} MD step = 419000 step time: 00:00:00.018223 Performance: 124.130 ns/day 0.193 hours/ns 7.183 steps/s 2023-04-08 04:07:25,066 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 419000 83800 50.509 -36070 5535.8 -41605 -41605 7.2461 3.4542 0.89527 6.7322e+05 2023-04-08 04:07:26,899 INFO [main.py:643]
{rank 0/100} MD step = 419100 step time: 00:00:00.018077 Performance: 124.139 ns/day 0.193 hours/ns 7.184 steps/s 2023-04-08 04:07:44,485 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 419100 83820 49.954 -36291 5475.1 -41766 -41766 7.2451 3.4544 0.89468 6.7338e+05 2023-04-08 04:07:50,589 INFO [main.py:643]
{rank 0/100} MD step = 419200 step time: 00:00:00.017840 Performance: 124.118 ns/day 0.193 hours/ns 7.183 steps/s 2023-04-08 04:08:21,261 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 419200 83840 49.694 -36150 5446.5 -41597 -41597 7.2435 3.4536 0.89466 6.7353e+05 2023-04-08 04:08:23,276 INFO [main.py:643]
{rank 0/100} MD step = 419300 step time: 00:00:00.018029 Performance: 124.078 ns/day 0.193 hours/ns 7.180 steps/s 2023-04-08 04:08:29,289 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 419300 83860 49.719 -36141 5449.3 -41591 -41591 7.2443 3.4544 0.89373 6.7371e+05 2023-04-08 04:08:31,292 INFO [main.py:643]
{rank 0/100} MD step = 419400 step time: 00:00:00.017966 Performance: 124.091 ns/day 0.193 hours/ns 7.181 steps/s 2023-04-08 04:08:40,813 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 419400 83880 49.227 -36208 5395.4 -41604 -41604 7.2467 3.4562 0.89163 6.7386e+05 2023-04-08 04:08:42,660 INFO [main.py:643]
{rank 0/100} MD step = 419500 step time: 00:00:00.018004 Performance: 124.096 ns/day 0.193 hours/ns 7.182 steps/s 2023-04-08 04:09:04,299 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 419500 83900 50.186 -36213 5500.4 -41714 -41714 7.2466 3.4559 0.89296 6.7401e+05 2023-04-08 04:09:06,294 INFO [main.py:643]
{rank 0/100} MD step = 419600 step time: 00:00:00.017830 Performance: 124.076 ns/day 0.193 hours/ns 7.180 steps/s 2023-04-08 04:09:11,068 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 419600 83920 49.984 -36345 5478.3 -41824 -41824 7.2464 3.4567 0.89296 6.7413e+05 2023-04-08 04:09:13,042 INFO [main.py:643]
{rank 0/100} MD step = 419700 step time: 00:00:00.018036 Performance: 124.091 ns/day 0.193 hours/ns 7.181 steps/s 2023-04-08 04:09:21,283 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 419700 83940 49.3 -36221 5403.3 -41625 -41625 7.2486 3.4571 0.89085 6.7432e+05 2023-04-08 04:09:23,209 INFO [main.py:643]
{rank 0/100} MD step = 419800 step time: 00:00:00.025192 Performance: 124.099 ns/day 0.193 hours/ns 7.182 steps/s 2023-04-08 04:09:27,982 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 419800 83960 49.741 -36253 5451.7 -41705 -41705 7.249 3.4585 0.88965 6.7446e+05 2023-04-08 04:09:29,918 INFO [main.py:643]
{rank 0/100} MD step = 419900 step time: 00:00:00.018060 Performance: 124.114 ns/day 0.193 hours/ns 7.183 steps/s 2023-04-08 04:09:42,717 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 419900 83980 49.958 -36209 5475.5 -41684 -41684 7.251 3.4586 0.88879 6.7464e+05 2023-04-08 04:09:44,723 INFO [main.py:643]
{rank 0/100} MD step = 420000 step time: 00:00:00.018056 Performance: 124.112 ns/day 0.193 hours/ns 7.182 steps/s 2023-04-08 04:09:49,893 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 420000 84000 49.674 -36120 5444.4 -41565 -41565 7.2522 3.4587 0.88891 6.748e+05 2023-04-08 04:09:51,847 INFO [main.py:643]
{rank 0/100} MD step = 420100 step time: 00:00:00.018007 Performance: 124.127 ns/day 0.193 hours/ns 7.183 steps/s 2023-04-08 04:09:56,838 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 420100 84020 50.42 -36167 5526.1 -41693 -41693 7.2536 3.4588 0.88897 6.7496e+05 2023-04-08 04:09:58,696 INFO [main.py:643]
{rank 0/100} MD step = 420200 step time: 00:00:00.017898 Performance: 124.142 ns/day 0.193 hours/ns 7.184 steps/s 2023-04-08 04:10:02,134 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 420200 84040 50.231 -36165 5505.4 -41670 -41670 7.255 3.4589 0.88802 6.7512e+05 2023-04-08 04:10:04,002 INFO [main.py:643]
{rank 0/100} MD step = 420300 step time: 00:00:00.019842 Performance: 124.160 ns/day 0.193 hours/ns 7.185 steps/s 2023-04-08 04:10:08,541 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 420300 84060 49.743 -36268 5451.9 -41720 -41720 7.2559 3.4599 0.88723 6.7529e+05 2023-04-08 04:10:10,636 INFO [main.py:643]
{rank 0/100} MD step = 420400 step time: 00:00:00.018070 Performance: 124.176 ns/day 0.193 hours/ns 7.186 steps/s 2023-04-08 04:10:23,366 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 420400 84080 49.01 -36303 5371.6 -41675 -41675 7.256 3.4612 0.88761 6.7545e+05 2023-04-08 04:10:25,374 INFO [main.py:643]
{rank 0/100} MD step = 420500 step time: 00:00:00.017985 Performance: 124.174 ns/day 0.193 hours/ns 7.186 steps/s 2023-04-08 04:10:38,416 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 420500 84100 49.598 -36319 5436 -41755 -41755 7.256 3.4617 0.88642 6.7559e+05 2023-04-08 04:10:40,310 INFO [main.py:643]
{rank 0/100} MD step = 420600 step time: 00:00:00.017844 Performance: 124.172 ns/day 0.193 hours/ns 7.186 steps/s 2023-04-08 04:10:49,401 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 420600 84120 50.122 -36216 5493.5 -41709 -41709 7.2549 3.4614 0.88695 6.7577e+05 2023-04-08 04:10:51,391 INFO [main.py:643]
{rank 0/100} MD step = 420700 step time: 00:00:00.017982 Performance: 124.178 ns/day 0.193 hours/ns 7.186 steps/s 2023-04-08 04:11:00,125 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 420700 84140 49.803 -36182 5458.4 -41641 -41641 7.2542 3.4614 0.88717 6.7595e+05 2023-04-08 04:11:01,981 INFO [main.py:643]
{rank 0/100} MD step = 420800 step time: 00:00:00.017866 Performance: 124.185 ns/day 0.193 hours/ns 7.187 steps/s 2023-04-08 04:11:15,037 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 420800 84160 50.826 -36132 5570.6 -41703 -41703 7.2551 3.4626 0.88622 6.7612e+05 2023-04-08 04:11:16,983 INFO [main.py:643]
{rank 0/100} MD step = 420900 step time: 00:00:00.018072 Performance: 124.182 ns/day 0.193 hours/ns 7.186 steps/s 2023-04-08 04:11:18,195 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 420900 84180 50.174 -36282 5499.2 -41781 -41781 7.2561 3.4619 0.88732 6.7629e+05 2023-04-08 04:11:20,047 INFO [main.py:643]
{rank 0/100} MD step = 421000 step time: 00:00:00.017938 Performance: 124.205 ns/day 0.193 hours/ns 7.188 steps/s 2023-04-08 04:11:21,127 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 421000 84200 49.78 -36270 5455.9 -41726 -41726 7.2551 3.4623 0.88668 6.7643e+05 2023-04-08 04:11:25,253 INFO [main.py:643]
{rank 0/100} MD step = 421100 step time: 00:00:00.018008 Performance: 124.224 ns/day 0.193 hours/ns 7.189 steps/s 2023-04-08 04:11:26,403 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 421100 84220 50.465 -36159 5531 -41690 -41690 7.2548 3.4615 0.88656 6.766e+05 2023-04-08 04:11:28,282 INFO [main.py:643]
{rank 0/100} MD step = 421200 step time: 00:00:00.018224 Performance: 124.247 ns/day 0.193 hours/ns 7.190 steps/s 2023-04-08 04:11:36,619 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 421200 84240 49.285 -36240 5401.7 -41641 -41641 7.2572 3.4615 0.88615 6.7675e+05 2023-04-08 04:11:38,558 INFO [main.py:643]
{rank 0/100} MD step = 421300 step time: 00:00:00.017969 Performance: 124.255 ns/day 0.193 hours/ns 7.191 steps/s 2023-04-08 04:12:04,305 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 421300 84260 50.092 -36114 5490.1 -41604 -41604 7.2574 3.4621 0.88672 6.769e+05 2023-04-08 04:12:06,426 INFO [main.py:643]
{rank 0/100} MD step = 421400 step time: 00:00:00.018074 Performance: 124.225 ns/day 0.193 hours/ns 7.189 steps/s 2023-04-08 04:12:24,387 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 421400 84280 50.224 -36201 5504.6 -41705 -41705 7.2596 3.4628 0.88754 6.7704e+05 2023-04-08 04:12:26,476 INFO [main.py:643]
{rank 0/100} MD step = 421500 step time: 00:00:00.017977 Performance: 124.212 ns/day 0.193 hours/ns 7.188 steps/s 2023-04-08 04:12:39,002 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 421500 84300 50.392 -36205 5523.1 -41728 -41728 7.2613 3.4628 0.88762 6.7721e+05 2023-04-08 04:12:40,802 INFO [main.py:643]
{rank 0/100} MD step = 421600 step time: 00:00:00.017982 Performance: 124.211 ns/day 0.193 hours/ns 7.188 steps/s 2023-04-08 04:12:56,145 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 421600 84320 50.063 -36314 5487 -41801 -41801 7.2612 3.4638 0.88546 6.7735e+05 2023-04-08 04:12:58,193 INFO [main.py:643]
{rank 0/100} MD step = 421700 step time: 00:00:00.017885 Performance: 124.204 ns/day 0.193 hours/ns 7.188 steps/s 2023-04-08 04:13:14,906 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 421700 84340 49.42 -36378 5416.5 -41795 -41795 7.2623 3.4645 0.88759 6.775e+05 2023-04-08 04:13:16,813 INFO [main.py:643]
{rank 0/100} MD step = 421800 step time: 00:00:00.018084 Performance: 124.194 ns/day 0.193 hours/ns 7.187 steps/s 2023-04-08 04:14:00,056 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 421800 84360 50.039 -36212 5484.3 -41696 -41696 7.2633 3.4644 0.88641 6.7771e+05 2023-04-08 04:14:02,063 INFO [main.py:643]
{rank 0/100} MD step = 421900 step time: 00:00:00.017971 Performance: 124.128 ns/day 0.193 hours/ns 7.183 steps/s 2023-04-08 04:14:05,495 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 421900 84380 50.299 -36040 5512.8 -41553 -41553 7.2637 3.4682 0.88664 6.7789e+05 2023-04-08 04:14:07,342 INFO [main.py:643]
{rank 0/100} MD step = 422000 step time: 00:00:00.018051 Performance: 124.146 ns/day 0.193 hours/ns 7.184 steps/s 2023-04-08 04:14:16,010 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 422000 84400 50.228 -36266 5505 -41771 -41771 7.2657 3.4685 0.88538 6.7804e+05 2023-04-08 04:14:17,937 INFO [main.py:643]
{rank 0/100} MD step = 422100 step time: 00:00:00.017860 Performance: 124.153 ns/day 0.193 hours/ns 7.185 steps/s 2023-04-08 04:14:26,321 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 422100 84420 50.365 -36076 5520.1 -41596 -41596 7.2665 3.4677 0.88403 6.7819e+05 2023-04-08 04:14:28,183 INFO [main.py:643]
{rank 0/100} MD step = 422200 step time: 00:00:00.017994 Performance: 124.161 ns/day 0.193 hours/ns 7.185 steps/s 2023-04-08 04:14:41,692 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 422200 84440 50.209 -36197 5502.9 -41700 -41700 7.2657 3.4672 0.88394 6.7832e+05 2023-04-08 04:14:43,580 INFO [main.py:643]
{rank 0/100} MD step = 422300 step time: 00:00:00.017935 Performance: 124.158 ns/day 0.193 hours/ns 7.185 steps/s 2023-04-08 04:15:00,605 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 422300 84460 49.943 -36192 5473.8 -41666 -41666 7.2684 3.4677 0.88251 6.785e+05 2023-04-08 04:15:02,424 INFO [main.py:643]
{rank 0/100} MD step = 422400 step time: 00:00:00.017913 Performance: 124.147 ns/day 0.193 hours/ns 7.184 steps/s 2023-04-08 04:15:24,848 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 422400 84480 49.793 -36237 5457.4 -41694 -41694 7.2678 3.4681 0.88308 6.7865e+05 2023-04-08 04:15:26,645 INFO [main.py:643]
{rank 0/100} MD step = 422500 step time: 00:00:00.018041 Performance: 124.125 ns/day 0.193 hours/ns 7.183 steps/s 2023-04-08 04:15:31,831 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 422500 84500 49.964 -36280 5476.1 -41756 -41756 7.2672 3.4693 0.88288 6.788e+05 2023-04-08 04:15:33,742 INFO [main.py:643]
{rank 0/100} MD step = 422600 step time: 00:00:00.018061 Performance: 124.140 ns/day 0.193 hours/ns 7.184 steps/s 2023-04-08 04:15:52,571 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 422600 84520 49.724 -36179 5449.8 -41629 -41629 7.2671 3.4705 0.8839 6.7898e+05 2023-04-08 04:15:54,395 INFO [main.py:643]
{rank 0/100} MD step = 422700 step time: 00:00:00.017938 Performance: 124.126 ns/day 0.193 hours/ns 7.183 steps/s 2023-04-08 04:16:07,379 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 422700 84540 50.081 -36109 5489 -41598 -41598 7.2686 3.47 0.88493 6.7915e+05 2023-04-08 04:16:10,022 INFO [main.py:643]
{rank 0/100} MD step = 422800 step time: 00:00:00.017870 Performance: 124.122 ns/day 0.193 hours/ns 7.183 steps/s 2023-04-08 04:16:33,453 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 422800 84560 50.364 -36030 5519.9 -41550 -41550 7.2693 3.4704 0.88676 6.7932e+05 2023-04-08 04:16:35,415 INFO [main.py:643]
{rank 0/100} MD step = 422900 step time: 00:00:00.017918 Performance: 124.098 ns/day 0.193 hours/ns 7.182 steps/s 2023-04-08 04:16:51,983 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 422900 84580 49.428 -36228 5417.4 -41646 -41646 7.2682 3.4712 0.88672 6.7946e+05 2023-04-08 04:16:58,263 INFO [main.py:643]
{rank 0/100} MD step = 423000 step time: 00:00:00.017874 Performance: 124.079 ns/day 0.193 hours/ns 7.180 steps/s 2023-04-08 04:17:11,482 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 423000 84600 50.465 -36200 5531 -41731 -41731 7.2663 3.4719 0.88677 6.7962e+05 2023-04-08 04:17:13,850 INFO [main.py:643]
{rank 0/100} MD step = 423100 step time: 00:00:00.018100 Performance: 124.076 ns/day 0.193 hours/ns 7.180 steps/s 2023-04-08 04:17:26,539 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 423100 84620 50.378 -36171 5521.5 -41692 -41692 7.2656 3.4715 0.88587 6.7977e+05 2023-04-08 04:17:28,429 INFO [main.py:643]
{rank 0/100} MD step = 423200 step time: 00:00:00.018280 Performance: 124.074 ns/day 0.193 hours/ns 7.180 steps/s 2023-04-08 04:17:33,386 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 423200 84640 49.583 -36318 5434.4 -41752 -41752 7.2657 3.4719 0.88649 6.7993e+05 2023-04-08 04:17:35,409 INFO [main.py:643]
{rank 0/100} MD step = 423300 step time: 00:00:00.017966 Performance: 124.089 ns/day 0.193 hours/ns 7.181 steps/s 2023-04-08 04:17:47,809 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 423300 84660 49.625 -36322 5438.9 -41761 -41761 7.2656 3.4732 0.88586 6.801e+05 2023-04-08 04:17:49,716 INFO [main.py:643]
{rank 0/100} MD step = 423400 step time: 00:00:00.018337 Performance: 124.088 ns/day 0.193 hours/ns 7.181 steps/s 2023-04-08 04:18:10,163 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 423400 84680 49.651 -36289 5441.8 -41731 -41731 7.264 3.4741 0.88526 6.8022e+05 2023-04-08 04:18:12,044 INFO [main.py:643]
{rank 0/100} MD step = 423500 step time: 00:00:00.017886 Performance: 124.070 ns/day 0.193 hours/ns 7.180 steps/s 2023-04-08 04:18:20,473 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 423500 84700 49.167 -36262 5388.8 -41651 -41651 7.2649 3.4761 0.8851 6.8044e+05 2023-04-08 04:18:22,453 INFO [main.py:643]
{rank 0/100} MD step = 423600 step time: 00:00:00.017886 Performance: 124.078 ns/day 0.193 hours/ns 7.180 steps/s 2023-04-08 04:18:39,585 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 423600 84720 50.411 -36132 5525.1 -41657 -41657 7.2632 3.4755 0.88347 6.8058e+05 2023-04-08 04:18:41,625 INFO [main.py:643]
{rank 0/100} MD step = 423700 step time: 00:00:00.018041 Performance: 124.067 ns/day 0.193 hours/ns 7.180 steps/s 2023-04-08 04:18:46,371 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 423700 84740 50.41 -36220 5525 -41745 -41745 7.2642 3.4766 0.88331 6.8073e+05 2023-04-08 04:18:48,289 INFO [main.py:643]
{rank 0/100} MD step = 423800 step time: 00:00:00.017929 Performance: 124.082 ns/day 0.193 hours/ns 7.181 steps/s 2023-04-08 04:19:01,171 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 423800 84760 50.104 -36220 5491.4 -41712 -41712 7.2664 3.4779 0.88346 6.809e+05 2023-04-08 04:19:03,051 INFO [main.py:643]
{rank 0/100} MD step = 423900 step time: 00:00:00.017969 Performance: 124.080 ns/day 0.193 hours/ns 7.181 steps/s 2023-04-08 04:19:24,723 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 423900 84780 49.945 -36131 5474 -41605 -41605 7.2685 3.4771 0.88321 6.8108e+05 2023-04-08 04:19:26,620 INFO [main.py:643]
{rank 0/100} MD step = 424000 step time: 00:00:00.018140 Performance: 124.060 ns/day 0.193 hours/ns 7.179 steps/s 2023-04-08 04:19:44,183 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 424000 84800 50.285 -36212 5511.3 -41723 -41723 7.2673 3.477 0.88428 6.8123e+05 2023-04-08 04:19:46,031 INFO [main.py:643]
{rank 0/100} MD step = 424100 step time: 00:00:00.018175 Performance: 124.048 ns/day 0.193 hours/ns 7.179 steps/s 2023-04-08 04:20:03,289 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 424100 84820 50.132 -36362 5494.5 -41857 -41857 7.2651 3.479 0.88364 6.8138e+05 2023-04-08 04:20:05,089 INFO [main.py:643]
{rank 0/100} MD step = 424200 step time: 00:00:00.017997 Performance: 124.038 ns/day 0.193 hours/ns 7.178 steps/s 2023-04-08 04:20:23,042 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 424200 84840 49.695 -36285 5446.7 -41732 -41732 7.2673 3.4782 0.88426 6.8153e+05 2023-04-08 04:20:24,923 INFO [main.py:643]
{rank 0/100} MD step = 424300 step time: 00:00:00.018032 Performance: 124.025 ns/day 0.194 hours/ns 7.177 steps/s 2023-04-08 04:20:38,350 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 424300 84860 49.807 -36326 5458.9 -41785 -41785 7.2681 3.4799 0.88409 6.8167e+05 2023-04-08 04:20:40,262 INFO [main.py:643]
{rank 0/100} MD step = 424400 step time: 00:00:00.018020 Performance: 124.022 ns/day 0.194 hours/ns 7.177 steps/s 2023-04-08 04:20:44,943 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 424400 84880 50.592 -36189 5545 -41734 -41734 7.2676 3.4785 0.88386 6.8183e+05 2023-04-08 04:20:46,835 INFO [main.py:643]
{rank 0/100} MD step = 424500 step time: 00:00:00.017871 Performance: 124.038 ns/day 0.193 hours/ns 7.178 steps/s 2023-04-08 04:20:48,204 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 424500 84900 50.292 -36214 5512 -41726 -41726 7.2683 3.479 0.88312 6.8203e+05 2023-04-08 04:20:54,340 INFO [main.py:643]
{rank 0/100} MD step = 424600 step time: 00:00:00.017782 Performance: 124.051 ns/day 0.193 hours/ns 7.179 steps/s 2023-04-08 04:20:59,929 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 424600 84920 50.23 -36193 5505.3 -41699 -41699 7.2695 3.4797 0.88171 6.8218e+05 2023-04-08 04:21:01,768 INFO [main.py:643]
{rank 0/100} MD step = 424700 step time: 00:00:00.018046 Performance: 124.065 ns/day 0.193 hours/ns 7.180 steps/s 2023-04-08 04:21:09,761 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 424700 84940 50.239 -36124 5506.3 -41630 -41630 7.2705 3.4807 0.8815 6.8236e+05 2023-04-08 04:21:11,674 INFO [main.py:643]
{rank 0/100} MD step = 424800 step time: 00:00:00.017938 Performance: 124.073 ns/day 0.193 hours/ns 7.180 steps/s 2023-04-08 04:21:25,047 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 424800 84960 49.969 -36174 5476.6 -41651 -41651 7.2718 3.4806 0.88137 6.8253e+05 2023-04-08 04:21:27,258 INFO [main.py:643]
{rank 0/100} MD step = 424900 step time: 00:00:00.018089 Performance: 124.070 ns/day 0.193 hours/ns 7.180 steps/s 2023-04-08 04:21:44,461 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 424900 84980 49.493 -36260 5424.5 -41684 -41684 7.271 3.4805 0.88194 6.8266e+05 2023-04-08 04:21:46,335 INFO [main.py:643]
{rank 0/100} MD step = 425000 step time: 00:00:00.017960 Performance: 124.059 ns/day 0.193 hours/ns 7.179 steps/s 2023-04-08 04:22:04,006 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 425000 85000 49.754 -36272 5453.1 -41725 -41725 7.2727 3.4805 0.8811 6.8282e+05 2023-04-08 04:22:05,925 INFO [main.py:643]
{rank 0/100} MD step = 425100 step time: 00:00:00.018265 Performance: 124.047 ns/day 0.193 hours/ns 7.179 steps/s 2023-04-08 04:22:14,448 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 425100 85020 49.441 -36264 5418.8 -41683 -41683 7.273 3.4829 0.88146 6.83e+05 2023-04-08 04:22:16,444 INFO [main.py:643]
{rank 0/100} MD step = 425200 step time: 00:00:00.018150 Performance: 124.054 ns/day 0.193 hours/ns 7.179 steps/s 2023-04-08 04:22:34,060 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 425200 85040 51.004 -36198 5590.1 -41788 -41788 7.2718 3.4842 0.88032 6.8314e+05 2023-04-08 04:22:36,013 INFO [main.py:643]
{rank 0/100} MD step = 425300 step time: 00:00:00.019428 Performance: 124.043 ns/day 0.193 hours/ns 7.178 steps/s 2023-04-08 04:22:57,583 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 425300 85060 49.782 -36131 5456.2 -41587 -41587 7.2742 3.4854 0.87894 6.8332e+05 2023-04-08 04:23:03,211 INFO [main.py:643]
{rank 0/100} MD step = 425400 step time: 00:00:00.017854 Performance: 124.015 ns/day 0.194 hours/ns 7.177 steps/s 2023-04-08 04:23:12,230 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 425400 85080 50.166 -36274 5498.3 -41772 -41772 7.274 3.4864 0.87821 6.8347e+05 2023-04-08 04:23:14,147 INFO [main.py:643]
{rank 0/100} MD step = 425500 step time: 00:00:00.017976 Performance: 124.021 ns/day 0.194 hours/ns 7.177 steps/s 2023-04-08 04:23:44,454 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 425500 85100 49.995 -36218 5479.5 -41697 -41697 7.2744 3.4864 0.87882 6.8364e+05 2023-04-08 04:23:46,287 INFO [main.py:643]
{rank 0/100} MD step = 425600 step time: 00:00:00.017986 Performance: 123.983 ns/day 0.194 hours/ns 7.175 steps/s 2023-04-08 04:23:47,475 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 425600 85120 49.878 -36292 5466.7 -41758 -41758 7.2759 3.4888 0.88111 6.8379e+05 2023-04-08 04:23:49,343 INFO [main.py:643]
{rank 0/100} MD step = 425700 step time: 00:00:00.018000 Performance: 124.006 ns/day 0.194 hours/ns 7.176 steps/s 2023-04-08 04:24:05,942 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 425700 85140 49.747 -36243 5452.3 -41695 -41695 7.2747 3.4896 0.88161 6.8394e+05 2023-04-08 04:24:07,858 INFO [main.py:643]
{rank 0/100} MD step = 425800 step time: 00:00:00.020964 Performance: 123.996 ns/day 0.194 hours/ns 7.176 steps/s 2023-04-08 04:24:35,419 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 425800 85160 49.808 -36242 5459 -41701 -41701 7.274 3.4915 0.88227 6.841e+05 2023-04-08 04:24:37,209 INFO [main.py:643]
{rank 0/100} MD step = 425900 step time: 00:00:00.018029 Performance: 123.964 ns/day 0.194 hours/ns 7.174 steps/s 2023-04-08 04:24:53,646 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 425900 85180 49.869 -36171 5465.7 -41637 -41637 7.275 3.4919 0.88289 6.8426e+05 2023-04-08 04:24:55,524 INFO [main.py:643]
{rank 0/100} MD step = 426000 step time: 00:00:00.017981 Performance: 123.955 ns/day 0.194 hours/ns 7.173 steps/s 2023-04-08 04:25:12,538 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 426000 85200 49.732 -36258 5450.7 -41709 -41709 7.2751 3.4929 0.88276 6.8443e+05 2023-04-08 04:25:14,629 INFO [main.py:643]
{rank 0/100} MD step = 426100 step time: 00:00:00.018028 Performance: 123.944 ns/day 0.194 hours/ns 7.173 steps/s 2023-04-08 04:25:49,154 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 426100 85220 50.178 -36085 5499.6 -41584 -41584 7.2758 3.4926 0.88462 6.8462e+05 2023-04-08 04:25:51,032 INFO [main.py:643]
{rank 0/100} MD step = 426200 step time: 00:00:00.017967 Performance: 123.897 ns/day 0.194 hours/ns 7.170 steps/s 2023-04-08 04:26:04,038 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 426200 85240 50.534 -36123 5538.6 -41662 -41662 7.2773 3.4936 0.88302 6.8473e+05 2023-04-08 04:26:06,150 INFO [main.py:643]
{rank 0/100} MD step = 426300 step time: 00:00:00.017974 Performance: 123.895 ns/day 0.194 hours/ns 7.170 steps/s 2023-04-08 04:26:13,119 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 426300 85260 50.307 -36275 5513.7 -41789 -41789 7.2756 3.4935 0.88262 6.849e+05 2023-04-08 04:26:15,029 INFO [main.py:643]
{rank 0/100} MD step = 426400 step time: 00:00:00.017887 Performance: 123.905 ns/day 0.194 hours/ns 7.170 steps/s 2023-04-08 04:26:23,376 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 426400 85280 49.897 -36236 5468.7 -41705 -41705 7.2763 3.4937 0.88211 6.8509e+05 2023-04-08 04:26:25,311 INFO [main.py:643]
{rank 0/100} MD step = 426500 step time: 00:00:00.018036 Performance: 123.913 ns/day 0.194 hours/ns 7.171 steps/s 2023-04-08 04:26:47,010 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 426500 85300 50.367 -36168 5520.2 -41689 -41689 7.2766 3.4962 0.88407 6.8527e+05 2023-04-08 04:26:48,863 INFO [main.py:643]
{rank 0/100} MD step = 426600 step time: 00:00:00.031311 Performance: 123.893 ns/day 0.194 hours/ns 7.170 steps/s 2023-04-08 04:27:19,391 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 426600 85320 50.349 -36109 5518.3 -41627 -41627 7.2761 3.496 0.88375 6.8542e+05 2023-04-08 04:27:21,379 INFO [main.py:643]
{rank 0/100} MD step = 426700 step time: 00:00:00.017863 Performance: 123.854 ns/day 0.194 hours/ns 7.167 steps/s 2023-04-08 04:27:43,338 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 426700 85340 49.848 -36287 5463.3 -41750 -41750 7.2778 3.4961 0.88389 6.8557e+05 2023-04-08 04:27:45,189 INFO [main.py:643]
{rank 0/100} MD step = 426800 step time: 00:00:00.018142 Performance: 123.834 ns/day 0.194 hours/ns 7.166 steps/s 2023-04-08 04:28:15,179 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 426800 85360 50.106 -36186 5491.7 -41678 -41678 7.2768 3.4954 0.88607 6.8573e+05 2023-04-08 04:28:16,989 INFO [main.py:643]
{rank 0/100} MD step = 426900 step time: 00:00:00.017964 Performance: 123.797 ns/day 0.194 hours/ns 7.164 steps/s 2023-04-08 04:28:30,359 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 426900 85380 49.961 -36150 5475.8 -41626 -41626 7.2774 3.4961 0.88574 6.8589e+05 2023-04-08 04:28:32,225 INFO [main.py:643]
{rank 0/100} MD step = 427000 step time: 00:00:00.018015 Performance: 123.794 ns/day 0.194 hours/ns 7.164 steps/s 2023-04-08 04:28:50,075 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 427000 85400 49.658 -36227 5442.6 -41670 -41670 7.2769 3.4979 0.88595 6.8604e+05 2023-04-08 04:28:51,929 INFO [main.py:643]
{rank 0/100} MD step = 427100 step time: 00:00:00.018149 Performance: 123.782 ns/day 0.194 hours/ns 7.163 steps/s 2023-04-08 04:29:04,745 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 427100 85420 49.63 -36261 5439.5 -41700 -41700 7.2769 3.4976 0.88677 6.8619e+05 2023-04-08 04:29:10,430 INFO [main.py:643]
{rank 0/100} MD step = 427200 step time: 00:00:00.018049 Performance: 123.773 ns/day 0.194 hours/ns 7.163 steps/s 2023-04-08 04:29:24,568 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 427200 85440 49.598 -36338 5436.1 -41774 -41774 7.2767 3.4954 0.88679 6.8633e+05 2023-04-08 04:29:26,378 INFO [main.py:643]
{rank 0/100} MD step = 427300 step time: 00:00:00.018000 Performance: 123.769 ns/day 0.194 hours/ns 7.163 steps/s 2023-04-08 04:29:47,860 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 427300 85460 49.353 -36277 5409.1 -41686 -41686 7.2774 3.4961 0.88619 6.8648e+05 2023-04-08 04:29:49,707 INFO [main.py:643]
{rank 0/100} MD step = 427400 step time: 00:00:00.020003 Performance: 123.749 ns/day 0.194 hours/ns 7.161 steps/s 2023-04-08 04:29:58,119 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 427400 85480 49.287 -36228 5401.9 -41629 -41629 7.2782 3.4966 0.88538 6.8667e+05 2023-04-08 04:30:00,013 INFO [main.py:643]
{rank 0/100} MD step = 427500 step time: 00:00:00.018035 Performance: 123.757 ns/day 0.194 hours/ns 7.162 steps/s 2023-04-08 04:30:18,582 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 427500 85500 50.623 -36151 5548.4 -41699 -41699 7.2777 3.4983 0.88656 6.8681e+05 2023-04-08 04:30:23,397 INFO [main.py:643]
{rank 0/100} MD step = 427600 step time: 00:00:00.017963 Performance: 123.737 ns/day 0.194 hours/ns 7.161 steps/s 2023-04-08 04:30:51,738 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 427600 85520 49.851 -36204 5463.8 -41668 -41668 7.2767 3.4981 0.88594 6.8697e+05 2023-04-08 04:30:53,853 INFO [main.py:643]
{rank 0/100} MD step = 427700 step time: 00:00:00.018195 Performance: 123.703 ns/day 0.194 hours/ns 7.159 steps/s 2023-04-08 04:31:16,015 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 427700 85540 49.791 -36267 5457.2 -41724 -41724 7.2763 3.4985 0.88403 6.871e+05 2023-04-08 04:31:17,908 INFO [main.py:643]
{rank 0/100} MD step = 427800 step time: 00:00:00.020783 Performance: 123.682 ns/day 0.194 hours/ns 7.158 steps/s 2023-04-08 04:31:47,782 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 427800 85560 49.946 -36240 5474.1 -41714 -41714 7.2754 3.4987 0.88367 6.873e+05 2023-04-08 04:31:49,655 INFO [main.py:643]
{rank 0/100} MD step = 427900 step time: 00:00:00.018100 Performance: 123.645 ns/day 0.194 hours/ns 7.155 steps/s 2023-04-08 04:32:08,075 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 427900 85580 50.195 -36115 5501.4 -41616 -41616 7.2758 3.499 0.88354 6.8747e+05 2023-04-08 04:32:09,967 INFO [main.py:643]
{rank 0/100} MD step = 428000 step time: 00:00:00.017940 Performance: 123.632 ns/day 0.194 hours/ns 7.155 steps/s 2023-04-08 04:32:47,797 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 428000 85600 50.569 -36184 5542.4 -41727 -41727 7.2755 3.5 0.88363 6.8762e+05 2023-04-08 04:32:49,834 INFO [main.py:643]
{rank 0/100} MD step = 428100 step time: 00:00:00.017878 Performance: 123.579 ns/day 0.194 hours/ns 7.152 steps/s 2023-04-08 04:33:03,212 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 428100 85620 50.416 -36191 5525.7 -41717 -41717 7.2766 3.5001 0.88331 6.8777e+05 2023-04-08 04:33:05,125 INFO [main.py:643]
{rank 0/100} MD step = 428200 step time: 00:00:00.018220 Performance: 123.576 ns/day 0.194 hours/ns 7.151 steps/s 2023-04-08 04:33:35,092 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 428200 85640 49.847 -36318 5463.3 -41782 -41782 7.2783 3.5014 0.88475 6.8792e+05 2023-04-08 04:33:41,034 INFO [main.py:643]
{rank 0/100} MD step = 428300 step time: 00:00:00.018011 Performance: 123.531 ns/day 0.194 hours/ns 7.149 steps/s 2023-04-08 04:33:56,408 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 428300 85660 50.01 -36122 5481.1 -41603 -41603 7.2773 3.5015 0.88586 6.881e+05 2023-04-08 04:33:58,444 INFO [main.py:643]
{rank 0/100} MD step = 428400 step time: 00:00:00.018065 Performance: 123.524 ns/day 0.194 hours/ns 7.148 steps/s 2023-04-08 04:34:15,927 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 428400 85680 50.042 -36241 5484.6 -41726 -41726 7.2774 3.5013 0.8856 6.8827e+05 2023-04-08 04:34:21,861 INFO [main.py:643]
{rank 0/100} MD step = 428500 step time: 00:00:00.018075 Performance: 123.504 ns/day 0.194 hours/ns 7.147 steps/s 2023-04-08 04:35:00,743 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 428500 85700 49.562 -36181 5432.1 -41613 -41613 7.2784 3.5012 0.88721 6.8844e+05 2023-04-08 04:35:02,583 INFO [main.py:643]
{rank 0/100} MD step = 428600 step time: 00:00:00.018132 Performance: 123.449 ns/day 0.194 hours/ns 7.144 steps/s 2023-04-08 04:35:20,402 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 428600 85720 49.977 -36221 5477.6 -41699 -41699 7.2771 3.5001 0.88832 6.8857e+05 2023-04-08 04:35:22,340 INFO [main.py:643]
{rank 0/100} MD step = 428700 step time: 00:00:00.018100 Performance: 123.438 ns/day 0.194 hours/ns 7.143 steps/s 2023-04-08 04:35:45,557 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 428700 85740 50.439 -36009 5528.2 -41537 -41537 7.2791 3.5003 0.88766 6.8876e+05 2023-04-08 04:35:47,418 INFO [main.py:643]
{rank 0/100} MD step = 428800 step time: 00:00:00.017942 Performance: 123.415 ns/day 0.194 hours/ns 7.142 steps/s 2023-04-08 04:36:07,971 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 428800 85760 49.804 -36204 5458.6 -41662 -41662 7.2808 3.5011 0.88703 6.889e+05 2023-04-08 04:36:09,829 INFO [main.py:643]
{rank 0/100} MD step = 428900 step time: 00:00:00.017784 Performance: 123.398 ns/day 0.194 hours/ns 7.141 steps/s 2023-04-08 04:36:18,273 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 428900 85780 50.379 -36221 5521.6 -41742 -41742 7.2821 3.5017 0.8858 6.8905e+05 2023-04-08 04:36:24,412 INFO [main.py:643]
{rank 0/100} MD step = 429000 step time: 00:00:00.017999 Performance: 123.396 ns/day 0.194 hours/ns 7.141 steps/s 2023-04-08 04:36:33,405 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 429000 85800 49.607 -36279 5437 -41716 -41716 7.2826 3.504 0.88441 6.8921e+05 2023-04-08 04:36:35,252 INFO [main.py:643]
