2023-02-20 01:27:04,567 INFO [configure_runtime.py:131] {rank 0/100} __ __ ____ __ _______ / / / /_ __/ / /__ _________ _____ ______ / |/ / __ \ / /_/ / / / / / / _ \/ ___/ __ `/ __ `/ ___/ / /|_/ / / / / / __ / /_/ / / / __/ / / /_/ / /_/ (__ ) / / / / /_/ / /_/ /_/\__, /_/_/\___/_/ \__,_/\__,_/____/ /_/ /_/_____/ /____/ Version 1.0.8 Please read and cite accordingly the references below: [1] Milano, G.; Kawakatsu, T. Hybrid particle-field molecular dynamics simulations for dense polymer systems. J. Chem. Phys. 2009, 130, 214106. [2] Bore, S. L.; Cascella, M. Hamiltonian and alias-free hybrid particle–field molecular dynamics. J. Chem. Phys. 2020, 153, 094106. [3] Kolli, H. B.; De Nicola, A.; Bore, S. L.; Schäfer, K.; Diezemann, G.; Gauss, J.; Kawakatsu, T.;Lu, Z.-Y.; Zhu, Y.-L.; Milano, G.; Cascella, M. Hybrid Particle-Field Molecular DynamicsSimulations of Charged Amphiphiles in an Aqueous Environment. J. Chem. Theory Comput. 2018, 14, 4928–4937. [4] Bore, S. L.; Milano, G.; Cascella, M. Hybrid Particle-Field Model for Conformational Dynamics of Peptide Chains. J. Chem. Theory Comput. 2018, 14, 1120–1130. [5] Periole, X.; Cavalli, M.; Marrink, S. J.; Ceruso, M. A. Combining an elastic network with a coarse-grained molecular force field: structure, dynamics, and intermolecular recognition. J. Chem. Theory Comput. 2009, 5.9, 2531-2543. 2023-02-20 01:27:04,569 INFO [configure_runtime.py:155] {rank 0/100} Attempting to parse config file out_tempseries_test/a=6.16/T=60/config.tomli as .toml 2023-02-20 01:27:04,576 INFO [configure_runtime.py:163] {rank 0/100} Successfully parsed out_tempseries_test/a=6.16/T=60/config.tomli as .toml file 2023-02-20 01:27:04,576 INFO [configure_runtime.py:167] {rank 0/100} Config: /cluster/work/users/samiransen23/566825/out_tempseries_test/a=6.16/T=60/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: False target_temperature: 60 mass: 39.948 hamiltonian: DefaultWithChi domain_decomposition: None integrator: velocity-verlet respa_inner: 1 file_name: /cluster/work/users/samiransen23/566825/out_tempseries_test/a=6.16/T=60/config.tomli name: monoatomic fcc lattice tags: ['mono', 'crystal', 'lattice'] n_particles: 8788 max_molecule_size: 1 n_flush: 4 thermostat_work: 0.0 initial_energy: None cancel_com_momentum: False coulombtype: None convergence_type: None pol_mixing: None dielectric_const: None conv_crit: None dielectric_type: [] 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/samiransen23/566825/hymd/__main__.py out_tempseries_test/a=6.16/T=60/config.tomli out_tempseries_test/a=6.16/T=60/input.h5 --logfile=log.txt --verbose 2 --seed 5 --velocity-output --destdir out_tempseries_test/a=6.16/T=60 target_pressure: P_L: None P_N: None bonds: angle_bonds: dihedrals: chi: W W: 1.0 K_coupl: 2023-02-20 01:27:04,673 WARNING [input_parser.py:1220] {rank 0/100} config.n_b not specified.Defaulting to 1 2023-02-20 01:27:05,050 INFO [main.py:231]
{rank 0/100} pfft-python processor mesh: (10, 10) 2023-02-20 01:27:07,439 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 0 0 60.01 -33577 6577.2 -40154 -40154 0.36624 1.4025 -0.13307 -9.5243e-06 2023-02-20 01:27:07,439 INFO [main.py:609]
{rank 0/100} MD step = 1 2023-02-20 01:27:09,544 INFO [main.py:643]
{rank 0/100} MD step = 100 step time: 00:00:00.018121 Performance: 829.322 ns/day 0.029 hours/ns 47.993 steps/s 2023-02-20 01:27:10,900 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 59.766 -33540 6550.4 -40090 -40090 0.36648 1.4054 -0.13285 183.38 2023-02-20 01:27:12,831 INFO [main.py:643]
{rank 0/100} MD step = 200 step time: 00:00:00.020022 Performance: 644.183 ns/day 0.037 hours/ns 37.279 steps/s 2023-02-20 01:27:14,691 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 200 40 60.043 -33453 6580.8 -40034 -40034 0.36478 1.4056 -0.13321 347.3 2023-02-20 01:27:16,744 INFO [main.py:643]
{rank 0/100} MD step = 300 step time: 00:00:00.018023 Performance: 558.956 ns/day 0.043 hours/ns 32.347 steps/s 2023-02-20 01:27:17,833 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 300 60 59.542 -33599 6525.9 -40125 -40125 0.36363 1.4053 -0.13302 518.32 2023-02-20 01:27:19,779 INFO [main.py:643]
{rank 0/100} MD step = 400 step time: 00:00:00.020282 Performance: 561.513 ns/day 0.043 hours/ns 32.495 steps/s 2023-02-20 01:27:21,142 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 61.034 -33371 6689.4 -40060 -40060 0.36278 1.4067 -0.13208 698.63 2023-02-20 01:27:23,013 INFO [main.py:643]
{rank 0/100} MD step = 500 step time: 00:00:00.018357 Performance: 555.888 ns/day 0.043 hours/ns 32.169 steps/s 2023-02-20 01:27:24,536 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 60.515 -33413 6632.5 -40045 -40045 0.36318 1.4083 -0.13159 876.86 2023-02-20 01:27:26,466 INFO [main.py:643]
{rank 0/100} MD step = 600 step time: 00:00:00.018085 Performance: 545.821 ns/day 0.044 hours/ns 31.587 steps/s 2023-02-20 01:27:27,822 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 60.503 -33519 6631.2 -40151 -40151 0.36266 1.411 -0.13326 1066.5 2023-02-20 01:27:29,780 INFO [main.py:643]
{rank 0/100} MD step = 700 step time: 00:00:00.018301 Performance: 542.210 ns/day 0.044 hours/ns 31.378 steps/s 2023-02-20 01:27:31,016 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 59.748 -33634 6548.5 -40182 -40182 0.36284 1.4118 -0.13202 1230.9 2023-02-20 01:27:32,985 INFO [main.py:643]
{rank 0/100} MD step = 800 step time: 00:00:00.018187 Performance: 541.821 ns/day 0.044 hours/ns 31.355 steps/s 2023-02-20 01:27:34,409 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 60.395 -33472 6619.3 -40091 -40091 0.36246 1.4148 -0.13226 1400 2023-02-20 01:27:36,353 INFO [main.py:643]
{rank 0/100} MD step = 900 step time: 00:00:00.018206 Performance: 538.474 ns/day 0.045 hours/ns 31.162 steps/s 2023-02-20 01:27:37,640 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 60.837 -33409 6667.9 -40077 -40077 0.36347 1.4151 -0.13129 1586 2023-02-20 01:27:39,524 INFO [main.py:643]
{rank 0/100} MD step = 1000 step time: 00:00:00.019781 Performance: 539.117 ns/day 0.045 hours/ns 31.199 steps/s 2023-02-20 01:27:40,789 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 59.365 -33571 6506.4 -40078 -40078 0.36373 1.4158 -0.13154 1773 2023-02-20 01:27:42,618 INFO [main.py:643]
{rank 0/100} MD step = 1100 step time: 00:00:00.018003 Performance: 540.817 ns/day 0.044 hours/ns 31.297 steps/s 2023-02-20 01:27:44,140 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 59.275 -33639 6496.6 -40136 -40136 0.36343 1.4148 -0.1321 1920.8 2023-02-20 01:27:45,983 INFO [main.py:643]
{rank 0/100} MD step = 1200 step time: 00:00:00.018074 Performance: 538.428 ns/day 0.045 hours/ns 31.159 steps/s 2023-02-20 01:27:47,180 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 60.131 -33420 6590.5 -40011 -40011 0.36391 1.4162 -0.13144 2140 2023-02-20 01:27:49,123 INFO [main.py:643]
{rank 0/100} MD step = 1300 step time: 00:00:00.018723 Performance: 539.323 ns/day 0.045 hours/ns 31.211 steps/s 2023-02-20 01:27:50,566 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 60.62 -33503 6644 -40147 -40147 0.36288 1.4179 -0.13163 2270 2023-02-20 01:27:52,428 INFO [main.py:643]
{rank 0/100} MD step = 1400 step time: 00:00:00.019772 Performance: 538.119 ns/day 0.045 hours/ns 31.141 steps/s 2023-02-20 01:27:53,814 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 60.041 -33544 6580.6 -40124 -40124 0.36189 1.4191 -0.13384 2442.1 2023-02-20 01:27:55,669 INFO [main.py:643]
{rank 0/100} MD step = 1500 step time: 00:00:00.018084 Performance: 537.780 ns/day 0.045 hours/ns 31.122 steps/s 2023-02-20 01:27:56,819 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 60.693 -33379 6652 -40031 -40031 0.36151 1.4197 -0.13285 2644.7 2023-02-20 01:27:58,751 INFO [main.py:643]
{rank 0/100} MD step = 1600 step time: 00:00:00.018727 Performance: 539.159 ns/day 0.045 hours/ns 31.201 steps/s 2023-02-20 01:27:59,976 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 59.256 -33541 6494.6 -40035 -40035 0.35989 1.4202 -0.13426 2780.2 2023-02-20 01:28:01,892 INFO [main.py:643]
{rank 0/100} MD step = 1700 step time: 00:00:00.018023 Performance: 539.792 ns/day 0.044 hours/ns 31.238 steps/s 2023-02-20 01:28:06,564 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 60.451 -33497 6625.5 -40122 -40122 0.36132 1.4207 -0.13443 2962.6 2023-02-20 01:28:09,180 INFO [main.py:643]
{rank 0/100} MD step = 1800 step time: 00:00:00.018503 Performance: 504.064 ns/day 0.048 hours/ns 29.170 steps/s 2023-02-20 01:28:10,642 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 59.394 -33726 6509.6 -40235 -40235 0.3594 1.4208 -0.13456 3113.7 2023-02-20 01:28:12,577 INFO [main.py:643]
{rank 0/100} MD step = 1900 step time: 00:00:00.017835 Performance: 504.303 ns/day 0.048 hours/ns 29.184 steps/s 2023-02-20 01:28:13,930 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 59.21 -33629 6489.5 -40119 -40119 0.35798 1.4206 -0.13304 3284.7 2023-02-20 01:28:15,774 INFO [main.py:643]
{rank 0/100} MD step = 2000 step time: 00:00:00.018287 Performance: 505.997 ns/day 0.047 hours/ns 29.282 steps/s 2023-02-20 01:28:17,286 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 60.085 -33538 6585.3 -40123 -40123 0.35789 1.4231 -0.1325 3421.3 2023-02-20 01:28:19,292 INFO [main.py:643]
{rank 0/100} MD step = 2100 step time: 00:00:00.018210 Performance: 505.273 ns/day 0.047 hours/ns 29.240 steps/s 2023-02-20 01:28:20,536 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 59.907 -33718 6565.9 -40284 -40284 0.35878 1.4232 -0.13121 3567.9 2023-02-20 01:28:22,379 INFO [main.py:643]
{rank 0/100} MD step = 2200 step time: 00:00:00.018128 Performance: 507.517 ns/day 0.047 hours/ns 29.370 steps/s 2023-02-20 01:28:23,483 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 59.389 -33616 6509.1 -40125 -40125 0.35848 1.4241 -0.13208 3755.1 2023-02-20 01:28:25,383 INFO [main.py:643]
{rank 0/100} MD step = 2300 step time: 00:00:00.018215 Performance: 510.126 ns/day 0.047 hours/ns 29.521 steps/s 2023-02-20 01:28:26,454 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 59.955 -33545 6571.1 -40116 -40116 0.35993 1.4263 -0.13142 3969 2023-02-20 01:28:28,456 INFO [main.py:643]
{rank 0/100} MD step = 2400 step time: 00:00:00.018088 Performance: 512.104 ns/day 0.047 hours/ns 29.636 steps/s 2023-02-20 01:28:29,527 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 59.646 -33547 6537.3 -40084 -40084 0.35932 1.4266 -0.13079 4124 2023-02-20 01:28:31,485 INFO [main.py:643]
{rank 0/100} MD step = 2500 step time: 00:00:00.021004 Performance: 514.210 ns/day 0.047 hours/ns 29.758 steps/s 2023-02-20 01:28:32,497 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 60.506 -33379 6631.5 -40010 -40010 0.35812 1.4268 -0.13396 4331.1 2023-02-20 01:28:34,554 INFO [main.py:643]
{rank 0/100} MD step = 2600 step time: 00:00:00.018140 Performance: 515.929 ns/day 0.047 hours/ns 29.857 steps/s 2023-02-20 01:28:35,691 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 59.77 -33529 6550.9 -40079 -40079 0.35695 1.4298 -0.13441 4485.7 2023-02-20 01:28:37,571 INFO [main.py:643]
{rank 0/100} MD step = 2700 step time: 00:00:00.018368 Performance: 517.831 ns/day 0.046 hours/ns 29.967 steps/s 2023-02-20 01:28:38,679 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 59.79 -33546 6553.1 -40099 -40099 0.35819 1.4304 -0.1341 4638.8 2023-02-20 01:28:40,657 INFO [main.py:643]