{rank 0/100} MD step = 429100 step time: 00:00:00.018146 Performance: 123.403 ns/day 0.194 hours/ns 7.141 steps/s 2023-04-08 04:36:52,923 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 429100 85820 49.827 -36254 5461.1 -41715 -41715 7.2846 3.5053 0.88334 6.8937e+05 2023-04-08 04:36:54,773 INFO [main.py:643]
{rank 0/100} MD step = 429200 step time: 00:00:00.018412 Performance: 123.391 ns/day 0.195 hours/ns 7.141 steps/s 2023-04-08 04:37:07,774 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 429200 85840 50.481 -36157 5532.8 -41690 -41690 7.2848 3.506 0.88354 6.8956e+05 2023-04-08 04:37:13,559 INFO [main.py:643]
{rank 0/100} MD step = 429300 step time: 00:00:00.018121 Performance: 123.382 ns/day 0.195 hours/ns 7.140 steps/s 2023-04-08 04:37:39,732 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 429300 85860 49.989 -36176 5478.9 -41655 -41655 7.2876 3.5057 0.88453 6.8973e+05 2023-04-08 04:37:41,625 INFO [main.py:643]
{rank 0/100} MD step = 429400 step time: 00:00:00.017985 Performance: 123.353 ns/day 0.195 hours/ns 7.138 steps/s 2023-04-08 04:37:50,861 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 429400 85880 49.959 -36223 5475.6 -41699 -41699 7.2864 3.5068 0.88301 6.8986e+05 2023-04-08 04:37:56,586 INFO [main.py:643]
{rank 0/100} MD step = 429500 step time: 00:00:00.018072 Performance: 123.351 ns/day 0.195 hours/ns 7.138 steps/s 2023-04-08 04:38:07,946 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 429500 85900 50.199 -36131 5501.8 -41633 -41633 7.287 3.5094 0.88255 6.9003e+05 2023-04-08 04:38:09,843 INFO [main.py:643]
{rank 0/100} MD step = 429600 step time: 00:00:00.018013 Performance: 123.352 ns/day 0.195 hours/ns 7.138 steps/s 2023-04-08 04:38:23,655 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 429600 85920 51.022 -36147 5592.1 -41739 -41739 7.2874 3.5101 0.88386 6.902e+05 2023-04-08 04:38:25,483 INFO [main.py:643]
{rank 0/100} MD step = 429700 step time: 00:00:00.018025 Performance: 123.349 ns/day 0.195 hours/ns 7.138 steps/s 2023-04-08 04:38:37,776 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 429700 85940 49.328 -36375 5406.4 -41782 -41782 7.287 3.51 0.88356 6.9037e+05 2023-04-08 04:38:39,764 INFO [main.py:643]
{rank 0/100} MD step = 429800 step time: 00:00:00.018080 Performance: 123.349 ns/day 0.195 hours/ns 7.138 steps/s 2023-04-08 04:38:48,882 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 429800 85960 50.208 -36157 5502.9 -41660 -41660 7.2866 3.5109 0.88201 6.9055e+05 2023-04-08 04:38:51,063 INFO [main.py:643]
{rank 0/100} MD step = 429900 step time: 00:00:00.018011 Performance: 123.354 ns/day 0.195 hours/ns 7.139 steps/s 2023-04-08 04:39:12,177 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 429900 85980 49.775 -36176 5455.4 -41631 -41631 7.2864 3.5121 0.88138 6.9073e+05 2023-04-08 04:39:13,982 INFO [main.py:643]
{rank 0/100} MD step = 430000 step time: 00:00:00.017963 Performance: 123.336 ns/day 0.195 hours/ns 7.137 steps/s 2023-04-08 04:39:19,529 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 430000 86000 49.424 -36272 5416.9 -41689 -41689 7.2871 3.5139 0.88259 6.9089e+05 2023-04-08 04:39:21,414 INFO [main.py:643]
{rank 0/100} MD step = 430100 step time: 00:00:00.018019 Performance: 123.349 ns/day 0.195 hours/ns 7.138 steps/s 2023-04-08 04:39:42,250 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 430100 86020 49.33 -36243 5406.7 -41649 -41649 7.2881 3.5167 0.88281 6.9106e+05 2023-04-08 04:39:44,194 INFO [main.py:643]
{rank 0/100} MD step = 430200 step time: 00:00:00.018070 Performance: 123.331 ns/day 0.195 hours/ns 7.137 steps/s 2023-04-08 04:40:01,728 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 430200 86040 49.955 -36200 5475.1 -41675 -41675 7.29 3.5178 0.88245 6.9121e+05 2023-04-08 04:40:03,590 INFO [main.py:643]
{rank 0/100} MD step = 430300 step time: 00:00:00.018004 Performance: 123.320 ns/day 0.195 hours/ns 7.137 steps/s 2023-04-08 04:40:20,879 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 430300 86060 50.024 -36203 5482.6 -41686 -41686 7.2912 3.5179 0.88356 6.9136e+05 2023-04-08 04:40:22,879 INFO [main.py:643]
{rank 0/100} MD step = 430400 step time: 00:00:00.018522 Performance: 123.310 ns/day 0.195 hours/ns 7.136 steps/s 2023-04-08 04:40:36,107 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 430400 86080 50.401 -36131 5524 -41655 -41655 7.2923 3.5178 0.88405 6.9154e+05 2023-04-08 04:40:38,106 INFO [main.py:643]
{rank 0/100} MD step = 430500 step time: 00:00:00.017989 Performance: 123.307 ns/day 0.195 hours/ns 7.136 steps/s 2023-04-08 04:40:51,042 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 430500 86100 49.555 -36273 5431.2 -41705 -41705 7.2919 3.518 0.88382 6.9169e+05 2023-04-08 04:40:52,878 INFO [main.py:643]
{rank 0/100} MD step = 430600 step time: 00:00:00.018007 Performance: 123.306 ns/day 0.195 hours/ns 7.136 steps/s 2023-04-08 04:41:19,024 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 430600 86120 50.262 -36233 5508.8 -41741 -41741 7.2907 3.518 0.88437 6.9186e+05 2023-04-08 04:41:24,984 INFO [main.py:643]
{rank 0/100} MD step = 430700 step time: 00:00:00.017866 Performance: 123.269 ns/day 0.195 hours/ns 7.134 steps/s 2023-04-08 04:41:51,433 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 430700 86140 50.127 -36126 5494 -41620 -41620 7.2904 3.5179 0.88491 6.9206e+05 2023-04-08 04:41:53,295 INFO [main.py:643]
{rank 0/100} MD step = 430800 step time: 00:00:00.018007 Performance: 123.239 ns/day 0.195 hours/ns 7.132 steps/s 2023-04-08 04:41:54,587 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 430800 86160 50.12 -36228 5493.2 -41721 -41721 7.2909 3.5187 0.88561 6.922e+05 2023-04-08 04:41:56,442 INFO [main.py:643]
{rank 0/100} MD step = 430900 step time: 00:00:00.018208 Performance: 123.262 ns/day 0.195 hours/ns 7.133 steps/s 2023-04-08 04:42:08,706 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 430900 86180 49.577 -36285 5433.7 -41719 -41719 7.2897 3.5187 0.88409 6.9236e+05 2023-04-08 04:42:10,517 INFO [main.py:643]
{rank 0/100} MD step = 431000 step time: 00:00:00.017853 Performance: 123.261 ns/day 0.195 hours/ns 7.133 steps/s 2023-04-08 04:42:23,689 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 431000 86200 50.942 -36127 5583.3 -41710 -41710 7.2882 3.5199 0.88388 6.9253e+05 2023-04-08 04:42:25,487 INFO [main.py:643]
{rank 0/100} MD step = 431100 step time: 00:00:00.017871 Performance: 123.260 ns/day 0.195 hours/ns 7.133 steps/s 2023-04-08 04:42:47,337 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 431100 86220 50.56 -36195 5541.5 -41737 -41737 7.2863 3.5191 0.88376 6.927e+05 2023-04-08 04:42:49,222 INFO [main.py:643]
{rank 0/100} MD step = 431200 step time: 00:00:00.018053 Performance: 123.240 ns/day 0.195 hours/ns 7.132 steps/s 2023-04-08 04:43:02,168 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 431200 86240 50.361 -36207 5519.6 -41727 -41727 7.2856 3.5192 0.88565 6.9285e+05 2023-04-08 04:43:04,034 INFO [main.py:643]
{rank 0/100} MD step = 431300 step time: 00:00:00.017997 Performance: 123.238 ns/day 0.195 hours/ns 7.132 steps/s 2023-04-08 04:43:17,063 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 431300 86260 49.297 -36228 5403 -41631 -41631 7.286 3.5203 0.88587 6.9302e+05 2023-04-08 04:43:19,029 INFO [main.py:643]
{rank 0/100} MD step = 431400 step time: 00:00:00.018013 Performance: 123.236 ns/day 0.195 hours/ns 7.132 steps/s 2023-04-08 04:43:32,033 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 431400 86280 50.227 -36246 5505 -41751 -41751 7.2858 3.521 0.88683 6.9318e+05 2023-04-08 04:43:33,968 INFO [main.py:643]
{rank 0/100} MD step = 431500 step time: 00:00:00.017875 Performance: 123.234 ns/day 0.195 hours/ns 7.132 steps/s 2023-04-08 04:43:47,403 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 431500 86300 49.84 -36297 5462.6 -41760 -41760 7.2855 3.5209 0.88858 6.9332e+05 2023-04-08 04:43:49,233 INFO [main.py:643]
{rank 0/100} MD step = 431600 step time: 00:00:00.018076 Performance: 123.232 ns/day 0.195 hours/ns 7.131 steps/s 2023-04-08 04:43:53,891 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 431600 86320 50.772 -36111 5564.6 -41675 -41675 7.2848 3.5213 0.88755 6.9352e+05 2023-04-08 04:43:55,862 INFO [main.py:643]
{rank 0/100} MD step = 431700 step time: 00:00:00.018315 Performance: 123.247 ns/day 0.195 hours/ns 7.132 steps/s 2023-04-08 04:44:26,396 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 431700 86340 50.472 -36038 5531.7 -41570 -41570 7.2853 3.5226 0.88647 6.9368e+05 2023-04-08 04:44:28,685 INFO [main.py:643]
{rank 0/100} MD step = 431800 step time: 00:00:00.017860 Performance: 123.209 ns/day 0.195 hours/ns 7.130 steps/s 2023-04-08 04:44:49,435 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 431800 86360 49.286 -36305 5401.8 -41707 -41707 7.2843 3.5225 0.8848 6.9385e+05 2023-04-08 04:44:51,257 INFO [main.py:643]
{rank 0/100} MD step = 431900 step time: 00:00:00.018546 Performance: 123.191 ns/day 0.195 hours/ns 7.129 steps/s 2023-04-08 04:45:04,630 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 431900 86380 49.167 -36316 5388.7 -41705 -41705 7.2842 3.5229 0.88439 6.9401e+05 2023-04-08 04:45:06,476 INFO [main.py:643]
{rank 0/100} MD step = 432000 step time: 00:00:00.018048 Performance: 123.189 ns/day 0.195 hours/ns 7.129 steps/s 2023-04-08 04:45:15,991 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 432000 86400 50.214 -36090 5503.5 -41593 -41593 7.286 3.5232 0.88575 6.942e+05 2023-04-08 04:45:17,795 INFO [main.py:643]
{rank 0/100} MD step = 432100 step time: 00:00:00.017870 Performance: 123.194 ns/day 0.195 hours/ns 7.129 steps/s 2023-04-08 04:45:19,216 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 432100 86420 49.96 -36145 5475.7 -41620 -41620 7.2842 3.5252 0.8869 6.9434e+05 2023-04-08 04:45:21,097 INFO [main.py:643]
{rank 0/100} MD step = 432200 step time: 00:00:00.018043 Performance: 123.216 ns/day 0.195 hours/ns 7.131 steps/s 2023-04-08 04:45:22,186 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 432200 86440 49.615 -36313 5437.9 -41751 -41751 7.2852 3.5261 0.88723 6.9447e+05 2023-04-08 04:45:24,141 INFO [main.py:643]
{rank 0/100} MD step = 432300 step time: 00:00:00.018025 Performance: 123.238 ns/day 0.195 hours/ns 7.132 steps/s 2023-04-08 04:45:34,558 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 432300 86460 50.045 -36220 5485 -41705 -41705 7.2859 3.5253 0.88668 6.9464e+05 2023-04-08 04:45:36,447 INFO [main.py:643]
{rank 0/100} MD step = 432400 step time: 00:00:00.017933 Performance: 123.242 ns/day 0.195 hours/ns 7.132 steps/s 2023-04-08 04:45:41,044 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 432400 86480 49.628 -36283 5439.3 -41722 -41722 7.287 3.5256 0.8863 6.9479e+05 2023-04-08 04:45:42,834 INFO [main.py:643]
{rank 0/100} MD step = 432500 step time: 00:00:00.017854 Performance: 123.257 ns/day 0.195 hours/ns 7.133 steps/s 2023-04-08 04:45:44,562 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 432500 86500 49.653 -36180 5442 -41622 -41622 7.288 3.5264 0.88721 6.9497e+05 2023-04-08 04:45:46,378 INFO [main.py:643]
{rank 0/100} MD step = 432600 step time: 00:00:00.018022 Performance: 123.279 ns/day 0.195 hours/ns 7.134 steps/s 2023-04-08 04:46:04,703 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 432600 86520 49.194 -36298 5391.7 -41690 -41690 7.2884 3.5273 0.88881 6.9511e+05 2023-04-08 04:46:06,581 INFO [main.py:643]
{rank 0/100} MD step = 432700 step time: 00:00:00.017993 Performance: 123.266 ns/day 0.195 hours/ns 7.133 steps/s 2023-04-08 04:46:19,810 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 432700 86540 50.622 -36155 5548.3 -41703 -41703 7.2884 3.5277 0.89003 6.9531e+05 2023-04-08 04:46:21,779 INFO [main.py:643]
{rank 0/100} MD step = 432800 step time: 00:00:00.018018 Performance: 123.264 ns/day 0.195 hours/ns 7.133 steps/s 2023-04-08 04:46:38,723 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 432800 86560 49.58 -36284 5434 -41717 -41717 7.2896 3.5286 0.88978 6.9548e+05 2023-04-08 04:46:40,583 INFO [main.py:643]
{rank 0/100} MD step = 432900 step time: 00:00:00.017958 Performance: 123.254 ns/day 0.195 hours/ns 7.133 steps/s 2023-04-08 04:46:53,989 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 432900 86580 50.074 -36261 5488.1 -41749 -41749 7.2901 3.529 0.89034 6.9566e+05 2023-04-08 04:46:55,913 INFO [main.py:643]
{rank 0/100} MD step = 433000 step time: 00:00:00.018030 Performance: 123.251 ns/day 0.195 hours/ns 7.133 steps/s 2023-04-08 04:47:00,430 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 433000 86600 49.64 -36229 5440.6 -41669 -41669 7.291 3.529 0.88993 6.9582e+05 2023-04-08 04:47:02,433 INFO [main.py:643]
{rank 0/100} MD step = 433100 step time: 00:00:00.017918 Performance: 123.267 ns/day 0.195 hours/ns 7.133 steps/s 2023-04-08 04:47:23,793 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 433100 86620 50.17 -36109 5498.6 -41608 -41608 7.2914 3.5307 0.89129 6.9598e+05 2023-04-08 04:47:25,698 INFO [main.py:643]
{rank 0/100} MD step = 433200 step time: 00:00:00.018005 Performance: 123.248 ns/day 0.195 hours/ns 7.132 steps/s 2023-04-08 04:47:39,485 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 433200 86640 49.466 -36268 5421.5 -41690 -41690 7.2919 3.5307 0.89067 6.9616e+05 2023-04-08 04:47:41,282 INFO [main.py:643]
{rank 0/100} MD step = 433300 step time: 00:00:00.018097 Performance: 123.245 ns/day 0.195 hours/ns 7.132 steps/s 2023-04-08 04:47:58,178 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 433300 86660 49.946 -36281 5474.1 -41755 -41755 7.2933 3.531 0.88944 6.9628e+05 2023-04-08 04:48:00,206 INFO [main.py:643]
{rank 0/100} MD step = 433400 step time: 00:00:00.018059 Performance: 123.235 ns/day 0.195 hours/ns 7.132 steps/s 2023-04-08 04:48:30,664 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 433400 86680 50.707 -36140 5557.5 -41698 -41698 7.2901 3.5318 0.88855 6.9647e+05 2023-04-08 04:48:32,677 INFO [main.py:643]
{rank 0/100} MD step = 433500 step time: 00:00:00.017913 Performance: 123.197 ns/day 0.195 hours/ns 7.129 steps/s 2023-04-08 04:48:41,473 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 433500 86700 49.643 -36262 5440.9 -41702 -41702 7.2895 3.5336 0.88752 6.9661e+05 2023-04-08 04:48:43,604 INFO [main.py:643]
{rank 0/100} MD step = 433600 step time: 00:00:00.018034 Performance: 123.204 ns/day 0.195 hours/ns 7.130 steps/s 2023-04-08 04:48:47,694 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 433600 86720 49.987 -36235 5478.6 -41713 -41713 7.2874 3.5347 0.88572 6.9676e+05 2023-04-08 04:48:49,542 INFO [main.py:643]
{rank 0/100} MD step = 433700 step time: 00:00:00.018001 Performance: 123.220 ns/day 0.195 hours/ns 7.131 steps/s 2023-04-08 04:48:58,502 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 433700 86740 49.86 -36246 5464.7 -41711 -41711 7.2873 3.5366 0.88564 6.9694e+05 2023-04-08 04:49:00,428 INFO [main.py:643]
{rank 0/100} MD step = 433800 step time: 00:00:00.017970 Performance: 123.226 ns/day 0.195 hours/ns 7.131 steps/s 2023-04-08 04:49:22,488 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 433800 86760 50.138 -36168 5495.1 -41663 -41663 7.2877 3.538 0.88763 6.9708e+05 2023-04-08 04:49:24,381 INFO [main.py:643]
{rank 0/100} MD step = 433900 step time: 00:00:00.018172 Performance: 123.206 ns/day 0.195 hours/ns 7.130 steps/s 2023-04-08 04:49:32,914 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 433900 86780 50.073 -36246 5488.1 -41734 -41734 7.2873 3.5384 0.88811 6.9723e+05 2023-04-08 04:49:34,869 INFO [main.py:643]
{rank 0/100} MD step = 434000 step time: 00:00:00.017958 Performance: 123.213 ns/day 0.195 hours/ns 7.130 steps/s 2023-04-08 04:49:48,079 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 434000 86800 50.177 -36233 5499.5 -41733 -41733 7.2873 3.54 0.88634 6.9741e+05 2023-04-08 04:49:50,088 INFO [main.py:643]
{rank 0/100} MD step = 434100 step time: 00:00:00.017969 Performance: 123.211 ns/day 0.195 hours/ns 7.130 steps/s 2023-04-08 04:50:03,258 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 434100 86820 50.253 -36131 5507.8 -41639 -41639 7.2864 3.5429 0.88679 6.9756e+05 2023-04-08 04:50:05,175 INFO [main.py:643]
{rank 0/100} MD step = 434200 step time: 00:00:00.017948 Performance: 123.209 ns/day 0.195 hours/ns 7.130 steps/s 2023-04-08 04:50:18,136 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 434200 86840 49.249 -36385 5397.8 -41783 -41783 7.2854 3.5429 0.88746 6.977e+05 2023-04-08 04:50:19,973 INFO [main.py:643]
{rank 0/100} MD step = 434300 step time: 00:00:00.017879 Performance: 123.207 ns/day 0.195 hours/ns 7.130 steps/s 2023-04-08 04:50:37,529 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 434300 86860 49.771 -36260 5454.9 -41715 -41715 7.287 3.5444 0.8882 6.9788e+05 2023-04-08 04:50:39,357 INFO [main.py:643]
{rank 0/100} MD step = 434400 step time: 00:00:00.017985 Performance: 123.196 ns/day 0.195 hours/ns 7.129 steps/s 2023-04-08 04:50:52,704 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 434400 86880 50.61 -36230 5547 -41777 -41777 7.2856 3.5451 0.88814 6.9803e+05 2023-04-08 04:50:54,628 INFO [main.py:643]
{rank 0/100} MD step = 434500 step time: 00:00:00.018801 Performance: 123.194 ns/day 0.195 hours/ns 7.129 steps/s 2023-04-08 04:50:59,563 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 434500 86900 50.341 -36180 5517.5 -41698 -41698 7.2886 3.5451 0.88929 6.982e+05 2023-04-08 04:51:01,454 INFO [main.py:643]
{rank 0/100} MD step = 434600 step time: 00:00:00.017967 Performance: 123.208 ns/day 0.195 hours/ns 7.130 steps/s 2023-04-08 04:51:09,764 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 434600 86920 49.929 -36127 5472.3 -41600 -41600 7.2892 3.5456 0.88909 6.9837e+05 2023-04-08 04:51:12,530 INFO [main.py:643]
{rank 0/100} MD step = 434700 step time: 00:00:00.018068 Performance: 123.214 ns/day 0.195 hours/ns 7.130 steps/s 2023-04-08 04:51:14,528 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 434700 86940 50.909 -36054 5579.7 -41633 -41633 7.2872 3.5473 0.88893 6.9853e+05 2023-04-08 04:51:16,419 INFO [main.py:643]
{rank 0/100} MD step = 434800 step time: 00:00:00.017873 Performance: 123.235 ns/day 0.195 hours/ns 7.132 steps/s 2023-04-08 04:51:20,940 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 434800 86960 49.843 -36197 5462.9 -41660 -41660 7.2892 3.5472 0.89057 6.9868e+05 2023-04-08 04:51:22,816 INFO [main.py:643]
{rank 0/100} MD step = 434900 step time: 00:00:00.018083 Performance: 123.250 ns/day 0.195 hours/ns 7.133 steps/s 2023-04-08 04:51:30,773 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 434900 86980 49.664 -36193 5443.2 -41636 -41636 7.2888 3.5476 0.89091 6.9885e+05 2023-04-08 04:51:32,681 INFO [main.py:643]
{rank 0/100} MD step = 435000 step time: 00:00:00.017808 Performance: 123.259 ns/day 0.195 hours/ns 7.133 steps/s 2023-04-08 04:51:41,676 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 435000 87000 50.321 -36166 5515.2 -41682 -41682 7.2893 3.5488 0.89031 6.99e+05 2023-04-08 04:51:43,558 INFO [main.py:643]
{rank 0/100} MD step = 435100 step time: 00:00:00.017928 Performance: 123.265 ns/day 0.195 hours/ns 7.133 steps/s 2023-04-08 04:52:03,352 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 435100 87020 50.032 -36287 5483.5 -41770 -41770 7.2887 3.5495 0.89139 6.9914e+05 2023-04-08 04:52:05,216 INFO [main.py:643]
{rank 0/100} MD step = 435200 step time: 00:00:00.018235 Performance: 123.250 ns/day 0.195 hours/ns 7.132 steps/s 2023-04-08 04:52:10,389 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 435200 87040 50.064 -36103 5487.1 -41590 -41590 7.2883 3.5511 0.89183 6.9937e+05 2023-04-08 04:52:16,094 INFO [main.py:643]
{rank 0/100} MD step = 435300 step time: 00:00:00.017933 Performance: 123.256 ns/day 0.195 hours/ns 7.133 steps/s 2023-04-08 04:52:21,807 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 435300 87060 49.27 -36312 5400 -41712 -41712 7.2876 3.5516 0.89159 6.9951e+05 2023-04-08 04:52:23,716 INFO [main.py:643]
{rank 0/100} MD step = 435400 step time: 00:00:00.018037 Performance: 123.269 ns/day 0.195 hours/ns 7.134 steps/s 2023-04-08 04:52:25,414 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 435400 87080 51.06 -36040 5596.2 -41637 -41637 7.2879 3.5524 0.89058 6.9967e+05 2023-04-08 04:52:27,388 INFO [main.py:643]
{rank 0/100} MD step = 435500 step time: 00:00:00.018251 Performance: 123.290 ns/day 0.195 hours/ns 7.135 steps/s 2023-04-08 04:52:42,738 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 435500 87100 51.036 -36183 5593.6 -41777 -41777 7.2884 3.5547 0.8921 6.9982e+05 2023-04-08 04:52:44,711 INFO [main.py:643]
{rank 0/100} MD step = 435600 step time: 00:00:00.018067 Performance: 123.283 ns/day 0.195 hours/ns 7.134 steps/s 2023-04-08 04:53:09,999 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 435600 87120 49.776 -36369 5455.5 -41825 -41825 7.2884 3.5545 0.89253 6.9998e+05 2023-04-08 04:53:11,896 INFO [main.py:643]
{rank 0/100} MD step = 435700 step time: 00:00:00.018265 Performance: 123.256 ns/day 0.195 hours/ns 7.133 steps/s 2023-04-08 04:53:13,058 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 435700 87140 50.197 -36276 5501.6 -41778 -41778 7.2875 3.5556 0.89365 7.0014e+05 2023-04-08 04:53:15,055 INFO [main.py:643]
{rank 0/100} MD step = 435800 step time: 00:00:00.018276 Performance: 123.278 ns/day 0.195 hours/ns 7.134 steps/s 2023-04-08 04:53:26,825 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 435800 87160 49.758 -36237 5453.6 -41690 -41690 7.286 3.5564 0.89411 7.0033e+05 2023-04-08 04:53:28,765 INFO [main.py:643]
{rank 0/100} MD step = 435900 step time: 00:00:00.018061 Performance: 123.279 ns/day 0.195 hours/ns 7.134 steps/s 2023-04-08 04:53:33,544 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 435900 87180 49.044 -36342 5375.3 -41717 -41717 7.2864 3.5562 0.89323 7.0047e+05 2023-04-08 04:53:35,458 INFO [main.py:643]
{rank 0/100} MD step = 436000 step time: 00:00:00.018038 Performance: 123.294 ns/day 0.195 hours/ns 7.135 steps/s 2023-04-08 04:53:40,114 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 436000 87200 49.818 -36188 5460.2 -41648 -41648 7.2864 3.5581 0.89186 7.0063e+05 2023-04-08 04:53:42,079 INFO [main.py:643]
{rank 0/100} MD step = 436100 step time: 00:00:00.017918 Performance: 123.309 ns/day 0.195 hours/ns 7.136 steps/s 2023-04-08 04:53:43,426 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 436100 87220 48.763 -36361 5344.4 -41705 -41705 7.2876 3.5598 0.8908 7.0081e+05 2023-04-08 04:53:45,249 INFO [main.py:643]
{rank 0/100} MD step = 436200 step time: 00:00:00.018088 Performance: 123.331 ns/day 0.195 hours/ns 7.137 steps/s 2023-04-08 04:53:46,514 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 436200 87240 50.112 -36172 5492.4 -41664 -41664 7.285 3.5629 0.88986 7.0096e+05 2023-04-08 04:53:48,811 INFO [main.py:643]
{rank 0/100} MD step = 436300 step time: 00:00:00.017942 Performance: 123.352 ns/day 0.195 hours/ns 7.138 steps/s 2023-04-08 04:54:18,541 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 436300 87260 49.827 -36260 5461.1 -41721 -41721 7.2857 3.5626 0.89063 7.0112e+05 2023-04-08 04:54:20,373 INFO [main.py:643]
{rank 0/100} MD step = 436400 step time: 00:00:00.017962 Performance: 123.316 ns/day 0.195 hours/ns 7.136 steps/s 2023-04-08 04:54:29,280 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 436400 87280 50.129 -36174 5494.2 -41668 -41668 7.2872 3.5644 0.89015 7.0126e+05 2023-04-08 04:54:31,149 INFO [main.py:643]
{rank 0/100} MD step = 436500 step time: 00:00:00.017920 Performance: 123.323 ns/day 0.195 hours/ns 7.137 steps/s 2023-04-08 04:54:40,296 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 436500 87300 49.787 -36304 5456.7 -41761 -41761 7.2872 3.5651 0.88994 7.0141e+05 2023-04-08 04:54:42,136 INFO [main.py:643]
{rank 0/100} MD step = 436600 step time: 00:00:00.018230 Performance: 123.329 ns/day 0.195 hours/ns 7.137 steps/s 2023-04-08 04:54:50,665 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 436600 87320 49.392 -36320 5413.4 -41734 -41734 7.2855 3.5648 0.88893 7.0157e+05 2023-04-08 04:54:52,476 INFO [main.py:643]
{rank 0/100} MD step = 436700 step time: 00:00:00.018008 Performance: 123.336 ns/day 0.195 hours/ns 7.138 steps/s 2023-04-08 04:54:53,576 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 436700 87340 50.297 -36279 5512.6 -41791 -41791 7.2853 3.5653 0.88929 7.0172e+05 2023-04-08 04:54:55,468 INFO [main.py:643]
{rank 0/100} MD step = 436800 step time: 00:00:00.017872 Performance: 123.358 ns/day 0.195 hours/ns 7.139 steps/s 2023-04-08 04:55:04,139 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 436800 87360 49.625 -36276 5439 -41715 -41715 7.2865 3.564 0.88978 7.0193e+05 2023-04-08 04:55:05,948 INFO [main.py:643]
{rank 0/100} MD step = 436900 step time: 00:00:00.017962 Performance: 123.366 ns/day 0.195 hours/ns 7.139 steps/s 2023-04-08 04:55:14,261 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 436900 87380 50.053 -36319 5485.9 -41805 -41805 7.2869 3.5651 0.88942 7.0206e+05 2023-04-08 04:55:16,196 INFO [main.py:643]
{rank 0/100} MD step = 437000 step time: 00:00:00.018089 Performance: 123.373 ns/day 0.195 hours/ns 7.140 steps/s 2023-04-08 04:55:34,215 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 437000 87400 48.938 -36308 5363.7 -41672 -41672 7.2874 3.5666 0.89006 7.0227e+05 2023-04-08 04:55:36,066 INFO [main.py:643]
{rank 0/100} MD step = 437100 step time: 00:00:00.018069 Performance: 123.361 ns/day 0.195 hours/ns 7.139 steps/s 2023-04-08 04:55:52,737 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 437100 87420 49.656 -36206 5442.3 -41648 -41648 7.2874 3.568 0.88985 7.0244e+05 2023-04-08 04:55:54,566 INFO [main.py:643]
{rank 0/100} MD step = 437200 step time: 00:00:00.018031 Performance: 123.352 ns/day 0.195 hours/ns 7.138 steps/s 2023-04-08 04:56:10,354 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 437200 87440 50.107 -36238 5491.8 -41730 -41730 7.286 3.5686 0.88871 7.0257e+05 2023-04-08 04:56:20,582 INFO [main.py:643]
{rank 0/100} MD step = 437300 step time: 00:00:00.017729 Performance: 123.328 ns/day 0.195 hours/ns 7.137 steps/s 2023-04-08 04:56:34,467 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 437300 87460 49.91 -36197 5470.2 -41667 -41667 7.2863 3.569 0.88913 7.0273e+05 2023-04-08 04:56:36,378 INFO [main.py:643]
{rank 0/100} MD step = 437400 step time: 00:00:00.018083 Performance: 123.325 ns/day 0.195 hours/ns 7.137 steps/s 2023-04-08 04:56:57,482 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 437400 87480 49.863 -36191 5465 -41656 -41656 7.2875 3.5702 0.8893 7.0291e+05 2023-04-08 04:56:59,337 INFO [main.py:643]
{rank 0/100} MD step = 437500 step time: 00:00:00.018338 Performance: 123.307 ns/day 0.195 hours/ns 7.136 steps/s 2023-04-08 04:57:04,568 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 437500 87500 50.562 -36171 5541.7 -41712 -41712 7.2879 3.5703 0.88759 7.0305e+05 2023-04-08 04:57:06,504 INFO [main.py:643]
{rank 0/100} MD step = 437600 step time: 00:00:00.018068 Performance: 123.320 ns/day 0.195 hours/ns 7.137 steps/s 2023-04-08 04:57:23,203 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 437600 87520 49.838 -36364 5462.4 -41826 -41826 7.2872 3.5717 0.88933 7.032e+05 2023-04-08 04:57:25,016 INFO [main.py:643]
{rank 0/100} MD step = 437700 step time: 00:00:00.018005 Performance: 123.311 ns/day 0.195 hours/ns 7.136 steps/s 2023-04-08 04:57:55,431 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 437700 87540 49.934 -36174 5472.8 -41647 -41647 7.286 3.5714 0.89015 7.0341e+05 2023-04-08 04:57:57,311 INFO [main.py:643]
{rank 0/100} MD step = 437800 step time: 00:00:00.018018 Performance: 123.275 ns/day 0.195 hours/ns 7.134 steps/s 2023-04-08 04:57:58,105 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 437800 87560 50.547 -36212 5540 -41752 -41752 7.2854 3.5728 0.88819 7.0355e+05 2023-04-08 04:58:04,258 INFO [main.py:643]
{rank 0/100} MD step = 437900 step time: 00:00:00.017989 Performance: 123.289 ns/day 0.195 hours/ns 7.135 steps/s 2023-04-08 04:58:14,955 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 437900 87580 50.609 -36160 5546.8 -41706 -41706 7.2853 3.5749 0.88812 7.037e+05 2023-04-08 04:58:20,642 INFO [main.py:643]
{rank 0/100} MD step = 438000 step time: 00:00:00.017920 Performance: 123.284 ns/day 0.195 hours/ns 7.134 steps/s 2023-04-08 04:58:40,799 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 438000 87600 50.279 -36244 5510.6 -41754 -41754 7.287 3.575 0.8862 7.0388e+05 2023-04-08 04:58:42,618 INFO [main.py:643]
{rank 0/100} MD step = 438100 step time: 00:00:00.018237 Performance: 123.268 ns/day 0.195 hours/ns 7.134 steps/s 2023-04-08 04:58:53,336 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 438100 87620 49.83 -36261 5461.4 -41723 -41723 7.2867 3.5748 0.88565 7.0406e+05 2023-04-08 04:58:55,314 INFO [main.py:643]
{rank 0/100} MD step = 438200 step time: 00:00:00.017806 Performance: 123.271 ns/day 0.195 hours/ns 7.134 steps/s 2023-04-08 04:59:09,672 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 438200 87640 50.21 -36167 5503 -41670 -41670 7.2876 3.5754 0.88578 7.0422e+05 2023-04-08 04:59:11,596 INFO [main.py:643]
{rank 0/100} MD step = 438300 step time: 00:00:00.018050 Performance: 123.266 ns/day 0.195 hours/ns 7.133 steps/s 2023-04-08 04:59:25,818 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 438300 87660 49.137 -36185 5385.4 -41570 -41570 7.2897 3.5762 0.886 7.0442e+05 2023-04-08 04:59:27,798 INFO [main.py:643]
{rank 0/100} MD step = 438400 step time: 00:00:00.018013 Performance: 123.262 ns/day 0.195 hours/ns 7.133 steps/s 2023-04-08 04:59:41,663 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 438400 87680 50.085 -36141 5489.3 -41631 -41631 7.29 3.5757 0.88559 7.0459e+05 2023-04-08 04:59:43,587 INFO [main.py:643]
{rank 0/100} MD step = 438500 step time: 00:00:00.018016 Performance: 123.258 ns/day 0.195 hours/ns 7.133 steps/s 2023-04-08 04:59:51,137 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 438500 87700 49.824 -36175 5460.8 -41635 -41635 7.2898 3.575 0.88536 7.0473e+05 2023-04-08 04:59:57,269 INFO [main.py:643]
{rank 0/100} MD step = 438600 step time: 00:00:00.018038 Performance: 123.259 ns/day 0.195 hours/ns 7.133 steps/s 2023-04-08 05:00:04,354 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 438600 87720 50.453 -36091 5529.7 -41620 -41620 7.2903 3.5758 0.88605 7.0491e+05 2023-04-08 05:00:06,208 INFO [main.py:643]
{rank 0/100} MD step = 438700 step time: 00:00:00.018138 Performance: 123.269 ns/day 0.195 hours/ns 7.134 steps/s 2023-04-08 05:00:19,440 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 438700 87740 50.474 -36186 5532 -41718 -41718 7.2891 3.5791 0.88558 7.0504e+05 2023-04-08 05:00:21,280 INFO [main.py:643]
{rank 0/100} MD step = 438800 step time: 00:00:00.018023 Performance: 123.267 ns/day 0.195 hours/ns 7.134 steps/s 2023-04-08 05:00:30,144 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 438800 87760 50.098 -36237 5490.8 -41727 -41727 7.2884 3.5791 0.88735 7.0519e+05 2023-04-08 05:00:32,014 INFO [main.py:643]
{rank 0/100} MD step = 438900 step time: 00:00:00.017943 Performance: 123.273 ns/day 0.195 hours/ns 7.134 steps/s 2023-04-08 05:00:40,753 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 438900 87780 49.782 -36301 5456.2 -41757 -41757 7.2889 3.5781 0.88702 7.0532e+05 2023-04-08 05:00:42,621 INFO [main.py:643]
{rank 0/100} MD step = 439000 step time: 00:00:00.017994 Performance: 123.280 ns/day 0.195 hours/ns 7.134 steps/s 2023-04-08 05:01:09,027 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 439000 87800 50.566 -36009 5542.1 -41551 -41551 7.2889 3.58 0.88781 7.0553e+05 2023-04-08 05:01:10,956 INFO [main.py:643]
{rank 0/100} MD step = 439100 step time: 00:00:00.018257 Performance: 123.252 ns/day 0.195 hours/ns 7.133 steps/s 2023-04-08 05:01:34,816 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 439100 87820 50.134 -36202 5494.8 -41697 -41697 7.2875 3.5812 0.88769 7.0566e+05 2023-04-08 05:01:36,653 INFO [main.py:643]
{rank 0/100} MD step = 439200 step time: 00:00:00.018077 Performance: 123.228 ns/day 0.195 hours/ns 7.131 steps/s 2023-04-08 05:02:06,829 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 439200 87840 49.676 -36232 5444.6 -41677 -41677 7.2869 3.5816 0.88852 7.0582e+05 2023-04-08 05:02:08,742 INFO [main.py:643]