{rank 0/100} MD step = 2800 step time: 00:00:00.019964 Performance: 519.227 ns/day 0.046 hours/ns 30.048 steps/s 2023-02-20 01:28:41,926 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 59.265 -33665 6495.6 -40160 -40160 0.35802 1.4304 -0.13227 4805.2 2023-02-20 01:28:43,937 INFO [main.py:643]
{rank 0/100} MD step = 2900 step time: 00:00:00.018586 Performance: 519.488 ns/day 0.046 hours/ns 30.063 steps/s 2023-02-20 01:28:45,016 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 2900 580 59.949 -33483 6570.5 -40054 -40054 0.35674 1.43 -0.1333 5005.4 2023-02-20 01:28:47,003 INFO [main.py:643]
{rank 0/100} MD step = 3000 step time: 00:00:00.018148 Performance: 520.846 ns/day 0.046 hours/ns 30.142 steps/s 2023-02-20 01:28:48,110 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 3000 600 59.296 -33612 6498.9 -40111 -40111 0.35439 1.4314 -0.13238 5153.6 2023-02-20 01:28:50,076 INFO [main.py:643]
{rank 0/100} MD step = 3100 step time: 00:00:00.017934 Performance: 522.088 ns/day 0.046 hours/ns 30.213 steps/s 2023-02-20 01:28:51,367 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 59.691 -33489 6542.2 -40031 -40031 0.354 1.4336 -0.13289 5304.6 2023-02-20 01:28:53,238 INFO [main.py:643]
{rank 0/100} MD step = 3200 step time: 00:00:00.018205 Performance: 522.814 ns/day 0.046 hours/ns 30.255 steps/s 2023-02-20 01:28:54,489 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 59.524 -33578 6523.9 -40102 -40102 0.3537 1.4347 -0.1326 5465.2 2023-02-20 01:28:56,358 INFO [main.py:643]
{rank 0/100} MD step = 3300 step time: 00:00:00.017997 Performance: 523.704 ns/day 0.046 hours/ns 30.307 steps/s 2023-02-20 01:28:57,550 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 60.277 -33475 6606.4 -40082 -40082 0.35556 1.4356 -0.1314 5653.2 2023-02-20 01:28:59,537 INFO [main.py:643]
{rank 0/100} MD step = 3400 step time: 00:00:00.018086 Performance: 524.269 ns/day 0.046 hours/ns 30.340 steps/s 2023-02-20 01:29:00,684 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 60.65 -33500 6647.3 -40148 -40148 0.35625 1.4363 -0.13065 5820.5 2023-02-20 01:29:02,634 INFO [main.py:643]
{rank 0/100} MD step = 3500 step time: 00:00:00.018178 Performance: 525.175 ns/day 0.046 hours/ns 30.392 steps/s 2023-02-20 01:29:04,236 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 59.752 -33498 6548.9 -40047 -40047 0.35606 1.4375 -0.13064 6033.9 2023-02-20 01:29:06,066 INFO [main.py:643]
{rank 0/100} MD step = 3600 step time: 00:00:00.018615 Performance: 524.544 ns/day 0.046 hours/ns 30.356 steps/s 2023-02-20 01:29:07,229 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 59.048 -33608 6471.7 -40080 -40080 0.35599 1.4406 -0.13142 6191.3 2023-02-20 01:29:09,227 INFO [main.py:643]
{rank 0/100} MD step = 3700 step time: 00:00:00.018952 Performance: 525.121 ns/day 0.046 hours/ns 30.389 steps/s 2023-02-20 01:29:10,280 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 60.019 -33492 6578.2 -40070 -40070 0.35572 1.4422 -0.12957 6365.6 2023-02-20 01:29:12,251 INFO [main.py:643]
{rank 0/100} MD step = 3800 step time: 00:00:00.018232 Performance: 526.242 ns/day 0.046 hours/ns 30.454 steps/s 2023-02-20 01:29:13,372 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 60.219 -33537 6600.1 -40137 -40137 0.35718 1.4428 -0.12959 6502.2 2023-02-20 01:29:15,315 INFO [main.py:643]
{rank 0/100} MD step = 3900 step time: 00:00:00.018300 Performance: 527.145 ns/day 0.046 hours/ns 30.506 steps/s 2023-02-20 01:29:16,343 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 60.44 -33544 6624.3 -40168 -40168 0.35686 1.4435 -0.12953 6656.7 2023-02-20 01:29:18,312 INFO [main.py:643]
{rank 0/100} MD step = 4000 step time: 00:00:00.017963 Performance: 528.277 ns/day 0.045 hours/ns 30.572 steps/s 2023-02-20 01:29:19,379 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 59.723 -33697 6545.8 -40243 -40243 0.35772 1.4428 -0.13098 6843.7 2023-02-20 01:29:21,362 INFO [main.py:643]
{rank 0/100} MD step = 4100 step time: 00:00:00.019112 Performance: 529.148 ns/day 0.045 hours/ns 30.622 steps/s 2023-02-20 01:29:22,567 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 4100 820 59.916 -33582 6566.9 -40149 -40149 0.35648 1.4453 -0.13071 7052.6 2023-02-20 01:29:24,448 INFO [main.py:643]
{rank 0/100} MD step = 4200 step time: 00:00:00.017986 Performance: 529.843 ns/day 0.045 hours/ns 30.662 steps/s 2023-02-20 01:29:25,651 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 60.096 -33548 6586.6 -40134 -40134 0.35424 1.4464 -0.13144 7239.2 2023-02-20 01:29:27,535 INFO [main.py:643]
{rank 0/100} MD step = 4300 step time: 00:00:00.018186 Performance: 530.504 ns/day 0.045 hours/ns 30.700 steps/s 2023-02-20 01:29:31,794 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 59.142 -33667 6482.1 -40149 -40149 0.35282 1.4482 -0.13157 7431 2023-02-20 01:29:33,751 INFO [main.py:643]
{rank 0/100} MD step = 4400 step time: 00:00:00.017876 Performance: 519.776 ns/day 0.046 hours/ns 30.080 steps/s 2023-02-20 01:29:35,579 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 4400 880 59.889 -33559 6563.9 -40123 -40123 0.35036 1.4499 -0.13214 7599 2023-02-20 01:29:37,556 INFO [main.py:643]
{rank 0/100} MD step = 4500 step time: 00:00:00.018046 Performance: 518.111 ns/day 0.046 hours/ns 29.983 steps/s 2023-02-20 01:29:38,685 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 4500 900 60.384 -33518 6618.1 -40136 -40136 0.35166 1.4502 -0.13016 7773.8 2023-02-20 01:29:40,662 INFO [main.py:643]
{rank 0/100} MD step = 4600 step time: 00:00:00.018101 Performance: 518.886 ns/day 0.046 hours/ns 30.028 steps/s 2023-02-20 01:29:41,886 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 60.098 -33506 6586.8 -40093 -40093 0.35215 1.4526 -0.13044 7962.1 2023-02-20 01:29:43,750 INFO [main.py:643]
{rank 0/100} MD step = 4700 step time: 00:00:00.018106 Performance: 519.691 ns/day 0.046 hours/ns 30.075 steps/s 2023-02-20 01:29:44,991 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 60.248 -33530 6603.2 -40133 -40133 0.35011 1.454 -0.13199 8117.1 2023-02-20 01:29:46,840 INFO [main.py:643]
{rank 0/100} MD step = 4800 step time: 00:00:00.017971 Performance: 520.455 ns/day 0.046 hours/ns 30.119 steps/s 2023-02-20 01:29:48,216 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 60.409 -33616 6620.9 -40237 -40237 0.35103 1.4546 -0.13134 8268.5 2023-02-20 01:29:50,123 INFO [main.py:643]
{rank 0/100} MD step = 4900 step time: 00:00:00.018257 Performance: 520.575 ns/day 0.046 hours/ns 30.126 steps/s 2023-02-20 01:29:51,218 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 59.237 -33588 6492.5 -40080 -40080 0.35133 1.4561 -0.13154 8427.7 2023-02-20 01:29:53,137 INFO [main.py:643]
{rank 0/100} MD step = 5000 step time: 00:00:00.018000 Performance: 521.534 ns/day 0.046 hours/ns 30.181 steps/s 2023-02-20 01:29:54,319 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 60.244 -33458 6602.8 -40060 -40060 0.35043 1.4585 -0.13205 8599.9 2023-02-20 01:29:56,283 INFO [main.py:643]
{rank 0/100} MD step = 5100 step time: 00:00:00.018212 Performance: 522.051 ns/day 0.046 hours/ns 30.211 steps/s 2023-02-20 01:29:57,429 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 59.143 -33752 6482.1 -40234 -40234 0.35044 1.4573 -0.13258 8773 2023-02-20 01:29:59,425 INFO [main.py:643]
{rank 0/100} MD step = 5200 step time: 00:00:00.019000 Performance: 522.563 ns/day 0.046 hours/ns 30.241 steps/s 2023-02-20 01:30:00,662 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 59.572 -33640 6529.2 -40169 -40169 0.34886 1.4584 -0.13198 8938 2023-02-20 01:30:02,532 INFO [main.py:643]
{rank 0/100} MD step = 5300 step time: 00:00:00.018102 Performance: 523.160 ns/day 0.046 hours/ns 30.275 steps/s 2023-02-20 01:30:04,698 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 59.925 -33516 6567.9 -40084 -40084 0.35111 1.4598 -0.13131 9111.7 2023-02-20 01:30:06,566 INFO [main.py:643]
{rank 0/100} MD step = 5400 step time: 00:00:00.019399 Performance: 521.023 ns/day 0.046 hours/ns 30.152 steps/s 2023-02-20 01:30:07,605 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 60.712 -33483 6654.1 -40137 -40137 0.35288 1.4616 -0.13239 9278.8 2023-02-20 01:30:09,647 INFO [main.py:643]
{rank 0/100} MD step = 5500 step time: 00:00:00.018126 Performance: 521.697 ns/day 0.046 hours/ns 30.191 steps/s 2023-02-20 01:30:10,838 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 60.37 -33502 6616.6 -40119 -40119 0.35264 1.4624 -0.13344 9453.3 2023-02-20 01:30:12,993 INFO [main.py:643]
{rank 0/100} MD step = 5600 step time: 00:00:00.023418 Performance: 521.601 ns/day 0.046 hours/ns 30.185 steps/s 2023-02-20 01:30:14,095 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 59.924 -33544 6567.7 -40112 -40112 0.35204 1.463 -0.13366 9620.7 2023-02-20 01:30:16,073 INFO [main.py:643]
{rank 0/100} MD step = 5700 step time: 00:00:00.018365 Performance: 522.247 ns/day 0.046 hours/ns 30.223 steps/s 2023-02-20 01:30:17,211 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 58.871 -33626 6452.3 -40079 -40079 0.35358 1.4633 -0.13201 9769.9 2023-02-20 01:30:19,144 INFO [main.py:643]
{rank 0/100} MD step = 5800 step time: 00:00:00.018554 Performance: 522.895 ns/day 0.046 hours/ns 30.260 steps/s 2023-02-20 01:30:20,309 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 60.787 -33532 6662.3 -40195 -40195 0.35434 1.465 -0.13159 9942.7 2023-02-20 01:30:22,189 INFO [main.py:643]
{rank 0/100} MD step = 5900 step time: 00:00:00.017904 Performance: 523.591 ns/day 0.046 hours/ns 30.300 steps/s 2023-02-20 01:30:23,393 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 59.438 -33692 6514.4 -40207 -40207 0.35366 1.4669 -0.13084 10075 2023-02-20 01:30:25,251 INFO [main.py:643]
{rank 0/100} MD step = 6000 step time: 00:00:00.019412 Performance: 524.223 ns/day 0.046 hours/ns 30.337 steps/s 2023-02-20 01:30:26,483 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 6000 1200 60.341 -33569 6613.4 -40182 -40182 0.35272 1.469 -0.13006 10200 2023-02-20 01:30:28,436 INFO [main.py:643]
{rank 0/100} MD step = 6100 step time: 00:00:00.017998 Performance: 524.511 ns/day 0.046 hours/ns 30.354 steps/s 2023-02-20 01:30:29,651 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 6100 1220 60.194 -33554 6597.3 -40151 -40151 0.3532 1.4697 -0.13029 10387 2023-02-20 01:30:31,526 INFO [main.py:643]
{rank 0/100} MD step = 6200 step time: 00:00:00.018139 Performance: 525.036 ns/day 0.046 hours/ns 30.384 steps/s 2023-02-20 01:30:32,608 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 60.082 -33489 6585 -40074 -40074 0.35389 1.4708 -0.1301 10563 2023-02-20 01:30:34,583 INFO [main.py:643]
{rank 0/100} MD step = 6300 step time: 00:00:00.018035 Performance: 525.632 ns/day 0.046 hours/ns 30.419 steps/s 2023-02-20 01:30:35,816 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 60.508 -33523 6631.8 -40155 -40155 0.35349 1.4711 -0.13022 10719 2023-02-20 01:30:37,707 INFO [main.py:643]
{rank 0/100} MD step = 6400 step time: 00:00:00.018125 Performance: 526.040 ns/day 0.046 hours/ns 30.442 steps/s 2023-02-20 01:30:38,998 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 61.139 -33438 6700.9 -40139 -40139 0.3525 1.4728 -0.12973 10888 2023-02-20 01:30:40,921 INFO [main.py:643]