{rank 0/100} MD step = 439300 step time: 00:00:00.018078 Performance: 123.192 ns/day 0.195 hours/ns 7.129 steps/s 2023-04-08 05:02:31,315 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 439300 87860 49.699 -36369 5447 -41817 -41817 7.2867 3.5825 0.88686 7.0596e+05 2023-04-08 05:02:33,200 INFO [main.py:643]
{rank 0/100} MD step = 439400 step time: 00:00:00.019018 Performance: 123.171 ns/day 0.195 hours/ns 7.128 steps/s 2023-04-08 05:03:19,891 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 439400 87880 50.046 -36210 5485.1 -41695 -41695 7.2861 3.5824 0.88811 7.0614e+05 2023-04-08 05:03:25,524 INFO [main.py:643]
{rank 0/100} MD step = 439500 step time: 00:00:00.017910 Performance: 123.095 ns/day 0.195 hours/ns 7.124 steps/s 2023-04-08 05:03:36,847 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 439500 87900 50.155 -36212 5497 -41709 -41709 7.2863 3.5832 0.88691 7.0631e+05 2023-04-08 05:03:38,938 INFO [main.py:643]
{rank 0/100} MD step = 439600 step time: 00:00:00.018063 Performance: 123.096 ns/day 0.195 hours/ns 7.124 steps/s 2023-04-08 05:03:57,200 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 439600 87920 50.074 -36145 5488.1 -41633 -41633 7.2871 3.5836 0.88569 7.0649e+05 2023-04-08 05:03:59,080 INFO [main.py:643]
{rank 0/100} MD step = 439700 step time: 00:00:00.018062 Performance: 123.084 ns/day 0.195 hours/ns 7.123 steps/s 2023-04-08 05:04:29,636 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 439700 87940 49.624 -36254 5438.9 -41693 -41693 7.2883 3.5835 0.88432 7.0664e+05 2023-04-08 05:04:31,512 INFO [main.py:643]
{rank 0/100} MD step = 439800 step time: 00:00:00.017999 Performance: 123.047 ns/day 0.195 hours/ns 7.121 steps/s 2023-04-08 05:04:51,849 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 439800 87960 50.572 -36152 5542.7 -41695 -41695 7.2883 3.583 0.88455 7.0681e+05 2023-04-08 05:04:53,860 INFO [main.py:643]
{rank 0/100} MD step = 439900 step time: 00:00:00.018004 Performance: 123.031 ns/day 0.195 hours/ns 7.120 steps/s 2023-04-08 05:05:06,997 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 439900 87980 50.291 -36041 5512 -41553 -41553 7.2889 3.5843 0.88369 7.0698e+05 2023-04-08 05:05:08,850 INFO [main.py:643]
{rank 0/100} MD step = 440000 step time: 00:00:00.018035 Performance: 123.029 ns/day 0.195 hours/ns 7.120 steps/s 2023-04-08 05:05:22,197 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 440000 88000 49.822 -36174 5460.5 -41635 -41635 7.2869 3.5828 0.88326 7.071e+05 2023-04-08 05:05:24,058 INFO [main.py:643]
{rank 0/100} MD step = 440100 step time: 00:00:00.017965 Performance: 123.027 ns/day 0.195 hours/ns 7.120 steps/s 2023-04-08 05:05:37,396 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 440100 88020 49.692 -36171 5446.3 -41617 -41617 7.2878 3.5832 0.88378 7.0729e+05 2023-04-08 05:05:39,650 INFO [main.py:643]
{rank 0/100} MD step = 440200 step time: 00:00:00.017968 Performance: 123.023 ns/day 0.195 hours/ns 7.119 steps/s 2023-04-08 05:05:56,408 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 440200 88040 49.859 -36332 5464.6 -41796 -41796 7.2866 3.5833 0.88409 7.0742e+05 2023-04-08 05:06:02,627 INFO [main.py:643]
{rank 0/100} MD step = 440300 step time: 00:00:00.018093 Performance: 123.006 ns/day 0.195 hours/ns 7.118 steps/s 2023-04-08 05:06:32,974 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 440300 88060 49.649 -36234 5441.6 -41675 -41675 7.2876 3.5826 0.88533 7.0762e+05 2023-04-08 05:06:35,343 INFO [main.py:643]
{rank 0/100} MD step = 440400 step time: 00:00:00.017936 Performance: 122.969 ns/day 0.195 hours/ns 7.116 steps/s 2023-04-08 05:06:39,550 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 440400 88080 49.893 -36167 5468.4 -41635 -41635 7.2887 3.5837 0.8867 7.078e+05 2023-04-08 05:06:42,345 INFO [main.py:643]
{rank 0/100} MD step = 440500 step time: 00:00:00.018309 Performance: 122.983 ns/day 0.195 hours/ns 7.117 steps/s 2023-04-08 05:06:59,122 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 440500 88100 50.168 -36136 5498.5 -41634 -41634 7.289 3.5841 0.88578 7.0796e+05 2023-04-08 05:07:00,959 INFO [main.py:643]
{rank 0/100} MD step = 440600 step time: 00:00:00.018167 Performance: 122.974 ns/day 0.195 hours/ns 7.117 steps/s 2023-04-08 05:07:05,110 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 440600 88120 49.843 -36152 5462.9 -41615 -41615 7.2888 3.5832 0.88643 7.0812e+05 2023-04-08 05:07:07,049 INFO [main.py:643]
{rank 0/100} MD step = 440700 step time: 00:00:00.017979 Performance: 122.989 ns/day 0.195 hours/ns 7.117 steps/s 2023-04-08 05:07:33,187 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 440700 88140 50.14 -36180 5495.5 -41675 -41675 7.2875 3.5834 0.88611 7.0826e+05 2023-04-08 05:07:35,233 INFO [main.py:643]
{rank 0/100} MD step = 440800 step time: 00:00:00.018036 Performance: 122.961 ns/day 0.195 hours/ns 7.116 steps/s 2023-04-08 05:07:39,611 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 440800 88160 49.695 -36241 5446.7 -41688 -41688 7.2886 3.5848 0.88556 7.0842e+05 2023-04-08 05:07:41,633 INFO [main.py:643]
{rank 0/100} MD step = 440900 step time: 00:00:00.017896 Performance: 122.976 ns/day 0.195 hours/ns 7.117 steps/s 2023-04-08 05:08:03,409 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 440900 88180 50.157 -36168 5497.3 -41665 -41665 7.2889 3.586 0.88512 7.0856e+05 2023-04-08 05:08:05,283 INFO [main.py:643]
{rank 0/100} MD step = 441000 step time: 00:00:00.018135 Performance: 122.957 ns/day 0.195 hours/ns 7.116 steps/s 2023-04-08 05:08:13,867 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 441000 88200 50.382 -36195 5522 -41717 -41717 7.2899 3.5885 0.88527 7.0873e+05 2023-04-08 05:08:15,877 INFO [main.py:643]
{rank 0/100} MD step = 441100 step time: 00:00:00.017942 Performance: 122.964 ns/day 0.195 hours/ns 7.116 steps/s 2023-04-08 05:08:46,446 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 441100 88220 49.467 -36168 5421.7 -41589 -41589 7.29 3.5906 0.88477 7.0893e+05 2023-04-08 05:08:48,599 INFO [main.py:643]
{rank 0/100} MD step = 441200 step time: 00:00:00.017904 Performance: 122.927 ns/day 0.195 hours/ns 7.114 steps/s 2023-04-08 05:09:10,203 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 441200 88240 50.096 -36224 5490.5 -41715 -41715 7.2909 3.5915 0.88493 7.0908e+05 2023-04-08 05:09:12,081 INFO [main.py:643]
{rank 0/100} MD step = 441300 step time: 00:00:00.017981 Performance: 122.909 ns/day 0.195 hours/ns 7.113 steps/s 2023-04-08 05:09:24,817 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 441300 88260 49.835 -36211 5461.9 -41673 -41673 7.2916 3.5915 0.88518 7.0925e+05 2023-04-08 05:09:26,644 INFO [main.py:643]
{rank 0/100} MD step = 441400 step time: 00:00:00.018102 Performance: 122.908 ns/day 0.195 hours/ns 7.113 steps/s 2023-04-08 05:09:56,841 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 441400 88280 50.103 -36202 5491.3 -41694 -41694 7.2913 3.5925 0.88554 7.094e+05 2023-04-08 05:09:58,684 INFO [main.py:643]
{rank 0/100} MD step = 441500 step time: 00:00:00.017989 Performance: 122.872 ns/day 0.195 hours/ns 7.111 steps/s 2023-04-08 05:10:31,342 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 441500 88300 49.815 -36319 5459.8 -41779 -41779 7.2918 3.594 0.88734 7.0957e+05 2023-04-08 05:10:33,281 INFO [main.py:643]
{rank 0/100} MD step = 441600 step time: 00:00:00.018042 Performance: 122.831 ns/day 0.195 hours/ns 7.108 steps/s 2023-04-08 05:10:50,988 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 441600 88320 49.182 -36232 5390.5 -41622 -41622 7.2917 3.5948 0.88799 7.0975e+05 2023-04-08 05:10:52,866 INFO [main.py:643]
{rank 0/100} MD step = 441700 step time: 00:00:00.018033 Performance: 122.821 ns/day 0.195 hours/ns 7.108 steps/s 2023-04-08 05:10:57,358 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 441700 88340 49.769 -36173 5454.8 -41627 -41627 7.2933 3.5952 0.88835 7.0993e+05 2023-04-08 05:10:59,370 INFO [main.py:643]
{rank 0/100} MD step = 441800 step time: 00:00:00.017902 Performance: 122.835 ns/day 0.195 hours/ns 7.109 steps/s 2023-04-08 05:11:12,984 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 441800 88360 50.166 -36109 5498.2 -41607 -41607 7.293 3.5951 0.8874 7.1009e+05 2023-04-08 05:11:14,885 INFO [main.py:643]
{rank 0/100} MD step = 441900 step time: 00:00:00.018093 Performance: 122.833 ns/day 0.195 hours/ns 7.108 steps/s 2023-04-08 05:11:36,422 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 441900 88380 50.548 -36234 5540.1 -41774 -41774 7.2935 3.5959 0.88858 7.1021e+05 2023-04-08 05:11:38,341 INFO [main.py:643]
{rank 0/100} MD step = 442000 step time: 00:00:00.017971 Performance: 122.814 ns/day 0.195 hours/ns 7.107 steps/s 2023-04-08 05:11:52,319 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 442000 88400 49.218 -36251 5394.3 -41645 -41645 7.2938 3.5967 0.88845 7.1041e+05 2023-04-08 05:11:54,161 INFO [main.py:643]
{rank 0/100} MD step = 442100 step time: 00:00:00.017909 Performance: 122.811 ns/day 0.195 hours/ns 7.107 steps/s 2023-04-08 05:12:25,564 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 442100 88420 49.719 -36151 5449.2 -41600 -41600 7.2953 3.5965 0.88928 7.1059e+05 2023-04-08 05:12:27,420 INFO [main.py:643]
{rank 0/100} MD step = 442200 step time: 00:00:00.018088 Performance: 122.773 ns/day 0.195 hours/ns 7.105 steps/s 2023-04-08 05:12:57,604 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 442200 88440 50.23 -36100 5505.3 -41606 -41606 7.2977 3.5964 0.8894 7.1073e+05 2023-04-08 05:12:59,495 INFO [main.py:643]
{rank 0/100} MD step = 442300 step time: 00:00:00.017824 Performance: 122.737 ns/day 0.196 hours/ns 7.103 steps/s 2023-04-08 05:13:21,881 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 442300 88460 50.871 -36219 5575.6 -41795 -41795 7.2976 3.5984 0.88961 7.1088e+05 2023-04-08 05:13:24,073 INFO [main.py:643]
{rank 0/100} MD step = 442400 step time: 00:00:00.020197 Performance: 122.717 ns/day 0.196 hours/ns 7.102 steps/s 2023-04-08 05:13:44,386 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 442400 88480 50.619 -36130 5547.9 -41678 -41678 7.299 3.6002 0.89053 7.1103e+05 2023-04-08 05:13:46,279 INFO [main.py:643]
{rank 0/100} MD step = 442500 step time: 00:00:00.017909 Performance: 122.701 ns/day 0.196 hours/ns 7.101 steps/s 2023-04-08 05:14:01,934 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 442500 88500 49.688 -36221 5445.8 -41667 -41667 7.2988 3.6 0.89004 7.1121e+05 2023-04-08 05:14:03,783 INFO [main.py:643]
{rank 0/100} MD step = 442600 step time: 00:00:00.017845 Performance: 122.694 ns/day 0.196 hours/ns 7.100 steps/s 2023-04-08 05:14:29,852 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 442600 88520 49.361 -36203 5410 -41613 -41613 7.2989 3.6011 0.8901 7.1137e+05 2023-04-08 05:14:31,786 INFO [main.py:643]
{rank 0/100} MD step = 442700 step time: 00:00:00.018042 Performance: 122.666 ns/day 0.196 hours/ns 7.099 steps/s 2023-04-08 05:14:57,543 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 442700 88540 50.34 -36171 5517.3 -41688 -41688 7.3006 3.6018 0.89027 7.1153e+05 2023-04-08 05:14:59,436 INFO [main.py:643]
{rank 0/100} MD step = 442800 step time: 00:00:00.017947 Performance: 122.640 ns/day 0.196 hours/ns 7.097 steps/s 2023-04-08 05:15:04,720 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 442800 88560 49.451 -36262 5419.9 -41682 -41682 7.3002 3.6021 0.89064 7.1168e+05 2023-04-08 05:15:06,679 INFO [main.py:643]
{rank 0/100} MD step = 442900 step time: 00:00:00.018045 Performance: 122.653 ns/day 0.196 hours/ns 7.098 steps/s 2023-04-08 05:15:23,372 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 442900 88580 49.788 -36330 5456.8 -41787 -41787 7.2996 3.6029 0.89044 7.1182e+05 2023-04-08 05:15:25,222 INFO [main.py:643]
{rank 0/100} MD step = 443000 step time: 00:00:00.018059 Performance: 122.644 ns/day 0.196 hours/ns 7.097 steps/s 2023-04-08 05:15:47,568 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 443000 88600 49.791 -36284 5457.1 -41741 -41741 7.2992 3.6037 0.89117 7.1199e+05 2023-04-08 05:15:49,445 INFO [main.py:643]
{rank 0/100} MD step = 443100 step time: 00:00:00.018224 Performance: 122.625 ns/day 0.196 hours/ns 7.096 steps/s 2023-04-08 05:16:10,625 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 443100 88620 50.017 -36181 5481.9 -41663 -41663 7.2991 3.6043 0.89009 7.1214e+05 2023-04-08 05:16:12,563 INFO [main.py:643]
{rank 0/100} MD step = 443200 step time: 00:00:00.018022 Performance: 122.607 ns/day 0.196 hours/ns 7.095 steps/s 2023-04-08 05:16:30,256 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 443200 88640 50.099 -36233 5490.9 -41724 -41724 7.2977 3.6051 0.8914 7.1227e+05 2023-04-08 05:16:32,138 INFO [main.py:643]
{rank 0/100} MD step = 443300 step time: 00:00:00.018163 Performance: 122.596 ns/day 0.196 hours/ns 7.095 steps/s 2023-04-08 05:16:49,962 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 443300 88660 50.153 -36140 5496.8 -41637 -41637 7.2975 3.606 0.89169 7.1242e+05 2023-04-08 05:16:51,907 INFO [main.py:643]
{rank 0/100} MD step = 443400 step time: 00:00:00.019976 Performance: 122.585 ns/day 0.196 hours/ns 7.094 steps/s 2023-04-08 05:17:08,514 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 443400 88680 49.393 -36260 5413.5 -41674 -41674 7.2979 3.6064 0.89237 7.1257e+05 2023-04-08 05:17:10,565 INFO [main.py:643]
{rank 0/100} MD step = 443500 step time: 00:00:00.017994 Performance: 122.576 ns/day 0.196 hours/ns 7.094 steps/s 2023-04-08 05:17:40,866 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 443500 88700 50.177 -36199 5499.4 -41699 -41699 7.2971 3.6076 0.89219 7.1271e+05 2023-04-08 05:17:42,685 INFO [main.py:643]
{rank 0/100} MD step = 443600 step time: 00:00:00.018046 Performance: 122.541 ns/day 0.196 hours/ns 7.091 steps/s 2023-04-08 05:18:27,408 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 443600 88720 49.789 -36318 5456.9 -41775 -41775 7.2973 3.6077 0.89184 7.1285e+05 2023-04-08 05:18:29,348 INFO [main.py:643]
{rank 0/100} MD step = 443700 step time: 00:00:00.018003 Performance: 122.477 ns/day 0.196 hours/ns 7.088 steps/s 2023-04-08 05:18:55,842 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 443700 88740 49.803 -36156 5458.4 -41614 -41614 7.2952 3.6083 0.89096 7.1301e+05 2023-04-08 05:18:57,963 INFO [main.py:643]
{rank 0/100} MD step = 443800 step time: 00:00:00.018174 Performance: 122.449 ns/day 0.196 hours/ns 7.086 steps/s 2023-04-08 05:19:53,990 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 443800 88760 49.886 -36271 5467.6 -41738 -41738 7.2951 3.609 0.89125 7.1315e+05 2023-04-08 05:19:56,046 INFO [main.py:643]
{rank 0/100} MD step = 443900 step time: 00:00:00.018062 Performance: 122.363 ns/day 0.196 hours/ns 7.081 steps/s 2023-04-08 05:20:29,406 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 443900 88780 50.953 -36059 5584.5 -41644 -41644 7.2949 3.6105 0.89117 7.1332e+05 2023-04-08 05:20:31,283 INFO [main.py:643]
{rank 0/100} MD step = 444000 step time: 00:00:00.018063 Performance: 122.322 ns/day 0.196 hours/ns 7.079 steps/s 2023-04-08 05:20:39,176 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 444000 88800 49.346 -36209 5408.4 -41617 -41617 7.2959 3.6116 0.89049 7.1347e+05 2023-04-08 05:20:45,030 INFO [main.py:643]
{rank 0/100} MD step = 444100 step time: 00:00:00.017938 Performance: 122.322 ns/day 0.196 hours/ns 7.079 steps/s 2023-04-08 05:20:58,405 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 444100 88820 49.795 -36303 5457.5 -41760 -41760 7.2936 3.6124 0.8921 7.1361e+05 2023-04-08 05:21:00,261 INFO [main.py:643]
{rank 0/100} MD step = 444200 step time: 00:00:00.018890 Performance: 122.320 ns/day 0.196 hours/ns 7.079 steps/s 2023-04-08 05:21:17,476 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 444200 88840 49.748 -36261 5452.4 -41713 -41713 7.2938 3.6125 0.89203 7.1377e+05 2023-04-08 05:21:19,376 INFO [main.py:643]
{rank 0/100} MD step = 444300 step time: 00:00:00.018081 Performance: 122.310 ns/day 0.196 hours/ns 7.078 steps/s 2023-04-08 05:21:24,781 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 444300 88860 50.285 -36086 5511.3 -41597 -41597 7.2928 3.6128 0.89306 7.1392e+05 2023-04-08 05:21:26,834 INFO [main.py:643]
{rank 0/100} MD step = 444400 step time: 00:00:00.018412 Performance: 122.323 ns/day 0.196 hours/ns 7.079 steps/s 2023-04-08 05:21:44,612 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 444400 88880 49.927 -36279 5472 -41751 -41751 7.2927 3.6143 0.89294 7.1405e+05 2023-04-08 05:21:46,432 INFO [main.py:643]
{rank 0/100} MD step = 444500 step time: 00:00:00.018045 Performance: 122.313 ns/day 0.196 hours/ns 7.078 steps/s 2023-04-08 05:22:02,878 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 444500 88900 49.418 -36249 5416.2 -41665 -41665 7.2934 3.6138 0.89447 7.1424e+05 2023-04-08 05:22:04,730 INFO [main.py:643]
{rank 0/100} MD step = 444600 step time: 00:00:00.017932 Performance: 122.305 ns/day 0.196 hours/ns 7.078 steps/s 2023-04-08 05:22:26,527 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 444600 88920 49.887 -36288 5467.7 -41756 -41756 7.2939 3.614 0.8958 7.1437e+05 2023-04-08 05:22:28,393 INFO [main.py:643]
{rank 0/100} MD step = 444700 step time: 00:00:00.017966 Performance: 122.286 ns/day 0.196 hours/ns 7.077 steps/s 2023-04-08 05:22:54,296 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 444700 88940 49.62 -36363 5438.4 -41801 -41801 7.297 3.6154 0.89613 7.1452e+05 2023-04-08 05:23:00,194 INFO [main.py:643]
{rank 0/100} MD step = 444800 step time: 00:00:00.018016 Performance: 122.252 ns/day 0.196 hours/ns 7.075 steps/s 2023-04-08 05:23:05,621 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 444800 88960 50.209 -36217 5503 -41720 -41720 7.2982 3.6151 0.89672 7.1469e+05 2023-04-08 05:23:07,473 INFO [main.py:643]
{rank 0/100} MD step = 444900 step time: 00:00:00.018752 Performance: 122.265 ns/day 0.196 hours/ns 7.076 steps/s 2023-04-08 05:23:33,166 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 444900 88980 49.666 -36143 5443.5 -41586 -41586 7.2975 3.6147 0.89612 7.1489e+05 2023-04-08 05:23:35,066 INFO [main.py:643]
{rank 0/100} MD step = 445000 step time: 00:00:00.018030 Performance: 122.239 ns/day 0.196 hours/ns 7.074 steps/s 2023-04-08 05:24:05,330 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 445000 89000 49.682 -36323 5445.2 -41768 -41768 7.2962 3.6157 0.89402 7.1504e+05 2023-04-08 05:24:07,202 INFO [main.py:643]
{rank 0/100} MD step = 445100 step time: 00:00:00.018162 Performance: 122.204 ns/day 0.196 hours/ns 7.072 steps/s 2023-04-08 05:24:15,995 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 445100 89020 49.738 -36272 5451.4 -41723 -41723 7.294 3.6161 0.89514 7.1521e+05 2023-04-08 05:24:17,948 INFO [main.py:643]
{rank 0/100} MD step = 445200 step time: 00:00:00.018050 Performance: 122.210 ns/day 0.196 hours/ns 7.072 steps/s 2023-04-08 05:24:26,941 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 445200 89040 49.733 -36253 5450.7 -41704 -41704 7.2935 3.6161 0.89461 7.1533e+05 2023-04-08 05:24:28,973 INFO [main.py:643]
{rank 0/100} MD step = 445300 step time: 00:00:00.018015 Performance: 122.217 ns/day 0.196 hours/ns 7.073 steps/s 2023-04-08 05:24:58,926 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 445300 89060 49.653 -36277 5442 -41719 -41719 7.2936 3.6164 0.89454 7.1548e+05 2023-04-08 05:25:00,807 INFO [main.py:643]
{rank 0/100} MD step = 445400 step time: 00:00:00.017906 Performance: 122.182 ns/day 0.196 hours/ns 7.071 steps/s 2023-04-08 05:25:22,585 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 445400 89080 49.872 -36170 5466.1 -41636 -41636 7.2939 3.6191 0.89529 7.1569e+05 2023-04-08 05:25:24,650 INFO [main.py:643]
{rank 0/100} MD step = 445500 step time: 00:00:00.018102 Performance: 122.163 ns/day 0.196 hours/ns 7.070 steps/s 2023-04-08 05:25:41,740 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 445500 89100 49.946 -36219 5474.1 -41693 -41693 7.2946 3.621 0.89508 7.1585e+05 2023-04-08 05:25:43,658 INFO [main.py:643]
{rank 0/100} MD step = 445600 step time: 00:00:00.018160 Performance: 122.154 ns/day 0.196 hours/ns 7.069 steps/s 2023-04-08 05:26:01,452 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 445600 89120 49.603 -36307 5436.5 -41743 -41743 7.2933 3.6209 0.89527 7.1604e+05 2023-04-08 05:26:03,439 INFO [main.py:643]
{rank 0/100} MD step = 445700 step time: 00:00:00.017904 Performance: 122.143 ns/day 0.196 hours/ns 7.068 steps/s 2023-04-08 05:26:16,121 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 445700 89140 50.018 -36263 5482 -41745 -41745 7.2919 3.6215 0.8939 7.162e+05 2023-04-08 05:26:18,101 INFO [main.py:643]
{rank 0/100} MD step = 445800 step time: 00:00:00.017998 Performance: 122.142 ns/day 0.196 hours/ns 7.068 steps/s 2023-04-08 05:26:35,623 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 445800 89160 49.316 -36220 5405.1 -41625 -41625 7.2906 3.6229 0.89491 7.164e+05 2023-04-08 05:26:37,470 INFO [main.py:643]
{rank 0/100} MD step = 445900 step time: 00:00:00.018089 Performance: 122.132 ns/day 0.197 hours/ns 7.068 steps/s 2023-04-08 05:26:59,134 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 445900 89180 50.874 -36212 5575.8 -41788 -41788 7.289 3.6234 0.89607 7.1652e+05 2023-04-08 05:27:01,261 INFO [main.py:643]
{rank 0/100} MD step = 446000 step time: 00:00:00.018503 Performance: 122.113 ns/day 0.197 hours/ns 7.067 steps/s 2023-04-08 05:27:10,050 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 446000 89200 49.954 -36251 5475 -41726 -41726 7.2882 3.6241 0.89797 7.167e+05 2023-04-08 05:27:11,924 INFO [main.py:643]
{rank 0/100} MD step = 446100 step time: 00:00:00.017953 Performance: 122.120 ns/day 0.197 hours/ns 7.067 steps/s 2023-04-08 05:27:25,348 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 446100 89220 50.218 -36212 5504 -41716 -41716 7.2879 3.6249 0.90003 7.1686e+05 2023-04-08 05:27:27,248 INFO [main.py:643]
{rank 0/100} MD step = 446200 step time: 00:00:00.017991 Performance: 122.118 ns/day 0.197 hours/ns 7.067 steps/s 2023-04-08 05:27:31,738 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 446200 89240 49.517 -36303 5427.1 -41730 -41730 7.2844 3.6264 0.89913 7.1703e+05 2023-04-08 05:27:33,553 INFO [main.py:643]
{rank 0/100} MD step = 446300 step time: 00:00:00.018031 Performance: 122.133 ns/day 0.197 hours/ns 7.068 steps/s 2023-04-08 05:27:42,948 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 446300 89260 50.668 -36222 5553.3 -41775 -41775 7.2847 3.6265 0.89961 7.1718e+05 2023-04-08 05:27:44,937 INFO [main.py:643]
{rank 0/100} MD step = 446400 step time: 00:00:00.017826 Performance: 122.138 ns/day 0.196 hours/ns 7.068 steps/s 2023-04-08 05:27:58,683 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 446400 89280 48.842 -36319 5353.1 -41672 -41672 7.2853 3.6273 0.89869 7.1737e+05 2023-04-08 05:28:00,476 INFO [main.py:643]
{rank 0/100} MD step = 446500 step time: 00:00:00.017878 Performance: 122.136 ns/day 0.197 hours/ns 7.068 steps/s 2023-04-08 05:28:10,022 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 446500 89300 50.768 -36148 5564.2 -41713 -41713 7.2828 3.6278 0.89737 7.1751e+05 2023-04-08 05:28:12,036 INFO [main.py:643]
{rank 0/100} MD step = 446600 step time: 00:00:00.017966 Performance: 122.141 ns/day 0.196 hours/ns 7.068 steps/s 2023-04-08 05:28:40,158 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 446600 89320 49.459 -36284 5420.8 -41705 -41705 7.2814 3.629 0.89793 7.1766e+05 2023-04-08 05:28:42,030 INFO [main.py:643]
{rank 0/100} MD step = 446700 step time: 00:00:00.018187 Performance: 122.110 ns/day 0.197 hours/ns 7.067 steps/s 2023-04-08 05:29:03,644 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 446700 89340 50.141 -36254 5495.6 -41749 -41749 7.2829 3.6302 0.89755 7.1782e+05 2023-04-08 05:29:05,532 INFO [main.py:643]
{rank 0/100} MD step = 446800 step time: 00:00:00.017958 Performance: 122.092 ns/day 0.197 hours/ns 7.066 steps/s 2023-04-08 05:29:18,787 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 446800 89360 49.78 -36274 5455.9 -41730 -41730 7.2809 3.6318 0.89718 7.1797e+05 2023-04-08 05:29:20,677 INFO [main.py:643]
{rank 0/100} MD step = 446900 step time: 00:00:00.018184 Performance: 122.090 ns/day 0.197 hours/ns 7.065 steps/s 2023-04-08 05:29:29,692 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 446900 89380 49.937 -36213 5473.1 -41686 -41686 7.2812 3.6325 0.89703 7.1815e+05 2023-04-08 05:29:35,514 INFO [main.py:643]
{rank 0/100} MD step = 447000 step time: 00:00:00.018541 Performance: 122.089 ns/day 0.197 hours/ns 7.065 steps/s 2023-04-08 05:29:44,863 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 447000 89400 49.804 -36387 5458.6 -41846 -41846 7.2833 3.6333 0.89705 7.1829e+05 2023-04-08 05:29:46,743 INFO [main.py:643]
{rank 0/100} MD step = 447100 step time: 00:00:00.018067 Performance: 122.094 ns/day 0.197 hours/ns 7.066 steps/s 2023-04-08 05:29:55,377 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 447100 89420 49.436 -36274 5418.3 -41692 -41692 7.2825 3.6317 0.8984 7.1847e+05 2023-04-08 05:29:57,306 INFO [main.py:643]
{rank 0/100} MD step = 447200 step time: 00:00:00.018080 Performance: 122.101 ns/day 0.197 hours/ns 7.066 steps/s 2023-04-08 05:30:01,820 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 447200 89440 50.153 -36070 5496.8 -41566 -41566 7.2799 3.6318 0.89884 7.1866e+05 2023-04-08 05:30:03,711 INFO [main.py:643]
{rank 0/100} MD step = 447300 step time: 00:00:00.018083 Performance: 122.116 ns/day 0.197 hours/ns 7.067 steps/s 2023-04-08 05:30:16,483 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 447300 89460 49.855 -36214 5464.1 -41678 -41678 7.2806 3.6326 0.89834 7.1882e+05 2023-04-08 05:30:18,319 INFO [main.py:643]
{rank 0/100} MD step = 447400 step time: 00:00:00.018014 Performance: 122.115 ns/day 0.197 hours/ns 7.067 steps/s 2023-04-08 05:30:42,609 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 447400 89480 49.378 -36341 5411.9 -41753 -41753 7.2815 3.6334 0.89934 7.1896e+05 2023-04-08 05:30:44,635 INFO [main.py:643]
{rank 0/100} MD step = 447500 step time: 00:00:00.018018 Performance: 122.092 ns/day 0.197 hours/ns 7.066 steps/s 2023-04-08 05:30:45,391 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 447500 89500 50.716 -36148 5558.6 -41706 -41706 7.2807 3.634 0.8999 7.1913e+05 2023-04-08 05:30:47,707 INFO [main.py:643]
{rank 0/100} MD step = 447600 step time: 00:00:00.017882 Performance: 122.113 ns/day 0.197 hours/ns 7.067 steps/s 2023-04-08 05:30:51,032 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 447600 89520 49.954 -36337 5475 -41812 -41812 7.2811 3.6359 0.90065 7.1928e+05 2023-04-08 05:30:52,956 INFO [main.py:643]
{rank 0/100} MD step = 447700 step time: 00:00:00.018093 Performance: 122.130 ns/day 0.197 hours/ns 7.068 steps/s 2023-04-08 05:31:03,925 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 447700 89540 50.322 -36225 5515.3 -41740 -41740 7.2824 3.6356 0.90043 7.1943e+05 2023-04-08 05:31:05,744 INFO [main.py:643]
{rank 0/100} MD step = 447800 step time: 00:00:00.017927 Performance: 122.133 ns/day 0.197 hours/ns 7.068 steps/s 2023-04-08 05:31:29,525 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 447800 89560 50.156 -36295 5497.2 -41792 -41792 7.2825 3.6371 0.90018 7.1958e+05 2023-04-08 05:31:31,407 INFO [main.py:643]
{rank 0/100} MD step = 447900 step time: 00:00:00.018098 Performance: 122.111 ns/day 0.197 hours/ns 7.067 steps/s 2023-04-08 05:31:58,338 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 447900 89580 49.944 -36246 5474 -41720 -41720 7.282 3.6391 0.90098 7.1977e+05 2023-04-08 05:32:00,229 INFO [main.py:643]
{rank 0/100} MD step = 448000 step time: 00:00:00.018031 Performance: 122.083 ns/day 0.197 hours/ns 7.065 steps/s 2023-04-08 05:32:01,494 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 448000 89600 49.814 -36301 5459.7 -41761 -41761 7.2832 3.6405 0.90074 7.1993e+05 2023-04-08 05:32:03,325 INFO [main.py:643]
{rank 0/100} MD step = 448100 step time: 00:00:00.018496 Performance: 122.104 ns/day 0.197 hours/ns 7.066 steps/s 2023-04-08 05:32:14,927 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 448100 89620 49.999 -36297 5479.9 -41777 -41777 7.283 3.6411 0.90043 7.201e+05 2023-04-08 05:32:16,809 INFO [main.py:643]
{rank 0/100} MD step = 448200 step time: 00:00:00.017943 Performance: 122.105 ns/day 0.197 hours/ns 7.066 steps/s 2023-04-08 05:32:25,654 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 448200 89640 49.682 -36366 5445.2 -41811 -41811 7.281 3.6421 0.90039 7.2024e+05 2023-04-08 05:32:27,534 INFO [main.py:643]
{rank 0/100} MD step = 448300 step time: 00:00:00.018007 Performance: 122.112 ns/day 0.197 hours/ns 7.067 steps/s 2023-04-08 05:32:40,805 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 448300 89660 50.076 -36230 5488.4 -41718 -41718 7.2806 3.6433 0.90074 7.2042e+05 2023-04-08 05:32:42,623 INFO [main.py:643]
{rank 0/100} MD step = 448400 step time: 00:00:00.018129 Performance: 122.110 ns/day 0.197 hours/ns 7.067 steps/s 2023-04-08 05:32:47,169 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 448400 89680 49.733 -36234 5450.8 -41685 -41685 7.2808 3.6436 0.89928 7.2058e+05 2023-04-08 05:32:49,067 INFO [main.py:643]
{rank 0/100} MD step = 448500 step time: 00:00:00.018022 Performance: 122.125 ns/day 0.197 hours/ns 7.067 steps/s 2023-04-08 05:32:53,667 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 448500 89700 49.511 -36261 5426.4 -41688 -41688 7.2791 3.6437 0.89949 7.2077e+05 2023-04-08 05:32:55,525 INFO [main.py:643]
{rank 0/100} MD step = 448600 step time: 00:00:00.018019 Performance: 122.140 ns/day 0.196 hours/ns 7.068 steps/s 2023-04-08 05:33:04,574 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 448600 89720 50.225 -36144 5504.7 -41649 -41649 7.2808 3.6438 0.89886 7.2093e+05 2023-04-08 05:33:06,464 INFO [main.py:643]
{rank 0/100} MD step = 448700 step time: 00:00:00.018005 Performance: 122.146 ns/day 0.196 hours/ns 7.069 steps/s 2023-04-08 05:33:19,716 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 448700 89740 49.891 -36120 5468.1 -41588 -41588 7.281 3.645 0.90018 7.211e+05 2023-04-08 05:33:21,547 INFO [main.py:643]
{rank 0/100} MD step = 448800 step time: 00:00:00.018084 Performance: 122.144 ns/day 0.196 hours/ns 7.069 steps/s 2023-04-08 05:33:34,381 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 448800 89760 49.641 -36179 5440.7 -41620 -41620 7.2809 3.6456 0.90178 7.2127e+05 2023-04-08 05:33:36,314 INFO [main.py:643]
{rank 0/100} MD step = 448900 step time: 00:00:00.017756 Performance: 122.143 ns/day 0.196 hours/ns 7.068 steps/s 2023-04-08 05:33:45,317 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 448900 89780 50.295 -36262 5512.4 -41774 -41774 7.2808 3.6464 0.90126 7.2139e+05 2023-04-08 05:33:47,227 INFO [main.py:643]
{rank 0/100} MD step = 449000 step time: 00:00:00.018015 Performance: 122.149 ns/day 0.196 hours/ns 7.069 steps/s 2023-04-08 05:33:51,571 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 449000 89800 49.607 -36214 5437 -41651 -41651 7.2804 3.6466 0.90134 7.2157e+05 2023-04-08 05:33:53,636 INFO [main.py:643]
{rank 0/100} MD step = 449100 step time: 00:00:00.018027 Performance: 122.164 ns/day 0.196 hours/ns 7.070 steps/s 2023-04-08 05:34:15,255 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 449100 89820 50.575 -36133 5543.1 -41676 -41676 7.2807 3.6467 0.90226 7.2175e+05 2023-04-08 05:34:17,096 INFO [main.py:643]
{rank 0/100} MD step = 449200 step time: 00:00:00.017998 Performance: 122.146 ns/day 0.196 hours/ns 7.069 steps/s 2023-04-08 05:34:30,418 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 449200 89840 49.485 -36287 5423.6 -41710 -41710 7.2819 3.6474 0.90215 7.219e+05 2023-04-08 05:34:32,260 INFO [main.py:643]
{rank 0/100} MD step = 449300 step time: 00:00:00.018035 Performance: 122.144 ns/day 0.196 hours/ns 7.069 steps/s 2023-04-08 05:34:45,072 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 449300 89860 50.011 -36245 5481.3 -41726 -41726 7.2822 3.6499 0.90241 7.2203e+05 2023-04-08 05:34:46,960 INFO [main.py:643]
{rank 0/100} MD step = 449400 step time: 00:00:00.018107 Performance: 122.143 ns/day 0.196 hours/ns 7.068 steps/s 2023-04-08 05:35:01,682 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 449400 89880 49.948 -36294 5474.4 -41768 -41768 7.283 3.6508 0.90185 7.2221e+05 2023-04-08 05:35:04,274 INFO [main.py:643]
{rank 0/100} MD step = 449500 step time: 00:00:00.017996 Performance: 122.137 ns/day 0.197 hours/ns 7.068 steps/s 2023-04-08 05:35:21,719 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 449500 89900 49.802 -36289 5458.3 -41748 -41748 7.2824 3.6512 0.90102 7.2237e+05 2023-04-08 05:35:23,574 INFO [main.py:643]
{rank 0/100} MD step = 449600 step time: 00:00:00.018448 Performance: 122.127 ns/day 0.197 hours/ns 7.068 steps/s 2023-04-08 05:35:26,530 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 449600 89920 49.189 -36294 5391.2 -41686 -41686 7.2813 3.6516 0.90144 7.2255e+05 2023-04-08 05:35:28,413 INFO [main.py:643]
{rank 0/100} MD step = 449700 step time: 00:00:00.018125 Performance: 122.145 ns/day 0.196 hours/ns 7.069 steps/s 2023-04-08 05:35:33,113 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 449700 89940 50.005 -36161 5480.6 -41642 -41642 7.2814 3.6516 0.90045 7.2271e+05 2023-04-08 05:35:35,023 INFO [main.py:643]
{rank 0/100} MD step = 449800 step time: 00:00:00.018156 Performance: 122.159 ns/day 0.196 hours/ns 7.069 steps/s 2023-04-08 05:35:48,082 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 449800 89960 49.813 -36234 5459.5 -41693 -41693 7.2819 3.6518 0.90013 7.2286e+05 2023-04-08 05:35:49,969 INFO [main.py:643]
{rank 0/100} MD step = 449900 step time: 00:00:00.017974 Performance: 122.158 ns/day 0.196 hours/ns 7.069 steps/s 2023-04-08 05:36:02,447 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 449900 89980 49.352 -36241 5409.1 -41650 -41650 7.2808 3.6524 0.89966 7.2302e+05 2023-04-08 05:36:04,270 INFO [main.py:643]
{rank 0/100} MD step = 450000 step time: 00:00:00.018095 Performance: 122.157 ns/day 0.196 hours/ns 7.069 steps/s 2023-04-08 05:36:22,018 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 450000 90000 50.102 -36290 5491.2 -41781 -41781 7.2803 3.6522 0.89836 7.2314e+05 2023-04-08 05:36:24,053 INFO [main.py:643]
{rank 0/100} MD step = 450100 step time: 00:00:00.018296 Performance: 122.147 ns/day 0.196 hours/ns 7.069 steps/s 2023-04-08 05:36:37,100 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 450100 90020 50.252 -36216 5507.7 -41723 -41723 7.2815 3.6541 0.89883 7.2332e+05 2023-04-08 05:36:39,044 INFO [main.py:643]
{rank 0/100} MD step = 450200 step time: 00:00:00.035017 Performance: 122.145 ns/day 0.196 hours/ns 7.069 steps/s 2023-04-08 05:36:43,442 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 450200 90040 49.346 -36278 5408.4 -41686 -41686 7.2804 3.6547 0.89826 7.2349e+05 2023-04-08 05:36:45,292 INFO [main.py:643]
{rank 0/100} MD step = 450300 step time: 00:00:00.018013 Performance: 122.160 ns/day 0.196 hours/ns 7.069 steps/s 2023-04-08 05:36:49,652 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 450300 90060 50.121 -36097 5493.3 -41591 -41591 7.282 3.6557 0.89821 7.2366e+05 2023-04-08 05:36:51,698 INFO [main.py:643]
{rank 0/100} MD step = 450400 step time: 00:00:00.017873 Performance: 122.175 ns/day 0.196 hours/ns 7.070 steps/s 2023-04-08 05:36:56,856 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 450400 90080 51.11 -36135 5601.7 -41737 -41737 7.2825 3.6553 0.8983 7.2382e+05 2023-04-08 05:36:58,724 INFO [main.py:643]
{rank 0/100} MD step = 450500 step time: 00:00:00.017984 Performance: 122.189 ns/day 0.196 hours/ns 7.071 steps/s 2023-04-08 05:36:59,900 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 450500 90100 49.887 -36279 5467.6 -41746 -41746 7.2829 3.6562 0.89761 7.2399e+05 2023-04-08 05:37:01,755 INFO [main.py:643]
{rank 0/100} MD step = 450600 step time: 00:00:00.020143 Performance: 122.210 ns/day 0.196 hours/ns 7.072 steps/s 2023-04-08 05:37:02,876 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 450600 90120 50.204 -36128 5502.4 -41630 -41630 7.2825 3.6577 0.89841 7.2418e+05 2023-04-08 05:37:04,777 INFO [main.py:643]
{rank 0/100} MD step = 450700 step time: 00:00:00.017927 Performance: 122.231 ns/day 0.196 hours/ns 7.074 steps/s 2023-04-08 05:37:20,130 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 450700 90140 49.666 -36200 5443.5 -41644 -41644 7.2832 3.6584 0.89881 7.2433e+05 2023-04-08 05:37:21,979 INFO [main.py:643]
{rank 0/100} MD step = 450800 step time: 00:00:00.017918 Performance: 122.225 ns/day 0.196 hours/ns 7.073 steps/s 2023-04-08 05:37:23,504 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 450800 90160 49.897 -36301 5468.8 -41770 -41770 7.2829 3.6582 0.89961 7.2446e+05 2023-04-08 05:37:25,450 INFO [main.py:643]
{rank 0/100} MD step = 450900 step time: 00:00:00.019190 Performance: 122.246 ns/day 0.196 hours/ns 7.074 steps/s 2023-04-08 05:37:29,168 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 450900 90180 50.405 -36160 5524.5 -41684 -41684 7.2835 3.66 0.899 7.2465e+05 2023-04-08 05:37:31,020 INFO [main.py:643]
{rank 0/100} MD step = 451000 step time: 00:00:00.024940 Performance: 122.262 ns/day 0.196 hours/ns 7.075 steps/s 2023-04-08 05:37:48,504 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 451000 90200 50.284 -36125 5511.2 -41636 -41636 7.2833 3.6609 0.89929 7.2483e+05 2023-04-08 05:37:50,412 INFO [main.py:643]
{rank 0/100} MD step = 451100 step time: 00:00:00.017991 Performance: 122.252 ns/day 0.196 hours/ns 7.075 steps/s 2023-04-08 05:38:00,922 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 451100 90220 49.38 -36252 5412.1 -41664 -41664 7.282 3.6618 0.89796 7.2502e+05 2023-04-08 05:38:02,750 INFO [main.py:643]
{rank 0/100} MD step = 451200 step time: 00:00:00.018270 Performance: 122.256 ns/day 0.196 hours/ns 7.075 steps/s 2023-04-08 05:38:11,561 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 451200 90240 49.778 -36188 5455.7 -41644 -41644 7.2821 3.6621 0.89689 7.2516e+05 2023-04-08 05:38:13,455 INFO [main.py:643]
{rank 0/100} MD step = 451300 step time: 00:00:00.018815 Performance: 122.262 ns/day 0.196 hours/ns 7.075 steps/s 2023-04-08 05:38:30,611 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 451300 90260 50 -36201 5480.1 -41681 -41681 7.2821 3.6627 0.89756 7.2533e+05 2023-04-08 05:38:32,520 INFO [main.py:643]
{rank 0/100} MD step = 451400 step time: 00:00:00.018522 Performance: 122.253 ns/day 0.196 hours/ns 7.075 steps/s 2023-04-08 05:38:33,911 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 451400 90280 49.994 -36395 5479.4 -41874 -41874 7.2811 3.6644 0.89872 7.2546e+05 2023-04-08 05:38:35,840 INFO [main.py:643]
{rank 0/100} MD step = 451500 step time: 00:00:00.017896 Performance: 122.273 ns/day 0.196 hours/ns 7.076 steps/s 2023-04-08 05:38:43,990 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 451500 90300 49.508 -36339 5426.1 -41765 -41765 7.2817 3.6652 0.89761 7.2562e+05 2023-04-08 05:38:45,878 INFO [main.py:643]
{rank 0/100} MD step = 451600 step time: 00:00:00.018817 Performance: 122.281 ns/day 0.196 hours/ns 7.076 steps/s 2023-04-08 05:38:56,296 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 451600 90320 49.666 -36288 5443.5 -41732 -41732 7.2797 3.6649 0.89712 7.2581e+05 2023-04-08 05:38:58,347 INFO [main.py:643]
{rank 0/100} MD step = 451700 step time: 00:00:00.019744 Performance: 122.285 ns/day 0.196 hours/ns 7.077 steps/s 2023-04-08 05:39:03,214 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 451700 90340 50.463 -36207 5530.8 -41738 -41738 7.278 3.6663 0.89673 7.2594e+05 2023-04-08 05:39:05,064 INFO [main.py:643]
{rank 0/100} MD step = 451800 step time: 00:00:00.018177 Performance: 122.299 ns/day 0.196 hours/ns 7.077 steps/s 2023-04-08 05:39:13,712 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 451800 90360 49.685 -36231 5445.5 -41677 -41677 7.2788 3.6658 0.89559 7.2612e+05 2023-04-08 05:39:15,729 INFO [main.py:643]
{rank 0/100} MD step = 451900 step time: 00:00:00.018217 Performance: 122.305 ns/day 0.196 hours/ns 7.078 steps/s 2023-04-08 05:39:32,999 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 451900 90380 49.862 -36243 5464.9 -41708 -41708 7.2794 3.6667 0.89572 7.2627e+05 2023-04-08 05:39:34,899 INFO [main.py:643]
{rank 0/100} MD step = 452000 step time: 00:00:00.018027 Performance: 122.296 ns/day 0.196 hours/ns 7.077 steps/s 2023-04-08 05:39:40,134 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 452000 90400 50.233 -36164 5505.6 -41670 -41670 7.277 3.6687 0.89489 7.2646e+05 2023-04-08 05:39:42,070 INFO [main.py:643]
{rank 0/100} MD step = 452100 step time: 00:00:00.018079 Performance: 122.309 ns/day 0.196 hours/ns 7.078 steps/s 2023-04-08 05:39:43,604 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 452100 90420 49.944 -36264 5473.9 -41738 -41738 7.2774 3.6689 0.89317 7.266e+05 2023-04-08 05:39:45,449 INFO [main.py:643]
{rank 0/100} MD step = 452200 step time: 00:00:00.017939 Performance: 122.330 ns/day 0.196 hours/ns 7.079 steps/s 2023-04-08 05:40:15,660 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 452200 90440 49.664 -36184 5443.2 -41627 -41627 7.2766 3.6697 0.89354 7.2677e+05 2023-04-08 05:40:17,690 INFO [main.py:643]
{rank 0/100} MD step = 452300 step time: 00:00:00.018126 Performance: 122.295 ns/day 0.196 hours/ns 7.077 steps/s 2023-04-08 05:40:22,689 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 452300 90460 49.934 -36236 5472.9 -41709 -41709 7.2765 3.6706 0.89304 7.2693e+05 2023-04-08 05:40:24,582 INFO [main.py:643]
{rank 0/100} MD step = 452400 step time: 00:00:00.017962 Performance: 122.309 ns/day 0.196 hours/ns 7.078 steps/s 2023-04-08 05:40:37,262 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 452400 90480 50.05 -36245 5485.5 -41731 -41731 7.2781 3.6701 0.89357 7.271e+05 2023-04-08 05:40:39,251 INFO [main.py:643]
{rank 0/100} MD step = 452500 step time: 00:00:00.017986 Performance: 122.308 ns/day 0.196 hours/ns 7.078 steps/s 2023-04-08 05:40:48,525 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 452500 90500 49.478 -36315 5422.9 -41737 -41737 7.2789 3.6712 0.89258 7.2725e+05 2023-04-08 05:40:50,444 INFO [main.py:643]
{rank 0/100} MD step = 452600 step time: 00:00:00.018008 Performance: 122.313 ns/day 0.196 hours/ns 7.078 steps/s 2023-04-08 05:40:58,716 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 452600 90520 50.046 -36174 5485.2 -41659 -41659 7.2767 3.671 0.89209 7.2742e+05 2023-04-08 05:41:00,703 INFO [main.py:643]
{rank 0/100} MD step = 452700 step time: 00:00:00.017976 Performance: 122.321 ns/day 0.196 hours/ns 7.079 steps/s 2023-04-08 05:41:26,828 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 452700 90540 49.693 -36346 5446.4 -41792 -41792 7.277 3.6708 0.89095 7.2757e+05 2023-04-08 05:41:28,806 INFO [main.py:643]
{rank 0/100} MD step = 452800 step time: 00:00:00.017991 Performance: 122.294 ns/day 0.196 hours/ns 7.077 steps/s 2023-04-08 05:41:30,104 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 452800 90560 49.587 -36243 5434.8 -41678 -41678 7.2766 3.6711 0.89075 7.2773e+05 2023-04-08 05:41:32,003 INFO [main.py:643]
{rank 0/100} MD step = 452900 step time: 00:00:00.018065 Performance: 122.315 ns/day 0.196 hours/ns 7.078 steps/s 2023-04-08 05:41:33,272 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 452900 90580 49.595 -36304 5435.6 -41739 -41739 7.2744 3.6719 0.88994 7.2789e+05 2023-04-08 05:41:35,168 INFO [main.py:643]
{rank 0/100} MD step = 453000 step time: 00:00:00.018003 Performance: 122.336 ns/day 0.196 hours/ns 7.080 steps/s 2023-04-08 05:41:44,300 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 453000 90600 48.977 -36332 5367.9 -41700 -41700 7.2733 3.6728 0.88866 7.2804e+05 2023-04-08 05:41:46,254 INFO [main.py:643]
{rank 0/100} MD step = 453100 step time: 00:00:00.018135 Performance: 122.342 ns/day 0.196 hours/ns 7.080 steps/s 2023-04-08 05:41:46,947 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 453100 90620 50.137 -36163 5495.1 -41658 -41658 7.2746 3.6739 0.89079 7.282e+05 2023-04-08 05:41:52,213 INFO [main.py:643]
{rank 0/100} MD step = 453200 step time: 00:00:00.017919 Performance: 122.357 ns/day 0.196 hours/ns 7.081 steps/s 2023-04-08 05:42:01,576 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 453200 90640 49.932 -36084 5472.6 -41557 -41557 7.274 3.6736 0.89032 7.2837e+05 2023-04-08 05:42:03,568 INFO [main.py:643]
{rank 0/100} MD step = 453300 step time: 00:00:00.017963 Performance: 122.363 ns/day 0.196 hours/ns 7.081 steps/s 2023-04-08 05:42:25,316 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 453300 90660 50.457 -36139 5530.1 -41669 -41669 7.2736 3.6744 0.8897 7.2852e+05 2023-04-08 05:42:27,126 INFO [main.py:643]
{rank 0/100} MD step = 453400 step time: 00:00:00.018047 Performance: 122.345 ns/day 0.196 hours/ns 7.080 steps/s 2023-04-08 05:42:36,179 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 453400 90680 50.389 -36201 5522.7 -41724 -41724 7.2728 3.6751 0.88957 7.2867e+05 2023-04-08 05:42:38,063 INFO [main.py:643]
{rank 0/100} MD step = 453500 step time: 00:00:00.018064 Performance: 122.351 ns/day 0.196 hours/ns 7.080 steps/s 2023-04-08 05:42:46,958 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 453500 90700 50.116 -36129 5492.7 -41622 -41622 7.2735 3.676 0.88929 7.2885e+05 2023-04-08 05:42:48,788 INFO [main.py:643]
{rank 0/100} MD step = 453600 step time: 00:00:00.018106 Performance: 122.357 ns/day 0.196 hours/ns 7.081 steps/s 2023-04-08 05:42:52,604 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 453600 90720 49.011 -36303 5371.7 -41675 -41675 7.2729 3.6759 0.89079 7.2901e+05 2023-04-08 05:42:58,564 INFO [main.py:643]
{rank 0/100} MD step = 453700 step time: 00:00:00.017959 Performance: 122.365 ns/day 0.196 hours/ns 7.081 steps/s 2023-04-08 05:43:08,348 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 453700 90740 49.516 -36258 5427 -41685 -41685 7.2744 3.6777 0.8919 7.2918e+05 2023-04-08 05:43:10,204 INFO [main.py:643]
{rank 0/100} MD step = 453800 step time: 00:00:00.018044 Performance: 122.370 ns/day 0.196 hours/ns 7.082 steps/s 2023-04-08 05:43:14,627 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 453800 90760 50.065 -36235 5487.2 -41723 -41723 7.2747 3.6774 0.89375 7.2933e+05 2023-04-08 05:43:16,512 INFO [main.py:643]
{rank 0/100} MD step = 453900 step time: 00:00:00.018561 Performance: 122.385 ns/day 0.196 hours/ns 7.082 steps/s 2023-04-08 05:43:20,969 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 453900 90780 49.73 -36286 5450.4 -41736 -41736 7.2746 3.6777 0.8934 7.2947e+05 2023-04-08 05:43:22,848 INFO [main.py:643]
{rank 0/100} MD step = 454000 step time: 00:00:00.017896 Performance: 122.400 ns/day 0.196 hours/ns 7.083 steps/s 2023-04-08 05:43:36,719 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 454000 90800 50.584 -36205 5544.1 -41749 -41749 7.2753 3.6767 0.89464 7.2962e+05 2023-04-08 05:43:38,596 INFO [main.py:643]
{rank 0/100} MD step = 454100 step time: 00:00:00.017990 Performance: 122.397 ns/day 0.196 hours/ns 7.083 steps/s 2023-04-08 05:43:45,062 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 454100 90820 49.694 -36236 5446.5 -41683 -41683 7.2771 3.6789 0.89466 7.2979e+05 2023-04-08 05:43:46,886 INFO [main.py:643]
{rank 0/100} MD step = 454200 step time: 00:00:00.018507 Performance: 122.408 ns/day 0.196 hours/ns 7.084 steps/s 2023-04-08 05:43:51,324 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 454200 90840 49.634 -36344 5439.9 -41784 -41784 7.2747 3.6805 0.89465 7.2994e+05 2023-04-08 05:43:53,202 INFO [main.py:643]
{rank 0/100} MD step = 454300 step time: 00:00:00.019966 Performance: 122.423 ns/day 0.196 hours/ns 7.085 steps/s 2023-04-08 05:44:01,165 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 454300 90860 49.393 -36257 5413.6 -41671 -41671 7.2746 3.6804 0.89474 7.3012e+05 2023-04-08 05:44:03,017 INFO [main.py:643]
{rank 0/100} MD step = 454400 step time: 00:00:00.018011 Performance: 122.431 ns/day 0.196 hours/ns 7.085 steps/s 2023-04-08 05:44:09,776 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 454400 90880 50.305 -36024 5513.5 -41538 -41538 7.2749 3.6822 0.89456 7.3032e+05 2023-04-08 05:44:11,678 INFO [main.py:643]
{rank 0/100} MD step = 454500 step time: 00:00:00.018190 Performance: 122.441 ns/day 0.196 hours/ns 7.086 steps/s 2023-04-08 05:44:12,822 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 454500 90900 49.091 -36284 5380.4 -41665 -41665 7.2738 3.6826 0.89402 7.3046e+05 2023-04-08 05:44:14,712 INFO [main.py:643]
{rank 0/100} MD step = 454600 step time: 00:00:00.018698 Performance: 122.463 ns/day 0.196 hours/ns 7.087 steps/s 2023-04-08 05:44:36,180 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 454600 90920 49.551 -36329 5430.8 -41759 -41759 7.2741 3.6821 0.89381 7.3059e+05 2023-04-08 05:44:38,055 INFO [main.py:643]
{rank 0/100} MD step = 454700 step time: 00:00:00.018020 Performance: 122.445 ns/day 0.196 hours/ns 7.086 steps/s 2023-04-08 05:44:51,487 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 454700 90940 49.888 -36201 5467.7 -41669 -41669 7.2722 3.6836 0.89386 7.3078e+05 2023-04-08 05:44:53,314 INFO [main.py:643]
{rank 0/100} MD step = 454800 step time: 00:00:00.018144 Performance: 122.443 ns/day 0.196 hours/ns 7.086 steps/s 2023-04-08 05:45:18,431 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 454800 90960 49.855 -36224 5464.2 -41688 -41688 7.2712 3.6849 0.89384 7.3096e+05 2023-04-08 05:45:24,557 INFO [main.py:643]
{rank 0/100} MD step = 454900 step time: 00:00:00.018267 Performance: 122.410 ns/day 0.196 hours/ns 7.084 steps/s 2023-04-08 05:45:53,057 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 454900 90980 50.142 -36200 5495.7 -41696 -41696 7.271 3.6865 0.89239 7.3111e+05 2023-04-08 05:45:54,930 INFO [main.py:643]
{rank 0/100} MD step = 455000 step time: 00:00:00.018023 Performance: 122.379 ns/day 0.196 hours/ns 7.082 steps/s 2023-04-08 05:45:59,848 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 455000 91000 50.451 -36112 5529.5 -41642 -41642 7.2704 3.6861 0.89037 7.3127e+05 2023-04-08 05:46:01,792 INFO [main.py:643]
{rank 0/100} MD step = 455100 step time: 00:00:00.017964 Performance: 122.393 ns/day 0.196 hours/ns 7.083 steps/s 2023-04-08 05:46:19,032 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 455100 91020 49.899 -36229 5469 -41698 -41698 7.2709 3.6858 0.89099 7.3146e+05 2023-04-08 05:46:20,866 INFO [main.py:643]
{rank 0/100} MD step = 455200 step time: 00:00:00.018452 Performance: 122.384 ns/day 0.196 hours/ns 7.082 steps/s 2023-04-08 05:46:55,432 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 455200 91040 49.026 -36324 5373.3 -41697 -41697 7.2721 3.6865 0.89083 7.3161e+05 2023-04-08 05:46:57,380 INFO [main.py:643]
{rank 0/100} MD step = 455300 step time: 00:00:00.018077 Performance: 122.341 ns/day 0.196 hours/ns 7.080 steps/s 2023-04-08 05:46:58,740 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 455300 91060 49.591 -36222 5435.2 -41657 -41657 7.2734 3.6869 0.89148 7.3179e+05 2023-04-08 05:47:00,716 INFO [main.py:643]
{rank 0/100} MD step = 455400 step time: 00:00:00.020079 Performance: 122.361 ns/day 0.196 hours/ns 7.081 steps/s 2023-04-08 05:47:13,051 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 455400 91080 49.427 -36257 5417.3 -41674 -41674 7.2743 3.6886 0.89037 7.3195e+05 2023-04-08 05:47:15,031 INFO [main.py:643]
{rank 0/100} MD step = 455500 step time: 00:00:00.018064 Performance: 122.361 ns/day 0.196 hours/ns 7.081 steps/s 2023-04-08 05:47:31,671 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 455500 91100 50.373 -36224 5520.9 -41745 -41745 7.2749 3.6873 0.88927 7.3211e+05 2023-04-08 05:47:33,545 INFO [main.py:643]
{rank 0/100} MD step = 455600 step time: 00:00:00.017912 Performance: 122.353 ns/day 0.196 hours/ns 7.081 steps/s 2023-04-08 05:47:49,308 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 455600 91120 50.152 -36159 5496.8 -41656 -41656 7.275 3.6895 0.88915 7.3224e+05 2023-04-08 05:47:51,145 INFO [main.py:643]
{rank 0/100} MD step = 455700 step time: 00:00:00.018052 Performance: 122.346 ns/day 0.196 hours/ns 7.080 steps/s 2023-04-08 05:48:12,677 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 455700 91140 50.863 -36066 5574.7 -41641 -41641 7.2766 3.6895 0.88805 7.3239e+05 2023-04-08 05:48:14,524 INFO [main.py:643]
{rank 0/100} MD step = 455800 step time: 00:00:00.017985 Performance: 122.329 ns/day 0.196 hours/ns 7.079 steps/s 2023-04-08 05:48:23,145 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 455800 91160 50.628 -36163 5548.9 -41712 -41712 7.278 3.6894 0.88914 7.3254e+05 2023-04-08 05:48:25,020 INFO [main.py:643]
{rank 0/100} MD step = 455900 step time: 00:00:00.018075 Performance: 122.335 ns/day 0.196 hours/ns 7.080 steps/s 2023-04-08 05:48:50,368 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 455900 91180 50.3 -36177 5512.9 -41690 -41690 7.2787 3.6886 0.88811 7.3273e+05 2023-04-08 05:48:52,262 INFO [main.py:643]
{rank 0/100} MD step = 456000 step time: 00:00:00.018015 Performance: 122.311 ns/day 0.196 hours/ns 7.078 steps/s 2023-04-08 05:49:04,194 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 456000 91200 50.224 -36173 5504.6 -41677 -41677 7.2795 3.6891 0.88742 7.3291e+05 2023-04-08 05:49:06,115 INFO [main.py:643]
{rank 0/100} MD step = 456100 step time: 00:00:00.017979 Performance: 122.311 ns/day 0.196 hours/ns 7.078 steps/s 2023-04-08 05:49:15,019 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 456100 91220 49.738 -36327 5451.3 -41778 -41778 7.2799 3.689 0.88712 7.3307e+05 2023-04-08 05:49:20,832 INFO [main.py:643]
{rank 0/100} MD step = 456200 step time: 00:00:00.017962 Performance: 122.310 ns/day 0.196 hours/ns 7.078 steps/s 2023-04-08 05:49:36,243 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 456200 91240 50.612 -36243 5547.1 -41790 -41790 7.2786 3.6899 0.88773 7.332e+05 2023-04-08 05:49:38,246 INFO [main.py:643]
{rank 0/100} MD step = 456300 step time: 00:00:00.018311 Performance: 122.304 ns/day 0.196 hours/ns 7.078 steps/s 2023-04-08 05:49:42,971 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 456300 91260 49.579 -36380 5433.9 -41814 -41814 7.2784 3.6909 0.88707 7.3337e+05 2023-04-08 05:49:44,868 INFO [main.py:643]
{rank 0/100} MD step = 456400 step time: 00:00:00.017954 Performance: 122.318 ns/day 0.196 hours/ns 7.079 steps/s 2023-04-08 05:49:55,146 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 456400 91280 49.686 -36281 5445.7 -41727 -41727 7.2793 3.6928 0.88776 7.3357e+05 2023-04-08 05:49:56,987 INFO [main.py:643]
{rank 0/100} MD step = 456500 step time: 00:00:00.018023 Performance: 122.322 ns/day 0.196 hours/ns 7.079 steps/s 2023-04-08 05:50:12,990 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 456500 91300 49.999 -36191 5479.9 -41671 -41671 7.279 3.6943 0.88885 7.3371e+05 2023-04-08 05:50:14,868 INFO [main.py:643]
{rank 0/100} MD step = 456600 step time: 00:00:00.018004 Performance: 122.315 ns/day 0.196 hours/ns 7.078 steps/s 2023-04-08 05:50:34,335 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 456600 91320 50.384 -36172 5522.1 -41695 -41695 7.2777 3.6945 0.88937 7.3388e+05 2023-04-08 05:50:36,274 INFO [main.py:643]
{rank 0/100} MD step = 456700 step time: 00:00:00.018150 Performance: 122.301 ns/day 0.196 hours/ns 7.078 steps/s 2023-04-08 05:50:57,886 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 456700 91340 49.927 -36237 5472.1 -41709 -41709 7.2782 3.692 0.89072 7.3403e+05 2023-04-08 05:50:59,753 INFO [main.py:643]
{rank 0/100} MD step = 456800 step time: 00:00:00.017857 Performance: 122.283 ns/day 0.196 hours/ns 7.077 steps/s 2023-04-08 05:51:12,930 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 456800 91360 50.403 -36207 5524.2 -41731 -41731 7.2771 3.6913 0.89067 7.3417e+05 2023-04-08 05:51:14,991 INFO [main.py:643]
{rank 0/100} MD step = 456900 step time: 00:00:00.018056 Performance: 122.281 ns/day 0.196 hours/ns 7.076 steps/s 2023-04-08 05:51:32,742 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 456900 91380 49.869 -36218 5465.7 -41684 -41684 7.277 3.6914 0.89003 7.3434e+05 2023-04-08 05:51:34,681 INFO [main.py:643]
{rank 0/100} MD step = 457000 step time: 00:00:00.017910 Performance: 122.271 ns/day 0.196 hours/ns 7.076 steps/s 2023-04-08 05:51:47,808 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 457000 91400 49.897 -36215 5468.8 -41684 -41684 7.2753 3.6924 0.88979 7.3451e+05 2023-04-08 05:51:49,780 INFO [main.py:643]
{rank 0/100} MD step = 457100 step time: 00:00:00.018326 Performance: 122.269 ns/day 0.196 hours/ns 7.076 steps/s 2023-04-08 05:52:32,428 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 457100 91420 50.053 -36214 5485.8 -41700 -41700 7.2724 3.6918 0.88984 7.3468e+05 2023-04-08 05:52:34,375 INFO [main.py:643]
{rank 0/100} MD step = 457200 step time: 00:00:00.017941 Performance: 122.211 ns/day 0.196 hours/ns 7.072 steps/s 2023-04-08 05:53:00,476 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 457200 91440 50.823 -36143 5570.2 -41714 -41714 7.273 3.6927 0.89041 7.3484e+05 2023-04-08 05:53:02,310 INFO [main.py:643]
{rank 0/100} MD step = 457300 step time: 00:00:00.017945 Performance: 122.185 ns/day 0.196 hours/ns 7.071 steps/s 2023-04-08 05:53:11,486 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 457300 91460 49.662 -36302 5443 -41745 -41745 7.2713 3.6923 0.89072 7.3499e+05 2023-04-08 05:53:13,339 INFO [main.py:643]
{rank 0/100} MD step = 457400 step time: 00:00:00.018135 Performance: 122.191 ns/day 0.196 hours/ns 7.071 steps/s 2023-04-08 05:53:21,992 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 457400 91480 50.28 -36167 5510.7 -41678 -41678 7.27 3.6922 0.89195 7.3516e+05 2023-04-08 05:53:23,861 INFO [main.py:643]
{rank 0/100} MD step = 457500 step time: 00:00:00.017926 Performance: 122.198 ns/day 0.196 hours/ns 7.072 steps/s 2023-04-08 05:53:49,687 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 457500 91500 49.771 -36215 5455 -41670 -41670 7.2693 3.692 0.8919 7.3532e+05 2023-04-08 05:53:51,545 INFO [main.py:643]
{rank 0/100} MD step = 457600 step time: 00:00:00.017913 Performance: 122.172 ns/day 0.196 hours/ns 7.070 steps/s 2023-04-08 05:53:56,194 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 457600 91520 50.398 -36097 5523.7 -41621 -41621 7.2692 3.6934 0.89228 7.3547e+05 2023-04-08 05:53:58,087 INFO [main.py:643]
{rank 0/100} MD step = 457700 step time: 00:00:00.019912 Performance: 122.187 ns/day 0.196 hours/ns 7.071 steps/s 2023-04-08 05:54:20,023 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 457700 91540 50.248 -36208 5507.2 -41715 -41715 7.2695 3.694 0.89264 7.3563e+05 2023-04-08 05:54:21,855 INFO [main.py:643]
{rank 0/100} MD step = 457800 step time: 00:00:00.018504 Performance: 122.168 ns/day 0.196 hours/ns 7.070 steps/s 2023-04-08 05:54:34,888 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 457800 91560 49.418 -36317 5416.3 -41733 -41733 7.2682 3.6943 0.89133 7.358e+05 2023-04-08 05:54:41,050 INFO [main.py:643]
{rank 0/100} MD step = 457900 step time: 00:00:00.018097 Performance: 122.159 ns/day 0.196 hours/ns 7.069 steps/s 2023-04-08 05:55:06,982 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 457900 91580 49.612 -36193 5437.6 -41631 -41631 7.2691 3.695 0.89255 7.3598e+05 2023-04-08 05:55:08,940 INFO [main.py:643]
{rank 0/100} MD step = 458000 step time: 00:00:00.017974 Performance: 122.133 ns/day 0.197 hours/ns 7.068 steps/s 2023-04-08 05:55:34,964 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 458000 91600 50.54 -36201 5539.2 -41741 -41741 7.2688 3.6958 0.89215 7.361e+05 2023-04-08 05:55:40,977 INFO [main.py:643]
{rank 0/100} MD step = 458100 step time: 00:00:00.017947 Performance: 122.099 ns/day 0.197 hours/ns 7.066 steps/s 2023-04-08 05:56:02,984 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 458100 91620 50.984 -36100 5587.9 -41688 -41688 7.2675 3.6961 0.89216 7.3626e+05 2023-04-08 05:56:05,005 INFO [main.py:643]
{rank 0/100} MD step = 458200 step time: 00:00:00.020635 Performance: 122.081 ns/day 0.197 hours/ns 7.065 steps/s 2023-04-08 05:56:18,291 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 458200 91640 48.999 -36340 5370.3 -41710 -41710 7.2696 3.6949 0.89171 7.3643e+05 2023-04-08 05:56:23,990 INFO [main.py:643]
{rank 0/100} MD step = 458300 step time: 00:00:00.017887 Performance: 122.072 ns/day 0.197 hours/ns 7.064 steps/s 2023-04-08 05:56:45,813 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 458300 91660 48.791 -36400 5347.6 -41748 -41748 7.2702 3.6974 0.89288 7.3659e+05 2023-04-08 05:56:47,776 INFO [main.py:643]
{rank 0/100} MD step = 458400 step time: 00:00:00.017953 Performance: 122.053 ns/day 0.197 hours/ns 7.063 steps/s 2023-04-08 05:57:05,927 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 458400 91680 50.239 -36230 5506.3 -41736 -41736 7.2719 3.6962 0.89321 7.3675e+05 2023-04-08 05:57:07,871 INFO [main.py:643]
{rank 0/100} MD step = 458500 step time: 00:00:00.020982 Performance: 122.042 ns/day 0.197 hours/ns 7.063 steps/s 2023-04-08 05:57:28,875 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 458500 91700 49.09 -36226 5380.3 -41606 -41606 7.2694 3.6963 0.89456 7.3692e+05 2023-04-08 05:57:30,782 INFO [main.py:643]
{rank 0/100} MD step = 458600 step time: 00:00:00.017941 Performance: 122.026 ns/day 0.197 hours/ns 7.062 steps/s 2023-04-08 05:58:05,406 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 458600 91720 49.902 -36186 5469.3 -41655 -41655 7.2698 3.6955 0.89567 7.3708e+05 2023-04-08 05:58:07,314 INFO [main.py:643]
{rank 0/100} MD step = 458700 step time: 00:00:00.018069 Performance: 121.984 ns/day 0.197 hours/ns 7.059 steps/s 2023-04-08 05:58:29,174 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 458700 91740 50.327 -36175 5515.9 -41691 -41691 7.2709 3.697 0.89731 7.3725e+05 2023-04-08 05:58:31,044 INFO [main.py:643]
{rank 0/100} MD step = 458800 step time: 00:00:00.018002 Performance: 121.966 ns/day 0.197 hours/ns 7.058 steps/s 2023-04-08 05:58:44,259 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 458800 91760 50.354 -36159 5518.9 -41678 -41678 7.2741 3.6986 0.89759 7.374e+05 2023-04-08 05:58:46,135 INFO [main.py:643]
{rank 0/100} MD step = 458900 step time: 00:00:00.017983 Performance: 121.964 ns/day 0.197 hours/ns 7.058 steps/s 2023-04-08 05:58:59,024 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 458900 91780 50.202 -36168 5502.2 -41670 -41670 7.2751 3.7001 0.89814 7.3754e+05 2023-04-08 05:59:00,954 INFO [main.py:643]
{rank 0/100} MD step = 459000 step time: 00:00:00.017702 Performance: 121.963 ns/day 0.197 hours/ns 7.058 steps/s 2023-04-08 05:59:11,857 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 459000 91800 49.772 -36265 5455 -41720 -41720 7.2766 3.7028 0.89817 7.3772e+05 2023-04-08 05:59:13,853 INFO [main.py:643]
{rank 0/100} MD step = 459100 step time: 00:00:00.017775 Performance: 121.965 ns/day 0.197 hours/ns 7.058 steps/s 2023-04-08 05:59:26,948 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 459100 91820 50.292 -36231 5512.1 -41743 -41743 7.2793 3.7054 0.89765 7.3788e+05 2023-04-08 05:59:28,817 INFO [main.py:643]
{rank 0/100} MD step = 459200 step time: 00:00:00.017913 Performance: 121.964 ns/day 0.197 hours/ns 7.058 steps/s 2023-04-08 05:59:50,593 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 459200 91840 49.207 -36333 5393.1 -41726 -41726 7.2791 3.705 0.89839 7.3804e+05 2023-04-08 05:59:52,535 INFO [main.py:643]
{rank 0/100} MD step = 459300 step time: 00:00:00.017970 Performance: 121.946 ns/day 0.197 hours/ns 7.057 steps/s 2023-04-08 06:00:01,432 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 459300 91860 49.947 -36244 5474.2 -41718 -41718 7.28 3.7067 0.89778 7.3822e+05 2023-04-08 06:00:03,317 INFO [main.py:643]
{rank 0/100} MD step = 459400 step time: 00:00:00.017952 Performance: 121.952 ns/day 0.197 hours/ns 7.057 steps/s 2023-04-08 06:00:21,256 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 459400 91880 49.501 -36276 5425.3 -41701 -41701 7.2809 3.7072 0.89803 7.3836e+05 2023-04-08 06:00:23,209 INFO [main.py:643]
{rank 0/100} MD step = 459500 step time: 00:00:00.017893 Performance: 121.942 ns/day 0.197 hours/ns 7.057 steps/s 2023-04-08 06:00:36,080 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 459500 91900 50.328 -36199 5516.1 -41715 -41715 7.2799 3.7082 0.89735 7.3853e+05 2023-04-08 06:00:37,982 INFO [main.py:643]