{rank 0/100} MD step = 6500 step time: 00:00:00.018581 Performance: 526.214 ns/day 0.046 hours/ns 30.452 steps/s 2023-02-20 01:30:42,070 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 60.901 -33480 6674.9 -40155 -40155 0.35308 1.4737 -0.12833 11073 2023-02-20 01:30:44,012 INFO [main.py:643]
{rank 0/100} MD step = 6600 step time: 00:00:00.018605 Performance: 526.682 ns/day 0.046 hours/ns 30.479 steps/s 2023-02-20 01:30:45,224 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 59.309 -33654 6500.3 -40154 -40154 0.35178 1.473 -0.12854 11213 2023-02-20 01:30:47,168 INFO [main.py:643]
{rank 0/100} MD step = 6700 step time: 00:00:00.018314 Performance: 526.982 ns/day 0.046 hours/ns 30.497 steps/s 2023-02-20 01:30:48,348 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 59.927 -33474 6568 -40042 -40042 0.35149 1.4756 -0.12793 11417 2023-02-20 01:30:50,280 INFO [main.py:643]
{rank 0/100} MD step = 6800 step time: 00:00:00.017932 Performance: 527.377 ns/day 0.046 hours/ns 30.520 steps/s 2023-02-20 01:30:51,013 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 60.339 -33320 6613.3 -39933 -39933 0.3524 1.4751 -0.12874 11618 2023-02-20 01:30:53,405 INFO [main.py:643]
{rank 0/100} MD step = 6900 step time: 00:00:00.018945 Performance: 527.731 ns/day 0.045 hours/ns 30.540 steps/s 2023-02-20 01:30:54,658 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 59.981 -33513 6574 -40087 -40087 0.35165 1.4755 -0.12921 11777 2023-02-20 01:30:56,506 INFO [main.py:643]
{rank 0/100} MD step = 7000 step time: 00:00:00.017841 Performance: 528.131 ns/day 0.045 hours/ns 30.563 steps/s 2023-02-20 01:30:57,743 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 59.036 -33678 6470.4 -40148 -40148 0.35209 1.4769 -0.12992 11916 2023-02-20 01:30:59,611 INFO [main.py:643]
{rank 0/100} MD step = 7100 step time: 00:00:00.018769 Performance: 528.512 ns/day 0.045 hours/ns 30.585 steps/s 2023-02-20 01:31:00,759 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 7100 1420 60.174 -33544 6595.2 -40139 -40139 0.35236 1.4785 -0.13097 12074 2023-02-20 01:31:02,676 INFO [main.py:643]
{rank 0/100} MD step = 7200 step time: 00:00:00.018760 Performance: 528.971 ns/day 0.045 hours/ns 30.612 steps/s 2023-02-20 01:31:03,821 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 7200 1440 60.533 -33456 6634.5 -40090 -40090 0.35232 1.4798 -0.13035 12274 2023-02-20 01:31:05,693 INFO [main.py:643]
{rank 0/100} MD step = 7300 step time: 00:00:00.018553 Performance: 529.526 ns/day 0.045 hours/ns 30.644 steps/s 2023-02-20 01:31:06,981 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 60.187 -33478 6596.5 -40075 -40075 0.3516 1.4825 -0.13216 12436 2023-02-20 01:31:08,862 INFO [main.py:643]
{rank 0/100} MD step = 7400 step time: 00:00:00.018385 Performance: 529.731 ns/day 0.045 hours/ns 30.656 steps/s 2023-02-20 01:31:09,948 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 7400 1480 59.933 -33647 6568.8 -40216 -40216 0.34924 1.4827 -0.13085 12583 2023-02-20 01:31:11,889 INFO [main.py:643]
{rank 0/100} MD step = 7500 step time: 00:00:00.018195 Performance: 530.240 ns/day 0.045 hours/ns 30.685 steps/s 2023-02-20 01:31:13,051 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 7500 1500 60.407 -33500 6620.7 -40121 -40121 0.34733 1.4846 -0.13131 12790 2023-02-20 01:31:15,039 INFO [main.py:643]
{rank 0/100} MD step = 7600 step time: 00:00:00.018621 Performance: 530.475 ns/day 0.045 hours/ns 30.699 steps/s 2023-02-20 01:31:16,240 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 7600 1520 59.087 -33574 6476 -40050 -40050 0.34588 1.4874 -0.13095 12968 2023-02-20 01:31:18,193 INFO [main.py:643]
{rank 0/100} MD step = 7700 step time: 00:00:00.018184 Performance: 530.693 ns/day 0.045 hours/ns 30.711 steps/s 2023-02-20 01:31:19,399 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 59.598 -33568 6532.1 -40100 -40100 0.34573 1.4865 -0.13163 13122 2023-02-20 01:31:21,293 INFO [main.py:643]
{rank 0/100} MD step = 7800 step time: 00:00:00.018097 Performance: 531.019 ns/day 0.045 hours/ns 30.730 steps/s 2023-02-20 01:31:22,465 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 59.949 -33573 6570.5 -40143 -40143 0.34625 1.4874 -0.13187 13274 2023-02-20 01:31:24,458 INFO [main.py:643]
{rank 0/100} MD step = 7900 step time: 00:00:00.018171 Performance: 531.204 ns/day 0.045 hours/ns 30.741 steps/s 2023-02-20 01:31:25,693 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 59.525 -33591 6524 -40115 -40115 0.34454 1.4895 -0.13022 13436 2023-02-20 01:31:27,529 INFO [main.py:643]
{rank 0/100} MD step = 8000 step time: 00:00:00.018067 Performance: 531.576 ns/day 0.045 hours/ns 30.762 steps/s 2023-02-20 01:31:28,667 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 59.339 -33486 6503.7 -39990 -39990 0.34333 1.4904 -0.13065 13615 2023-02-20 01:31:30,624 INFO [main.py:643]
{rank 0/100} MD step = 8100 step time: 00:00:00.018237 Performance: 531.889 ns/day 0.045 hours/ns 30.781 steps/s 2023-02-20 01:31:31,880 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 60.399 -33570 6619.8 -40190 -40190 0.34291 1.4938 -0.13085 13769 2023-02-20 01:31:33,720 INFO [main.py:643]
{rank 0/100} MD step = 8200 step time: 00:00:00.019970 Performance: 532.195 ns/day 0.045 hours/ns 30.798 steps/s 2023-02-20 01:31:34,958 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 59.758 -33645 6549.5 -40195 -40195 0.34286 1.4956 -0.13024 13957 2023-02-20 01:31:36,858 INFO [main.py:643]
{rank 0/100} MD step = 8300 step time: 00:00:00.017833 Performance: 532.411 ns/day 0.045 hours/ns 30.811 steps/s 2023-02-20 01:31:38,007 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 8300 1660 60.588 -33567 6640.5 -40208 -40208 0.34411 1.4968 -0.13001 14122 2023-02-20 01:31:39,946 INFO [main.py:643]
{rank 0/100} MD step = 8400 step time: 00:00:00.018403 Performance: 532.718 ns/day 0.045 hours/ns 30.829 steps/s 2023-02-20 01:31:41,161 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 60.304 -33643 6609.4 -40253 -40253 0.34455 1.4981 -0.12865 14291 2023-02-20 01:31:43,048 INFO [main.py:643]
{rank 0/100} MD step = 8500 step time: 00:00:00.017916 Performance: 532.991 ns/day 0.045 hours/ns 30.844 steps/s 2023-02-20 01:31:44,453 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 59.757 -33535 6549.5 -40084 -40084 0.34543 1.4987 -0.12782 14495 2023-02-20 01:31:46,339 INFO [main.py:643]
{rank 0/100} MD step = 8600 step time: 00:00:00.018061 Performance: 532.899 ns/day 0.045 hours/ns 30.839 steps/s 2023-02-20 01:31:47,534 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 60.888 -33358 6673.4 -40031 -40031 0.34345 1.5001 -0.12914 14670 2023-02-20 01:31:49,527 INFO [main.py:643]
{rank 0/100} MD step = 8700 step time: 00:00:00.018145 Performance: 533.002 ns/day 0.045 hours/ns 30.845 steps/s 2023-02-20 01:31:50,723 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 59.886 -33476 6563.6 -40040 -40040 0.34159 1.5033 -0.13045 14863 2023-02-20 01:31:52,662 INFO [main.py:643]
{rank 0/100} MD step = 8800 step time: 00:00:00.018851 Performance: 533.202 ns/day 0.045 hours/ns 30.857 steps/s 2023-02-20 01:31:53,951 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 59.903 -33516 6565.5 -40081 -40081 0.34091 1.505 -0.13089 15014 2023-02-20 01:31:56,075 INFO [main.py:643]
{rank 0/100} MD step = 8900 step time: 00:00:00.020706 Performance: 532.883 ns/day 0.045 hours/ns 30.838 steps/s 2023-02-20 01:31:57,359 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 60.853 -33643 6669.6 -40312 -40312 0.33983 1.5075 -0.13168 15154 2023-02-20 01:31:59,221 INFO [main.py:643]
{rank 0/100} MD step = 9000 step time: 00:00:00.018027 Performance: 533.060 ns/day 0.045 hours/ns 30.848 steps/s 2023-02-20 01:32:00,524 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 59.055 -33633 6472.5 -40105 -40105 0.34086 1.5093 -0.1317 15362 2023-02-20 01:32:02,426 INFO [main.py:643]
{rank 0/100} MD step = 9100 step time: 00:00:00.017978 Performance: 533.126 ns/day 0.045 hours/ns 30.852 steps/s 2023-02-20 01:32:03,684 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 60.501 -33542 6631 -40173 -40173 0.34276 1.5127 -0.13146 15516 2023-02-20 01:32:05,649 INFO [main.py:643]
{rank 0/100} MD step = 9200 step time: 00:00:00.024109 Performance: 533.160 ns/day 0.045 hours/ns 30.854 steps/s 2023-02-20 01:32:06,877 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 58.663 -33623 6429.5 -40052 -40052 0.34082 1.5152 -0.13084 15689 2023-02-20 01:32:08,804 INFO [main.py:643]
{rank 0/100} MD step = 9300 step time: 00:00:00.018414 Performance: 533.311 ns/day 0.045 hours/ns 30.863 steps/s 2023-02-20 01:32:10,338 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 61.335 -33314 6722.4 -40037 -40037 0.34097 1.5167 -0.13024 15875 2023-02-20 01:32:12,333 INFO [main.py:643]
{rank 0/100} MD step = 9400 step time: 00:00:00.018125 Performance: 532.806 ns/day 0.045 hours/ns 30.834 steps/s 2023-02-20 01:32:13,558 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 60.906 -33426 6675.3 -40101 -40101 0.34156 1.5184 -0.13163 16033 2023-02-20 01:32:15,513 INFO [main.py:643]
{rank 0/100} MD step = 9500 step time: 00:00:00.018193 Performance: 532.916 ns/day 0.045 hours/ns 30.840 steps/s 2023-02-20 01:32:16,736 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 59.845 -33455 6559.1 -40014 -40014 0.34231 1.5211 -0.13144 16198 2023-02-20 01:32:18,675 INFO [main.py:643]
{rank 0/100} MD step = 9600 step time: 00:00:00.019717 Performance: 533.053 ns/day 0.045 hours/ns 30.848 steps/s 2023-02-20 01:32:19,887 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 59.912 -33594 6566.4 -40161 -40161 0.3389 1.5231 -0.13085 16356 2023-02-20 01:32:21,863 INFO [main.py:643]
{rank 0/100} MD step = 9700 step time: 00:00:00.018255 Performance: 533.144 ns/day 0.045 hours/ns 30.853 steps/s 2023-02-20 01:32:23,081 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 59.382 -33639 6508.3 -40148 -40148 0.33838 1.5248 -0.13121 16541 2023-02-20 01:32:24,934 INFO [main.py:643]
{rank 0/100} MD step = 9800 step time: 00:00:00.018330 Performance: 533.430 ns/day 0.045 hours/ns 30.870 steps/s 2023-02-20 01:32:26,104 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 59.964 -33591 6572.2 -40163 -40163 0.33568 1.5271 -0.13041 16694 2023-02-20 01:32:28,054 INFO [main.py:643]
{rank 0/100} MD step = 9900 step time: 00:00:00.018887 Performance: 533.629 ns/day 0.045 hours/ns 30.881 steps/s 2023-02-20 01:32:29,651 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 9900 1980 59.315 -33686 6501 -40187 -40187 0.33566 1.5288 -0.13024 16903 2023-02-20 01:32:31,669 INFO [main.py:643]
{rank 0/100} MD step = 10000 step time: 00:00:00.018533 Performance: 533.008 ns/day 0.045 hours/ns 30.845 steps/s 2023-02-20 01:32:32,962 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 59.75 -33662 6548.6 -40211 -40211 0.33495 1.5326 -0.12948 17051 2023-02-20 01:32:34,816 INFO [main.py:643]
{rank 0/100} MD step = 10100 step time: 00:00:00.018111 Performance: 533.162 ns/day 0.045 hours/ns 30.854 steps/s 2023-02-20 01:32:36,011 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 59.904 -33522 6565.5 -40088 -40088 0.3335 1.5337 -0.12969 17237 2023-02-20 01:32:37,920 INFO [main.py:643]
{rank 0/100} MD step = 10200 step time: 00:00:00.021054 Performance: 533.384 ns/day 0.045 hours/ns 30.867 steps/s 2023-02-20 01:32:39,239 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 59.526 -33570 6524.1 -40094 -40094 0.33182 1.5365 -0.12913 17433 2023-02-20 01:32:41,079 INFO [main.py:643]
{rank 0/100} MD step = 10300 step time: 00:00:00.018027 Performance: 533.513 ns/day 0.045 hours/ns 30.875 steps/s 2023-02-20 01:32:42,399 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 60.266 -33509 6605.2 -40114 -40114 0.33164 1.5384 -0.12986 17613 2023-02-20 01:32:44,273 INFO [main.py:643]
{rank 0/100} MD step = 10400 step time: 00:00:00.019772 Performance: 533.584 ns/day 0.045 hours/ns 30.879 steps/s 2023-02-20 01:32:45,590 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 58.89 -33647 6454.4 -40101 -40101 0.32909 1.5388 -0.13073 17761 2023-02-20 01:32:47,447 INFO [main.py:643]
{rank 0/100} MD step = 10500 step time: 00:00:00.018171 Performance: 533.686 ns/day 0.045 hours/ns 30.885 steps/s 2023-02-20 01:32:48,244 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 61.184 -33337 6705.8 -40043 -40043 0.32754 1.5414 -0.13039 17965 2023-02-20 01:32:56,042 INFO [main.py:643]
{rank 0/100} MD step = 10600 step time: 00:00:00.018107 Performance: 525.484 ns/day 0.046 hours/ns 30.410 steps/s 2023-02-20 01:33:01,587 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 60.374 -33339 6617 -39956 -39956 0.32674 1.5422 -0.13086 18111 2023-02-20 01:33:03,452 INFO [main.py:643]
{rank 0/100} MD step = 10700 step time: 00:00:00.017994 Performance: 519.401 ns/day 0.046 hours/ns 30.058 steps/s 2023-02-20 01:33:05,121 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 60.314 -33584 6610.5 -40195 -40195 0.32771 1.543 -0.13061 18282 2023-02-20 01:33:07,034 INFO [main.py:643]
{rank 0/100} MD step = 10800 step time: 00:00:00.018327 Performance: 519.032 ns/day 0.046 hours/ns 30.037 steps/s 2023-02-20 01:33:08,168 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 10800 2160 60.683 -33424 6651 -40075 -40075 0.32962 1.5442 -0.13117 18460 2023-02-20 01:33:10,137 INFO [main.py:643]
{rank 0/100} MD step = 10900 step time: 00:00:00.018273 Performance: 519.356 ns/day 0.046 hours/ns 30.055 steps/s 2023-02-20 01:33:11,289 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 59.644 -33625 6537 -40162 -40162 0.32957 1.5443 -0.12961 18606 2023-02-20 01:33:13,222 INFO [main.py:643]
{rank 0/100} MD step = 11000 step time: 00:00:00.018040 Performance: 519.700 ns/day 0.046 hours/ns 30.075 steps/s 2023-02-20 01:33:14,403 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 60.078 -33410 6584.6 -39994 -39994 0.32865 1.546 -0.12959 18825 2023-02-20 01:33:16,372 INFO [main.py:643]
{rank 0/100} MD step = 11100 step time: 00:00:00.018248 Performance: 519.946 ns/day 0.046 hours/ns 30.089 steps/s 2023-02-20 01:33:17,700 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 59.743 -33635 6548 -40183 -40183 0.32677 1.5451 -0.12892 18965 2023-02-20 01:33:19,597 INFO [main.py:643]
{rank 0/100} MD step = 11200 step time: 00:00:00.018452 Performance: 520.083 ns/day 0.046 hours/ns 30.097 steps/s 2023-02-20 01:33:20,834 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 59.871 -33586 6562 -40148 -40148 0.32705 1.5461 -0.12945 19165 2023-02-20 01:33:22,713 INFO [main.py:643]
{rank 0/100} MD step = 11300 step time: 00:00:00.019162 Performance: 520.370 ns/day 0.046 hours/ns 30.114 steps/s 2023-02-20 01:33:23,895 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 11300 2260 59.489 -33596 6520.1 -40117 -40117 0.32707 1.5471 -0.1301 19328 2023-02-20 01:33:25,798 INFO [main.py:643]
{rank 0/100} MD step = 11400 step time: 00:00:00.018813 Performance: 520.695 ns/day 0.046 hours/ns 30.133 steps/s 2023-02-20 01:33:26,551 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 60.171 -33501 6594.9 -40096 -40096 0.32693 1.5476 -0.12904 19491 2023-02-20 01:33:28,918 INFO [main.py:643]
{rank 0/100} MD step = 11500 step time: 00:00:00.018413 Performance: 520.965 ns/day 0.046 hours/ns 30.148 steps/s 2023-02-20 01:33:30,070 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 11500 2300 60.027 -33523 6579 -40102 -40102 0.32558 1.5503 -0.12957 19660 2023-02-20 01:33:31,986 INFO [main.py:643]
{rank 0/100} MD step = 11600 step time: 00:00:00.018048 Performance: 521.302 ns/day 0.046 hours/ns 30.168 steps/s 2023-02-20 01:33:33,343 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 59.373 -33648 6507.3 -40155 -40155 0.32467 1.5507 -0.12875 19801 2023-02-20 01:33:35,229 INFO [main.py:643]
{rank 0/100} MD step = 11700 step time: 00:00:00.017934 Performance: 521.399 ns/day 0.046 hours/ns 30.174 steps/s 2023-02-20 01:33:36,439 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 60.504 -33550 6631.3 -40181 -40181 0.32262 1.5539 -0.12724 19956 2023-02-20 01:33:38,323 INFO [main.py:643]
{rank 0/100} MD step = 11800 step time: 00:00:00.018648 Performance: 521.692 ns/day 0.046 hours/ns 30.191 steps/s 2023-02-20 01:33:39,578 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 59.465 -33461 6517.5 -39978 -39978 0.32238 1.554 -0.12765 20174 2023-02-20 01:33:41,486 INFO [main.py:643]
{rank 0/100} MD step = 11900 step time: 00:00:00.018827 Performance: 521.891 ns/day 0.046 hours/ns 30.202 steps/s 2023-02-20 01:33:42,921 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 59.032 -33439 6470 -39909 -39909 0.32068 1.5543 -0.12801 20357 2023-02-20 01:33:44,849 INFO [main.py:643]
{rank 0/100} MD step = 12000 step time: 00:00:00.018102 Performance: 521.822 ns/day 0.046 hours/ns 30.198 steps/s 2023-02-20 01:33:46,159 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 60.707 -33554 6653.6 -40208 -40208 0.32035 1.5547 -0.12819 20471 2023-02-20 01:33:48,111 INFO [main.py:643]
{rank 0/100} MD step = 12100 step time: 00:00:00.018236 Performance: 521.887 ns/day 0.046 hours/ns 30.202 steps/s 2023-02-20 01:33:49,327 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 12100 2420 60.295 -33575 6608.4 -40183 -40183 0.31842 1.5543 -0.12798 20655 2023-02-20 01:33:51,250 INFO [main.py:643]
{rank 0/100} MD step = 12200 step time: 00:00:00.018191 Performance: 522.109 ns/day 0.046 hours/ns 30.215 steps/s 2023-02-20 01:33:52,554 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 59.892 -33590 6564.2 -40154 -40154 0.3175 1.5544 -0.12681 20814 2023-02-20 01:33:54,422 INFO [main.py:643]
{rank 0/100} MD step = 12300 step time: 00:00:00.018049 Performance: 522.286 ns/day 0.046 hours/ns 30.225 steps/s 2023-02-20 01:33:55,609 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 59.332 -33524 6502.8 -40026 -40026 0.31807 1.5532 -0.12748 21023 2023-02-20 01:33:57,546 INFO [main.py:643]
{rank 0/100} MD step = 12400 step time: 00:00:00.018048 Performance: 522.521 ns/day 0.046 hours/ns 30.238 steps/s 2023-02-20 01:33:58,812 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 59.8 -33559 6554.1 -40113 -40113 0.31773 1.554 -0.12686 21190 2023-02-20 01:34:00,679 INFO [main.py:643]
{rank 0/100} MD step = 12500 step time: 00:00:00.017959 Performance: 522.740 ns/day 0.046 hours/ns 30.251 steps/s 2023-02-20 01:34:01,908 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 12500 2500 59.753 -33627 6549 -40176 -40176 0.31723 1.5562 -0.12691 21352 2023-02-20 01:34:03,813 INFO [main.py:643]
{rank 0/100} MD step = 12600 step time: 00:00:00.018421 Performance: 522.956 ns/day 0.046 hours/ns 30.264 steps/s 2023-02-20 01:34:05,095 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 59.995 -33591 6575.6 -40167 -40167 0.31447 1.5569 -0.12692 21521 2023-02-20 01:34:07,023 INFO [main.py:643]
{rank 0/100} MD step = 12700 step time: 00:00:00.017987 Performance: 523.074 ns/day 0.046 hours/ns 30.270 steps/s 2023-02-20 01:34:08,202 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 60.314 -33530 6610.5 -40140 -40140 0.31543 1.5583 -0.12626 21686 2023-02-20 01:34:10,232 INFO [main.py:643]
{rank 0/100} MD step = 12800 step time: 00:00:00.018453 Performance: 523.191 ns/day 0.046 hours/ns 30.277 steps/s 2023-02-20 01:34:11,490 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 60.244 -33428 6602.9 -40031 -40031 0.31571 1.5586 -0.12532 21875 2023-02-20 01:34:13,387 INFO [main.py:643]
{rank 0/100} MD step = 12900 step time: 00:00:00.018970 Performance: 523.372 ns/day 0.046 hours/ns 30.288 steps/s 2023-02-20 01:34:14,544 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 12900 2580 60.528 -33496 6633.9 -40130 -40130 0.31638 1.5595 -0.12509 22058 2023-02-20 01:34:16,540 INFO [main.py:643]
{rank 0/100} MD step = 13000 step time: 00:00:00.018170 Performance: 523.553 ns/day 0.046 hours/ns 30.298 steps/s 2023-02-20 01:34:17,755 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 59.208 -33696 6489.2 -40185 -40185 0.31595 1.5612 -0.12499 22211 2023-02-20 01:34:19,672 INFO [main.py:643]
{rank 0/100} MD step = 13100 step time: 00:00:00.018139 Performance: 523.758 ns/day 0.046 hours/ns 30.310 steps/s 2023-02-20 01:34:20,917 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 59.841 -33504 6558.6 -40063 -40063 0.31613 1.5626 -0.12603 22386 2023-02-20 01:34:22,784 INFO [main.py:643]
{rank 0/100} MD step = 13200 step time: 00:00:00.018942 Performance: 523.983 ns/day 0.046 hours/ns 30.323 steps/s 2023-02-20 01:34:23,991 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 60.199 -33478 6597.9 -40076 -40076 0.31457 1.564 -0.12717 22569 2023-02-20 01:34:25,875 INFO [main.py:643]
{rank 0/100} MD step = 13300 step time: 00:00:00.019076 Performance: 524.230 ns/day 0.046 hours/ns 30.337 steps/s 2023-02-20 01:34:27,233 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 59.858 -33553 6560.5 -40113 -40113 0.31385 1.5657 -0.12713 22745 2023-02-20 01:34:29,117 INFO [main.py:643]
{rank 0/100} MD step = 13400 step time: 00:00:00.018257 Performance: 524.294 ns/day 0.046 hours/ns 30.341 steps/s 2023-02-20 01:34:30,356 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 60.29 -33506 6607.8 -40114 -40114 0.31492 1.5656 -0.12625 22914 2023-02-20 01:34:32,293 INFO [main.py:643]
{rank 0/100} MD step = 13500 step time: 00:00:00.018190 Performance: 524.436 ns/day 0.046 hours/ns 30.349 steps/s 2023-02-20 01:34:33,584 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 58.975 -33658 6463.8 -40122 -40122 0.31455 1.5668 -0.12688 23088 2023-02-20 01:34:35,535 INFO [main.py:643]
{rank 0/100} MD step = 13600 step time: 00:00:00.018144 Performance: 524.498 ns/day 0.046 hours/ns 30.353 steps/s 2023-02-20 01:34:36,894 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 60.534 -33390 6634.6 -40025 -40025 0.31284 1.5689 -0.12513 23224 2023-02-20 01:34:38,800 INFO [main.py:643]
{rank 0/100} MD step = 13700 step time: 00:00:00.018035 Performance: 524.533 ns/day 0.046 hours/ns 30.355 steps/s 2023-02-20 01:34:40,054 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 60.152 -33512 6592.7 -40104 -40104 0.31085 1.571 -0.12425 23360 2023-02-20 01:34:41,968 INFO [main.py:643]
{rank 0/100} MD step = 13800 step time: 00:00:00.018201 Performance: 524.678 ns/day 0.046 hours/ns 30.363 steps/s 2023-02-20 01:34:43,212 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 60.813 -33508 6665.2 -40173 -40173 0.31187 1.573 -0.12268 23512 2023-02-20 01:34:45,125 INFO [main.py:643]
{rank 0/100} MD step = 13900 step time: 00:00:00.018545 Performance: 524.834 ns/day 0.046 hours/ns 30.372 steps/s 2023-02-20 01:34:46,473 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 59.872 -33602 6562 -40164 -40164 0.31065 1.5748 -0.12285 23718 2023-02-20 01:34:48,338 INFO [main.py:643]