{rank 0/100} MD step = 459600 step time: 00:00:00.018292 Performance: 121.940 ns/day 0.197 hours/ns 7.057 steps/s 2023-04-08 06:01:07,081 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 459600 91920 50.366 -36246 5520.1 -41766 -41766 7.28 3.7089 0.89817 7.3867e+05 2023-04-08 06:01:09,991 INFO [main.py:643]
{rank 0/100} MD step = 459700 step time: 00:00:00.018276 Performance: 121.907 ns/day 0.197 hours/ns 7.055 steps/s 2023-04-08 06:01:32,827 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 459700 91940 49.839 -36185 5462.4 -41647 -41647 7.2787 3.7094 0.8994 7.3885e+05 2023-04-08 06:01:35,129 INFO [main.py:643]
{rank 0/100} MD step = 459800 step time: 00:00:00.017751 Performance: 121.887 ns/day 0.197 hours/ns 7.054 steps/s 2023-04-08 06:01:55,554 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 459800 91960 50.362 -36185 5519.7 -41705 -41705 7.2788 3.7092 0.89944 7.3899e+05 2023-04-08 06:01:57,511 INFO [main.py:643]
{rank 0/100} MD step = 459900 step time: 00:00:00.018028 Performance: 121.871 ns/day 0.197 hours/ns 7.053 steps/s 2023-04-08 06:02:27,576 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 459900 91980 50.579 -36167 5543.6 -41710 -41710 7.2775 3.711 0.89974 7.3915e+05 2023-04-08 06:02:29,456 INFO [main.py:643]
{rank 0/100} MD step = 460000 step time: 00:00:00.018125 Performance: 121.838 ns/day 0.197 hours/ns 7.051 steps/s 2023-04-08 06:02:55,236 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 460000 92000 50.403 -36206 5524.2 -41731 -41731 7.2781 3.7136 0.89891 7.3929e+05 2023-04-08 06:02:57,897 INFO [main.py:643]
{rank 0/100} MD step = 460100 step time: 00:00:00.021108 Performance: 121.811 ns/day 0.197 hours/ns 7.049 steps/s 2023-04-08 06:03:14,941 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 460100 92020 50.954 -36029 5584.6 -41614 -41614 7.2799 3.7147 0.8994 7.3947e+05 2023-04-08 06:03:16,819 INFO [main.py:643]
{rank 0/100} MD step = 460200 step time: 00:00:00.017931 Performance: 121.803 ns/day 0.197 hours/ns 7.049 steps/s 2023-04-08 06:03:42,617 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 460200 92040 49.049 -36324 5375.9 -41700 -41700 7.2799 3.7161 0.89921 7.3962e+05 2023-04-08 06:03:52,715 INFO [main.py:643]
{rank 0/100} MD step = 460300 step time: 00:00:00.017967 Performance: 121.762 ns/day 0.197 hours/ns 7.046 steps/s 2023-04-08 06:04:12,484 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 460300 92060 50.031 -36189 5483.4 -41672 -41672 7.2782 3.7165 0.89933 7.3981e+05 2023-04-08 06:04:14,302 INFO [main.py:643]
{rank 0/100} MD step = 460400 step time: 00:00:00.017824 Performance: 121.748 ns/day 0.197 hours/ns 7.046 steps/s 2023-04-08 06:04:45,278 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 460400 92080 49.61 -36265 5437.3 -41702 -41702 7.2784 3.7179 0.89955 7.3995e+05 2023-04-08 06:04:47,230 INFO [main.py:643]
{rank 0/100} MD step = 460500 step time: 00:00:00.017982 Performance: 121.713 ns/day 0.197 hours/ns 7.044 steps/s 2023-04-08 06:04:59,990 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 460500 92100 49.141 -36289 5385.9 -41675 -41675 7.2783 3.7186 0.89908 7.4013e+05 2023-04-08 06:05:05,675 INFO [main.py:643]
{rank 0/100} MD step = 460600 step time: 00:00:00.018017 Performance: 121.705 ns/day 0.197 hours/ns 7.043 steps/s 2023-04-08 06:05:23,581 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 460600 92120 49.412 -36315 5415.6 -41731 -41731 7.2772 3.7192 0.90056 7.403e+05 2023-04-08 06:05:25,429 INFO [main.py:643]
{rank 0/100} MD step = 460700 step time: 00:00:00.017951 Performance: 121.695 ns/day 0.197 hours/ns 7.043 steps/s 2023-04-08 06:05:29,965 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 460700 92140 49.868 -36217 5465.6 -41682 -41682 7.2768 3.72 0.90261 7.4049e+05 2023-04-08 06:05:31,847 INFO [main.py:643]
{rank 0/100} MD step = 460800 step time: 00:00:00.017922 Performance: 121.710 ns/day 0.197 hours/ns 7.043 steps/s 2023-04-08 06:05:58,009 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 460800 92160 50.254 -36001 5507.9 -41509 -41509 7.2774 3.7202 0.90331 7.4068e+05 2023-04-08 06:06:00,092 INFO [main.py:643]
{rank 0/100} MD step = 460900 step time: 00:00:00.017758 Performance: 121.683 ns/day 0.197 hours/ns 7.042 steps/s 2023-04-08 06:06:13,328 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 460900 92180 49.727 -36265 5450.1 -41715 -41715 7.2789 3.7217 0.90315 7.4083e+05 2023-04-08 06:06:15,217 INFO [main.py:643]
{rank 0/100} MD step = 461000 step time: 00:00:00.018062 Performance: 121.682 ns/day 0.197 hours/ns 7.042 steps/s 2023-04-08 06:06:40,660 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 461000 92200 49.654 -36225 5442.1 -41667 -41667 7.2777 3.7222 0.90432 7.41e+05 2023-04-08 06:06:42,706 INFO [main.py:643]
{rank 0/100} MD step = 461100 step time: 00:00:00.018034 Performance: 121.657 ns/day 0.197 hours/ns 7.040 steps/s 2023-04-08 06:06:57,869 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 461100 92220 49.762 -36213 5453.9 -41667 -41667 7.2768 3.7228 0.90525 7.4119e+05 2023-04-08 06:06:59,907 INFO [main.py:643]
{rank 0/100} MD step = 461200 step time: 00:00:00.018008 Performance: 121.652 ns/day 0.197 hours/ns 7.040 steps/s 2023-04-08 06:07:17,173 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 461200 92240 49.513 -36251 5426.7 -41678 -41678 7.2764 3.7241 0.90617 7.4135e+05 2023-04-08 06:07:19,122 INFO [main.py:643]
{rank 0/100} MD step = 461300 step time: 00:00:00.018170 Performance: 121.642 ns/day 0.197 hours/ns 7.039 steps/s 2023-04-08 06:07:40,893 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 461300 92260 49.918 -36183 5471.1 -41654 -41654 7.2768 3.7239 0.90634 7.415e+05 2023-04-08 06:07:46,897 INFO [main.py:643]
{rank 0/100} MD step = 461400 step time: 00:00:00.018028 Performance: 121.617 ns/day 0.197 hours/ns 7.038 steps/s 2023-04-08 06:08:11,201 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 461400 92280 51.035 -36101 5593.5 -41695 -41695 7.2754 3.7245 0.90818 7.4168e+05 2023-04-08 06:08:13,016 INFO [main.py:643]
{rank 0/100} MD step = 461500 step time: 00:00:00.017853 Performance: 121.595 ns/day 0.197 hours/ns 7.037 steps/s 2023-04-08 06:08:30,539 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 461500 92300 49.022 -36271 5372.9 -41644 -41644 7.2736 3.7257 0.90706 7.4184e+05 2023-04-08 06:08:32,526 INFO [main.py:643]
{rank 0/100} MD step = 461600 step time: 00:00:00.017942 Performance: 121.585 ns/day 0.197 hours/ns 7.036 steps/s 2023-04-08 06:08:49,660 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 461600 92320 50.007 -36194 5480.9 -41675 -41675 7.2742 3.7259 0.90938 7.4198e+05 2023-04-08 06:08:51,561 INFO [main.py:643]
{rank 0/100} MD step = 461700 step time: 00:00:00.018123 Performance: 121.576 ns/day 0.197 hours/ns 7.036 steps/s 2023-04-08 06:09:13,543 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 461700 92340 49.752 -36218 5452.9 -41671 -41671 7.2717 3.7259 0.90778 7.4214e+05 2023-04-08 06:09:15,499 INFO [main.py:643]
{rank 0/100} MD step = 461800 step time: 00:00:00.018196 Performance: 121.558 ns/day 0.197 hours/ns 7.035 steps/s 2023-04-08 06:09:23,853 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 461800 92360 49.472 -36243 5422.2 -41665 -41665 7.271 3.7271 0.90678 7.4234e+05 2023-04-08 06:09:25,798 INFO [main.py:643]
{rank 0/100} MD step = 461900 step time: 00:00:00.017919 Performance: 121.565 ns/day 0.197 hours/ns 7.035 steps/s 2023-04-08 06:09:38,901 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 461900 92380 50.053 -36137 5485.9 -41623 -41623 7.2714 3.7301 0.90593 7.425e+05 2023-04-08 06:09:40,827 INFO [main.py:643]
{rank 0/100} MD step = 462000 step time: 00:00:00.017948 Performance: 121.564 ns/day 0.197 hours/ns 7.035 steps/s 2023-04-08 06:09:58,176 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 462000 92400 49.692 -36312 5446.3 -41758 -41758 7.2696 3.732 0.90751 7.4263e+05 2023-04-08 06:09:59,998 INFO [main.py:643]
{rank 0/100} MD step = 462100 step time: 00:00:00.017912 Performance: 121.555 ns/day 0.197 hours/ns 7.034 steps/s 2023-04-08 06:10:13,604 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 462100 92420 49.493 -36132 5424.5 -41557 -41557 7.2682 3.732 0.90613 7.4282e+05 2023-04-08 06:10:15,606 INFO [main.py:643]
{rank 0/100} MD step = 462200 step time: 00:00:00.018004 Performance: 121.552 ns/day 0.197 hours/ns 7.034 steps/s 2023-04-08 06:10:24,728 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 462200 92440 49.825 -36250 5460.8 -41711 -41711 7.2701 3.7336 0.90608 7.4296e+05 2023-04-08 06:10:26,640 INFO [main.py:643]
{rank 0/100} MD step = 462300 step time: 00:00:00.018014 Performance: 121.558 ns/day 0.197 hours/ns 7.035 steps/s 2023-04-08 06:10:31,415 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 462300 92460 50.218 -36181 5503.9 -41685 -41685 7.2709 3.7347 0.90685 7.4314e+05 2023-04-08 06:10:33,349 INFO [main.py:643]
{rank 0/100} MD step = 462400 step time: 00:00:00.018123 Performance: 121.572 ns/day 0.197 hours/ns 7.035 steps/s 2023-04-08 06:10:34,732 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 462400 92480 50.115 -36214 5492.6 -41707 -41707 7.2705 3.7363 0.90935 7.4328e+05 2023-04-08 06:10:36,787 INFO [main.py:643]
{rank 0/100} MD step = 462500 step time: 00:00:00.018044 Performance: 121.592 ns/day 0.197 hours/ns 7.037 steps/s 2023-04-08 06:10:54,338 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 462500 92500 50.604 -36129 5546.2 -41675 -41675 7.2701 3.7376 0.90936 7.4345e+05 2023-04-08 06:11:00,030 INFO [main.py:643]
{rank 0/100} MD step = 462600 step time: 00:00:00.022903 Performance: 121.575 ns/day 0.197 hours/ns 7.036 steps/s 2023-04-08 06:11:05,520 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 462600 92520 50.42 -36148 5526 -41674 -41674 7.2684 3.7381 0.90813 7.4363e+05 2023-04-08 06:11:11,131 INFO [main.py:643]
{rank 0/100} MD step = 462700 step time: 00:00:00.018020 Performance: 121.581 ns/day 0.197 hours/ns 7.036 steps/s 2023-04-08 06:11:20,296 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 462700 92540 49.705 -36345 5447.7 -41793 -41793 7.2683 3.7381 0.90702 7.4374e+05 2023-04-08 06:11:26,040 INFO [main.py:643]
{rank 0/100} MD step = 462800 step time: 00:00:00.018019 Performance: 121.580 ns/day 0.197 hours/ns 7.036 steps/s 2023-04-08 06:11:54,366 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 462800 92560 49.9 -36285 5469.1 -41755 -41755 7.2683 3.7386 0.90666 7.4391e+05 2023-04-08 06:11:56,223 INFO [main.py:643]
{rank 0/100} MD step = 462900 step time: 00:00:00.018070 Performance: 121.550 ns/day 0.197 hours/ns 7.034 steps/s 2023-04-08 06:12:13,687 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 462900 92580 49.87 -36227 5465.8 -41693 -41693 7.2676 3.7382 0.90679 7.4409e+05 2023-04-08 06:12:15,645 INFO [main.py:643]
{rank 0/100} MD step = 463000 step time: 00:00:00.017875 Performance: 121.541 ns/day 0.197 hours/ns 7.034 steps/s 2023-04-08 06:12:33,347 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 463000 92600 49.807 -36289 5458.9 -41748 -41748 7.2673 3.7395 0.9079 7.4426e+05 2023-04-08 06:12:35,160 INFO [main.py:643]
{rank 0/100} MD step = 463100 step time: 00:00:00.017979 Performance: 121.531 ns/day 0.197 hours/ns 7.033 steps/s 2023-04-08 06:12:52,412 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 463100 92620 49.86 -36221 5464.7 -41686 -41686 7.2673 3.7398 0.90769 7.4444e+05 2023-04-08 06:12:54,272 INFO [main.py:643]
{rank 0/100} MD step = 463200 step time: 00:00:00.018058 Performance: 121.522 ns/day 0.197 hours/ns 7.033 steps/s 2023-04-08 06:13:07,489 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 463200 92640 50.156 -36134 5497.2 -41631 -41631 7.2665 3.7398 0.90839 7.4461e+05 2023-04-08 06:13:09,404 INFO [main.py:643]
{rank 0/100} MD step = 463300 step time: 00:00:00.018005 Performance: 121.520 ns/day 0.197 hours/ns 7.032 steps/s 2023-04-08 06:13:13,744 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 463300 92660 49.511 -36254 5426.5 -41680 -41680 7.2675 3.742 0.90844 7.4477e+05 2023-04-08 06:13:19,646 INFO [main.py:643]
{rank 0/100} MD step = 463400 step time: 00:00:00.018503 Performance: 121.527 ns/day 0.197 hours/ns 7.033 steps/s 2023-04-08 06:13:48,497 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 463400 92680 50.261 -36157 5508.6 -41666 -41666 7.2685 3.7431 0.90959 7.4497e+05 2023-04-08 06:13:50,371 INFO [main.py:643]
{rank 0/100} MD step = 463500 step time: 00:00:00.018050 Performance: 121.497 ns/day 0.198 hours/ns 7.031 steps/s 2023-04-08 06:14:11,822 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 463500 92700 49.497 -36289 5424.9 -41714 -41714 7.2686 3.7428 0.91031 7.4511e+05 2023-04-08 06:14:13,712 INFO [main.py:643]
{rank 0/100} MD step = 463600 step time: 00:00:00.017951 Performance: 121.480 ns/day 0.198 hours/ns 7.030 steps/s 2023-04-08 06:14:26,521 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 463600 92720 50.696 -36160 5556.4 -41716 -41716 7.2675 3.7425 0.91049 7.4528e+05 2023-04-08 06:14:28,348 INFO [main.py:643]
{rank 0/100} MD step = 463700 step time: 00:00:00.017993 Performance: 121.479 ns/day 0.198 hours/ns 7.030 steps/s 2023-04-08 06:14:38,081 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 463700 92740 49.817 -36150 5460 -41610 -41610 7.2653 3.7425 0.91104 7.4549e+05 2023-04-08 06:14:39,910 INFO [main.py:643]
{rank 0/100} MD step = 463800 step time: 00:00:00.018045 Performance: 121.484 ns/day 0.198 hours/ns 7.030 steps/s 2023-04-08 06:14:53,015 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 463800 92760 49.609 -36235 5437.2 -41672 -41672 7.2668 3.7446 0.9122 7.4566e+05 2023-04-08 06:14:54,950 INFO [main.py:643]
{rank 0/100} MD step = 463900 step time: 00:00:00.018336 Performance: 121.483 ns/day 0.198 hours/ns 7.030 steps/s 2023-04-08 06:15:20,258 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 463900 92780 50.212 -36166 5503.3 -41669 -41669 7.2683 3.7466 0.91303 7.4583e+05 2023-04-08 06:15:22,054 INFO [main.py:643]
{rank 0/100} MD step = 464000 step time: 00:00:00.017908 Performance: 121.459 ns/day 0.198 hours/ns 7.029 steps/s 2023-04-08 06:15:25,462 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 464000 92800 49.899 -36261 5469 -41730 -41730 7.2693 3.7474 0.91297 7.4597e+05 2023-04-08 06:15:27,360 INFO [main.py:643]
{rank 0/100} MD step = 464100 step time: 00:00:00.017894 Performance: 121.476 ns/day 0.198 hours/ns 7.030 steps/s 2023-04-08 06:15:35,424 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 464100 92820 49.337 -36283 5407.4 -41691 -41691 7.2696 3.7476 0.91349 7.4614e+05 2023-04-08 06:15:37,344 INFO [main.py:643]
{rank 0/100} MD step = 464200 step time: 00:00:00.018099 Performance: 121.483 ns/day 0.198 hours/ns 7.030 steps/s 2023-04-08 06:15:46,654 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 464200 92840 49.763 -36193 5454 -41647 -41647 7.2699 3.7482 0.91339 7.4631e+05 2023-04-08 06:15:48,556 INFO [main.py:643]
{rank 0/100} MD step = 464300 step time: 00:00:00.017963 Performance: 121.489 ns/day 0.198 hours/ns 7.031 steps/s 2023-04-08 06:15:53,155 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 464300 92860 50.422 -36093 5526.3 -41619 -41619 7.2696 3.7489 0.91381 7.4647e+05 2023-04-08 06:15:54,953 INFO [main.py:643]
{rank 0/100} MD step = 464400 step time: 00:00:00.018449 Performance: 121.503 ns/day 0.198 hours/ns 7.031 steps/s 2023-04-08 06:15:59,966 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 464400 92880 50.224 -36257 5504.6 -41761 -41761 7.2699 3.7494 0.91438 7.4662e+05 2023-04-08 06:16:01,770 INFO [main.py:643]
{rank 0/100} MD step = 464500 step time: 00:00:00.017959 Performance: 121.517 ns/day 0.198 hours/ns 7.032 steps/s 2023-04-08 06:16:10,690 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 464500 92900 49.312 -36226 5404.6 -41630 -41630 7.2711 3.7495 0.91328 7.4678e+05 2023-04-08 06:16:12,497 INFO [main.py:643]
{rank 0/100} MD step = 464600 step time: 00:00:00.018059 Performance: 121.523 ns/day 0.197 hours/ns 7.033 steps/s 2023-04-08 06:16:33,610 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 464600 92920 50.074 -36187 5488.1 -41675 -41675 7.2719 3.7483 0.91161 7.4696e+05 2023-04-08 06:16:39,463 INFO [main.py:643]
{rank 0/100} MD step = 464700 step time: 00:00:00.018132 Performance: 121.500 ns/day 0.198 hours/ns 7.031 steps/s 2023-04-08 06:16:41,286 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 464700 92940 50.176 -36127 5499.3 -41627 -41627 7.272 3.7503 0.91029 7.4712e+05 2023-04-08 06:16:43,115 INFO [main.py:643]
{rank 0/100} MD step = 464800 step time: 00:00:00.020572 Performance: 121.519 ns/day 0.197 hours/ns 7.032 steps/s 2023-04-08 06:16:55,307 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 464800 92960 50.503 -36194 5535.2 -41729 -41729 7.2692 3.7521 0.91069 7.4727e+05 2023-04-08 06:16:57,143 INFO [main.py:643]
{rank 0/100} MD step = 464900 step time: 00:00:00.017974 Performance: 121.520 ns/day 0.197 hours/ns 7.032 steps/s 2023-04-08 06:17:18,643 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 464900 92980 49.353 -36258 5409.2 -41667 -41667 7.2701 3.7545 0.90851 7.4741e+05 2023-04-08 06:17:20,526 INFO [main.py:643]
{rank 0/100} MD step = 465000 step time: 00:00:00.017926 Performance: 121.503 ns/day 0.198 hours/ns 7.031 steps/s 2023-04-08 06:17:42,289 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 465000 93000 50.127 -36002 5494 -41496 -41496 7.2731 3.7553 0.90945 7.4759e+05 2023-04-08 06:17:44,183 INFO [main.py:643]
{rank 0/100} MD step = 465100 step time: 00:00:00.018142 Performance: 121.485 ns/day 0.198 hours/ns 7.030 steps/s 2023-04-08 06:17:53,374 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 465100 93020 50.533 -36132 5538.5 -41670 -41670 7.2751 3.7547 0.90824 7.4773e+05 2023-04-08 06:17:55,296 INFO [main.py:643]
{rank 0/100} MD step = 465200 step time: 00:00:00.017968 Performance: 121.491 ns/day 0.198 hours/ns 7.031 steps/s 2023-04-08 06:17:57,136 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 465200 93040 49.799 -36085 5458.1 -41544 -41544 7.2751 3.7549 0.90902 7.4791e+05 2023-04-08 06:17:58,952 INFO [main.py:643]
{rank 0/100} MD step = 465300 step time: 00:00:00.017901 Performance: 121.511 ns/day 0.198 hours/ns 7.032 steps/s 2023-04-08 06:18:08,162 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 465300 93060 50.732 -36236 5560.2 -41796 -41796 7.2737 3.7568 0.9099 7.4805e+05 2023-04-08 06:18:10,018 INFO [main.py:643]
{rank 0/100} MD step = 465400 step time: 00:00:00.017995 Performance: 121.516 ns/day 0.198 hours/ns 7.032 steps/s 2023-04-08 06:18:31,719 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 465400 93080 49.137 -36183 5385.5 -41568 -41568 7.2737 3.759 0.90978 7.4827e+05 2023-04-08 06:18:33,554 INFO [main.py:643]
{rank 0/100} MD step = 465500 step time: 00:00:00.017932 Performance: 121.499 ns/day 0.198 hours/ns 7.031 steps/s 2023-04-08 06:18:42,528 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 465500 93100 50.444 -36227 5528.7 -41755 -41755 7.2742 3.7587 0.91032 7.4838e+05 2023-04-08 06:18:44,498 INFO [main.py:643]
{rank 0/100} MD step = 465600 step time: 00:00:00.017914 Performance: 121.505 ns/day 0.198 hours/ns 7.032 steps/s 2023-04-08 06:18:57,482 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 465600 93120 50.299 -36202 5512.9 -41715 -41715 7.2734 3.7592 0.91003 7.4856e+05 2023-04-08 06:18:59,318 INFO [main.py:643]
{rank 0/100} MD step = 465700 step time: 00:00:00.018981 Performance: 121.504 ns/day 0.198 hours/ns 7.031 steps/s 2023-04-08 06:19:20,913 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 465700 93140 49.382 -36222 5412.3 -41634 -41634 7.273 3.7587 0.9098 7.4874e+05 2023-04-08 06:19:22,848 INFO [main.py:643]
{rank 0/100} MD step = 465800 step time: 00:00:00.018052 Performance: 121.487 ns/day 0.198 hours/ns 7.031 steps/s 2023-04-08 06:19:31,461 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 465800 93160 49.945 -36237 5474 -41711 -41711 7.2734 3.758 0.91166 7.4888e+05 2023-04-08 06:19:33,527 INFO [main.py:643]
{rank 0/100} MD step = 465900 step time: 00:00:00.017924 Performance: 121.494 ns/day 0.198 hours/ns 7.031 steps/s 2023-04-08 06:19:38,703 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 465900 93180 49.573 -36217 5433.2 -41650 -41650 7.2698 3.76 0.9127 7.4906e+05 2023-04-08 06:19:40,633 INFO [main.py:643]
{rank 0/100} MD step = 466000 step time: 00:00:00.017947 Performance: 121.507 ns/day 0.198 hours/ns 7.032 steps/s 2023-04-08 06:19:41,777 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 466000 93200 49.852 -36123 5463.8 -41587 -41587 7.27 3.7608 0.91333 7.4926e+05 2023-04-08 06:19:43,678 INFO [main.py:643]
{rank 0/100} MD step = 466100 step time: 00:00:00.018232 Performance: 121.527 ns/day 0.197 hours/ns 7.033 steps/s 2023-04-08 06:19:47,915 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 466100 93220 49.581 -36148 5434.1 -41582 -41582 7.2699 3.7621 0.9127 7.4939e+05 2023-04-08 06:19:49,766 INFO [main.py:643]
{rank 0/100} MD step = 466200 step time: 00:00:00.018052 Performance: 121.542 ns/day 0.197 hours/ns 7.034 steps/s 2023-04-08 06:19:57,635 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 466200 93240 49.858 -36163 5464.5 -41628 -41628 7.2676 3.7618 0.91188 7.4957e+05 2023-04-08 06:19:59,459 INFO [main.py:643]
{rank 0/100} MD step = 466300 step time: 00:00:00.017996 Performance: 121.550 ns/day 0.197 hours/ns 7.034 steps/s 2023-04-08 06:20:03,649 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 466300 93260 49.978 -36237 5477.6 -41715 -41715 7.2691 3.7639 0.9108 7.4971e+05 2023-04-08 06:20:05,580 INFO [main.py:643]
{rank 0/100} MD step = 466400 step time: 00:00:00.018030 Performance: 121.565 ns/day 0.197 hours/ns 7.035 steps/s 2023-04-08 06:20:14,412 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 466400 93280 50.172 -36237 5498.9 -41736 -41736 7.2696 3.7651 0.91061 7.4984e+05 2023-04-08 06:20:16,358 INFO [main.py:643]
{rank 0/100} MD step = 466500 step time: 00:00:00.017997 Performance: 121.572 ns/day 0.197 hours/ns 7.035 steps/s 2023-04-08 06:20:17,587 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 466500 93300 49.339 -36334 5407.6 -41742 -41742 7.2695 3.765 0.91008 7.5001e+05 2023-04-08 06:20:19,447 INFO [main.py:643]
{rank 0/100} MD step = 466600 step time: 00:00:00.018042 Performance: 121.592 ns/day 0.197 hours/ns 7.037 steps/s 2023-04-08 06:20:20,638 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 466600 93320 49.883 -36289 5467.2 -41756 -41756 7.2687 3.765 0.90998 7.5018e+05 2023-04-08 06:20:22,502 INFO [main.py:643]
{rank 0/100} MD step = 466700 step time: 00:00:00.018091 Performance: 121.612 ns/day 0.197 hours/ns 7.038 steps/s 2023-04-08 06:20:28,127 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 466700 93340 50.071 -36264 5487.8 -41752 -41752 7.2669 3.7675 0.9118 7.5033e+05 2023-04-08 06:20:30,155 INFO [main.py:643]
{rank 0/100} MD step = 466800 step time: 00:00:00.017940 Performance: 121.624 ns/day 0.197 hours/ns 7.038 steps/s 2023-04-08 06:20:34,042 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 466800 93360 49.604 -36252 5436.7 -41688 -41688 7.2669 3.7687 0.91217 7.5052e+05 2023-04-08 06:20:35,918 INFO [main.py:643]
{rank 0/100} MD step = 466900 step time: 00:00:00.017897 Performance: 121.640 ns/day 0.197 hours/ns 7.039 steps/s 2023-04-08 06:20:37,214 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 466900 93380 49.816 -36235 5459.9 -41695 -41695 7.2667 3.7693 0.91051 7.5068e+05 2023-04-08 06:20:39,054 INFO [main.py:643]
{rank 0/100} MD step = 467000 step time: 00:00:00.018092 Performance: 121.660 ns/day 0.197 hours/ns 7.041 steps/s 2023-04-08 06:20:46,994 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 467000 93400 50.047 -36197 5485.2 -41683 -41683 7.2653 3.7704 0.91112 7.5087e+05 2023-04-08 06:20:49,356 INFO [main.py:643]
{rank 0/100} MD step = 467100 step time: 00:00:00.018115 Performance: 121.667 ns/day 0.197 hours/ns 7.041 steps/s 2023-04-08 06:20:54,218 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 467100 93420 50.174 -36187 5499.2 -41686 -41686 7.266 3.7706 0.91226 7.5101e+05 2023-04-08 06:20:56,085 INFO [main.py:643]
{rank 0/100} MD step = 467200 step time: 00:00:00.017981 Performance: 121.681 ns/day 0.197 hours/ns 7.042 steps/s 2023-04-08 06:21:00,517 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 467200 93440 49.172 -36257 5389.3 -41646 -41646 7.2632 3.7704 0.9122 7.512e+05 2023-04-08 06:21:02,337 INFO [main.py:643]
{rank 0/100} MD step = 467300 step time: 00:00:00.017745 Performance: 121.696 ns/day 0.197 hours/ns 7.043 steps/s 2023-04-08 06:21:19,689 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 467300 93460 50.29 -36150 5511.8 -41661 -41661 7.2627 3.7708 0.91126 7.5134e+05 2023-04-08 06:21:21,620 INFO [main.py:643]
{rank 0/100} MD step = 467400 step time: 00:00:00.017801 Performance: 121.686 ns/day 0.197 hours/ns 7.042 steps/s 2023-04-08 06:21:29,973 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 467400 93480 49.826 -36264 5460.9 -41725 -41725 7.2644 3.771 0.91307 7.5147e+05 2023-04-08 06:21:32,149 INFO [main.py:643]
{rank 0/100} MD step = 467500 step time: 00:00:00.018019 Performance: 121.693 ns/day 0.197 hours/ns 7.042 steps/s 2023-04-08 06:21:33,449 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 467500 93500 49.232 -36279 5395.8 -41674 -41674 7.2654 3.7718 0.91331 7.5165e+05 2023-04-08 06:21:35,299 INFO [main.py:643]
{rank 0/100} MD step = 467600 step time: 00:00:00.018222 Performance: 121.713 ns/day 0.197 hours/ns 7.044 steps/s 2023-04-08 06:21:44,018 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 467600 93520 49.498 -36205 5425 -41630 -41630 7.2662 3.7722 0.9131 7.5181e+05 2023-04-08 06:21:45,869 INFO [main.py:643]
{rank 0/100} MD step = 467700 step time: 00:00:00.018008 Performance: 121.720 ns/day 0.197 hours/ns 7.044 steps/s 2023-04-08 06:21:49,280 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 467700 93540 50.086 -36241 5489.5 -41730 -41730 7.2644 3.7737 0.91582 7.5192e+05 2023-04-08 06:21:51,479 INFO [main.py:643]
{rank 0/100} MD step = 467800 step time: 00:00:00.017969 Performance: 121.736 ns/day 0.197 hours/ns 7.045 steps/s 2023-04-08 06:22:04,187 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 467800 93560 49.944 -36187 5473.9 -41661 -41661 7.2635 3.7749 0.91626 7.5212e+05 2023-04-08 06:22:06,060 INFO [main.py:643]
{rank 0/100} MD step = 467900 step time: 00:00:00.018068 Performance: 121.735 ns/day 0.197 hours/ns 7.045 steps/s 2023-04-08 06:22:07,221 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 467900 93580 49.883 -36208 5467.3 -41675 -41675 7.2637 3.7763 0.91537 7.5228e+05 2023-04-08 06:22:09,124 INFO [main.py:643]
{rank 0/100} MD step = 468000 step time: 00:00:00.018053 Performance: 121.755 ns/day 0.197 hours/ns 7.046 steps/s 2023-04-08 06:22:10,335 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 468000 93600 50.126 -36216 5493.8 -41710 -41710 7.2658 3.7761 0.91439 7.5243e+05 2023-04-08 06:22:12,147 INFO [main.py:643]
{rank 0/100} MD step = 468100 step time: 00:00:00.018252 Performance: 121.776 ns/day 0.197 hours/ns 7.047 steps/s 2023-04-08 06:22:17,985 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 468100 93620 50.324 -36091 5515.6 -41607 -41607 7.2634 3.7747 0.91648 7.5263e+05 2023-04-08 06:22:19,979 INFO [main.py:643]
{rank 0/100} MD step = 468200 step time: 00:00:00.017801 Performance: 121.787 ns/day 0.197 hours/ns 7.048 steps/s 2023-04-08 06:22:32,242 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 468200 93640 50.124 -36327 5493.7 -41820 -41820 7.2633 3.7749 0.91659 7.5278e+05 2023-04-08 06:22:34,083 INFO [main.py:643]
{rank 0/100} MD step = 468300 step time: 00:00:00.018045 Performance: 121.788 ns/day 0.197 hours/ns 7.048 steps/s 2023-04-08 06:22:38,363 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 468300 93660 50.042 -36225 5484.6 -41709 -41709 7.2641 3.7759 0.91559 7.5297e+05 2023-04-08 06:22:40,170 INFO [main.py:643]
{rank 0/100} MD step = 468400 step time: 00:00:00.018085 Performance: 121.802 ns/day 0.197 hours/ns 7.049 steps/s 2023-04-08 06:22:45,306 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 468400 93680 49.548 -36143 5430.5 -41574 -41574 7.2642 3.7765 0.91685 7.5314e+05 2023-04-08 06:22:47,218 INFO [main.py:643]
{rank 0/100} MD step = 468500 step time: 00:00:00.017940 Performance: 121.816 ns/day 0.197 hours/ns 7.050 steps/s 2023-04-08 06:22:51,188 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 468500 93700 49.59 -36330 5435.1 -41765 -41765 7.2628 3.7785 0.9174 7.5328e+05 2023-04-08 06:22:52,977 INFO [main.py:643]
{rank 0/100} MD step = 468600 step time: 00:00:00.018083 Performance: 121.831 ns/day 0.197 hours/ns 7.050 steps/s 2023-04-08 06:23:02,027 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 468600 93720 49.87 -36252 5465.8 -41718 -41718 7.2611 3.7777 0.91572 7.5344e+05 2023-04-08 06:23:03,988 INFO [main.py:643]
{rank 0/100} MD step = 468700 step time: 00:00:00.017950 Performance: 121.837 ns/day 0.197 hours/ns 7.051 steps/s 2023-04-08 06:23:13,504 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 468700 93740 50.07 -36213 5487.7 -41701 -41701 7.2624 3.7778 0.91388 7.536e+05 2023-04-08 06:23:15,417 INFO [main.py:643]
{rank 0/100} MD step = 468800 step time: 00:00:00.018142 Performance: 121.842 ns/day 0.197 hours/ns 7.051 steps/s 2023-04-08 06:23:20,225 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 468800 93760 50.394 -36241 5523.2 -41764 -41764 7.2624 3.7803 0.91449 7.5378e+05 2023-04-08 06:23:22,103 INFO [main.py:643]
{rank 0/100} MD step = 468900 step time: 00:00:00.017948 Performance: 121.856 ns/day 0.197 hours/ns 7.052 steps/s 2023-04-08 06:23:25,989 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 468900 93780 50.562 -36255 5541.6 -41796 -41796 7.2632 3.7821 0.91562 7.5391e+05 2023-04-08 06:23:27,954 INFO [main.py:643]
{rank 0/100} MD step = 469000 step time: 00:00:00.017932 Performance: 121.871 ns/day 0.197 hours/ns 7.053 steps/s 2023-04-08 06:23:37,020 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 469000 93800 49.54 -36238 5429.6 -41668 -41668 7.2645 3.7815 0.91582 7.5409e+05 2023-04-08 06:23:38,853 INFO [main.py:643]
{rank 0/100} MD step = 469100 step time: 00:00:00.018347 Performance: 121.877 ns/day 0.197 hours/ns 7.053 steps/s 2023-04-08 06:23:39,662 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 469100 93820 49.655 -36312 5442.3 -41754 -41754 7.2648 3.7822 0.91676 7.5421e+05 2023-04-08 06:23:41,964 INFO [main.py:643]
{rank 0/100} MD step = 469200 step time: 00:00:00.017779 Performance: 121.897 ns/day 0.197 hours/ns 7.054 steps/s 2023-04-08 06:23:58,151 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 469200 93840 49.744 -36220 5452 -41672 -41672 7.2657 3.783 0.9178 7.5438e+05 2023-04-08 06:24:00,005 INFO [main.py:643]
{rank 0/100} MD step = 469300 step time: 00:00:00.018241 Performance: 121.890 ns/day 0.197 hours/ns 7.054 steps/s 2023-04-08 06:24:08,530 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 469300 93860 49.359 -36349 5409.8 -41759 -41759 7.2643 3.7835 0.91774 7.5451e+05 2023-04-08 06:24:10,415 INFO [main.py:643]
{rank 0/100} MD step = 469400 step time: 00:00:00.017849 Performance: 121.897 ns/day 0.197 hours/ns 7.054 steps/s 2023-04-08 06:24:23,805 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 469400 93880 50.078 -36252 5488.6 -41741 -41741 7.2635 3.7837 0.9169 7.5471e+05 2023-04-08 06:24:29,691 INFO [main.py:643]
{rank 0/100} MD step = 469500 step time: 00:00:00.017960 Performance: 121.888 ns/day 0.197 hours/ns 7.054 steps/s 2023-04-08 06:24:47,465 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 469500 93900 50.189 -36100 5500.8 -41601 -41601 7.2649 3.7827 0.917 7.5488e+05 2023-04-08 06:24:49,325 INFO [main.py:643]
{rank 0/100} MD step = 469600 step time: 00:00:00.017959 Performance: 121.878 ns/day 0.197 hours/ns 7.053 steps/s 2023-04-08 06:24:58,206 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 469600 93920 50.619 -36158 5547.9 -41706 -41706 7.2657 3.7831 0.91922 7.5503e+05 2023-04-08 06:25:00,100 INFO [main.py:643]