{rank 0/100} MD step = 14000 step time: 00:00:00.018357 Performance: 524.925 ns/day 0.046 hours/ns 30.378 steps/s 2023-02-20 01:34:49,626 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 60.272 -33580 6605.8 -40186 -40186 0.30988 1.5757 -0.12275 23879 2023-02-20 01:34:51,472 INFO [main.py:643]
{rank 0/100} MD step = 14100 step time: 00:00:00.018044 Performance: 525.103 ns/day 0.046 hours/ns 30.388 steps/s 2023-02-20 01:34:52,787 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 60.21 -33418 6599 -40017 -40017 0.30949 1.5788 -0.1219 24048 2023-02-20 01:34:54,652 INFO [main.py:643]
{rank 0/100} MD step = 14200 step time: 00:00:00.018067 Performance: 525.228 ns/day 0.046 hours/ns 30.395 steps/s 2023-02-20 01:34:55,924 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 14200 2840 60.801 -33483 6663.9 -40147 -40147 0.30927 1.5806 -0.12173 24219 2023-02-20 01:34:57,770 INFO [main.py:643]
{rank 0/100} MD step = 14300 step time: 00:00:00.018372 Performance: 525.420 ns/day 0.046 hours/ns 30.406 steps/s 2023-02-20 01:34:59,035 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 59.919 -33491 6567.2 -40058 -40058 0.3102 1.5825 -0.12201 24412 2023-02-20 01:35:00,858 INFO [main.py:643]
{rank 0/100} MD step = 14400 step time: 00:00:00.019113 Performance: 525.643 ns/day 0.046 hours/ns 30.419 steps/s 2023-02-20 01:35:02,117 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 14400 2880 59.774 -33586 6551.3 -40138 -40138 0.31025 1.5849 -0.12081 24562 2023-02-20 01:35:04,065 INFO [main.py:643]
{rank 0/100} MD step = 14500 step time: 00:00:00.018272 Performance: 525.731 ns/day 0.046 hours/ns 30.424 steps/s 2023-02-20 01:35:05,330 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 14500 2900 60.232 -33665 6601.5 -40266 -40266 0.30907 1.5866 -0.12138 24720 2023-02-20 01:35:07,167 INFO [main.py:643]
{rank 0/100} MD step = 14600 step time: 00:00:00.018204 Performance: 525.934 ns/day 0.046 hours/ns 30.436 steps/s 2023-02-20 01:35:08,266 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 59.48 -33551 6519.1 -40070 -40070 0.30741 1.5889 -0.12029 24951 2023-02-20 01:35:10,297 INFO [main.py:643]
{rank 0/100} MD step = 14700 step time: 00:00:00.017873 Performance: 526.103 ns/day 0.046 hours/ns 30.446 steps/s 2023-02-20 01:35:11,513 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 60.172 -33552 6594.9 -40146 -40146 0.30746 1.5911 -0.12258 25101 2023-02-20 01:35:13,424 INFO [main.py:643]
{rank 0/100} MD step = 14800 step time: 00:00:00.017772 Performance: 526.274 ns/day 0.046 hours/ns 30.456 steps/s 2023-02-20 01:35:14,542 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 59.752 -33435 6548.9 -39984 -39984 0.30529 1.594 -0.12119 25285 2023-02-20 01:35:16,541 INFO [main.py:643]
{rank 0/100} MD step = 14900 step time: 00:00:00.018223 Performance: 526.453 ns/day 0.046 hours/ns 30.466 steps/s 2023-02-20 01:35:17,828 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 59.819 -33426 6556.3 -39982 -39982 0.30462 1.5944 -0.12044 25492 2023-02-20 01:35:19,716 INFO [main.py:643]
{rank 0/100} MD step = 15000 step time: 00:00:00.018945 Performance: 526.568 ns/day 0.046 hours/ns 30.473 steps/s 2023-02-20 01:35:20,876 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 59.284 -33578 6497.6 -40076 -40076 0.30476 1.5972 -0.12199 25678 2023-02-20 01:35:22,821 INFO [main.py:643]
{rank 0/100} MD step = 15100 step time: 00:00:00.018029 Performance: 526.756 ns/day 0.046 hours/ns 30.484 steps/s 2023-02-20 01:35:24,042 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 60.206 -33533 6598.6 -40131 -40131 0.30548 1.5985 -0.12285 25822 2023-02-20 01:35:25,963 INFO [main.py:643]
{rank 0/100} MD step = 15200 step time: 00:00:00.018112 Performance: 526.902 ns/day 0.046 hours/ns 30.492 steps/s 2023-02-20 01:35:27,110 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 60.493 -33439 6630.1 -40069 -40069 0.30579 1.5998 -0.12433 25986 2023-02-20 01:35:29,081 INFO [main.py:643]
{rank 0/100} MD step = 15300 step time: 00:00:00.018757 Performance: 527.071 ns/day 0.046 hours/ns 30.502 steps/s 2023-02-20 01:35:30,230 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 60.306 -33483 6609.6 -40093 -40093 0.30731 1.5994 -0.12618 26129 2023-02-20 01:35:32,231 INFO [main.py:643]
{rank 0/100} MD step = 15400 step time: 00:00:00.018108 Performance: 527.206 ns/day 0.046 hours/ns 30.510 steps/s 2023-02-20 01:35:33,403 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 15400 3080 60.906 -33436 6675.3 -40111 -40111 0.30552 1.6013 -0.12705 26294 2023-02-20 01:35:35,359 INFO [main.py:643]
{rank 0/100} MD step = 15500 step time: 00:00:00.018016 Performance: 527.361 ns/day 0.046 hours/ns 30.519 steps/s 2023-02-20 01:35:36,566 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 59.394 -33665 6509.6 -40175 -40175 0.30547 1.6027 -0.12758 26493 2023-02-20 01:35:38,571 INFO [main.py:643]
{rank 0/100} MD step = 15600 step time: 00:00:00.018190 Performance: 527.428 ns/day 0.046 hours/ns 30.522 steps/s 2023-02-20 01:35:39,819 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 60.298 -33547 6608.7 -40156 -40156 0.30891 1.6021 -0.12702 26653 2023-02-20 01:35:41,810 INFO [main.py:643]
{rank 0/100} MD step = 15700 step time: 00:00:00.017940 Performance: 527.466 ns/day 0.046 hours/ns 30.525 steps/s 2023-02-20 01:35:42,618 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 60.637 -33488 6645.9 -40134 -40134 0.30703 1.6041 -0.12829 26842 2023-02-20 01:35:44,951 INFO [main.py:643]
{rank 0/100} MD step = 15800 step time: 00:00:00.018005 Performance: 527.604 ns/day 0.045 hours/ns 30.533 steps/s 2023-02-20 01:35:46,098 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 59.751 -33724 6548.8 -40273 -40273 0.30497 1.6057 -0.12951 26977 2023-02-20 01:35:48,076 INFO [main.py:643]
{rank 0/100} MD step = 15900 step time: 00:00:00.019270 Performance: 527.756 ns/day 0.045 hours/ns 30.541 steps/s 2023-02-20 01:35:49,318 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 59.613 -33681 6533.7 -40215 -40215 0.30424 1.6075 -0.13107 27169 2023-02-20 01:35:51,215 INFO [main.py:643]
{rank 0/100} MD step = 16000 step time: 00:00:00.017949 Performance: 527.892 ns/day 0.045 hours/ns 30.549 steps/s 2023-02-20 01:35:52,525 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 59.625 -33596 6534.9 -40131 -40131 0.30533 1.6106 -0.13258 27359 2023-02-20 01:35:54,363 INFO [main.py:643]
{rank 0/100} MD step = 16100 step time: 00:00:00.018234 Performance: 528.018 ns/day 0.045 hours/ns 30.557 steps/s 2023-02-20 01:35:56,054 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 16100 3220 59.664 -33497 6539.2 -40036 -40036 0.30592 1.6118 -0.13102 27548 2023-02-20 01:35:57,961 INFO [main.py:643]
{rank 0/100} MD step = 16200 step time: 00:00:00.020736 Performance: 527.694 ns/day 0.045 hours/ns 30.538 steps/s 2023-02-20 01:35:59,230 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 60.486 -33484 6629.3 -40114 -40114 0.30526 1.614 -0.13251 27723 2023-02-20 01:36:01,096 INFO [main.py:643]
{rank 0/100} MD step = 16300 step time: 00:00:00.018103 Performance: 527.832 ns/day 0.045 hours/ns 30.546 steps/s 2023-02-20 01:36:02,432 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 58.669 -33734 6430.2 -40164 -40164 0.30474 1.6172 -0.13462 27870 2023-02-20 01:36:04,339 INFO [main.py:643]
{rank 0/100} MD step = 16400 step time: 00:00:00.018385 Performance: 527.862 ns/day 0.045 hours/ns 30.548 steps/s 2023-02-20 01:36:05,580 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 16400 3280 60.04 -33573 6580.5 -40154 -40154 0.30314 1.6192 -0.1333 28038 2023-02-20 01:36:07,524 INFO [main.py:643]
{rank 0/100} MD step = 16500 step time: 00:00:00.018087 Performance: 527.949 ns/day 0.045 hours/ns 30.553 steps/s 2023-02-20 01:36:08,736 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 60.728 -33401 6655.9 -40057 -40057 0.30276 1.619 -0.13301 28225 2023-02-20 01:36:10,701 INFO [main.py:643]
{rank 0/100} MD step = 16600 step time: 00:00:00.018388 Performance: 528.042 ns/day 0.045 hours/ns 30.558 steps/s 2023-02-20 01:36:11,961 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 60.128 -33513 6590.1 -40103 -40103 0.30466 1.6205 -0.13541 28384 2023-02-20 01:36:13,820 INFO [main.py:643]
{rank 0/100} MD step = 16700 step time: 00:00:00.018131 Performance: 528.191 ns/day 0.045 hours/ns 30.567 steps/s 2023-02-20 01:36:15,147 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 60.035 -33535 6579.9 -40115 -40115 0.30367 1.6211 -0.13481 28580 2023-02-20 01:36:16,998 INFO [main.py:643]
{rank 0/100} MD step = 16800 step time: 00:00:00.017970 Performance: 528.281 ns/day 0.045 hours/ns 30.572 steps/s 2023-02-20 01:36:18,299 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 59.828 -33652 6557.2 -40209 -40209 0.30504 1.6229 -0.13471 28738 2023-02-20 01:36:20,244 INFO [main.py:643]
{rank 0/100} MD step = 16900 step time: 00:00:00.018007 Performance: 528.304 ns/day 0.045 hours/ns 30.573 steps/s 2023-02-20 01:36:21,580 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 59.177 -33657 6485.9 -40143 -40143 0.3044 1.6246 -0.1333 28916 2023-02-20 01:36:23,504 INFO [main.py:643]
{rank 0/100} MD step = 17000 step time: 00:00:00.018260 Performance: 528.315 ns/day 0.045 hours/ns 30.574 steps/s 2023-02-20 01:36:24,659 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 17000 3400 59.87 -33670 6561.8 -40232 -40232 0.30554 1.627 -0.13443 29068 2023-02-20 01:36:26,682 INFO [main.py:643]
{rank 0/100} MD step = 17100 step time: 00:00:00.018754 Performance: 528.403 ns/day 0.045 hours/ns 30.579 steps/s 2023-02-20 01:36:27,914 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 60.314 -33558 6610.5 -40168 -40168 0.30366 1.6306 -0.13544 29244 2023-02-20 01:36:29,828 INFO [main.py:643]
{rank 0/100} MD step = 17200 step time: 00:00:00.018174 Performance: 528.519 ns/day 0.045 hours/ns 30.586 steps/s 2023-02-20 01:36:31,121 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 17200 3440 59.271 -33686 6496.1 -40182 -40182 0.30408 1.6315 -0.13437 29433 2023-02-20 01:36:32,963 INFO [main.py:643]
{rank 0/100} MD step = 17300 step time: 00:00:00.018496 Performance: 528.644 ns/day 0.045 hours/ns 30.593 steps/s 2023-02-20 01:36:34,218 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 59.738 -33629 6547.4 -40177 -40177 0.30392 1.6326 -0.13506 29609 2023-02-20 01:36:36,073 INFO [main.py:643]
{rank 0/100} MD step = 17400 step time: 00:00:00.019637 Performance: 528.793 ns/day 0.045 hours/ns 30.601 steps/s 2023-02-20 01:36:37,279 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 60.151 -33633 6592.7 -40226 -40226 0.30539 1.6339 -0.13593 29757 2023-02-20 01:36:39,238 INFO [main.py:643]
{rank 0/100} MD step = 17500 step time: 00:00:00.018439 Performance: 528.887 ns/day 0.045 hours/ns 30.607 steps/s 2023-02-20 01:36:40,492 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 59.87 -33560 6561.8 -40122 -40122 0.30406 1.6353 -0.13578 29907 2023-02-20 01:36:42,403 INFO [main.py:643]
{rank 0/100} MD step = 17600 step time: 00:00:00.019371 Performance: 528.981 ns/day 0.045 hours/ns 30.612 steps/s 2023-02-20 01:36:43,554 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 59.237 -33634 6492.5 -40126 -40126 0.30269 1.6372 -0.13435 30069 2023-02-20 01:36:45,537 INFO [main.py:643]
{rank 0/100} MD step = 17700 step time: 00:00:00.017940 Performance: 529.103 ns/day 0.045 hours/ns 30.619 steps/s 2023-02-20 01:36:46,822 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 60.792 -33488 6662.8 -40151 -40151 0.30089 1.6385 -0.13526 30213 2023-02-20 01:36:48,701 INFO [main.py:643]
{rank 0/100} MD step = 17800 step time: 00:00:00.018179 Performance: 529.195 ns/day 0.045 hours/ns 30.625 steps/s 2023-02-20 01:36:49,937 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 60.305 -33544 6609.5 -40153 -40153 0.30041 1.642 -0.1378 30367 2023-02-20 01:36:51,813 INFO [main.py:643]
{rank 0/100} MD step = 17900 step time: 00:00:00.018935 Performance: 529.335 ns/day 0.045 hours/ns 30.633 steps/s 2023-02-20 01:36:53,175 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 60.085 -33621 6585.4 -40206 -40206 0.29983 1.6445 -0.13706 30568 2023-02-20 01:36:55,145 INFO [main.py:643]
{rank 0/100} MD step = 18000 step time: 00:00:00.018027 Performance: 529.273 ns/day 0.045 hours/ns 30.629 steps/s 2023-02-20 01:36:56,470 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 59.41 -33576 6511.4 -40087 -40087 0.30122 1.6453 -0.13732 30753 2023-02-20 01:36:58,313 INFO [main.py:643]
{rank 0/100} MD step = 18100 step time: 00:00:00.018024 Performance: 529.361 ns/day 0.045 hours/ns 30.634 steps/s 2023-02-20 01:36:59,088 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 18100 3620 59.994 -33547 6575.4 -40123 -40123 0.30047 1.6451 -0.13934 30924 2023-02-20 01:37:01,471 INFO [main.py:643]
{rank 0/100} MD step = 18200 step time: 00:00:00.018438 Performance: 529.455 ns/day 0.045 hours/ns 30.640 steps/s 2023-02-20 01:37:02,626 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 60.067 -33633 6583.4 -40217 -40217 0.30042 1.6467 -0.14037 31093 2023-02-20 01:37:04,668 INFO [main.py:643]
{rank 0/100} MD step = 18300 step time: 00:00:00.018615 Performance: 529.514 ns/day 0.045 hours/ns 30.643 steps/s 2023-02-20 01:37:05,937 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 60.024 -33594 6578.7 -40173 -40173 0.30038 1.6468 -0.14064 31272 2023-02-20 01:37:07,952 INFO [main.py:643]
{rank 0/100} MD step = 18400 step time: 00:00:00.021612 Performance: 529.496 ns/day 0.045 hours/ns 30.642 steps/s 2023-02-20 01:37:09,201 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 18400 3680 60.101 -33436 6587.1 -40023 -40023 0.29927 1.6474 -0.14109 31467 2023-02-20 01:37:11,081 INFO [main.py:643]
{rank 0/100} MD step = 18500 step time: 00:00:00.018229 Performance: 529.614 ns/day 0.045 hours/ns 30.649 steps/s 2023-02-20 01:37:12,347 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 60.644 -33489 6646.7 -40135 -40135 0.30184 1.6498 -0.14013 31633 2023-02-20 01:37:15,497 INFO [main.py:643]
{rank 0/100} MD step = 18600 step time: 00:00:00.018052 Performance: 528.610 ns/day 0.045 hours/ns 30.591 steps/s 2023-02-20 01:37:16,776 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 59.571 -33672 6529.1 -40201 -40201 0.30116 1.6525 -0.13876 31776 2023-02-20 01:37:18,764 INFO [main.py:643]
{rank 0/100} MD step = 18700 step time: 00:00:00.018106 Performance: 528.611 ns/day 0.045 hours/ns 30.591 steps/s 2023-02-20 01:37:20,030 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 59.247 -33678 6493.6 -40172 -40172 0.30131 1.6546 -0.13831 31930 2023-02-20 01:37:21,906 INFO [main.py:643]
{rank 0/100} MD step = 18800 step time: 00:00:00.018549 Performance: 528.720 ns/day 0.045 hours/ns 30.597 steps/s 2023-02-20 01:37:23,205 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 60.111 -33413 6588.3 -40001 -40001 0.30106 1.6559 -0.13787 32163 2023-02-20 01:37:25,094 INFO [main.py:643]
{rank 0/100} MD step = 18900 step time: 00:00:00.018318 Performance: 528.789 ns/day 0.045 hours/ns 30.601 steps/s 2023-02-20 01:37:26,288 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 60.105 -33618 6587.6 -40206 -40206 0.30088 1.6563 -0.13719 32312 2023-02-20 01:37:28,254 INFO [main.py:643]
{rank 0/100} MD step = 19000 step time: 00:00:00.018272 Performance: 528.881 ns/day 0.045 hours/ns 30.607 steps/s 2023-02-20 01:37:29,481 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 19000 3800 59.31 -33536 6500.5 -40036 -40036 0.30031 1.6564 -0.13724 32501 2023-02-20 01:37:31,394 INFO [main.py:643]
{rank 0/100} MD step = 19100 step time: 00:00:00.018349 Performance: 528.989 ns/day 0.045 hours/ns 30.613 steps/s 2023-02-20 01:37:32,677 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 59.89 -33534 6564 -40098 -40098 0.30101 1.6602 -0.13749 32669 2023-02-20 01:37:34,689 INFO [main.py:643]
{rank 0/100} MD step = 19200 step time: 00:00:00.020018 Performance: 528.965 ns/day 0.045 hours/ns 30.611 steps/s 2023-02-20 01:37:36,275 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 58.913 -33542 6456.9 -39999 -39999 0.30068 1.6617 -0.13764 32839 2023-02-20 01:37:38,228 INFO [main.py:643]
{rank 0/100} MD step = 19300 step time: 00:00:00.017863 Performance: 528.737 ns/day 0.045 hours/ns 30.598 steps/s 2023-02-20 01:37:39,410 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 59.156 -33684 6483.6 -40168 -40168 0.29804 1.664 -0.13848 32979 2023-02-20 01:37:41,439 INFO [main.py:643]
{rank 0/100} MD step = 19400 step time: 00:00:00.018225 Performance: 528.784 ns/day 0.045 hours/ns 30.601 steps/s 2023-02-20 01:37:42,943 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 60.063 -33628 6583 -40211 -40211 0.29619 1.6646 -0.13759 33178 2023-02-20 01:37:44,938 INFO [main.py:643]
{rank 0/100} MD step = 19500 step time: 00:00:00.018783 Performance: 528.592 ns/day 0.045 hours/ns 30.590 steps/s 2023-02-20 01:37:46,448 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 60.707 -33494 6653.6 -40147 -40147 0.2948 1.6673 -0.13763 33376 2023-02-20 01:37:48,346 INFO [main.py:643]
{rank 0/100} MD step = 19600 step time: 00:00:00.018565 Performance: 528.478 ns/day 0.045 hours/ns 30.583 steps/s 2023-02-20 01:37:49,563 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 60.025 -33586 6578.8 -40165 -40165 0.29663 1.6698 -0.13734 33524 2023-02-20 01:37:51,591 INFO [main.py:643]
{rank 0/100} MD step = 19700 step time: 00:00:00.018080 Performance: 528.499 ns/day 0.045 hours/ns 30.584 steps/s 2023-02-20 01:37:52,731 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 60.704 -33397 6653.3 -40051 -40051 0.29563 1.6722 -0.13654 33701 2023-02-20 01:37:54,733 INFO [main.py:643]
{rank 0/100} MD step = 19800 step time: 00:00:00.018252 Performance: 528.603 ns/day 0.045 hours/ns 30.590 steps/s 2023-02-20 01:37:56,026 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 59.891 -33505 6564.2 -40069 -40069 0.29497 1.6748 -0.13776 33897 2023-02-20 01:37:57,971 INFO [main.py:643]
{rank 0/100} MD step = 19900 step time: 00:00:00.022506 Performance: 528.628 ns/day 0.045 hours/ns 30.592 steps/s 2023-02-20 01:37:59,182 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 60.23 -33532 6601.3 -40133 -40133 0.29186 1.6767 -0.13638 34053 2023-02-20 01:38:01,173 INFO [main.py:643]
{rank 0/100} MD step = 20000 step time: 00:00:00.018186 Performance: 528.682 ns/day 0.045 hours/ns 30.595 steps/s 2023-02-20 01:38:02,448 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 59.9 -33544 6565.2 -40109 -40109 0.29223 1.6778 -0.13765 34220 2023-02-20 01:38:04,308 INFO [main.py:643]
{rank 0/100} MD step = 20100 step time: 00:00:00.018039 Performance: 528.790 ns/day 0.045 hours/ns 30.601 steps/s 2023-02-20 01:38:05,517 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 59.928 -33489 6568.2 -40057 -40057 0.29286 1.6779 -0.13829 34403 2023-02-20 01:38:07,473 INFO [main.py:643]
{rank 0/100} MD step = 20200 step time: 00:00:00.018125 Performance: 528.871 ns/day 0.045 hours/ns 30.606 steps/s 2023-02-20 01:38:08,888 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 60.242 -33445 6602.6 -40048 -40048 0.29263 1.68 -0.13846 34557 2023-02-20 01:38:10,786 INFO [main.py:643]
{rank 0/100} MD step = 20300 step time: 00:00:00.018127 Performance: 528.835 ns/day 0.045 hours/ns 30.604 steps/s 2023-02-20 01:38:12,052 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 60.166 -33662 6594.2 -40256 -40256 0.29158 1.6818 -0.13904 34699 2023-02-20 01:38:14,413 INFO [main.py:643]
{rank 0/100} MD step = 20400 step time: 00:00:00.018181 Performance: 528.550 ns/day 0.045 hours/ns 30.587 steps/s 2023-02-20 01:38:15,719 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 59.855 -33539 6560.2 -40099 -40099 0.29022 1.6833 -0.13819 34915 2023-02-20 01:38:17,575 INFO [main.py:643]
{rank 0/100} MD step = 20500 step time: 00:00:00.019457 Performance: 528.635 ns/day 0.045 hours/ns 30.592 steps/s 2023-02-20 01:38:18,793 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 59.678 -33598 6540.8 -40138 -40138 0.29117 1.6854 -0.13803 35059 2023-02-20 01:38:20,762 INFO [main.py:643]
{rank 0/100} MD step = 20600 step time: 00:00:00.018296 Performance: 528.700 ns/day 0.045 hours/ns 30.596 steps/s 2023-02-20 01:38:21,569 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 20600 4120 59.999 -33683 6576 -40259 -40259 0.29308 1.686 -0.13668 35226 2023-02-20 01:38:23,912 INFO [main.py:643]
{rank 0/100} MD step = 20700 step time: 00:00:00.018221 Performance: 528.792 ns/day 0.045 hours/ns 30.601 steps/s 2023-02-20 01:38:25,192 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 60.037 -33399 6580.1 -39979 -39979 0.28969 1.6877 -0.13654 35448 2023-02-20 01:38:27,170 INFO [main.py:643]
{rank 0/100} MD step = 20800 step time: 00:00:00.018705 Performance: 528.799 ns/day 0.045 hours/ns 30.602 steps/s 2023-02-20 01:38:28,493 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 60.236 -33493 6602 -40095 -40095 0.29092 1.6885 -0.13547 35615 2023-02-20 01:38:30,544 INFO [main.py:643]
{rank 0/100} MD step = 20900 step time: 00:00:00.018167 Performance: 528.717 ns/day 0.045 hours/ns 30.597 steps/s 2023-02-20 01:38:31,902 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 60.491 -33412 6629.9 -40042 -40042 0.28994 1.6898 -0.13534 35767 2023-02-20 01:38:33,756 INFO [main.py:643]
{rank 0/100} MD step = 21000 step time: 00:00:00.018500 Performance: 528.761 ns/day 0.045 hours/ns 30.600 steps/s 2023-02-20 01:38:34,962 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 59.84 -33537 6558.5 -40096 -40096 0.28915 1.6924 -0.13652 35917 2023-02-20 01:38:36,886 INFO [main.py:643]
{rank 0/100} MD step = 21100 step time: 00:00:00.018079 Performance: 528.867 ns/day 0.045 hours/ns 30.606 steps/s 2023-02-20 01:38:38,206 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 59.49 -33641 6520.2 -40162 -40162 0.28824 1.6929 -0.13751 36072 2023-02-20 01:38:40,137 INFO [main.py:643]
{rank 0/100} MD step = 21200 step time: 00:00:00.020007 Performance: 528.879 ns/day 0.045 hours/ns 30.606 steps/s 2023-02-20 01:38:41,347 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 21200 4240 59.318 -33643 6501.3 -40144 -40144 0.28866 1.696 -0.13704 36246 2023-02-20 01:38:43,377 INFO [main.py:643]
{rank 0/100} MD step = 21300 step time: 00:00:00.018471 Performance: 528.899 ns/day 0.045 hours/ns 30.608 steps/s 2023-02-20 01:38:44,175 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 60.269 -33510 6605.6 -40116 -40116 0.28713 1.6974 -0.13721 36434 2023-02-20 01:38:46,605 INFO [main.py:643]
{rank 0/100} MD step = 21400 step time: 00:00:00.018226 Performance: 528.929 ns/day 0.045 hours/ns 30.609 steps/s 2023-02-20 01:38:47,841 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 59.149 -33580 6482.8 -40063 -40063 0.28805 1.6995 -0.13661 36609 2023-02-20 01:38:49,729 INFO [main.py:643]