{rank 0/100} MD step = 469700 step time: 00:00:00.019748 Performance: 121.884 ns/day 0.197 hours/ns 7.053 steps/s 2023-04-08 06:25:04,689 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 469700 93940 50.383 -36152 5522 -41674 -41674 7.2666 3.7839 0.91853 7.552e+05 2023-04-08 06:25:10,736 INFO [main.py:643]
{rank 0/100} MD step = 469800 step time: 00:00:00.017842 Performance: 121.890 ns/day 0.197 hours/ns 7.054 steps/s 2023-04-08 06:25:19,950 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 469800 93960 49.932 -36188 5472.7 -41661 -41661 7.2659 3.7838 0.91771 7.5536e+05 2023-04-08 06:25:21,867 INFO [main.py:643]
{rank 0/100} MD step = 469900 step time: 00:00:00.018025 Performance: 121.896 ns/day 0.197 hours/ns 7.054 steps/s 2023-04-08 06:25:23,188 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 469900 93980 50.219 -36224 5504.1 -41728 -41728 7.2645 3.7843 0.91773 7.5549e+05 2023-04-08 06:25:25,046 INFO [main.py:643]
{rank 0/100} MD step = 470000 step time: 00:00:00.017941 Performance: 121.916 ns/day 0.197 hours/ns 7.055 steps/s 2023-04-08 06:25:41,444 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 470000 94000 50.646 -36249 5550.9 -41800 -41800 7.2654 3.7856 0.91862 7.5564e+05 2023-04-08 06:25:43,310 INFO [main.py:643]
{rank 0/100} MD step = 470100 step time: 00:00:00.017998 Performance: 121.909 ns/day 0.197 hours/ns 7.055 steps/s 2023-04-08 06:26:00,184 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 470100 94020 49.072 -36279 5378.3 -41657 -41657 7.2651 3.7858 0.9189 7.5582e+05 2023-04-08 06:26:01,986 INFO [main.py:643]
{rank 0/100} MD step = 470200 step time: 00:00:00.018036 Performance: 121.900 ns/day 0.197 hours/ns 7.054 steps/s 2023-04-08 06:26:06,603 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 470200 94040 49.287 -36305 5401.9 -41707 -41707 7.2667 3.7878 0.91799 7.5599e+05 2023-04-08 06:26:08,626 INFO [main.py:643]
{rank 0/100} MD step = 470300 step time: 00:00:00.018322 Performance: 121.914 ns/day 0.197 hours/ns 7.055 steps/s 2023-04-08 06:26:13,619 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 470300 94060 49.769 -36290 5454.7 -41744 -41744 7.2696 3.7883 0.91862 7.5613e+05 2023-04-08 06:26:15,657 INFO [main.py:643]
{rank 0/100} MD step = 470400 step time: 00:00:00.018019 Performance: 121.927 ns/day 0.197 hours/ns 7.056 steps/s 2023-04-08 06:26:23,995 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 470400 94080 50.061 -36216 5486.7 -41702 -41702 7.2704 3.7875 0.92003 7.563e+05 2023-04-08 06:26:25,831 INFO [main.py:643]
{rank 0/100} MD step = 470500 step time: 00:00:00.017938 Performance: 121.934 ns/day 0.197 hours/ns 7.056 steps/s 2023-04-08 06:26:51,747 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 470500 94100 49.754 -36290 5453.1 -41743 -41743 7.2703 3.7873 0.92201 7.5646e+05 2023-04-08 06:26:53,702 INFO [main.py:643]
{rank 0/100} MD step = 470600 step time: 00:00:00.017970 Performance: 121.909 ns/day 0.197 hours/ns 7.055 steps/s 2023-04-08 06:27:04,940 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 470600 94120 50.745 -36127 5561.7 -41689 -41689 7.2701 3.7872 0.92335 7.5661e+05 2023-04-08 06:27:06,787 INFO [main.py:643]
{rank 0/100} MD step = 470700 step time: 00:00:00.018118 Performance: 121.911 ns/day 0.197 hours/ns 7.055 steps/s 2023-04-08 06:27:19,937 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 470700 94140 50.526 -36196 5537.7 -41734 -41734 7.2726 3.7888 0.92455 7.5674e+05 2023-04-08 06:27:26,061 INFO [main.py:643]
{rank 0/100} MD step = 470800 step time: 00:00:00.017932 Performance: 121.902 ns/day 0.197 hours/ns 7.055 steps/s 2023-04-08 06:27:35,436 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 470800 94160 49.589 -36207 5435.1 -41642 -41642 7.2755 3.7909 0.92371 7.5692e+05 2023-04-08 06:27:37,440 INFO [main.py:643]
{rank 0/100} MD step = 470900 step time: 00:00:00.018115 Performance: 121.907 ns/day 0.197 hours/ns 7.055 steps/s 2023-04-08 06:27:45,594 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 470900 94180 49.532 -36244 5428.7 -41672 -41672 7.2743 3.7935 0.92433 7.5708e+05 2023-04-08 06:27:47,508 INFO [main.py:643]
{rank 0/100} MD step = 471000 step time: 00:00:00.017872 Performance: 121.915 ns/day 0.197 hours/ns 7.055 steps/s 2023-04-08 06:28:04,829 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 471000 94200 50.382 -36145 5522 -41667 -41667 7.2759 3.7945 0.92365 7.5722e+05 2023-04-08 06:28:06,794 INFO [main.py:643]
{rank 0/100} MD step = 471100 step time: 00:00:00.018144 Performance: 121.905 ns/day 0.197 hours/ns 7.055 steps/s 2023-04-08 06:28:15,740 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 471100 94220 50.043 -36216 5484.7 -41701 -41701 7.2763 3.7955 0.92559 7.5736e+05 2023-04-08 06:28:17,633 INFO [main.py:643]
{rank 0/100} MD step = 471200 step time: 00:00:00.017885 Performance: 121.911 ns/day 0.197 hours/ns 7.055 steps/s 2023-04-08 06:28:22,941 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 471200 94240 50.279 -36180 5510.6 -41691 -41691 7.2758 3.7953 0.92633 7.5755e+05 2023-04-08 06:28:24,797 INFO [main.py:643]
{rank 0/100} MD step = 471300 step time: 00:00:00.018588 Performance: 121.924 ns/day 0.197 hours/ns 7.056 steps/s 2023-04-08 06:28:49,790 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 471300 94260 49.253 -36280 5398.2 -41678 -41678 7.2728 3.7964 0.92649 7.577e+05 2023-04-08 06:28:51,780 INFO [main.py:643]
{rank 0/100} MD step = 471400 step time: 00:00:00.018054 Performance: 121.901 ns/day 0.197 hours/ns 7.054 steps/s 2023-04-08 06:29:05,038 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 471400 94280 49.868 -36178 5465.6 -41644 -41644 7.2708 3.796 0.92763 7.5787e+05 2023-04-08 06:29:06,884 INFO [main.py:643]
{rank 0/100} MD step = 471500 step time: 00:00:00.017941 Performance: 121.899 ns/day 0.197 hours/ns 7.054 steps/s 2023-04-08 06:29:20,084 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 471500 94300 50.114 -36272 5492.6 -41764 -41764 7.2704 3.7972 0.93041 7.5804e+05 2023-04-08 06:29:22,345 INFO [main.py:643]
{rank 0/100} MD step = 471600 step time: 00:00:00.019947 Performance: 121.897 ns/day 0.197 hours/ns 7.054 steps/s 2023-04-08 06:29:52,391 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 471600 94320 50.473 -36102 5531.9 -41634 -41634 7.2708 3.7978 0.93111 7.582e+05 2023-04-08 06:29:54,296 INFO [main.py:643]
{rank 0/100} MD step = 471700 step time: 00:00:00.018179 Performance: 121.864 ns/day 0.197 hours/ns 7.052 steps/s 2023-04-08 06:30:03,383 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 471700 94340 49.576 -36317 5433.6 -41751 -41751 7.2715 3.7982 0.93028 7.5836e+05 2023-04-08 06:30:05,212 INFO [main.py:643]
{rank 0/100} MD step = 471800 step time: 00:00:00.017900 Performance: 121.870 ns/day 0.197 hours/ns 7.053 steps/s 2023-04-08 06:30:18,326 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 471800 94360 50.833 -36272 5571.3 -41843 -41843 7.2698 3.799 0.93165 7.5849e+05 2023-04-08 06:30:20,315 INFO [main.py:643]
{rank 0/100} MD step = 471900 step time: 00:00:00.017884 Performance: 121.869 ns/day 0.197 hours/ns 7.053 steps/s 2023-04-08 06:31:12,376 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 471900 94380 50.443 -36139 5528.6 -41667 -41667 7.2704 3.8006 0.93161 7.5868e+05 2023-04-08 06:31:14,551 INFO [main.py:643]
{rank 0/100} MD step = 472000 step time: 00:00:00.018042 Performance: 121.796 ns/day 0.197 hours/ns 7.048 steps/s 2023-04-08 06:31:36,292 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 472000 94400 48.999 -36325 5370.3 -41695 -41695 7.2712 3.7987 0.93181 7.5885e+05 2023-04-08 06:31:41,309 INFO [main.py:643]
{rank 0/100} MD step = 472100 step time: 00:00:00.018079 Performance: 121.773 ns/day 0.197 hours/ns 7.047 steps/s 2023-04-08 06:31:56,930 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 472100 94420 49.837 -36190 5462.2 -41652 -41652 7.2723 3.8014 0.93161 7.5901e+05 2023-04-08 06:31:58,770 INFO [main.py:643]
{rank 0/100} MD step = 472200 step time: 00:00:00.017972 Performance: 121.767 ns/day 0.197 hours/ns 7.047 steps/s 2023-04-08 06:32:12,339 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 472200 94440 50.144 -36290 5495.9 -41786 -41786 7.2733 3.8016 0.93076 7.5914e+05 2023-04-08 06:32:14,143 INFO [main.py:643]
{rank 0/100} MD step = 472300 step time: 00:00:00.018011 Performance: 121.765 ns/day 0.197 hours/ns 7.047 steps/s 2023-04-08 06:32:30,996 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 472300 94460 50.277 -36131 5510.4 -41642 -41642 7.2729 3.8036 0.93116 7.5933e+05 2023-04-08 06:32:32,825 INFO [main.py:643]
{rank 0/100} MD step = 472400 step time: 00:00:00.017890 Performance: 121.757 ns/day 0.197 hours/ns 7.046 steps/s 2023-04-08 06:32:41,797 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 472400 94480 49.82 -36085 5460.3 -41546 -41546 7.27 3.8044 0.93096 7.5947e+05 2023-04-08 06:32:43,638 INFO [main.py:643]
{rank 0/100} MD step = 472500 step time: 00:00:00.018051 Performance: 121.763 ns/day 0.197 hours/ns 7.046 steps/s 2023-04-08 06:32:56,884 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 472500 94500 50.422 -36203 5526.3 -41730 -41730 7.2685 3.8057 0.93091 7.5962e+05 2023-04-08 06:33:07,442 INFO [main.py:643]
{rank 0/100} MD step = 472600 step time: 00:00:00.018002 Performance: 121.745 ns/day 0.197 hours/ns 7.045 steps/s 2023-04-08 06:33:33,516 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 472600 94520 50.254 -36177 5507.9 -41684 -41684 7.2681 3.806 0.93241 7.5977e+05 2023-04-08 06:33:35,437 INFO [main.py:643]
{rank 0/100} MD step = 472700 step time: 00:00:00.018148 Performance: 121.720 ns/day 0.197 hours/ns 7.044 steps/s 2023-04-08 06:33:45,147 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 472700 94540 50.624 -36158 5548.5 -41707 -41707 7.2681 3.8074 0.93281 7.5996e+05 2023-04-08 06:33:47,103 INFO [main.py:643]
{rank 0/100} MD step = 472800 step time: 00:00:00.017847 Performance: 121.725 ns/day 0.197 hours/ns 7.044 steps/s 2023-04-08 06:34:12,315 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 472800 94560 49.563 -36386 5432.2 -41818 -41818 7.2697 3.8066 0.933 7.6009e+05 2023-04-08 06:34:14,112 INFO [main.py:643]
{rank 0/100} MD step = 472900 step time: 00:00:00.017825 Performance: 121.702 ns/day 0.197 hours/ns 7.043 steps/s 2023-04-08 06:34:23,140 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 472900 94580 50.331 -36111 5516.4 -41628 -41628 7.2708 3.8091 0.93339 7.6027e+05 2023-04-08 06:34:25,062 INFO [main.py:643]
{rank 0/100} MD step = 473000 step time: 00:00:00.019791 Performance: 121.708 ns/day 0.197 hours/ns 7.043 steps/s 2023-04-08 06:34:50,692 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 473000 94600 49.49 -36366 5424.2 -41790 -41790 7.2709 3.8097 0.93477 7.6039e+05 2023-04-08 06:34:52,541 INFO [main.py:643]
{rank 0/100} MD step = 473100 step time: 00:00:00.017956 Performance: 121.684 ns/day 0.197 hours/ns 7.042 steps/s 2023-04-08 06:35:20,776 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 473100 94620 50.248 -36137 5507.3 -41645 -41645 7.2709 3.8091 0.93432 7.6057e+05 2023-04-08 06:35:22,758 INFO [main.py:643]
{rank 0/100} MD step = 473200 step time: 00:00:00.018067 Performance: 121.655 ns/day 0.197 hours/ns 7.040 steps/s 2023-04-08 06:35:36,174 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 473200 94640 50.135 -36174 5494.8 -41668 -41668 7.2712 3.8095 0.93438 7.6074e+05 2023-04-08 06:35:38,228 INFO [main.py:643]
{rank 0/100} MD step = 473300 step time: 00:00:00.018057 Performance: 121.652 ns/day 0.197 hours/ns 7.040 steps/s 2023-04-08 06:36:09,137 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 473300 94660 50.568 -36243 5542.3 -41785 -41785 7.2729 3.8102 0.93411 7.6084e+05 2023-04-08 06:36:11,224 INFO [main.py:643]
{rank 0/100} MD step = 473400 step time: 00:00:00.018027 Performance: 121.618 ns/day 0.197 hours/ns 7.038 steps/s 2023-04-08 06:36:40,206 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 473400 94680 49.323 -36208 5405.9 -41614 -41614 7.2715 3.8116 0.93523 7.6103e+05 2023-04-08 06:36:42,193 INFO [main.py:643]
{rank 0/100} MD step = 473500 step time: 00:00:00.018118 Performance: 121.588 ns/day 0.197 hours/ns 7.036 steps/s 2023-04-08 06:37:02,052 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 473500 94700 49.835 -36259 5462 -41721 -41721 7.2715 3.813 0.93338 7.6116e+05 2023-04-08 06:37:04,035 INFO [main.py:643]
{rank 0/100} MD step = 473600 step time: 00:00:00.017927 Performance: 121.574 ns/day 0.197 hours/ns 7.036 steps/s 2023-04-08 06:37:17,260 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 473600 94720 49.563 -36315 5432.2 -41747 -41747 7.2725 3.8134 0.93416 7.6131e+05 2023-04-08 06:37:19,195 INFO [main.py:643]
{rank 0/100} MD step = 473700 step time: 00:00:00.018034 Performance: 121.573 ns/day 0.197 hours/ns 7.035 steps/s 2023-04-08 06:37:20,449 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 473700 94740 50.333 -36186 5516.6 -41702 -41702 7.2742 3.8154 0.93253 7.6148e+05 2023-04-08 06:37:22,292 INFO [main.py:643]
{rank 0/100} MD step = 473800 step time: 00:00:00.018044 Performance: 121.593 ns/day 0.197 hours/ns 7.037 steps/s 2023-04-08 06:37:23,481 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 473800 94760 49.691 -36076 5446.2 -41523 -41523 7.2752 3.818 0.9334 7.6167e+05 2023-04-08 06:37:25,401 INFO [main.py:643]
{rank 0/100} MD step = 473900 step time: 00:00:00.017903 Performance: 121.613 ns/day 0.197 hours/ns 7.038 steps/s 2023-04-08 06:37:30,634 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 473900 94780 50.309 -36218 5514 -41732 -41732 7.2751 3.8194 0.93455 7.618e+05 2023-04-08 06:37:32,465 INFO [main.py:643]
{rank 0/100} MD step = 474000 step time: 00:00:00.018058 Performance: 121.626 ns/day 0.197 hours/ns 7.039 steps/s 2023-04-08 06:37:57,525 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 474000 94800 49.601 -36231 5436.4 -41667 -41667 7.2752 3.8189 0.93457 7.6198e+05 2023-04-08 06:37:59,393 INFO [main.py:643]
{rank 0/100} MD step = 474100 step time: 00:00:00.017976 Performance: 121.603 ns/day 0.197 hours/ns 7.037 steps/s 2023-04-08 06:38:09,280 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 474100 94820 49.792 -36301 5457.3 -41758 -41758 7.2749 3.8193 0.93656 7.6212e+05 2023-04-08 06:38:11,344 INFO [main.py:643]
{rank 0/100} MD step = 474200 step time: 00:00:00.017928 Performance: 121.607 ns/day 0.197 hours/ns 7.037 steps/s 2023-04-08 06:38:12,550 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 474200 94840 50.128 -36124 5494.1 -41618 -41618 7.2768 3.8212 0.93697 7.6229e+05 2023-04-08 06:38:14,408 INFO [main.py:643]
{rank 0/100} MD step = 474300 step time: 00:00:00.017929 Performance: 121.627 ns/day 0.197 hours/ns 7.039 steps/s 2023-04-08 06:38:44,929 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 474300 94860 49.79 -36148 5457 -41605 -41605 7.2763 3.8222 0.93723 7.6245e+05 2023-04-08 06:38:46,765 INFO [main.py:643]
{rank 0/100} MD step = 474400 step time: 00:00:00.017745 Performance: 121.594 ns/day 0.197 hours/ns 7.037 steps/s 2023-04-08 06:38:55,596 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 474400 94880 50.012 -36261 5481.4 -41742 -41742 7.2736 3.8242 0.9379 7.6261e+05 2023-04-08 06:38:57,492 INFO [main.py:643]
{rank 0/100} MD step = 474500 step time: 00:00:00.018137 Performance: 121.600 ns/day 0.197 hours/ns 7.037 steps/s 2023-04-08 06:39:06,620 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 474500 94900 48.483 -36430 5313.8 -41744 -41744 7.2747 3.8252 0.93821 7.6277e+05 2023-04-08 06:39:08,497 INFO [main.py:643]
{rank 0/100} MD step = 474600 step time: 00:00:00.018060 Performance: 121.606 ns/day 0.197 hours/ns 7.037 steps/s 2023-04-08 06:39:38,477 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 474600 94920 49.601 -36189 5436.3 -41625 -41625 7.2747 3.8246 0.93727 7.6294e+05 2023-04-08 06:39:40,523 INFO [main.py:643]
{rank 0/100} MD step = 474700 step time: 00:00:00.018054 Performance: 121.574 ns/day 0.197 hours/ns 7.036 steps/s 2023-04-08 06:39:53,771 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 474700 94940 49.457 -36215 5420.6 -41635 -41635 7.276 3.8263 0.93843 7.6309e+05 2023-04-08 06:39:55,604 INFO [main.py:643]
{rank 0/100} MD step = 474800 step time: 00:00:00.018212 Performance: 121.572 ns/day 0.197 hours/ns 7.035 steps/s 2023-04-08 06:40:08,782 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 474800 94960 50.432 -36045 5527.4 -41572 -41572 7.2755 3.8275 0.939 7.6327e+05 2023-04-08 06:40:10,665 INFO [main.py:643]
{rank 0/100} MD step = 474900 step time: 00:00:00.018150 Performance: 121.571 ns/day 0.197 hours/ns 7.035 steps/s 2023-04-08 06:40:27,932 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 474900 94980 49.968 -36209 5476.5 -41685 -41685 7.2772 3.8282 0.94019 7.634e+05 2023-04-08 06:40:34,430 INFO [main.py:643]
{rank 0/100} MD step = 475000 step time: 00:00:00.018101 Performance: 121.554 ns/day 0.197 hours/ns 7.034 steps/s 2023-04-08 06:41:12,826 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 475000 95000 49.024 -36359 5373.1 -41732 -41732 7.2776 3.8292 0.94119 7.6355e+05 2023-04-08 06:41:15,018 INFO [main.py:643]
{rank 0/100} MD step = 475100 step time: 00:00:00.018035 Performance: 121.506 ns/day 0.198 hours/ns 7.032 steps/s 2023-04-08 06:41:36,731 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 475100 95020 50.548 -36155 5540.2 -41695 -41695 7.2768 3.8291 0.94272 7.6371e+05 2023-04-08 06:41:38,964 INFO [main.py:643]
{rank 0/100} MD step = 475200 step time: 00:00:00.018184 Performance: 121.489 ns/day 0.198 hours/ns 7.031 steps/s 2023-04-08 06:41:55,945 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 475200 95040 49.867 -36185 5465.4 -41651 -41651 7.2768 3.8297 0.94441 7.6388e+05 2023-04-08 06:41:58,324 INFO [main.py:643]
{rank 0/100} MD step = 475300 step time: 00:00:00.018098 Performance: 121.480 ns/day 0.198 hours/ns 7.030 steps/s 2023-04-08 06:42:15,397 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 475300 95060 50.27 -36194 5509.6 -41703 -41703 7.2752 3.8299 0.94552 7.6403e+05 2023-04-08 06:42:17,238 INFO [main.py:643]
{rank 0/100} MD step = 475400 step time: 00:00:00.017942 Performance: 121.471 ns/day 0.198 hours/ns 7.030 steps/s 2023-04-08 06:42:38,922 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 475400 95080 50.004 -36167 5480.5 -41647 -41647 7.2742 3.83 0.94499 7.6425e+05 2023-04-08 06:42:40,980 INFO [main.py:643]
{rank 0/100} MD step = 475500 step time: 00:00:00.018371 Performance: 121.454 ns/day 0.198 hours/ns 7.029 steps/s 2023-04-08 06:43:06,739 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 475500 95100 50.448 -36260 5529.2 -41789 -41789 7.2737 3.8314 0.94533 7.6437e+05 2023-04-08 06:43:08,843 INFO [main.py:643]
{rank 0/100} MD step = 475600 step time: 00:00:00.017901 Performance: 121.430 ns/day 0.198 hours/ns 7.027 steps/s 2023-04-08 06:43:30,672 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 475600 95120 49.717 -36237 5449 -41686 -41686 7.2743 3.8324 0.94637 7.6455e+05 2023-04-08 06:43:32,571 INFO [main.py:643]
{rank 0/100} MD step = 475700 step time: 00:00:00.018108 Performance: 121.413 ns/day 0.198 hours/ns 7.026 steps/s 2023-04-08 06:43:37,630 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 475700 95140 49.643 -36263 5441 -41704 -41704 7.2731 3.8336 0.94746 7.6472e+05 2023-04-08 06:43:39,510 INFO [main.py:643]
{rank 0/100} MD step = 475800 step time: 00:00:00.017965 Performance: 121.426 ns/day 0.198 hours/ns 7.027 steps/s 2023-04-08 06:43:47,879 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 475800 95160 50.485 -36158 5533.2 -41691 -41691 7.2757 3.8356 0.94794 7.6488e+05 2023-04-08 06:43:49,867 INFO [main.py:643]
{rank 0/100} MD step = 475900 step time: 00:00:00.019344 Performance: 121.433 ns/day 0.198 hours/ns 7.027 steps/s 2023-04-08 06:44:08,982 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 475900 95180 51.693 -36091 5665.6 -41757 -41757 7.2765 3.8376 0.94781 7.6504e+05 2023-04-08 06:44:11,038 INFO [main.py:643]
{rank 0/100} MD step = 476000 step time: 00:00:00.017987 Performance: 121.420 ns/day 0.198 hours/ns 7.027 steps/s 2023-04-08 06:44:34,804 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 476000 95200 50.7 -36078 5556.8 -41634 -41634 7.2774 3.8384 0.94842 7.6525e+05 2023-04-08 06:44:36,902 INFO [main.py:643]
{rank 0/100} MD step = 476100 step time: 00:00:00.018037 Performance: 121.399 ns/day 0.198 hours/ns 7.025 steps/s 2023-04-08 06:44:41,207 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 476100 95220 49.322 -36247 5405.8 -41653 -41653 7.2782 3.8388 0.94913 7.6542e+05 2023-04-08 06:44:56,241 INFO [main.py:643]
{rank 0/100} MD step = 476200 step time: 00:00:00.017850 Performance: 121.390 ns/day 0.198 hours/ns 7.025 steps/s 2023-04-08 06:45:08,509 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 476200 95240 49.87 -36279 5465.8 -41745 -41745 7.2769 3.84 0.95113 7.6557e+05 2023-04-08 06:45:10,510 INFO [main.py:643]
{rank 0/100} MD step = 476300 step time: 00:00:00.017780 Performance: 121.390 ns/day 0.198 hours/ns 7.025 steps/s 2023-04-08 06:45:52,073 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 476300 95260 50.682 -36106 5554.8 -41661 -41661 7.2784 3.841 0.95114 7.6574e+05 2023-04-08 06:46:02,735 INFO [main.py:643]
{rank 0/100} MD step = 476400 step time: 00:00:00.018691 Performance: 121.322 ns/day 0.198 hours/ns 7.021 steps/s 2023-04-08 06:46:15,934 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 476400 95280 50.036 -36266 5484 -41750 -41750 7.2804 3.843 0.95219 7.6592e+05 2023-04-08 06:46:17,826 INFO [main.py:643]
{rank 0/100} MD step = 476500 step time: 00:00:00.018294 Performance: 121.321 ns/day 0.198 hours/ns 7.021 steps/s 2023-04-08 06:46:43,907 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 476500 95300 49.411 -36151 5415.5 -41566 -41566 7.2823 3.843 0.95285 7.661e+05 2023-04-08 06:46:45,784 INFO [main.py:643]
{rank 0/100} MD step = 476600 step time: 00:00:00.018411 Performance: 121.296 ns/day 0.198 hours/ns 7.019 steps/s 2023-04-08 06:47:16,086 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 476600 95320 50.138 -36234 5495.2 -41730 -41730 7.2835 3.8434 0.95366 7.6624e+05 2023-04-08 06:47:17,999 INFO [main.py:643]
{rank 0/100} MD step = 476700 step time: 00:00:00.019852 Performance: 121.264 ns/day 0.198 hours/ns 7.018 steps/s 2023-04-08 06:47:27,064 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 476700 95340 50.031 -36182 5483.5 -41666 -41666 7.283 3.8455 0.95352 7.6638e+05 2023-04-08 06:47:29,000 INFO [main.py:643]
{rank 0/100} MD step = 476800 step time: 00:00:00.017851 Performance: 121.270 ns/day 0.198 hours/ns 7.018 steps/s 2023-04-08 06:47:46,234 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 476800 95360 49.748 -36224 5452.4 -41676 -41676 7.2828 3.8467 0.95282 7.6655e+05 2023-04-08 06:47:48,051 INFO [main.py:643]
{rank 0/100} MD step = 476900 step time: 00:00:00.017960 Performance: 121.261 ns/day 0.198 hours/ns 7.017 steps/s 2023-04-08 06:47:49,875 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 476900 95380 50.503 -36105 5535.2 -41641 -41641 7.2826 3.8486 0.95477 7.667e+05 2023-04-08 06:47:51,952 INFO [main.py:643]
{rank 0/100} MD step = 477000 step time: 00:00:00.018112 Performance: 121.280 ns/day 0.198 hours/ns 7.019 steps/s 2023-04-08 06:48:01,234 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 477000 95400 49.8 -36261 5458.1 -41719 -41719 7.2833 3.8478 0.95552 7.6687e+05 2023-04-08 06:48:03,130 INFO [main.py:643]
{rank 0/100} MD step = 477100 step time: 00:00:00.018159 Performance: 121.285 ns/day 0.198 hours/ns 7.019 steps/s 2023-04-08 06:48:23,224 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 477100 95420 50.002 -36173 5480.3 -41653 -41653 7.2838 3.8486 0.95653 7.6703e+05 2023-04-08 06:48:25,243 INFO [main.py:643]
{rank 0/100} MD step = 477200 step time: 00:00:00.018224 Performance: 121.271 ns/day 0.198 hours/ns 7.018 steps/s 2023-04-08 06:48:41,845 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 477200 95440 49.46 -36305 5420.9 -41726 -41726 7.2851 3.8489 0.95542 7.6721e+05 2023-04-08 06:48:43,768 INFO [main.py:643]
{rank 0/100} MD step = 477300 step time: 00:00:00.018043 Performance: 121.264 ns/day 0.198 hours/ns 7.018 steps/s 2023-04-08 06:49:18,259 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 477300 95460 50.184 -36193 5500.2 -41693 -41693 7.2873 3.8506 0.95644 7.6736e+05 2023-04-08 06:49:20,570 INFO [main.py:643]
{rank 0/100} MD step = 477400 step time: 00:00:00.017955 Performance: 121.223 ns/day 0.198 hours/ns 7.015 steps/s 2023-04-08 06:49:29,430 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 477400 95480 49.991 -36232 5479 -41711 -41711 7.2892 3.8517 0.95632 7.6752e+05 2023-04-08 06:49:31,462 INFO [main.py:643]
{rank 0/100} MD step = 477500 step time: 00:00:00.017840 Performance: 121.229 ns/day 0.198 hours/ns 7.016 steps/s 2023-04-08 06:49:49,726 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 477500 95500 49.111 -36290 5382.6 -41672 -41672 7.2901 3.8535 0.95693 7.677e+05 2023-04-08 06:49:51,567 INFO [main.py:643]
{rank 0/100} MD step = 477600 step time: 00:00:00.018073 Performance: 121.219 ns/day 0.198 hours/ns 7.015 steps/s 2023-04-08 06:50:03,330 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 477600 95520 50.326 -36221 5515.8 -41737 -41737 7.293 3.8537 0.95503 7.6783e+05 2023-04-08 06:50:05,225 INFO [main.py:643]
{rank 0/100} MD step = 477700 step time: 00:00:00.018065 Performance: 121.220 ns/day 0.198 hours/ns 7.015 steps/s 2023-04-08 06:50:18,630 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 477700 95540 50.066 -36166 5487.3 -41653 -41653 7.2925 3.8552 0.95632 7.6803e+05 2023-04-08 06:50:20,436 INFO [main.py:643]
{rank 0/100} MD step = 477800 step time: 00:00:00.018071 Performance: 121.218 ns/day 0.198 hours/ns 7.015 steps/s 2023-04-08 06:50:46,807 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 477800 95560 50.467 -36084 5531.2 -41615 -41615 7.2923 3.855 0.95643 7.6819e+05 2023-04-08 06:50:48,707 INFO [main.py:643]
{rank 0/100} MD step = 477900 step time: 00:00:00.017995 Performance: 121.193 ns/day 0.198 hours/ns 7.014 steps/s 2023-04-08 06:51:21,715 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 477900 95580 49.789 -36243 5456.9 -41700 -41700 7.2919 3.8565 0.95642 7.6832e+05 2023-04-08 06:51:23,774 INFO [main.py:643]
{rank 0/100} MD step = 478000 step time: 00:00:00.018103 Performance: 121.156 ns/day 0.198 hours/ns 7.011 steps/s 2023-04-08 06:51:34,747 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 478000 95600 50.154 -36107 5496.9 -41604 -41604 7.2945 3.8572 0.95443 7.685e+05 2023-04-08 06:51:36,571 INFO [main.py:643]
{rank 0/100} MD step = 478100 step time: 00:00:00.018029 Performance: 121.159 ns/day 0.198 hours/ns 7.012 steps/s 2023-04-08 06:51:55,031 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 478100 95620 50.098 -36307 5490.8 -41797 -41797 7.2943 3.8584 0.9539 7.6862e+05 2023-04-08 06:52:01,295 INFO [main.py:643]
{rank 0/100} MD step = 478200 step time: 00:00:00.018049 Performance: 121.140 ns/day 0.198 hours/ns 7.010 steps/s 2023-04-08 06:52:18,780 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 478200 95640 50.618 -36177 5547.8 -41725 -41725 7.2939 3.8594 0.95326 7.6879e+05 2023-04-08 06:52:20,632 INFO [main.py:643]
{rank 0/100} MD step = 478300 step time: 00:00:00.017973 Performance: 121.131 ns/day 0.198 hours/ns 7.010 steps/s 2023-04-08 06:52:38,310 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 478300 95660 49.302 -36336 5403.5 -41740 -41740 7.2931 3.8602 0.95239 7.6897e+05 2023-04-08 06:52:40,685 INFO [main.py:643]
{rank 0/100} MD step = 478400 step time: 00:00:00.018039 Performance: 121.121 ns/day 0.198 hours/ns 7.009 steps/s 2023-04-08 06:52:57,586 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 478400 95680 50.031 -36193 5483.4 -41676 -41676 7.2937 3.8611 0.95331 7.6913e+05 2023-04-08 06:52:59,504 INFO [main.py:643]
{rank 0/100} MD step = 478500 step time: 00:00:00.018215 Performance: 121.113 ns/day 0.198 hours/ns 7.009 steps/s 2023-04-08 06:53:12,556 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 478500 95700 50.571 -36092 5542.7 -41635 -41635 7.2951 3.8619 0.95474 7.6929e+05 2023-04-08 06:53:14,449 INFO [main.py:643]
{rank 0/100} MD step = 478600 step time: 00:00:00.017899 Performance: 121.112 ns/day 0.198 hours/ns 7.009 steps/s 2023-04-08 06:53:27,739 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 478600 95720 50.331 -36068 5516.4 -41584 -41584 7.2935 3.8621 0.95482 7.6947e+05 2023-04-08 06:53:29,575 INFO [main.py:643]
{rank 0/100} MD step = 478700 step time: 00:00:00.017944 Performance: 121.110 ns/day 0.198 hours/ns 7.009 steps/s 2023-04-08 06:53:34,204 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 478700 95740 50.066 -36213 5487.2 -41700 -41700 7.2939 3.862 0.95537 7.6962e+05 2023-04-08 06:53:40,915 INFO [main.py:643]
{rank 0/100} MD step = 478800 step time: 00:00:00.018036 Performance: 121.115 ns/day 0.198 hours/ns 7.009 steps/s 2023-04-08 06:54:05,291 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 478800 95760 50.254 -36251 5507.9 -41758 -41758 7.2961 3.862 0.95483 7.6977e+05 2023-04-08 06:54:07,692 INFO [main.py:643]
{rank 0/100} MD step = 478900 step time: 00:00:00.017891 Performance: 121.093 ns/day 0.198 hours/ns 7.008 steps/s 2023-04-08 06:54:44,632 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 478900 95780 49.814 -36148 5459.7 -41608 -41608 7.2975 3.8632 0.95487 7.6995e+05 2023-04-08 06:54:46,517 INFO [main.py:643]
{rank 0/100} MD step = 479000 step time: 00:00:00.018059 Performance: 121.050 ns/day 0.198 hours/ns 7.005 steps/s 2023-04-08 06:55:32,189 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 479000 95800 49.935 -36260 5473 -41733 -41733 7.2972 3.8642 0.95511 7.7011e+05 2023-04-08 06:55:34,267 INFO [main.py:643]
{rank 0/100} MD step = 479100 step time: 00:00:00.018364 Performance: 120.991 ns/day 0.198 hours/ns 7.002 steps/s 2023-04-08 06:55:47,669 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 479100 95820 49.312 -36313 5404.7 -41718 -41718 7.2997 3.865 0.95588 7.7029e+05 2023-04-08 06:55:49,501 INFO [main.py:643]
{rank 0/100} MD step = 479200 step time: 00:00:00.018013 Performance: 120.989 ns/day 0.198 hours/ns 7.002 steps/s 2023-04-08 06:56:02,278 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 479200 95840 49.884 -36296 5467.4 -41763 -41763 7.3011 3.8652 0.95594 7.7046e+05 2023-04-08 06:56:08,927 INFO [main.py:643]
{rank 0/100} MD step = 479300 step time: 00:00:00.017958 Performance: 120.980 ns/day 0.198 hours/ns 7.001 steps/s 2023-04-08 06:56:30,070 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 479300 95860 49.25 -36150 5397.9 -41548 -41548 7.3023 3.8655 0.95593 7.7065e+05 2023-04-08 06:56:31,993 INFO [main.py:643]
{rank 0/100} MD step = 479400 step time: 00:00:00.018057 Performance: 120.964 ns/day 0.198 hours/ns 7.000 steps/s 2023-04-08 06:56:53,841 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 479400 95880 50.14 -36200 5495.4 -41696 -41696 7.3016 3.8665 0.95567 7.7078e+05 2023-04-08 06:56:55,734 INFO [main.py:643]
{rank 0/100} MD step = 479500 step time: 00:00:00.018057 Performance: 120.948 ns/day 0.198 hours/ns 6.999 steps/s 2023-04-08 06:57:08,843 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 479500 95900 49.981 -36146 5478 -41624 -41624 7.3014 3.8667 0.95469 7.7097e+05 2023-04-08 06:57:14,917 INFO [main.py:643]
{rank 0/100} MD step = 479600 step time: 00:00:00.017932 Performance: 120.939 ns/day 0.198 hours/ns 6.999 steps/s 2023-04-08 06:57:49,419 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 479600 95920 50.231 -36314 5505.4 -41819 -41819 7.3021 3.8672 0.95445 7.7109e+05 2023-04-08 06:57:51,312 INFO [main.py:643]
{rank 0/100} MD step = 479700 step time: 00:00:00.017950 Performance: 120.900 ns/day 0.199 hours/ns 6.997 steps/s 2023-04-08 06:58:04,622 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 479700 95940 49.376 -36319 5411.6 -41731 -41731 7.3029 3.8678 0.95463 7.7125e+05 2023-04-08 06:58:06,518 INFO [main.py:643]
{rank 0/100} MD step = 479800 step time: 00:00:00.018017 Performance: 120.898 ns/day 0.199 hours/ns 6.996 steps/s 2023-04-08 06:58:28,161 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 479800 95960 49.972 -36191 5477 -41668 -41668 7.3045 3.8698 0.95493 7.7143e+05 2023-04-08 06:58:30,008 INFO [main.py:643]
{rank 0/100} MD step = 479900 step time: 00:00:00.017903 Performance: 120.882 ns/day 0.199 hours/ns 6.995 steps/s 2023-04-08 06:58:56,047 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 479900 95980 50.298 -36207 5512.7 -41720 -41720 7.3064 3.8689 0.95506 7.7158e+05 2023-04-08 06:58:57,932 INFO [main.py:643]
{rank 0/100} MD step = 480000 step time: 00:00:00.018267 Performance: 120.858 ns/day 0.199 hours/ns 6.994 steps/s 2023-04-08 06:59:11,075 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 480000 96000 50.441 -36086 5528.3 -41614 -41614 7.307 3.8694 0.95519 7.7174e+05 2023-04-08 06:59:13,054 INFO [main.py:643]
{rank 0/100} MD step = 480100 step time: 00:00:00.018391 Performance: 120.857 ns/day 0.199 hours/ns 6.994 steps/s 2023-04-08 06:59:43,936 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 480100 96020 49.442 -36315 5418.9 -41733 -41733 7.3072 3.8712 0.95508 7.719e+05 2023-04-08 06:59:45,748 INFO [main.py:643]
{rank 0/100} MD step = 480200 step time: 00:00:00.018203 Performance: 120.824 ns/day 0.199 hours/ns 6.992 steps/s 2023-04-08 06:59:58,543 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 480200 96040 49.357 -36319 5409.6 -41729 -41729 7.307 3.8715 0.95483 7.7205e+05 2023-04-08 07:00:00,349 INFO [main.py:643]
{rank 0/100} MD step = 480300 step time: 00:00:00.017995 Performance: 120.824 ns/day 0.199 hours/ns 6.992 steps/s 2023-04-08 07:00:13,428 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 480300 96060 50.726 -36048 5559.6 -41607 -41607 7.3083 3.8718 0.95553 7.722e+05 2023-04-08 07:00:19,296 INFO [main.py:643]
{rank 0/100} MD step = 480400 step time: 00:00:00.018236 Performance: 120.816 ns/day 0.199 hours/ns 6.992 steps/s 2023-04-08 07:00:36,957 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 480400 96080 49.935 -36305 5472.9 -41778 -41778 7.3112 3.8728 0.95587 7.7233e+05 2023-04-08 07:00:38,806 INFO [main.py:643]
{rank 0/100} MD step = 480500 step time: 00:00:00.018244 Performance: 120.806 ns/day 0.199 hours/ns 6.991 steps/s 2023-04-08 07:01:03,389 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 480500 96100 49.274 -36339 5400.5 -41740 -41740 7.3125 3.8729 0.95578 7.7249e+05 2023-04-08 07:01:05,229 INFO [main.py:643]
{rank 0/100} MD step = 480600 step time: 00:00:00.017872 Performance: 120.785 ns/day 0.199 hours/ns 6.990 steps/s 2023-04-08 07:01:06,649 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 480600 96120 50.229 -36190 5505.1 -41695 -41695 7.3138 3.8757 0.95588 7.7266e+05 2023-04-08 07:01:08,534 INFO [main.py:643]
{rank 0/100} MD step = 480700 step time: 00:00:00.017952 Performance: 120.805 ns/day 0.199 hours/ns 6.991 steps/s 2023-04-08 07:01:17,553 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 480700 96140 50.607 -36102 5546.6 -41649 -41649 7.3139 3.8776 0.95783 7.7285e+05 2023-04-08 07:01:19,463 INFO [main.py:643]
{rank 0/100} MD step = 480800 step time: 00:00:00.018064 Performance: 120.810 ns/day 0.199 hours/ns 6.991 steps/s 2023-04-08 07:01:45,808 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 480800 96160 50.625 -36141 5548.6 -41689 -41689 7.315 3.8793 0.95967 7.73e+05 2023-04-08 07:01:51,657 INFO [main.py:643]
{rank 0/100} MD step = 480900 step time: 00:00:00.018418 Performance: 120.779 ns/day 0.199 hours/ns 6.990 steps/s 2023-04-08 07:02:02,773 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 480900 96180 49.668 -36374 5443.7 -41817 -41817 7.3159 3.8808 0.96047 7.7312e+05 2023-04-08 07:02:04,736 INFO [main.py:643]
{rank 0/100} MD step = 481000 step time: 00:00:00.018004 Performance: 120.781 ns/day 0.199 hours/ns 6.990 steps/s 2023-04-08 07:02:17,902 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 481000 96200 49.79 -36288 5457 -41745 -41745 7.3172 3.8807 0.96284 7.7329e+05 2023-04-08 07:02:19,852 INFO [main.py:643]
{rank 0/100} MD step = 481100 step time: 00:00:00.017946 Performance: 120.780 ns/day 0.199 hours/ns 6.990 steps/s 2023-04-08 07:02:32,924 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 481100 96220 49.428 -36274 5417.3 -41691 -41691 7.3184 3.8814 0.96353 7.7346e+05 2023-04-08 07:02:34,957 INFO [main.py:643]
{rank 0/100} MD step = 481200 step time: 00:00:00.017977 Performance: 120.778 ns/day 0.199 hours/ns 6.989 steps/s 2023-04-08 07:02:41,262 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 481200 96240 50.557 -36146 5541.1 -41687 -41687 7.3181 3.8825 0.96074 7.7363e+05 2023-04-08 07:02:43,230 INFO [main.py:643]
{rank 0/100} MD step = 481300 step time: 00:00:00.018149 Performance: 120.789 ns/day 0.199 hours/ns 6.990 steps/s 2023-04-08 07:03:07,178 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 481300 96260 49.503 -36310 5425.6 -41736 -41736 7.3178 3.882 0.9624 7.7377e+05 2023-04-08 07:03:09,014 INFO [main.py:643]
{rank 0/100} MD step = 481400 step time: 00:00:00.017884 Performance: 120.769 ns/day 0.199 hours/ns 6.989 steps/s 2023-04-08 07:03:31,908 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 481400 96280 49.62 -36287 5438.4 -41725 -41725 7.3188 3.8826 0.96315 7.7394e+05 2023-04-08 07:03:33,818 INFO [main.py:643]
{rank 0/100} MD step = 481500 step time: 00:00:00.018273 Performance: 120.750 ns/day 0.199 hours/ns 6.988 steps/s 2023-04-08 07:03:42,487 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 481500 96300 49.697 -36240 5446.8 -41687 -41687 7.3193 3.8843 0.96218 7.7408e+05 2023-04-08 07:03:44,287 INFO [main.py:643]
{rank 0/100} MD step = 481600 step time: 00:00:00.017933 Performance: 120.757 ns/day 0.199 hours/ns 6.988 steps/s 2023-04-08 07:04:09,455 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 481600 96320 50.005 -36226 5480.6 -41706 -41706 7.3192 3.8849 0.96337 7.7426e+05 2023-04-08 07:04:11,363 INFO [main.py:643]
{rank 0/100} MD step = 481700 step time: 00:00:00.017931 Performance: 120.735 ns/day 0.199 hours/ns 6.987 steps/s 2023-04-08 07:04:21,360 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 481700 96340 49.563 -36214 5432.1 -41646 -41646 7.3195 3.8852 0.96412 7.7445e+05 2023-04-08 07:04:23,281 INFO [main.py:643]
{rank 0/100} MD step = 481800 step time: 00:00:00.017955 Performance: 120.739 ns/day 0.199 hours/ns 6.987 steps/s 2023-04-08 07:04:35,780 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 481800 96360 49.81 -36223 5459.2 -41682 -41682 7.3212 3.8858 0.96237 7.7461e+05 2023-04-08 07:04:37,791 INFO [main.py:643]
{rank 0/100} MD step = 481900 step time: 00:00:00.017901 Performance: 120.739 ns/day 0.199 hours/ns 6.987 steps/s 2023-04-08 07:05:07,342 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 481900 96380 50.052 -36157 5485.8 -41643 -41643 7.3228 3.8865 0.96151 7.7479e+05 2023-04-08 07:05:09,231 INFO [main.py:643]
{rank 0/100} MD step = 482000 step time: 00:00:00.018132 Performance: 120.709 ns/day 0.199 hours/ns 6.985 steps/s 2023-04-08 07:05:12,630 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 482000 96400 49.329 -36348 5406.5 -41755 -41755 7.3252 3.8886 0.96197 7.7493e+05 2023-04-08 07:05:14,537 INFO [main.py:643]
{rank 0/100} MD step = 482100 step time: 00:00:00.018036 Performance: 120.724 ns/day 0.199 hours/ns 6.986 steps/s 2023-04-08 07:05:57,554 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 482100 96420 50.485 -36241 5533.3 -41774 -41774 7.327 3.8899 0.96299 7.7509e+05 2023-04-08 07:05:59,481 INFO [main.py:643]
{rank 0/100} MD step = 482200 step time: 00:00:00.017917 Performance: 120.671 ns/day 0.199 hours/ns 6.983 steps/s 2023-04-08 07:06:14,127 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 482200 96440 50.277 -36167 5510.5 -41677 -41677 7.3288 3.8906 0.96257 7.7527e+05 2023-04-08 07:06:16,139 INFO [main.py:643]
{rank 0/100} MD step = 482300 step time: 00:00:00.018090 Performance: 120.667 ns/day 0.199 hours/ns 6.983 steps/s 2023-04-08 07:06:21,007 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 482300 96460 49.666 -36168 5443.4 -41611 -41611 7.3299 3.8904 0.96371 7.7544e+05 2023-04-08 07:06:22,868 INFO [main.py:643]
{rank 0/100} MD step = 482400 step time: 00:00:00.018055 Performance: 120.680 ns/day 0.199 hours/ns 6.984 steps/s 2023-04-08 07:06:48,345 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 482400 96480 50.269 -36223 5509.5 -41733 -41733 7.3306 3.892 0.96495 7.7557e+05 2023-04-08 07:06:50,295 INFO [main.py:643]
{rank 0/100} MD step = 482500 step time: 00:00:00.018079 Performance: 120.657 ns/day 0.199 hours/ns 6.982 steps/s 2023-04-08 07:07:16,645 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 482500 96500 49.677 -36343 5444.7 -41788 -41788 7.3326 3.8927 0.9644 7.7571e+05 2023-04-08 07:07:18,615 INFO [main.py:643]
{rank 0/100} MD step = 482600 step time: 00:00:00.018097 Performance: 120.633 ns/day 0.199 hours/ns 6.981 steps/s 2023-04-08 07:07:33,474 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 482600 96520 49.172 -36217 5389.3 -41606 -41606 7.3345 3.8925 0.96546 7.759e+05 2023-04-08 07:07:35,469 INFO [main.py:643]
{rank 0/100} MD step = 482700 step time: 00:00:00.017910 Performance: 120.628 ns/day 0.199 hours/ns 6.981 steps/s 2023-04-08 07:07:46,754 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 482700 96540 49.657 -36350 5442.5 -41793 -41793 7.3351 3.8928 0.96605 7.7605e+05 2023-04-08 07:07:48,632 INFO [main.py:643]
{rank 0/100} MD step = 482800 step time: 00:00:00.018301 Performance: 120.630 ns/day 0.199 hours/ns 6.981 steps/s 2023-04-08 07:08:10,030 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 482800 96560 49.885 -36289 5467.5 -41757 -41757 7.3351 3.893 0.96605 7.7622e+05 2023-04-08 07:08:12,034 INFO [main.py:643]
{rank 0/100} MD step = 482900 step time: 00:00:00.018189 Performance: 120.615 ns/day 0.199 hours/ns 6.980 steps/s 2023-04-08 07:08:29,580 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 482900 96580 49.605 -36293 5436.8 -41729 -41729 7.3361 3.8948 0.9676 7.764e+05 2023-04-08 07:08:31,537 INFO [main.py:643]
{rank 0/100} MD step = 483000 step time: 00:00:00.018147 Performance: 120.605 ns/day 0.199 hours/ns 6.979 steps/s 2023-04-08 07:08:36,815 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 483000 96600 50.077 -36193 5488.5 -41682 -41682 7.3363 3.8964 0.96751 7.7658e+05 2023-04-08 07:08:38,707 INFO [main.py:643]
{rank 0/100} MD step = 483100 step time: 00:00:00.018346 Performance: 120.618 ns/day 0.199 hours/ns 6.980 steps/s 2023-04-08 07:08:55,393 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 483100 96620 49.782 -36310 5456.1 -41766 -41766 7.3383 3.8973 0.96973 7.7673e+05 2023-04-08 07:08:57,229 INFO [main.py:643]
{rank 0/100} MD step = 483200 step time: 00:00:00.018011 Performance: 120.611 ns/day 0.199 hours/ns 6.980 steps/s 2023-04-08 07:09:14,636 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 483200 96640 49.65 -36241 5441.7 -41682 -41682 7.3391 3.8985 0.97068 7.7692e+05 2023-04-08 07:09:16,452 INFO [main.py:643]
{rank 0/100} MD step = 483300 step time: 00:00:00.019064 Performance: 120.602 ns/day 0.199 hours/ns 6.979 steps/s 2023-04-08 07:09:38,331 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 483300 96660 49.391 -36326 5413.3 -41739 -41739 7.3396 3.9008 0.97248 7.771e+05 2023-04-08 07:09:40,273 INFO [main.py:643]
{rank 0/100} MD step = 483400 step time: 00:00:00.018121 Performance: 120.586 ns/day 0.199 hours/ns 6.978 steps/s 2023-04-08 07:09:48,961 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 483400 96680 49.948 -36165 5474.4 -41640 -41640 7.3418 3.901 0.9724 7.7726e+05 2023-04-08 07:09:50,798 INFO [main.py:643]
{rank 0/100} MD step = 483500 step time: 00:00:00.017908 Performance: 120.592 ns/day 0.199 hours/ns 6.979 steps/s 2023-04-08 07:09:55,503 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 483500 96700 50.074 -36203 5488.1 -41691 -41691 7.3418 3.9022 0.97201 7.7739e+05 2023-04-08 07:09:57,388 INFO [main.py:643]
{rank 0/100} MD step = 483600 step time: 00:00:00.018035 Performance: 120.606 ns/day 0.199 hours/ns 6.979 steps/s 2023-04-08 07:10:11,040 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 483600 96720 49.754 -36317 5453 -41770 -41770 7.3416 3.9025 0.9719 7.7754e+05 2023-04-08 07:10:12,909 INFO [main.py:643]
{rank 0/100} MD step = 483700 step time: 00:00:00.017886 Performance: 120.604 ns/day 0.199 hours/ns 6.979 steps/s 2023-04-08 07:10:14,053 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 483700 96740 50.204 -36220 5502.5 -41723 -41723 7.3425 3.9034 0.97219 7.7772e+05 2023-04-08 07:10:15,990 INFO [main.py:643]
{rank 0/100} MD step = 483800 step time: 00:00:00.018228 Performance: 120.623 ns/day 0.199 hours/ns 6.981 steps/s 2023-04-08 07:10:23,379 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 483800 96760 49.545 -36223 5430.2 -41653 -41653 7.3444 3.904 0.97272 7.7789e+05 2023-04-08 07:10:25,392 INFO [main.py:643]
{rank 0/100} MD step = 483900 step time: 00:00:00.018105 Performance: 120.632 ns/day 0.199 hours/ns 6.981 steps/s 2023-04-08 07:10:30,040 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 483900 96780 49.207 -36367 5393.1 -41760 -41760 7.3439 3.9059 0.97198 7.7805e+05 2023-04-08 07:10:31,904 INFO [main.py:643]
{rank 0/100} MD step = 484000 step time: 00:00:00.018029 Performance: 120.645 ns/day 0.199 hours/ns 6.982 steps/s 2023-04-08 07:10:33,627 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 484000 96800 50.052 -36234 5485.7 -41719 -41719 7.345 3.9049 0.9725 7.7819e+05 2023-04-08 07:10:35,513 INFO [main.py:643]
{rank 0/100} MD step = 484100 step time: 00:00:00.018180 Performance: 120.664 ns/day 0.199 hours/ns 6.983 steps/s 2023-04-08 07:10:36,651 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 484100 96820 49.876 -36232 5466.5 -41698 -41698 7.3443 3.906 0.97219 7.7836e+05 2023-04-08 07:10:38,573 INFO [main.py:643]
{rank 0/100} MD step = 484200 step time: 00:00:00.018064 Performance: 120.684 ns/day 0.199 hours/ns 6.984 steps/s 2023-04-08 07:10:47,475 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 484200 96840 49.021 -36365 5372.7 -41738 -41738 7.3461 3.9065 0.97212 7.7846e+05 2023-04-08 07:10:49,396 INFO [main.py:643]
{rank 0/100} MD step = 484300 step time: 00:00:00.017995 Performance: 120.690 ns/day 0.199 hours/ns 6.984 steps/s 2023-04-08 07:10:50,720 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 484300 96860 50.356 -36229 5519.1 -41748 -41748 7.3479 3.9094 0.97328 7.7862e+05 2023-04-08 07:10:52,575 INFO [main.py:643]
{rank 0/100} MD step = 484400 step time: 00:00:00.018016 Performance: 120.709 ns/day 0.199 hours/ns 6.985 steps/s 2023-04-08 07:11:02,513 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 484400 96880 50.189 -36236 5500.8 -41737 -41737 7.3494 3.9111 0.97518 7.788e+05 2023-04-08 07:11:04,434 INFO [main.py:643]
{rank 0/100} MD step = 484500 step time: 00:00:00.017963 Performance: 120.713 ns/day 0.199 hours/ns 6.986 steps/s 2023-04-08 07:11:11,509 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 484500 96900 49.667 -36183 5443.6 -41627 -41627 7.3508 3.9125 0.97516 7.7899e+05 2023-04-08 07:11:13,539 INFO [main.py:643]
{rank 0/100} MD step = 484600 step time: 00:00:00.017996 Performance: 120.722 ns/day 0.199 hours/ns 6.986 steps/s 2023-04-08 07:11:29,757 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 484600 96920 50.383 -36270 5522.1 -41792 -41792 7.3501 3.9139 0.97589 7.7911e+05 2023-04-08 07:11:31,612 INFO [main.py:643]
{rank 0/100} MD step = 484700 step time: 00:00:00.017936 Performance: 120.716 ns/day 0.199 hours/ns 6.986 steps/s 2023-04-08 07:11:32,888 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 484700 96940 50.161 -36115 5497.7 -41613 -41613 7.3498 3.9135 0.976 7.7932e+05 2023-04-08 07:11:34,835 INFO [main.py:643]
{rank 0/100} MD step = 484800 step time: 00:00:00.017905 Performance: 120.735 ns/day 0.199 hours/ns 6.987 steps/s 2023-04-08 07:11:36,098 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 484800 96960 50.674 -36140 5553.9 -41694 -41694 7.3525 3.9146 0.97664 7.7948e+05 2023-04-08 07:11:38,014 INFO [main.py:643]
{rank 0/100} MD step = 484900 step time: 00:00:00.018037 Performance: 120.755 ns/day 0.199 hours/ns 6.988 steps/s 2023-04-08 07:11:43,713 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 484900 96980 50.443 -36210 5528.6 -41738 -41738 7.3531 3.9156 0.97581 7.7962e+05 2023-04-08 07:11:45,590 INFO [main.py:643]
{rank 0/100} MD step = 485000 step time: 00:00:00.018641 Performance: 120.766 ns/day 0.199 hours/ns 6.989 steps/s 2023-04-08 07:11:49,142 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 485000 97000 50.032 -36283 5483.6 -41766 -41766 7.3559 3.9188 0.97651 7.798e+05 2023-04-08 07:11:51,066 INFO [main.py:643]
{rank 0/100} MD step = 485100 step time: 00:00:00.018129 Performance: 120.782 ns/day 0.199 hours/ns 6.990 steps/s 2023-04-08 07:11:56,092 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 485100 97020 50.387 -36262 5522.4 -41784 -41784 7.3547 3.92 0.97788 7.7998e+05 2023-04-08 07:11:57,922 INFO [main.py:643]
{rank 0/100} MD step = 485200 step time: 00:00:00.019581 Performance: 120.795 ns/day 0.199 hours/ns 6.990 steps/s 2023-04-08 07:12:03,075 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 485200 97040 49.892 -36072 5468.3 -41540 -41540 7.3513 3.9199 0.9775 7.8019e+05 2023-04-08 07:12:04,993 INFO [main.py:643]
{rank 0/100} MD step = 485300 step time: 00:00:00.018090 Performance: 120.807 ns/day 0.199 hours/ns 6.991 steps/s 2023-04-08 07:12:08,379 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 485300 97060 49.831 -36234 5461.5 -41696 -41696 7.3519 3.9223 0.97781 7.8032e+05 2023-04-08 07:12:10,436 INFO [main.py:643]
{rank 0/100} MD step = 485400 step time: 00:00:00.018258 Performance: 120.823 ns/day 0.199 hours/ns 6.992 steps/s 2023-04-08 07:12:23,687 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 485400 97080 49.982 -36244 5478.1 -41722 -41722 7.352 3.9239 0.97773 7.8049e+05 2023-04-08 07:12:25,562 INFO [main.py:643]
{rank 0/100} MD step = 485500 step time: 00:00:00.018088 Performance: 120.821 ns/day 0.199 hours/ns 6.992 steps/s 2023-04-08 07:12:26,840 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 485500 97100 50.09 -36227 5489.9 -41717 -41717 7.352 3.9247 0.97749 7.8064e+05 2023-04-08 07:12:28,711 INFO [main.py:643]
{rank 0/100} MD step = 485600 step time: 00:00:00.018028 Performance: 120.841 ns/day 0.199 hours/ns 6.993 steps/s 2023-04-08 07:12:32,742 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 485600 97120 50.671 -36185 5553.6 -41739 -41739 7.3534 3.9238 0.97811 7.8081e+05 2023-04-08 07:12:34,619 INFO [main.py:643]
{rank 0/100} MD step = 485700 step time: 00:00:00.017906 Performance: 120.855 ns/day 0.199 hours/ns 6.994 steps/s 2023-04-08 07:12:35,893 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 485700 97140 50.307 -36162 5513.7 -41676 -41676 7.3534 3.9241 0.97935 7.8096e+05 2023-04-08 07:12:37,819 INFO [main.py:643]
{rank 0/100} MD step = 485800 step time: 00:00:00.018075 Performance: 120.874 ns/day 0.199 hours/ns 6.995 steps/s 2023-04-08 07:12:49,374 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 485800 97160 49.473 -36304 5422.3 -41726 -41726 7.354 3.9249 0.97842 7.8109e+05 2023-04-08 07:12:51,248 INFO [main.py:643]
{rank 0/100} MD step = 485900 step time: 00:00:00.017988 Performance: 120.876 ns/day 0.199 hours/ns 6.995 steps/s 2023-04-08 07:13:02,040 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 485900 97180 50.362 -36079 5519.7 -41598 -41598 7.3555 3.9266 0.97796 7.8127e+05 2023-04-08 07:13:03,889 INFO [main.py:643]
{rank 0/100} MD step = 486000 step time: 00:00:00.017921 Performance: 120.879 ns/day 0.199 hours/ns 6.995 steps/s 2023-04-08 07:13:08,983 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 486000 97200 50.061 -36206 5486.8 -41692 -41692 7.359 3.9255 0.97881 7.8143e+05 2023-04-08 07:13:10,834 INFO [main.py:643]
{rank 0/100} MD step = 486100 step time: 00:00:00.018297 Performance: 120.892 ns/day 0.199 hours/ns 6.996 steps/s 2023-04-08 07:13:15,764 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 486100 97220 49.941 -36224 5473.5 -41698 -41698 7.3609 3.9256 0.97983 7.816e+05 2023-04-08 07:13:17,695 INFO [main.py:643]
{rank 0/100} MD step = 486200 step time: 00:00:00.018089 Performance: 120.905 ns/day 0.199 hours/ns 6.997 steps/s 2023-04-08 07:13:18,764 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 486200 97240 49.614 -36285 5437.7 -41723 -41723 7.3626 3.9254 0.98023 7.8174e+05 2023-04-08 07:13:20,709 INFO [main.py:643]
{rank 0/100} MD step = 486300 step time: 00:00:00.018011 Performance: 120.924 ns/day 0.198 hours/ns 6.998 steps/s 2023-04-08 07:13:30,233 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 486300 97260 49.794 -36146 5457.5 -41604 -41604 7.3648 3.9266 0.98281 7.8191e+05 2023-04-08 07:13:32,042 INFO [main.py:643]
{rank 0/100} MD step = 486400 step time: 00:00:00.017990 Performance: 120.929 ns/day 0.198 hours/ns 6.998 steps/s 2023-04-08 07:13:41,540 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 486400 97280 50.122 -36137 5493.5 -41630 -41630 7.3653 3.9286 0.98268 7.8207e+05 2023-04-08 07:13:43,391 INFO [main.py:643]
{rank 0/100} MD step = 486500 step time: 00:00:00.018204 Performance: 120.934 ns/day 0.198 hours/ns 6.999 steps/s 2023-04-08 07:13:44,667 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 486500 97300 50.215 -36136 5503.6 -41640 -41640 7.3677 3.9304 0.98354 7.8224e+05 2023-04-08 07:13:46,594 INFO [main.py:643]
{rank 0/100} MD step = 486600 step time: 00:00:00.018092 Performance: 120.954 ns/day 0.198 hours/ns 7.000 steps/s 2023-04-08 07:14:02,105 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 486600 97320 49.847 -36308 5463.3 -41771 -41771 7.3686 3.9316 0.98248 7.8236e+05 2023-04-08 07:14:03,983 INFO [main.py:643]
{rank 0/100} MD step = 486700 step time: 00:00:00.017955 Performance: 120.948 ns/day 0.198 hours/ns 6.999 steps/s 2023-04-08 07:14:09,200 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 486700 97340 50.052 -36261 5485.8 -41747 -41747 7.3713 3.9329 0.98299 7.8252e+05 2023-04-08 07:14:11,148 INFO [main.py:643]
{rank 0/100} MD step = 486800 step time: 00:00:00.017838 Performance: 120.961 ns/day 0.198 hours/ns 7.000 steps/s 2023-04-08 07:14:29,827 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 486800 97360 50.228 -36213 5505 -41718 -41718 7.3735 3.9334 0.98535 7.8269e+05 2023-04-08 07:14:31,646 INFO [main.py:643]
{rank 0/100} MD step = 486900 step time: 00:00:00.018059 Performance: 120.950 ns/day 0.198 hours/ns 6.999 steps/s 2023-04-08 07:14:46,035 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 486900 97380 49.713 -36190 5448.6 -41638 -41638 7.3743 3.9357 0.98594 7.8286e+05 2023-04-08 07:14:48,035 INFO [main.py:643]
{rank 0/100} MD step = 487000 step time: 00:00:00.018049 Performance: 120.946 ns/day 0.198 hours/ns 6.999 steps/s 2023-04-08 07:15:04,514 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 487000 97400 50.377 -36180 5521.3 -41702 -41702 7.3771 3.9371 0.98493 7.83e+05 2023-04-08 07:15:06,328 INFO [main.py:643]
{rank 0/100} MD step = 487100 step time: 00:00:00.017926 Performance: 120.939 ns/day 0.198 hours/ns 6.999 steps/s 2023-04-08 07:15:11,054 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 487100 97420 49.091 -36321 5380.4 -41702 -41702 7.3769 3.937 0.98731 7.8317e+05 2023-04-08 07:15:12,904 INFO [main.py:643]
{rank 0/100} MD step = 487200 step time: 00:00:00.017849 Performance: 120.953 ns/day 0.198 hours/ns 7.000 steps/s 2023-04-08 07:15:17,384 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 487200 97440 49.666 -36244 5443.4 -41688 -41688 7.377 3.9381 0.98781 7.8334e+05 2023-04-08 07:15:19,295 INFO [main.py:643]
{rank 0/100} MD step = 487300 step time: 00:00:00.018091 Performance: 120.966 ns/day 0.198 hours/ns 7.000 steps/s 2023-04-08 07:15:32,994 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 487300 97460 50.224 -36241 5504.6 -41746 -41746 7.3776 3.9396 0.98634 7.8349e+05 2023-04-08 07:15:34,875 INFO [main.py:643]
{rank 0/100} MD step = 487400 step time: 00:00:00.017756 Performance: 120.964 ns/day 0.198 hours/ns 7.000 steps/s 2023-04-08 07:15:47,364 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 487400 97480 49.792 -36126 5457.3 -41583 -41583 7.3809 3.9409 0.98697 7.8365e+05 2023-04-08 07:15:49,579 INFO [main.py:643]
{rank 0/100} MD step = 487500 step time: 00:00:00.018101 Performance: 120.963 ns/day 0.198 hours/ns 7.000 steps/s 2023-04-08 07:15:54,436 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 487500 97500 49.49 -36300 5424.1 -41724 -41724 7.3827 3.9416 0.98834 7.838e+05 2023-04-08 07:15:56,767 INFO [main.py:643]
{rank 0/100} MD step = 487600 step time: 00:00:00.017879 Performance: 120.976 ns/day 0.198 hours/ns 7.001 steps/s 2023-04-08 07:16:13,614 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 487600 97520 49.845 -36284 5463.1 -41747 -41747 7.3829 3.9418 0.9891 7.8395e+05 2023-04-08 07:16:15,750 INFO [main.py:643]
{rank 0/100} MD step = 487700 step time: 00:00:00.018018 Performance: 120.968 ns/day 0.198 hours/ns 7.000 steps/s 2023-04-08 07:16:23,980 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 487700 97540 49.124 -36271 5384 -41655 -41655 7.3838 3.9428 0.99006 7.8413e+05 2023-04-08 07:16:30,165 INFO [main.py:643]
{rank 0/100} MD step = 487800 step time: 00:00:00.018042 Performance: 120.967 ns/day 0.198 hours/ns 7.000 steps/s 2023-04-08 07:16:43,567 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 487800 97560 50.543 -36168 5539.5 -41707 -41707 7.3851 3.9439 0.98971 7.8429e+05 2023-04-08 07:16:45,588 INFO [main.py:643]
{rank 0/100} MD step = 487900 step time: 00:00:00.018110 Performance: 120.965 ns/day 0.198 hours/ns 7.000 steps/s 2023-04-08 07:16:54,243 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 487900 97580 50.296 -36219 5512.5 -41731 -41731 7.3863 3.9456 0.99139 7.8446e+05 2023-04-08 07:16:56,187 INFO [main.py:643]
{rank 0/100} MD step = 488000 step time: 00:00:00.017885 Performance: 120.972 ns/day 0.198 hours/ns 7.001 steps/s 2023-04-08 07:17:05,277 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 488000 97600 49.796 -36177 5457.7 -41634 -41634 7.3876 3.9465 0.99241 7.8466e+05 2023-04-08 07:17:07,139 INFO [main.py:643]
{rank 0/100} MD step = 488100 step time: 00:00:00.017835 Performance: 120.978 ns/day 0.198 hours/ns 7.001 steps/s 2023-04-08 07:17:19,699 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 488100 97620 49.222 -36359 5394.8 -41753 -41753 7.3903 3.9473 0.9921 7.8478e+05 2023-04-08 07:17:21,757 INFO [main.py:643]
{rank 0/100} MD step = 488200 step time: 00:00:00.018117 Performance: 120.977 ns/day 0.198 hours/ns 7.001 steps/s 2023-04-08 07:17:35,380 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 488200 97640 49.826 -36130 5461 -41591 -41591 7.3916 3.9471 0.99302 7.8499e+05 2023-04-08 07:17:37,590 INFO [main.py:643]
{rank 0/100} MD step = 488300 step time: 00:00:00.018199 Performance: 120.974 ns/day 0.198 hours/ns 7.001 steps/s 2023-04-08 07:18:02,810 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 488300 97660 50.313 -36119 5514.3 -41633 -41633 7.3935 3.9469 0.99295 7.8515e+05 2023-04-08 07:18:04,789 INFO [main.py:643]
{rank 0/100} MD step = 488400 step time: 00:00:00.018184 Performance: 120.952 ns/day 0.198 hours/ns 7.000 steps/s 2023-04-08 07:18:26,600 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 488400 97680 49.745 -36296 5452.1 -41748 -41748 7.3942 3.9473 0.99238 7.8534e+05 2023-04-08 07:18:28,637 INFO [main.py:643]
{rank 0/100} MD step = 488500 step time: 00:00:00.017986 Performance: 120.935 ns/day 0.198 hours/ns 6.999 steps/s 2023-04-08 07:18:50,150 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 488500 97700 50.347 -36103 5518.1 -41621 -41621 7.3985 3.9486 0.9927 7.855e+05 2023-04-08 07:18:52,064 INFO [main.py:643]
{rank 0/100} MD step = 488600 step time: 00:00:00.018299 Performance: 120.920 ns/day 0.198 hours/ns 6.998 steps/s 2023-04-08 07:19:05,743 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 488600 97720 50.12 -36204 5493.2 -41697 -41697 7.3994 3.9492 0.99531 7.8565e+05 2023-04-08 07:19:07,544 INFO [main.py:643]
{rank 0/100} MD step = 488700 step time: 00:00:00.017854 Performance: 120.917 ns/day 0.198 hours/ns 6.998 steps/s 2023-04-08 07:19:20,274 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 488700 97740 50.676 -36162 5554.1 -41716 -41716 7.4005 3.9492 0.99504 7.8581e+05 2023-04-08 07:19:22,313 INFO [main.py:643]
{rank 0/100} MD step = 488800 step time: 00:00:00.018078 Performance: 120.917 ns/day 0.198 hours/ns 6.997 steps/s 2023-04-08 07:19:30,985 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 488800 97760 50.601 -36258 5545.9 -41804 -41804 7.4009 3.9506 0.99605 7.8596e+05 2023-04-08 07:19:32,827 INFO [main.py:643]
{rank 0/100} MD step = 488900 step time: 00:00:00.017801 Performance: 120.923 ns/day 0.198 hours/ns 6.998 steps/s 2023-04-08 07:19:45,960 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 488900 97780 49.41 -36347 5415.4 -41762 -41762 7.4026 3.9512 0.99691 7.8615e+05 2023-04-08 07:19:47,803 INFO [main.py:643]
{rank 0/100} MD step = 489000 step time: 00:00:00.018294 Performance: 120.922 ns/day 0.198 hours/ns 6.998 steps/s 2023-04-08 07:20:05,575 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 489000 97800 49.212 -36224 5393.7 -41618 -41618 7.402 3.9521 0.99701 7.8633e+05 2023-04-08 07:20:07,401 INFO [main.py:643]
{rank 0/100} MD step = 489100 step time: 00:00:00.018060 Performance: 120.913 ns/day 0.198 hours/ns 6.997 steps/s 2023-04-08 07:20:20,595 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 489100 97820 50.908 -36175 5579.6 -41755 -41755 7.4054 3.9538 0.99743 7.8648e+05 2023-04-08 07:20:22,472 INFO [main.py:643]
{rank 0/100} MD step = 489200 step time: 00:00:00.018074 Performance: 120.911 ns/day 0.198 hours/ns 6.997 steps/s 2023-04-08 07:20:31,772 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 489200 97840 50.498 -36227 5534.6 -41762 -41762 7.4077 3.956 0.99817 7.8662e+05 2023-04-08 07:20:33,607 INFO [main.py:643]
{rank 0/100} MD step = 489300 step time: 00:00:00.017873 Performance: 120.917 ns/day 0.198 hours/ns 6.998 steps/s 2023-04-08 07:20:46,056 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 489300 97860 50.442 -36196 5528.5 -41725 -41725 7.4097 3.9556 0.99735 7.868e+05 2023-04-08 07:20:48,144 INFO [main.py:643]
{rank 0/100} MD step = 489400 step time: 00:00:00.017971 Performance: 120.917 ns/day 0.198 hours/ns 6.997 steps/s 2023-04-08 07:20:52,496 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 489400 97880 49.83 -36294 5461.4 -41755 -41755 7.4136 3.9573 0.99808 7.87e+05 2023-04-08 07:20:54,343 INFO [main.py:643]
{rank 0/100} MD step = 489500 step time: 00:00:00.018239 Performance: 120.931 ns/day 0.198 hours/ns 6.998 steps/s 2023-04-08 07:21:11,988 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 489500 97900 50.645 -36080 5550.7 -41630 -41630 7.4166 3.9571 0.99875 7.8719e+05 2023-04-08 07:21:14,920 INFO [main.py:643]
{rank 0/100} MD step = 489600 step time: 00:00:00.017997 Performance: 120.920 ns/day 0.198 hours/ns 6.998 steps/s 2023-04-08 07:21:26,688 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 489600 97920 49.986 -36061 5478.5 -41540 -41540 7.4166 3.9583 0.99769 7.8737e+05 2023-04-08 07:21:28,542 INFO [main.py:643]
{rank 0/100} MD step = 489700 step time: 00:00:00.017975 Performance: 120.921 ns/day 0.198 hours/ns 6.998 steps/s 2023-04-08 07:21:38,380 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 489700 97940 49.841 -36267 5462.6 -41730 -41730 7.4183 3.9571 0.99937 7.8749e+05 2023-04-08 07:21:40,348 INFO [main.py:643]
{rank 0/100} MD step = 489800 step time: 00:00:00.018094 Performance: 120.925 ns/day 0.198 hours/ns 6.998 steps/s 2023-04-08 07:21:48,189 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 489800 97960 49.808 -36300 5459 -41759 -41759 7.4206 3.9592 1 7.8764e+05 2023-04-08 07:21:50,467 INFO [main.py:643]
{rank 0/100} MD step = 489900 step time: 00:00:00.018019 Performance: 120.932 ns/day 0.198 hours/ns 6.998 steps/s 2023-04-08 07:22:12,658 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 489900 97980 49.292 -36318 5402.5 -41720 -41720 7.4184 3.9601 1.0006 7.8782e+05 2023-04-08 07:22:14,619 INFO [main.py:643]