{rank 0/100} MD step = 21500 step time: 00:00:00.018172 Performance: 529.037 ns/day 0.045 hours/ns 30.616 steps/s 2023-02-20 01:38:50,554 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 21500 4300 59.606 -33487 6532.9 -40020 -40020 0.28571 1.6994 -0.13627 36783 2023-02-20 01:38:52,934 INFO [main.py:643]
{rank 0/100} MD step = 21600 step time: 00:00:00.018109 Performance: 529.083 ns/day 0.045 hours/ns 30.618 steps/s 2023-02-20 01:38:54,243 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 21600 4320 59.79 -33634 6553 -40188 -40188 0.28384 1.7002 -0.13671 36941 2023-02-20 01:38:56,159 INFO [main.py:643]
{rank 0/100} MD step = 21700 step time: 00:00:00.019016 Performance: 529.114 ns/day 0.045 hours/ns 30.620 steps/s 2023-02-20 01:38:57,737 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 60.475 -33463 6628.2 -40091 -40091 0.28206 1.7015 -0.13713 37141 2023-02-20 01:38:59,618 INFO [main.py:643]
{rank 0/100} MD step = 21800 step time: 00:00:00.018098 Performance: 528.970 ns/day 0.045 hours/ns 30.612 steps/s 2023-02-20 01:39:00,998 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 59.036 -33715 6470.5 -40185 -40185 0.28074 1.7031 -0.13639 37296 2023-02-20 01:39:02,855 INFO [main.py:643]
{rank 0/100} MD step = 21900 step time: 00:00:00.020812 Performance: 528.992 ns/day 0.045 hours/ns 30.613 steps/s 2023-02-20 01:39:04,974 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 60.542 -33506 6635.5 -40142 -40142 0.28202 1.7064 -0.13618 37493 2023-02-20 01:39:07,159 INFO [main.py:643]
{rank 0/100} MD step = 22000 step time: 00:00:00.021737 Performance: 528.230 ns/day 0.045 hours/ns 30.569 steps/s 2023-02-20 01:39:11,036 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 59.971 -33564 6572.9 -40137 -40137 0.278 1.7064 -0.13646 37653 2023-02-20 01:39:13,072 INFO [main.py:643]
{rank 0/100} MD step = 22100 step time: 00:00:00.020729 Performance: 526.307 ns/day 0.046 hours/ns 30.458 steps/s 2023-02-20 01:39:14,411 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 60.37 -33488 6616.6 -40104 -40104 0.2796 1.7078 -0.13787 37833 2023-02-20 01:39:16,522 INFO [main.py:643]
{rank 0/100} MD step = 22200 step time: 00:00:00.022085 Performance: 526.186 ns/day 0.046 hours/ns 30.451 steps/s 2023-02-20 01:39:19,923 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 60.113 -33682 6588.4 -40270 -40270 0.27985 1.7113 -0.137 37984 2023-02-20 01:39:22,060 INFO [main.py:643]
{rank 0/100} MD step = 22300 step time: 00:00:00.020123 Performance: 524.571 ns/day 0.046 hours/ns 30.357 steps/s 2023-02-20 01:39:23,535 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 60.358 -33538 6615.3 -40154 -40154 0.27891 1.7113 -0.13664 38176 2023-02-20 01:39:25,807 INFO [main.py:643]
{rank 0/100} MD step = 22400 step time: 00:00:00.023760 Performance: 524.250 ns/day 0.046 hours/ns 30.339 steps/s 2023-02-20 01:39:27,270 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 59.69 -33473 6542.1 -40015 -40015 0.2784 1.7132 -0.13485 38364 2023-02-20 01:39:29,365 INFO [main.py:643]
{rank 0/100} MD step = 22500 step time: 00:00:00.019891 Performance: 524.065 ns/day 0.046 hours/ns 30.328 steps/s 2023-02-20 01:39:30,681 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 22500 4500 59.644 -33635 6537 -40172 -40172 0.27659 1.716 -0.13384 38491 2023-02-20 01:39:32,751 INFO [main.py:643]
{rank 0/100} MD step = 22600 step time: 00:00:00.019856 Performance: 524.002 ns/day 0.046 hours/ns 30.324 steps/s 2023-02-20 01:39:33,981 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 59.732 -33563 6546.7 -40110 -40110 0.27754 1.7187 -0.13426 38675 2023-02-20 01:39:36,120 INFO [main.py:643]
{rank 0/100} MD step = 22700 step time: 00:00:00.019989 Performance: 523.952 ns/day 0.046 hours/ns 30.321 steps/s 2023-02-20 01:39:37,452 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 59.453 -33650 6516.1 -40166 -40166 0.2771 1.7193 -0.13467 38822 2023-02-20 01:39:39,491 INFO [main.py:643]
{rank 0/100} MD step = 22800 step time: 00:00:00.019913 Performance: 523.902 ns/day 0.046 hours/ns 30.318 steps/s 2023-02-20 01:39:40,944 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 60.977 -33522 6683.2 -40205 -40205 0.27704 1.7205 -0.13756 38992 2023-02-20 01:39:42,978 INFO [main.py:643]
{rank 0/100} MD step = 22900 step time: 00:00:00.020005 Performance: 523.771 ns/day 0.046 hours/ns 30.311 steps/s 2023-02-20 01:39:44,404 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 59.677 -33582 6540.7 -40123 -40123 0.27743 1.7224 -0.13649 39183 2023-02-20 01:39:46,451 INFO [main.py:643]
{rank 0/100} MD step = 23000 step time: 00:00:00.019009 Performance: 523.651 ns/day 0.046 hours/ns 30.304 steps/s 2023-02-20 01:39:47,935 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 59.813 -33577 6555.6 -40133 -40133 0.27622 1.7231 -0.13564 39345 2023-02-20 01:39:49,775 INFO [main.py:643]
{rank 0/100} MD step = 23100 step time: 00:00:00.018804 Performance: 523.634 ns/day 0.046 hours/ns 30.303 steps/s 2023-02-20 01:39:51,035 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 59.889 -33583 6563.9 -40147 -40147 0.27618 1.7248 -0.13477 39509 2023-02-20 01:39:53,241 INFO [main.py:643]
{rank 0/100} MD step = 23200 step time: 00:00:00.019405 Performance: 523.521 ns/day 0.046 hours/ns 30.296 steps/s 2023-02-20 01:39:54,625 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 59.944 -33529 6570 -40099 -40099 0.27476 1.7267 -0.13375 39669 2023-02-20 01:39:56,582 INFO [main.py:643]
{rank 0/100} MD step = 23300 step time: 00:00:00.018907 Performance: 523.494 ns/day 0.046 hours/ns 30.295 steps/s 2023-02-20 01:39:58,037 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 58.736 -33670 6437.6 -40108 -40108 0.27384 1.7288 -0.13309 39818 2023-02-20 01:39:59,902 INFO [main.py:643]
{rank 0/100} MD step = 23400 step time: 00:00:00.018302 Performance: 523.481 ns/day 0.046 hours/ns 30.294 steps/s 2023-02-20 01:40:01,323 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 60.626 -33302 6644.7 -39947 -39947 0.27174 1.7294 -0.13243 40003 2023-02-20 01:40:03,235 INFO [main.py:643]
{rank 0/100} MD step = 23500 step time: 00:00:00.018127 Performance: 523.459 ns/day 0.046 hours/ns 30.293 steps/s 2023-02-20 01:40:04,542 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 23500 4700 60.435 -33392 6623.8 -40016 -40016 0.27222 1.7301 -0.13172 40185 2023-02-20 01:40:06,464 INFO [main.py:643]
{rank 0/100} MD step = 23600 step time: 00:00:00.025981 Performance: 523.508 ns/day 0.046 hours/ns 30.296 steps/s 2023-02-20 01:40:07,872 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 60.191 -33585 6597.1 -40182 -40182 0.2697 1.7326 -0.13092 40338 2023-02-20 01:40:09,722 INFO [main.py:643]
{rank 0/100} MD step = 23700 step time: 00:00:00.018110 Performance: 523.536 ns/day 0.046 hours/ns 30.297 steps/s 2023-02-20 01:40:11,127 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 60.385 -33484 6618.2 -40102 -40102 0.26897 1.7347 -0.12925 40529 2023-02-20 01:40:13,081 INFO [main.py:643]
{rank 0/100} MD step = 23800 step time: 00:00:00.017904 Performance: 523.497 ns/day 0.046 hours/ns 30.295 steps/s 2023-02-20 01:40:14,466 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 60.343 -33409 6613.7 -40023 -40023 0.26942 1.7337 -0.12816 40736 2023-02-20 01:40:16,323 INFO [main.py:643]
{rank 0/100} MD step = 23900 step time: 00:00:00.018228 Performance: 523.536 ns/day 0.046 hours/ns 30.297 steps/s 2023-02-20 01:40:17,710 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 59.777 -33460 6551.6 -40011 -40011 0.26731 1.7366 -0.12865 40886 2023-02-20 01:40:19,734 INFO [main.py:643]
{rank 0/100} MD step = 24000 step time: 00:00:00.018233 Performance: 523.463 ns/day 0.046 hours/ns 30.293 steps/s 2023-02-20 01:40:21,508 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 60.1 -33544 6587 -40131 -40131 0.26608 1.7386 -0.12938 41025 2023-02-20 01:40:23,399 INFO [main.py:643]
{rank 0/100} MD step = 24100 step time: 00:00:00.018950 Performance: 523.224 ns/day 0.046 hours/ns 30.279 steps/s 2023-02-20 01:40:24,748 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 59.823 -33569 6556.7 -40125 -40125 0.26525 1.7405 -0.12951 41196 2023-02-20 01:40:26,673 INFO [main.py:643]
{rank 0/100} MD step = 24200 step time: 00:00:00.018164 Performance: 523.243 ns/day 0.046 hours/ns 30.280 steps/s 2023-02-20 01:40:27,522 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 24200 4840 60.299 -33387 6608.9 -39996 -39996 0.2647 1.7415 -0.12912 41398 2023-02-20 01:40:29,856 INFO [main.py:643]
{rank 0/100} MD step = 24300 step time: 00:00:00.019125 Performance: 523.321 ns/day 0.046 hours/ns 30.285 steps/s 2023-02-20 01:40:31,277 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 60.718 -33479 6654.8 -40134 -40134 0.26321 1.7438 -0.1277 41544 2023-02-20 01:40:33,234 INFO [main.py:643]
{rank 0/100} MD step = 24400 step time: 00:00:00.018116 Performance: 523.271 ns/day 0.046 hours/ns 30.282 steps/s 2023-02-20 01:40:34,566 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 59.065 -33766 6473.6 -40240 -40240 0.26175 1.7441 -0.1286 41711 2023-02-20 01:40:36,435 INFO [main.py:643]
{rank 0/100} MD step = 24500 step time: 00:00:00.018179 Performance: 523.337 ns/day 0.046 hours/ns 30.286 steps/s 2023-02-20 01:40:37,791 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 61.44 -33493 6733.9 -40227 -40227 0.26139 1.7477 -0.12978 41889 2023-02-20 01:40:39,724 INFO [main.py:643]
{rank 0/100} MD step = 24600 step time: 00:00:00.018366 Performance: 523.345 ns/day 0.046 hours/ns 30.286 steps/s 2023-02-20 01:40:41,102 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 60.063 -33541 6582.9 -40124 -40124 0.25798 1.7503 -0.13073 42078 2023-02-20 01:40:43,012 INFO [main.py:643]
{rank 0/100} MD step = 24700 step time: 00:00:00.017990 Performance: 523.354 ns/day 0.046 hours/ns 30.287 steps/s 2023-02-20 01:40:44,193 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 60.655 -33470 6647.9 -40118 -40118 0.25824 1.7523 -0.12985 42237 2023-02-20 01:40:46,154 INFO [main.py:643]
{rank 0/100} MD step = 24800 step time: 00:00:00.020782 Performance: 523.456 ns/day 0.046 hours/ns 30.293 steps/s 2023-02-20 01:40:47,544 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 59.93 -33557 6568.4 -40125 -40125 0.25824 1.7525 -0.13184 42389 2023-02-20 01:40:49,400 INFO [main.py:643]
{rank 0/100} MD step = 24900 step time: 00:00:00.018588 Performance: 523.491 ns/day 0.046 hours/ns 30.295 steps/s 2023-02-20 01:40:50,800 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 59.078 -33673 6475 -40149 -40149 0.2591 1.7525 -0.13288 42597 2023-02-20 01:40:52,763 INFO [main.py:643]
{rank 0/100} MD step = 25000 step time: 00:00:00.019126 Performance: 523.452 ns/day 0.046 hours/ns 30.292 steps/s 2023-02-20 01:40:54,408 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 59.128 -33609 6480.5 -40090 -40090 0.25805 1.7536 -0.1353 42751 2023-02-20 01:40:56,359 INFO [main.py:643]
{rank 0/100} MD step = 25100 step time: 00:00:00.018110 Performance: 523.266 ns/day 0.046 hours/ns 30.282 steps/s 2023-02-20 01:40:57,745 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 59.764 -33490 6550.3 -40040 -40040 0.25788 1.7565 -0.13443 42926 2023-02-20 01:40:59,753 INFO [main.py:643]