{rank 0/100} MD step = 490000 step time: 00:00:00.017999 Performance: 120.915 ns/day 0.198 hours/ns 6.997 steps/s 2023-04-08 07:22:35,497 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 490000 98000 50.271 -36097 5509.8 -41606 -41606 7.4207 3.9596 1.0004 7.88e+05 2023-04-08 07:22:37,302 INFO [main.py:643]
{rank 0/100} MD step = 490100 step time: 00:00:00.018015 Performance: 120.901 ns/day 0.199 hours/ns 6.997 steps/s 2023-04-08 07:22:50,384 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 490100 98020 50.951 -36114 5584.3 -41698 -41698 7.4226 3.9603 1.0001 7.8816e+05 2023-04-08 07:23:01,121 INFO [main.py:643]
{rank 0/100} MD step = 490200 step time: 00:00:00.017986 Performance: 120.884 ns/day 0.199 hours/ns 6.996 steps/s 2023-04-08 07:23:44,200 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 490200 98040 49.486 -36261 5423.7 -41685 -41685 7.4258 3.9603 1.0006 7.8832e+05 2023-04-08 07:23:46,001 INFO [main.py:643]
{rank 0/100} MD step = 490300 step time: 00:00:00.018146 Performance: 120.832 ns/day 0.199 hours/ns 6.993 steps/s 2023-04-08 07:24:18,927 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 490300 98060 49.535 -36265 5429.1 -41694 -41694 7.4292 3.9592 1.0017 7.8847e+05 2023-04-08 07:24:20,759 INFO [main.py:643]
{rank 0/100} MD step = 490400 step time: 00:00:00.017911 Performance: 120.796 ns/day 0.199 hours/ns 6.991 steps/s 2023-04-08 07:24:50,729 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 490400 98080 49.921 -36218 5471.4 -41689 -41689 7.43 3.9599 1.0008 7.8863e+05 2023-04-08 07:24:52,603 INFO [main.py:643]
{rank 0/100} MD step = 490500 step time: 00:00:00.018000 Performance: 120.766 ns/day 0.199 hours/ns 6.989 steps/s 2023-04-08 07:25:14,572 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 490500 98100 48.893 -36328 5358.7 -41687 -41687 7.4305 3.9608 1.0004 7.8881e+05 2023-04-08 07:25:16,570 INFO [main.py:643]
{rank 0/100} MD step = 490600 step time: 00:00:00.018879 Performance: 120.750 ns/day 0.199 hours/ns 6.988 steps/s 2023-04-08 07:25:29,587 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 490600 98120 49.676 -36247 5444.6 -41691 -41691 7.433 3.9614 1.003 7.8898e+05 2023-04-08 07:25:31,453 INFO [main.py:643]
{rank 0/100} MD step = 490700 step time: 00:00:00.018117 Performance: 120.749 ns/day 0.199 hours/ns 6.988 steps/s 2023-04-08 07:25:44,927 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 490700 98140 50.659 -36175 5552.3 -41727 -41727 7.4336 3.9612 1.0026 7.8913e+05 2023-04-08 07:25:50,488 INFO [main.py:643]
{rank 0/100} MD step = 490800 step time: 00:00:00.018065 Performance: 120.740 ns/day 0.199 hours/ns 6.987 steps/s 2023-04-08 07:26:12,529 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 490800 98160 49.446 -36224 5419.3 -41643 -41643 7.4357 3.9631 1.0026 7.8929e+05 2023-04-08 07:26:18,678 INFO [main.py:643]
{rank 0/100} MD step = 490900 step time: 00:00:00.018061 Performance: 120.717 ns/day 0.199 hours/ns 6.986 steps/s 2023-04-08 07:26:49,199 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 490900 98180 50.381 -36310 5521.8 -41831 -41831 7.4363 3.962 1.0024 7.8943e+05 2023-04-08 07:26:55,047 INFO [main.py:643]
{rank 0/100} MD step = 491000 step time: 00:00:00.017969 Performance: 120.679 ns/day 0.199 hours/ns 6.984 steps/s 2023-04-08 07:27:08,447 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 491000 98200 49.545 -36398 5430.2 -41828 -41828 7.439 3.9638 1.0028 7.8959e+05 2023-04-08 07:27:10,354 INFO [main.py:643]
{rank 0/100} MD step = 491100 step time: 00:00:00.018071 Performance: 120.677 ns/day 0.199 hours/ns 6.984 steps/s 2023-04-08 07:27:36,718 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 491100 98220 50.095 -36196 5490.4 -41687 -41687 7.4421 3.9626 1.0023 7.8977e+05 2023-04-08 07:27:38,579 INFO [main.py:643]
{rank 0/100} MD step = 491200 step time: 00:00:00.018284 Performance: 120.653 ns/day 0.199 hours/ns 6.982 steps/s 2023-04-08 07:27:57,707 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 491200 98240 50.875 -36092 5576 -41668 -41668 7.4447 3.9634 1.0021 7.8992e+05 2023-04-08 07:27:59,538 INFO [main.py:643]
{rank 0/100} MD step = 491300 step time: 00:00:00.018120 Performance: 120.642 ns/day 0.199 hours/ns 6.982 steps/s 2023-04-08 07:28:25,501 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 491300 98260 49.346 -36218 5408.4 -41627 -41627 7.4455 3.9649 1.0023 7.9007e+05 2023-04-08 07:28:28,238 INFO [main.py:643]
{rank 0/100} MD step = 491400 step time: 00:00:00.018020 Performance: 120.617 ns/day 0.199 hours/ns 6.980 steps/s 2023-04-08 07:28:33,449 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 491400 98280 50.318 -36186 5514.9 -41701 -41701 7.4475 3.9661 1.002 7.9025e+05 2023-04-08 07:28:35,392 INFO [main.py:643]
{rank 0/100} MD step = 491500 step time: 00:00:00.018514 Performance: 120.629 ns/day 0.199 hours/ns 6.981 steps/s 2023-04-08 07:28:55,638 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 491500 98300 49.966 -36259 5476.4 -41735 -41735 7.4493 3.9691 1.0041 7.904e+05 2023-04-08 07:28:57,484 INFO [main.py:643]
{rank 0/100} MD step = 491600 step time: 00:00:00.017978 Performance: 120.616 ns/day 0.199 hours/ns 6.980 steps/s 2023-04-08 07:29:10,634 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 491600 98320 49.684 -36226 5445.4 -41671 -41671 7.4508 3.9717 1.0049 7.9056e+05 2023-04-08 07:29:16,582 INFO [main.py:643]
{rank 0/100} MD step = 491700 step time: 00:00:00.018002 Performance: 120.608 ns/day 0.199 hours/ns 6.980 steps/s 2023-04-08 07:29:36,580 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 491700 98340 49.752 -36222 5452.9 -41675 -41675 7.4547 3.9713 1.005 7.9072e+05 2023-04-08 07:29:38,436 INFO [main.py:643]
{rank 0/100} MD step = 491800 step time: 00:00:00.018241 Performance: 120.595 ns/day 0.199 hours/ns 6.979 steps/s 2023-04-08 07:29:43,151 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 491800 98360 50.708 -36247 5557.7 -41805 -41805 7.4572 3.9743 1.005 7.9087e+05 2023-04-08 07:29:45,224 INFO [main.py:643]
{rank 0/100} MD step = 491900 step time: 00:00:00.018134 Performance: 120.608 ns/day 0.199 hours/ns 6.980 steps/s 2023-04-08 07:30:10,763 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 491900 98380 50.514 -36184 5536.4 -41721 -41721 7.4608 3.975 1.0052 7.9104e+05 2023-04-08 07:30:16,820 INFO [main.py:643]
{rank 0/100} MD step = 492000 step time: 00:00:00.017962 Performance: 120.578 ns/day 0.199 hours/ns 6.978 steps/s 2023-04-08 07:30:26,154 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 492000 98400 50.57 -36059 5542.5 -41601 -41601 7.4644 3.975 1.0049 7.912e+05 2023-04-08 07:30:28,118 INFO [main.py:643]
{rank 0/100} MD step = 492100 step time: 00:00:00.017954 Performance: 120.584 ns/day 0.199 hours/ns 6.978 steps/s 2023-04-08 07:30:49,676 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 492100 98420 49.871 -36229 5465.9 -41695 -41695 7.4672 3.9749 1.0053 7.9135e+05 2023-04-08 07:30:51,573 INFO [main.py:643]
{rank 0/100} MD step = 492200 step time: 00:00:00.018748 Performance: 120.568 ns/day 0.199 hours/ns 6.977 steps/s 2023-04-08 07:31:04,816 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 492200 98440 49.709 -36212 5448.2 -41660 -41660 7.4694 3.9763 1.0048 7.9153e+05 2023-04-08 07:31:10,428 INFO [main.py:643]
{rank 0/100} MD step = 492300 step time: 00:00:00.018076 Performance: 120.560 ns/day 0.199 hours/ns 6.977 steps/s 2023-04-08 07:31:26,607 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 492300 98460 49.823 -36228 5460.6 -41689 -41689 7.4729 3.9777 1.0054 7.917e+05 2023-04-08 07:31:28,681 INFO [main.py:643]
{rank 0/100} MD step = 492400 step time: 00:00:00.018065 Performance: 120.554 ns/day 0.199 hours/ns 6.976 steps/s 2023-04-08 07:31:45,488 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 492400 98480 49.746 -36278 5452.2 -41730 -41730 7.4735 3.9789 1.005 7.9183e+05 2023-04-08 07:31:47,384 INFO [main.py:643]
{rank 0/100} MD step = 492500 step time: 00:00:00.017934 Performance: 120.546 ns/day 0.199 hours/ns 6.976 steps/s 2023-04-08 07:32:01,153 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 492500 98500 50.142 -36185 5495.6 -41680 -41680 7.4767 3.9797 1.0055 7.92e+05 2023-04-08 07:32:03,000 INFO [main.py:643]
{rank 0/100} MD step = 492600 step time: 00:00:00.017920 Performance: 120.544 ns/day 0.199 hours/ns 6.976 steps/s 2023-04-08 07:32:15,615 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 492600 98520 50.167 -36188 5498.4 -41687 -41687 7.4765 3.9802 1.0046 7.9216e+05 2023-04-08 07:32:17,528 INFO [main.py:643]
{rank 0/100} MD step = 492700 step time: 00:00:00.017959 Performance: 120.544 ns/day 0.199 hours/ns 6.976 steps/s 2023-04-08 07:32:43,079 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 492700 98540 50.614 -36024 5547.4 -41571 -41571 7.4792 3.9819 1.0053 7.9234e+05 2023-04-08 07:32:45,475 INFO [main.py:643]
{rank 0/100} MD step = 492800 step time: 00:00:00.018079 Performance: 120.520 ns/day 0.199 hours/ns 6.975 steps/s 2023-04-08 07:33:09,394 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 492800 98560 49.81 -36327 5459.2 -41786 -41786 7.4839 3.9834 1.0054 7.9247e+05 2023-04-08 07:33:11,212 INFO [main.py:643]
{rank 0/100} MD step = 492900 step time: 00:00:00.018011 Performance: 120.501 ns/day 0.199 hours/ns 6.973 steps/s 2023-04-08 07:33:28,522 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 492900 98580 50.572 -36156 5542.7 -41699 -41699 7.4842 3.984 1.0042 7.9264e+05 2023-04-08 07:33:30,409 INFO [main.py:643]
{rank 0/100} MD step = 493000 step time: 00:00:00.018411 Performance: 120.493 ns/day 0.199 hours/ns 6.973 steps/s 2023-04-08 07:33:52,112 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 493000 98600 49.963 -36194 5476 -41670 -41670 7.4881 3.9852 1.0053 7.9277e+05 2023-04-08 07:33:54,014 INFO [main.py:643]
{rank 0/100} MD step = 493100 step time: 00:00:00.018093 Performance: 120.477 ns/day 0.199 hours/ns 6.972 steps/s 2023-04-08 07:34:41,292 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 493100 98620 50.037 -36280 5484.1 -41764 -41764 7.4906 3.985 1.0044 7.9293e+05 2023-04-08 07:34:47,399 INFO [main.py:643]
{rank 0/100} MD step = 493200 step time: 00:00:00.018148 Performance: 120.410 ns/day 0.199 hours/ns 6.968 steps/s 2023-04-08 07:35:07,279 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 493200 98640 48.896 -36234 5359.1 -41593 -41593 7.4933 3.9875 1.0047 7.9312e+05 2023-04-08 07:35:09,202 INFO [main.py:643]
{rank 0/100} MD step = 493300 step time: 00:00:00.018220 Performance: 120.398 ns/day 0.199 hours/ns 6.967 steps/s 2023-04-08 07:35:20,888 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 493300 98660 50.531 -36144 5538.2 -41683 -41683 7.4945 3.9894 1.0051 7.9325e+05 2023-04-08 07:35:22,772 INFO [main.py:643]
{rank 0/100} MD step = 493400 step time: 00:00:00.018264 Performance: 120.399 ns/day 0.199 hours/ns 6.968 steps/s 2023-04-08 07:35:56,746 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 493400 98680 49.784 -36318 5456.4 -41775 -41775 7.4975 3.9907 1.0051 7.9339e+05 2023-04-08 07:36:02,493 INFO [main.py:643]
{rank 0/100} MD step = 493500 step time: 00:00:00.018049 Performance: 120.356 ns/day 0.199 hours/ns 6.965 steps/s 2023-04-08 07:36:03,552 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 493500 98700 50.544 -36097 5539.7 -41637 -41637 7.4972 3.9928 1.0074 7.9361e+05 2023-04-08 07:36:09,006 INFO [main.py:643]
{rank 0/100} MD step = 493600 step time: 00:00:00.018016 Performance: 120.369 ns/day 0.199 hours/ns 6.966 steps/s 2023-04-08 07:36:18,156 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 493600 98720 49.69 -36321 5446 -41767 -41767 7.4999 3.9946 1.0069 7.9373e+05 2023-04-08 07:36:20,275 INFO [main.py:643]
{rank 0/100} MD step = 493700 step time: 00:00:00.017904 Performance: 120.375 ns/day 0.199 hours/ns 6.966 steps/s 2023-04-08 07:36:52,678 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 493700 98740 50.034 -36093 5483.8 -41577 -41577 7.5021 3.9944 1.0074 7.9392e+05 2023-04-08 07:36:54,558 INFO [main.py:643]
{rank 0/100} MD step = 493800 step time: 00:00:00.018076 Performance: 120.341 ns/day 0.199 hours/ns 6.964 steps/s 2023-04-08 07:37:11,831 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 493800 98760 50.088 -36168 5489.8 -41658 -41658 7.5039 3.9955 1.0075 7.9405e+05 2023-04-08 07:37:13,804 INFO [main.py:643]
{rank 0/100} MD step = 493900 step time: 00:00:00.018351 Performance: 120.332 ns/day 0.199 hours/ns 6.964 steps/s 2023-04-08 07:37:56,694 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 493900 98780 50.439 -36227 5528.1 -41756 -41756 7.5064 3.9974 1.0066 7.9422e+05 2023-04-08 07:37:58,604 INFO [main.py:643]
{rank 0/100} MD step = 494000 step time: 00:00:00.017968 Performance: 120.281 ns/day 0.200 hours/ns 6.961 steps/s 2023-04-08 07:38:20,634 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 494000 98800 49.91 -36148 5470.2 -41618 -41618 7.5073 3.998 1.0066 7.9438e+05 2023-04-08 07:38:22,484 INFO [main.py:643]
{rank 0/100} MD step = 494100 step time: 00:00:00.018095 Performance: 120.265 ns/day 0.200 hours/ns 6.960 steps/s 2023-04-08 07:38:39,863 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 494100 98820 50.775 -36225 5565 -41790 -41790 7.511 3.9971 1.0065 7.9453e+05 2023-04-08 07:38:41,758 INFO [main.py:643]
{rank 0/100} MD step = 494200 step time: 00:00:00.018023 Performance: 120.256 ns/day 0.200 hours/ns 6.959 steps/s 2023-04-08 07:39:16,127 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 494200 98840 50.18 -36151 5499.8 -41650 -41650 7.5128 3.9973 1.0066 7.9472e+05 2023-04-08 07:39:18,207 INFO [main.py:643]
{rank 0/100} MD step = 494300 step time: 00:00:00.017942 Performance: 120.219 ns/day 0.200 hours/ns 6.957 steps/s 2023-04-08 07:39:31,160 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 494300 98860 50.508 -36091 5535.8 -41626 -41626 7.5136 3.9975 1.0072 7.9492e+05 2023-04-08 07:39:32,982 INFO [main.py:643]
{rank 0/100} MD step = 494400 step time: 00:00:00.017901 Performance: 120.218 ns/day 0.200 hours/ns 6.957 steps/s 2023-04-08 07:39:40,030 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 494400 98880 50.607 -36108 5546.6 -41655 -41655 7.5184 4.0001 1.0074 7.9506e+05 2023-04-08 07:39:41,957 INFO [main.py:643]
{rank 0/100} MD step = 494500 step time: 00:00:00.018152 Performance: 120.228 ns/day 0.200 hours/ns 6.958 steps/s 2023-04-08 07:40:03,469 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 494500 98900 50.465 -36216 5531 -41747 -41747 7.5203 4.0007 1.0088 7.952e+05 2023-04-08 07:40:05,361 INFO [main.py:643]
{rank 0/100} MD step = 494600 step time: 00:00:00.017958 Performance: 120.212 ns/day 0.200 hours/ns 6.957 steps/s 2023-04-08 07:40:24,974 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 494600 98920 50.152 -36276 5496.7 -41773 -41773 7.5245 4.0011 1.0097 7.9533e+05 2023-04-08 07:40:27,086 INFO [main.py:643]
{rank 0/100} MD step = 494700 step time: 00:00:00.017921 Performance: 120.200 ns/day 0.200 hours/ns 6.956 steps/s 2023-04-08 07:40:52,982 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 494700 98940 49.672 -36138 5444.1 -41582 -41582 7.5258 4.0041 1.0087 7.9554e+05 2023-04-08 07:40:58,947 INFO [main.py:643]
{rank 0/100} MD step = 494800 step time: 00:00:00.017964 Performance: 120.170 ns/day 0.200 hours/ns 6.954 steps/s 2023-04-08 07:41:27,096 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 494800 98960 49.304 -36213 5403.8 -41617 -41617 7.5275 4.0057 1.0081 7.957e+05 2023-04-08 07:41:29,386 INFO [main.py:643]
{rank 0/100} MD step = 494900 step time: 00:00:00.018047 Performance: 120.143 ns/day 0.200 hours/ns 6.953 steps/s 2023-04-08 07:41:44,483 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 494900 98980 50.369 -36160 5520.5 -41680 -41680 7.5309 4.0076 1.0082 7.9584e+05 2023-04-08 07:41:46,285 INFO [main.py:643]
{rank 0/100} MD step = 495000 step time: 00:00:00.017880 Performance: 120.139 ns/day 0.200 hours/ns 6.952 steps/s 2023-04-08 07:41:56,409 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 495000 99000 50.496 -36142 5534.4 -41676 -41676 7.5335 4.0097 1.0093 7.96e+05 2023-04-08 07:41:58,315 INFO [main.py:643]
{rank 0/100} MD step = 495100 step time: 00:00:00.018213 Performance: 120.143 ns/day 0.200 hours/ns 6.953 steps/s 2023-04-08 07:42:21,135 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 495100 99020 50.018 -36059 5482.1 -41541 -41541 7.5364 4.0099 1.009 7.9621e+05 2023-04-08 07:42:22,992 INFO [main.py:643]
{rank 0/100} MD step = 495200 step time: 00:00:00.017902 Performance: 120.126 ns/day 0.200 hours/ns 6.952 steps/s 2023-04-08 07:42:53,357 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 495200 99040 49.676 -36156 5444.6 -41601 -41601 7.5398 4.0107 1.0103 7.9637e+05 2023-04-08 07:42:55,291 INFO [main.py:643]
{rank 0/100} MD step = 495300 step time: 00:00:00.017955 Performance: 120.095 ns/day 0.200 hours/ns 6.950 steps/s 2023-04-08 07:43:08,369 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 495300 99060 49.514 -36309 5426.8 -41736 -41736 7.5383 4.011 1.0098 7.9651e+05 2023-04-08 07:43:10,304 INFO [main.py:643]
{rank 0/100} MD step = 495400 step time: 00:00:00.018054 Performance: 120.094 ns/day 0.200 hours/ns 6.950 steps/s 2023-04-08 07:43:27,466 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 495400 99080 49.713 -36239 5448.6 -41687 -41687 7.5406 4.0117 1.0112 7.9665e+05 2023-04-08 07:43:37,736 INFO [main.py:643]
{rank 0/100} MD step = 495500 step time: 00:00:00.017973 Performance: 120.072 ns/day 0.200 hours/ns 6.949 steps/s 2023-04-08 07:44:45,032 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 495500 99100 49.077 -36264 5378.9 -41643 -41643 7.5413 4.0136 1.0133 7.9683e+05 2023-04-08 07:44:46,834 INFO [main.py:643]
{rank 0/100} MD step = 495600 step time: 00:00:00.018208 Performance: 119.980 ns/day 0.200 hours/ns 6.943 steps/s 2023-04-08 07:45:04,410 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 495600 99120 49.68 -36136 5444.9 -41581 -41581 7.5471 4.0148 1.0143 7.9701e+05 2023-04-08 07:45:06,228 INFO [main.py:643]
{rank 0/100} MD step = 495700 step time: 00:00:00.018082 Performance: 119.972 ns/day 0.200 hours/ns 6.943 steps/s 2023-04-08 07:45:32,109 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 495700 99140 50.228 -36247 5505 -41752 -41752 7.5516 4.015 1.0136 7.9714e+05 2023-04-08 07:45:34,037 INFO [main.py:643]
{rank 0/100} MD step = 495800 step time: 00:00:00.018243 Performance: 119.949 ns/day 0.200 hours/ns 6.942 steps/s 2023-04-08 07:46:04,215 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 495800 99160 50.321 -36187 5515.3 -41702 -41702 7.5525 4.0152 1.0126 7.9732e+05 2023-04-08 07:46:06,249 INFO [main.py:643]
{rank 0/100} MD step = 495900 step time: 00:00:00.018068 Performance: 119.920 ns/day 0.200 hours/ns 6.940 steps/s 2023-04-08 07:46:49,656 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 495900 99180 49.305 -36315 5403.9 -41719 -41719 7.5547 4.0169 1.0133 7.9748e+05 2023-04-08 07:46:51,519 INFO [main.py:643]
{rank 0/100} MD step = 496000 step time: 00:00:00.017908 Performance: 119.868 ns/day 0.200 hours/ns 6.937 steps/s 2023-04-08 07:47:04,488 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 496000 99200 49.881 -36227 5467 -41694 -41694 7.5573 4.0167 1.0122 7.9763e+05 2023-04-08 07:47:06,490 INFO [main.py:643]
{rank 0/100} MD step = 496100 step time: 00:00:00.018028 Performance: 119.867 ns/day 0.200 hours/ns 6.937 steps/s 2023-04-08 07:47:32,392 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 496100 99220 50.272 -36047 5509.9 -41557 -41557 7.5607 4.0182 1.0142 7.9783e+05 2023-04-08 07:47:34,252 INFO [main.py:643]
{rank 0/100} MD step = 496200 step time: 00:00:00.018042 Performance: 119.844 ns/day 0.200 hours/ns 6.935 steps/s 2023-04-08 07:48:04,676 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 496200 99240 49.04 -36368 5374.8 -41743 -41743 7.5643 4.0166 1.0144 7.9795e+05 2023-04-08 07:48:06,698 INFO [main.py:643]
{rank 0/100} MD step = 496300 step time: 00:00:00.018061 Performance: 119.814 ns/day 0.200 hours/ns 6.934 steps/s 2023-04-08 07:48:28,246 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 496300 99260 49.919 -36213 5471.2 -41684 -41684 7.5652 4.0169 1.0153 7.9813e+05 2023-04-08 07:48:30,147 INFO [main.py:643]
{rank 0/100} MD step = 496400 step time: 00:00:00.018006 Performance: 119.799 ns/day 0.200 hours/ns 6.933 steps/s 2023-04-08 07:48:43,499 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 496400 99280 49.814 -36181 5459.7 -41641 -41641 7.5685 4.0175 1.0148 7.9828e+05 2023-04-08 07:48:45,350 INFO [main.py:643]
{rank 0/100} MD step = 496500 step time: 00:00:00.017963 Performance: 119.798 ns/day 0.200 hours/ns 6.933 steps/s 2023-04-08 07:48:58,892 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 496500 99300 49.759 -36141 5453.6 -41595 -41595 7.5687 4.0181 1.0142 7.9844e+05 2023-04-08 07:49:00,757 INFO [main.py:643]
{rank 0/100} MD step = 496600 step time: 00:00:00.017892 Performance: 119.796 ns/day 0.200 hours/ns 6.933 steps/s 2023-04-08 07:49:09,240 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 496600 99320 50.523 -36185 5537.4 -41723 -41723 7.5728 4.0199 1.0145 7.9857e+05 2023-04-08 07:49:11,110 INFO [main.py:643]
{rank 0/100} MD step = 496700 step time: 00:00:00.017868 Performance: 119.803 ns/day 0.200 hours/ns 6.933 steps/s 2023-04-08 07:49:19,841 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 496700 99340 49.591 -36312 5435.3 -41747 -41747 7.5744 4.022 1.0142 7.9874e+05 2023-04-08 07:49:25,772 INFO [main.py:643]
{rank 0/100} MD step = 496800 step time: 00:00:00.017901 Performance: 119.803 ns/day 0.200 hours/ns 6.933 steps/s 2023-04-08 07:49:43,210 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 496800 99360 49.329 -36348 5406.5 -41754 -41754 7.5766 4.0218 1.0152 7.9891e+05 2023-04-08 07:49:45,272 INFO [main.py:643]
{rank 0/100} MD step = 496900 step time: 00:00:00.017993 Performance: 119.794 ns/day 0.200 hours/ns 6.933 steps/s 2023-04-08 07:49:58,791 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 496900 99380 49.388 -36261 5413 -41674 -41674 7.5814 4.0237 1.015 7.9909e+05 2023-04-08 07:50:00,702 INFO [main.py:643]
{rank 0/100} MD step = 497000 step time: 00:00:00.017914 Performance: 119.792 ns/day 0.200 hours/ns 6.932 steps/s 2023-04-08 07:50:21,851 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 497000 99400 50.876 -36116 5576 -41692 -41692 7.5853 4.0242 1.0143 7.9924e+05 2023-04-08 07:50:23,737 INFO [main.py:643]
{rank 0/100} MD step = 497100 step time: 00:00:00.018107 Performance: 119.778 ns/day 0.200 hours/ns 6.932 steps/s 2023-04-08 07:50:37,354 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 497100 99420 49.578 -36280 5433.8 -41714 -41714 7.588 4.0241 1.013 7.9938e+05 2023-04-08 07:50:39,343 INFO [main.py:643]
{rank 0/100} MD step = 497200 step time: 00:00:00.018128 Performance: 119.776 ns/day 0.200 hours/ns 6.931 steps/s 2023-04-08 07:50:56,486 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 497200 99440 50.864 -36262 5574.7 -41836 -41836 7.5935 4.0246 1.0122 7.9953e+05 2023-04-08 07:51:02,323 INFO [main.py:643]
{rank 0/100} MD step = 497300 step time: 00:00:00.017955 Performance: 119.762 ns/day 0.200 hours/ns 6.931 steps/s 2023-04-08 07:51:30,888 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 497300 99460 50.389 -36207 5522.7 -41730 -41730 7.5969 4.026 1.0108 7.997e+05 2023-04-08 07:51:32,722 INFO [main.py:643]
{rank 0/100} MD step = 497400 step time: 00:00:00.018040 Performance: 119.735 ns/day 0.200 hours/ns 6.929 steps/s 2023-04-08 07:51:45,604 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 497400 99480 50.064 -36161 5487.1 -41648 -41648 7.5998 4.0258 1.0096 7.9988e+05 2023-04-08 07:51:51,911 INFO [main.py:643]
{rank 0/100} MD step = 497500 step time: 00:00:00.018152 Performance: 119.727 ns/day 0.200 hours/ns 6.929 steps/s 2023-04-08 07:52:01,053 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 497500 99500 50.228 -36108 5505.1 -41613 -41613 7.6017 4.0248 1.0101 8.0005e+05 2023-04-08 07:52:02,949 INFO [main.py:643]
{rank 0/100} MD step = 497600 step time: 00:00:00.017840 Performance: 119.733 ns/day 0.200 hours/ns 6.929 steps/s 2023-04-08 07:52:12,020 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 497600 99520 50.739 -36066 5561 -41627 -41627 7.6043 4.0256 1.0107 8.0019e+05 2023-04-08 07:52:13,832 INFO [main.py:643]
{rank 0/100} MD step = 497700 step time: 00:00:00.018136 Performance: 119.739 ns/day 0.200 hours/ns 6.929 steps/s 2023-04-08 07:52:22,149 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 497700 99540 50.231 -36199 5505.3 -41704 -41704 7.6074 4.0257 1.0112 8.0036e+05 2023-04-08 07:52:24,518 INFO [main.py:643]
{rank 0/100} MD step = 497800 step time: 00:00:00.017846 Performance: 119.745 ns/day 0.200 hours/ns 6.930 steps/s 2023-04-08 07:52:54,453 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 497800 99560 50.169 -36181 5498.6 -41680 -41680 7.6112 4.0261 1.0125 8.0052e+05 2023-04-08 07:52:56,400 INFO [main.py:643]
{rank 0/100} MD step = 497900 step time: 00:00:00.018154 Performance: 119.716 ns/day 0.200 hours/ns 6.928 steps/s 2023-04-08 07:53:09,868 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 497900 99580 49.818 -36232 5460.1 -41692 -41692 7.6139 4.0262 1.0145 8.007e+05 2023-04-08 07:53:11,811 INFO [main.py:643]
{rank 0/100} MD step = 498000 step time: 00:00:00.018157 Performance: 119.714 ns/day 0.200 hours/ns 6.928 steps/s 2023-04-08 07:53:33,603 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 498000 99600 50.21 -36329 5503.1 -41832 -41832 7.6185 4.0257 1.0159 8.0082e+05 2023-04-08 07:53:35,502 INFO [main.py:643]
{rank 0/100} MD step = 498100 step time: 00:00:00.018082 Performance: 119.699 ns/day 0.201 hours/ns 6.927 steps/s 2023-04-08 07:53:44,146 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 498100 99620 50.072 -36180 5487.9 -41668 -41668 7.62 4.027 1.0162 8.0102e+05 2023-04-08 07:53:46,055 INFO [main.py:643]
{rank 0/100} MD step = 498200 step time: 00:00:00.018135 Performance: 119.705 ns/day 0.200 hours/ns 6.927 steps/s 2023-04-08 07:53:50,565 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 498200 99640 49.92 -36184 5471.3 -41655 -41655 7.6237 4.0295 1.0154 8.0118e+05 2023-04-08 07:53:56,286 INFO [main.py:643]
{rank 0/100} MD step = 498300 step time: 00:00:00.018045 Performance: 119.712 ns/day 0.200 hours/ns 6.928 steps/s 2023-04-08 07:54:07,823 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 498300 99660 49.642 -36265 5440.9 -41706 -41706 7.6258 4.0315 1.0159 8.0135e+05 2023-04-08 07:54:09,692 INFO [main.py:643]
{rank 0/100} MD step = 498400 step time: 00:00:00.017993 Performance: 119.714 ns/day 0.200 hours/ns 6.928 steps/s 2023-04-08 07:54:48,385 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 498400 99680 50.306 -36348 5513.6 -41862 -41862 7.6289 4.0327 1.0167 8.0148e+05 2023-04-08 07:54:50,268 INFO [main.py:643]
{rank 0/100} MD step = 498500 step time: 00:00:00.018077 Performance: 119.671 ns/day 0.201 hours/ns 6.925 steps/s 2023-04-08 07:55:03,356 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 498500 99700 50.285 -36126 5511.3 -41638 -41638 7.6337 4.035 1.0177 8.0168e+05 2023-04-08 07:55:05,305 INFO [main.py:643]
{rank 0/100} MD step = 498600 step time: 00:00:00.018096 Performance: 119.670 ns/day 0.201 hours/ns 6.925 steps/s 2023-04-08 07:55:10,619 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 498600 99720 49.583 -36229 5434.4 -41664 -41664 7.6381 4.0331 1.0186 8.0184e+05 2023-04-08 07:55:12,629 INFO [main.py:643]
{rank 0/100} MD step = 498700 step time: 00:00:00.020086 Performance: 119.681 ns/day 0.201 hours/ns 6.926 steps/s 2023-04-08 07:55:24,736 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 498700 99740 49.896 -36255 5468.7 -41724 -41724 7.6431 4.0337 1.0191 8.0197e+05 2023-04-08 07:55:26,631 INFO [main.py:643]
{rank 0/100} MD step = 498800 step time: 00:00:00.017965 Performance: 119.682 ns/day 0.201 hours/ns 6.926 steps/s 2023-04-08 07:55:40,507 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 498800 99760 49.455 -36248 5420.3 -41669 -41669 7.6434 4.0338 1.0199 8.0215e+05 2023-04-08 07:55:42,333 INFO [main.py:643]
{rank 0/100} MD step = 498900 step time: 00:00:00.017975 Performance: 119.680 ns/day 0.201 hours/ns 6.926 steps/s 2023-04-08 07:55:59,185 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 498900 99780 49.091 -36209 5380.4 -41590 -41590 7.6475 4.0348 1.0178 8.0233e+05 2023-04-08 07:56:01,075 INFO [main.py:643]
{rank 0/100} MD step = 499000 step time: 00:00:00.018178 Performance: 119.673 ns/day 0.201 hours/ns 6.926 steps/s 2023-04-08 07:56:02,257 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 499000 99800 50.206 -36164 5502.7 -41667 -41667 7.6486 4.0365 1.017 8.0247e+05 2023-04-08 07:56:04,278 INFO [main.py:643]
{rank 0/100} MD step = 499100 step time: 00:00:00.018142 Performance: 119.692 ns/day 0.201 hours/ns 6.927 steps/s 2023-04-08 07:56:14,401 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 499100 99820 49.563 -36259 5432.2 -41691 -41691 7.6537 4.0374 1.0177 8.0264e+05 2023-04-08 07:56:20,300 INFO [main.py:643]
{rank 0/100} MD step = 499200 step time: 00:00:00.017855 Performance: 119.689 ns/day 0.201 hours/ns 6.926 steps/s 2023-04-08 07:56:25,118 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 499200 99840 51.037 -36171 5593.7 -41764 -41764 7.6587 4.039 1.0182 8.0277e+05 2023-04-08 07:56:30,894 INFO [main.py:643]
{rank 0/100} MD step = 499300 step time: 00:00:00.018038 Performance: 119.695 ns/day 0.201 hours/ns 6.927 steps/s 2023-04-08 07:56:36,150 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 499300 99860 49.721 -36240 5449.4 -41689 -41689 7.6592 4.0384 1.0182 8.0295e+05 2023-04-08 07:56:38,021 INFO [main.py:643]
{rank 0/100} MD step = 499400 step time: 00:00:00.018084 Performance: 119.708 ns/day 0.200 hours/ns 6.928 steps/s 2023-04-08 07:56:55,236 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 499400 99880 49.682 -36235 5445.2 -41680 -41680 7.661 4.0381 1.0189 8.031e+05 2023-04-08 07:56:57,173 INFO [main.py:643]
{rank 0/100} MD step = 499500 step time: 00:00:00.017853 Performance: 119.700 ns/day 0.201 hours/ns 6.927 steps/s 2023-04-08 07:57:31,432 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 499500 99900 49.847 -36324 5463.3 -41787 -41787 7.665 4.0391 1.0198 8.0325e+05 2023-04-08 07:57:33,487 INFO [main.py:643]
{rank 0/100} MD step = 499600 step time: 00:00:00.017953 Performance: 119.663 ns/day 0.201 hours/ns 6.925 steps/s 2023-04-08 07:57:50,832 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 499600 99920 50.043 -36215 5484.8 -41699 -41699 7.6688 4.0403 1.0195 8.0341e+05 2023-04-08 07:57:52,684 INFO [main.py:643]
{rank 0/100} MD step = 499700 step time: 00:00:00.018093 Performance: 119.656 ns/day 0.201 hours/ns 6.925 steps/s 2023-04-08 07:58:01,650 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 499700 99940 49.618 -36230 5438.2 -41668 -41668 7.6709 4.0412 1.0202 8.0359e+05 2023-04-08 07:58:03,476 INFO [main.py:643]
{rank 0/100} MD step = 499800 step time: 00:00:00.017969 Performance: 119.662 ns/day 0.201 hours/ns 6.925 steps/s 2023-04-08 07:58:12,393 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 499800 99960 50.727 -36198 5559.7 -41758 -41758 7.6757 4.0413 1.0204 8.0371e+05 2023-04-08 07:58:14,386 INFO [main.py:643]
{rank 0/100} MD step = 499900 step time: 00:00:00.017906 Performance: 119.667 ns/day 0.201 hours/ns 6.925 steps/s 2023-04-08 07:58:31,791 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 499900 99980 49.708 -36191 5448 -41639 -41639 7.6787 4.042 1.0198 8.0391e+05 2023-04-08 07:58:33,764 INFO [main.py:643]
{rank 0/100} MD step = 500000 step time: 00:00:00.018080 Performance: 119.659 ns/day 0.201 hours/ns 6.925 steps/s 2023-04-08 07:58:51,197 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 500000 1e+05 50.156 -36187 5497.2 -41684 -41684 7.6835 4.0435 1.0188 8.0404e+05 2023-04-08 07:58:51,198 INFO [main.py:1143]
{rank 0/100} Elapsed time: 20:04:15.230180 Setup time: 00:00:32.605304 MD loop time: 20:03:42.624876