{rank 0/100} MD step = 25200 step time: 00:00:00.018746 Performance: 523.208 ns/day 0.046 hours/ns 30.278 steps/s 2023-02-20 01:41:01,018 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 59.039 -33660 6470.7 -40131 -40131 0.25721 1.758 -0.13486 43084 2023-02-20 01:41:04,251 INFO [main.py:643]
{rank 0/100} MD step = 25300 step time: 00:00:00.017855 Performance: 522.461 ns/day 0.046 hours/ns 30.235 steps/s 2023-02-20 01:41:05,608 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 59.651 -33604 6537.8 -40142 -40142 0.25971 1.7597 -0.13587 43233 2023-02-20 01:41:07,631 INFO [main.py:643]
{rank 0/100} MD step = 25400 step time: 00:00:00.026621 Performance: 522.415 ns/day 0.046 hours/ns 30.232 steps/s 2023-02-20 01:41:08,831 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 59.83 -33672 6557.5 -40230 -40230 0.26087 1.7617 -0.13657 43377 2023-02-20 01:41:10,815 INFO [main.py:643]
{rank 0/100} MD step = 25500 step time: 00:00:00.018575 Performance: 522.492 ns/day 0.046 hours/ns 30.237 steps/s 2023-02-20 01:41:12,054 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 25500 5100 60.107 -33515 6587.8 -40103 -40103 0.2603 1.7631 -0.1354 43586 2023-02-20 01:41:14,050 INFO [main.py:643]
{rank 0/100} MD step = 25600 step time: 00:00:00.018294 Performance: 522.537 ns/day 0.046 hours/ns 30.239 steps/s 2023-02-20 01:41:15,279 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 59.989 -33465 6574.9 -40040 -40040 0.2617 1.7633 -0.13563 43752 2023-02-20 01:41:17,214 INFO [main.py:643]
{rank 0/100} MD step = 25700 step time: 00:00:00.018601 Performance: 522.625 ns/day 0.046 hours/ns 30.244 steps/s 2023-02-20 01:41:18,389 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 60.075 -33610 6584.3 -40194 -40194 0.25952 1.7626 -0.13707 43923 2023-02-20 01:41:20,503 INFO [main.py:643]
{rank 0/100} MD step = 25800 step time: 00:00:00.018534 Performance: 522.635 ns/day 0.046 hours/ns 30.245 steps/s 2023-02-20 01:41:21,755 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 59.296 -33668 6498.9 -40167 -40167 0.25841 1.7633 -0.13742 44113 2023-02-20 01:41:23,648 INFO [main.py:643]
{rank 0/100} MD step = 25900 step time: 00:00:00.018054 Performance: 522.733 ns/day 0.046 hours/ns 30.251 steps/s 2023-02-20 01:41:24,954 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 59.67 -33611 6539.9 -40151 -40151 0.25731 1.7647 -0.13591 44284 2023-02-20 01:41:26,848 INFO [main.py:643]
{rank 0/100} MD step = 26000 step time: 00:00:00.018414 Performance: 522.798 ns/day 0.046 hours/ns 30.255 steps/s 2023-02-20 01:41:28,135 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 60.226 -33526 6600.8 -40127 -40127 0.25631 1.7663 -0.13654 44469 2023-02-20 01:41:30,038 INFO [main.py:643]
{rank 0/100} MD step = 26100 step time: 00:00:00.018093 Performance: 522.868 ns/day 0.046 hours/ns 30.259 steps/s 2023-02-20 01:41:31,705 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 26100 5220 59.14 -33566 6481.8 -40048 -40048 0.2554 1.7679 -0.138 44657 2023-02-20 01:41:33,560 INFO [main.py:643]
{rank 0/100} MD step = 26200 step time: 00:00:00.019061 Performance: 522.737 ns/day 0.046 hours/ns 30.251 steps/s 2023-02-20 01:41:35,050 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 59.809 -33635 6555.1 -40190 -40190 0.25476 1.7699 -0.13759 44798 2023-02-20 01:41:36,961 INFO [main.py:643]
{rank 0/100} MD step = 26300 step time: 00:00:00.017997 Performance: 522.680 ns/day 0.046 hours/ns 30.248 steps/s 2023-02-20 01:41:38,288 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 60.514 -33522 6632.4 -40154 -40154 0.25548 1.7715 -0.1365 44976 2023-02-20 01:41:40,116 INFO [main.py:643]
{rank 0/100} MD step = 26400 step time: 00:00:00.018731 Performance: 522.770 ns/day 0.046 hours/ns 30.253 steps/s 2023-02-20 01:41:41,712 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 26400 5280 59.854 -33522 6560.1 -40082 -40082 0.2555 1.7722 -0.13506 45174 2023-02-20 01:41:43,715 INFO [main.py:643]
{rank 0/100} MD step = 26500 step time: 00:00:00.018145 Performance: 522.595 ns/day 0.046 hours/ns 30.243 steps/s 2023-02-20 01:41:45,015 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 60.334 -33567 6612.7 -40180 -40180 0.253 1.7733 -0.13464 45317 2023-02-20 01:41:46,960 INFO [main.py:643]
{rank 0/100} MD step = 26600 step time: 00:00:00.018170 Performance: 522.632 ns/day 0.046 hours/ns 30.245 steps/s 2023-02-20 01:41:48,365 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 59.722 -33526 6545.7 -40072 -40072 0.25144 1.774 -0.13504 45522 2023-02-20 01:41:50,209 INFO [main.py:643]
{rank 0/100} MD step = 26700 step time: 00:00:00.018910 Performance: 522.665 ns/day 0.046 hours/ns 30.247 steps/s 2023-02-20 01:41:51,005 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 60.56 -33422 6637.4 -40059 -40059 0.25028 1.7751 -0.13637 45679 2023-02-20 01:41:53,396 INFO [main.py:643]
{rank 0/100} MD step = 26800 step time: 00:00:00.017993 Performance: 522.736 ns/day 0.046 hours/ns 30.251 steps/s 2023-02-20 01:41:54,823 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 59.644 -33520 6537.1 -40057 -40057 0.24881 1.7763 -0.13593 45821 2023-02-20 01:41:56,694 INFO [main.py:643]
{rank 0/100} MD step = 26900 step time: 00:00:00.018495 Performance: 522.740 ns/day 0.046 hours/ns 30.251 steps/s 2023-02-20 01:41:57,909 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 60.619 -33510 6643.9 -40154 -40154 0.24672 1.778 -0.13646 45954 2023-02-20 01:41:59,850 INFO [main.py:643]
{rank 0/100} MD step = 27000 step time: 00:00:00.017913 Performance: 522.828 ns/day 0.046 hours/ns 30.256 steps/s 2023-02-20 01:42:01,238 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 58.733 -33835 6437.3 -40272 -40272 0.24314 1.7788 -0.13717 46103 2023-02-20 01:42:03,212 INFO [main.py:643]
{rank 0/100} MD step = 27100 step time: 00:00:00.017908 Performance: 522.795 ns/day 0.046 hours/ns 30.254 steps/s 2023-02-20 01:42:04,540 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 59.11 -33625 6478.5 -40104 -40104 0.24276 1.7809 -0.13888 46284 2023-02-20 01:42:06,414 INFO [main.py:643]
{rank 0/100} MD step = 27200 step time: 00:00:00.018427 Performance: 522.855 ns/day 0.046 hours/ns 30.258 steps/s 2023-02-20 01:42:07,781 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 59.636 -33601 6536.2 -40138 -40138 0.24132 1.7829 -0.13774 46457 2023-02-20 01:42:09,735 INFO [main.py:643]
{rank 0/100} MD step = 27300 step time: 00:00:00.018085 Performance: 522.845 ns/day 0.046 hours/ns 30.257 steps/s 2023-02-20 01:42:11,211 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 58.738 -33675 6437.7 -40113 -40113 0.24139 1.7851 -0.13799 46621 2023-02-20 01:42:13,122 INFO [main.py:643]
{rank 0/100} MD step = 27400 step time: 00:00:00.018206 Performance: 522.798 ns/day 0.046 hours/ns 30.255 steps/s 2023-02-20 01:42:14,448 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 27400 5480 60.052 -33572 6581.7 -40153 -40153 0.24136 1.7854 -0.1396 46773 2023-02-20 01:42:16,367 INFO [main.py:643]
{rank 0/100} MD step = 27500 step time: 00:00:00.018094 Performance: 522.833 ns/day 0.046 hours/ns 30.257 steps/s 2023-02-20 01:42:17,232 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 59.784 -33696 6552.4 -40248 -40248 0.24211 1.7854 -0.14043 46915 2023-02-20 01:42:19,985 INFO [main.py:643]
{rank 0/100} MD step = 27600 step time: 00:00:00.018071 Performance: 522.653 ns/day 0.046 hours/ns 30.246 steps/s 2023-02-20 01:42:21,208 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 60.435 -33468 6623.8 -40092 -40092 0.2403 1.7871 -0.14092 47118 2023-02-20 01:42:23,165 INFO [main.py:643]
{rank 0/100} MD step = 27700 step time: 00:00:00.017910 Performance: 522.726 ns/day 0.046 hours/ns 30.250 steps/s 2023-02-20 01:42:25,100 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 59.871 -33632 6561.9 -40193 -40193 0.2399 1.7884 -0.14115 47297 2023-02-20 01:42:26,987 INFO [main.py:643]
{rank 0/100} MD step = 27800 step time: 00:00:00.018598 Performance: 522.432 ns/day 0.046 hours/ns 30.233 steps/s 2023-02-20 01:42:28,704 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 27800 5560 59.579 -33523 6529.9 -40053 -40053 0.23994 1.7914 -0.14254 47492 2023-02-20 01:42:30,651 INFO [main.py:643]
{rank 0/100} MD step = 27900 step time: 00:00:00.017996 Performance: 522.230 ns/day 0.046 hours/ns 30.222 steps/s 2023-02-20 01:42:31,956 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 60.18 -33576 6595.9 -40172 -40172 0.23878 1.7928 -0.14127 47634 2023-02-20 01:42:33,818 INFO [main.py:643]
{rank 0/100} MD step = 28000 step time: 00:00:00.018316 Performance: 522.310 ns/day 0.046 hours/ns 30.226 steps/s 2023-02-20 01:42:35,142 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 60.108 -33431 6587.9 -40019 -40019 0.23852 1.7941 -0.14048 47799 2023-02-20 01:42:37,053 INFO [main.py:643]
{rank 0/100} MD step = 28100 step time: 00:00:00.018037 Performance: 522.352 ns/day 0.046 hours/ns 30.229 steps/s 2023-02-20 01:42:38,288 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 60.661 -33514 6648.5 -40163 -40163 0.23885 1.7954 -0.14274 47951 2023-02-20 01:42:40,186 INFO [main.py:643]
{rank 0/100} MD step = 28200 step time: 00:00:00.018848 Performance: 522.450 ns/day 0.046 hours/ns 30.234 steps/s 2023-02-20 01:42:41,502 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 59.757 -33594 6549.4 -40143 -40143 0.24035 1.7962 -0.14222 48140 2023-02-20 01:42:43,460 INFO [main.py:643]
{rank 0/100} MD step = 28300 step time: 00:00:00.018277 Performance: 522.468 ns/day 0.046 hours/ns 30.235 steps/s 2023-02-20 01:42:44,837 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 60.536 -33560 6634.8 -40195 -40195 0.24178 1.7976 -0.14458 48319 2023-02-20 01:42:46,732 INFO [main.py:643]
{rank 0/100} MD step = 28400 step time: 00:00:00.018189 Performance: 522.488 ns/day 0.046 hours/ns 30.237 steps/s 2023-02-20 01:42:53,148 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 59.635 -33428 6536.1 -39965 -39965 0.23852 1.7988 -0.14674 48508 2023-02-20 01:42:55,799 INFO [main.py:643]
{rank 0/100} MD step = 28500 step time: 00:00:00.018838 Performance: 519.315 ns/day 0.046 hours/ns 30.053 steps/s 2023-02-20 01:42:57,160 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 60.189 -33494 6596.8 -40091 -40091 0.23676 1.7995 -0.14694 48638 2023-02-20 01:42:59,095 INFO [main.py:643]
{rank 0/100} MD step = 28600 step time: 00:00:00.018042 Performance: 519.332 ns/day 0.046 hours/ns 30.054 steps/s 2023-02-20 01:43:01,230 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 59.832 -33503 6557.7 -40061 -40061 0.2355 1.7999 -0.14821 48832 2023-02-20 01:43:03,195 INFO [main.py:643]
{rank 0/100} MD step = 28700 step time: 00:00:00.018159 Performance: 518.912 ns/day 0.046 hours/ns 30.030 steps/s 2023-02-20 01:43:04,407 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 60.167 -33552 6594.4 -40146 -40146 0.23553 1.8012 -0.14841 49012 2023-02-20 01:43:06,392 INFO [main.py:643]
{rank 0/100} MD step = 28800 step time: 00:00:00.018178 Performance: 518.984 ns/day 0.046 hours/ns 30.034 steps/s 2023-02-20 01:43:07,802 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 59.482 -33528 6519.3 -40047 -40047 0.23478 1.8018 -0.14789 49163 2023-02-20 01:43:09,760 INFO [main.py:643]
{rank 0/100} MD step = 28900 step time: 00:00:00.018157 Performance: 518.963 ns/day 0.046 hours/ns 30.033 steps/s 2023-02-20 01:43:10,909 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 59.184 -33618 6486.6 -40105 -40105 0.23369 1.8022 -0.14873 49335 2023-02-20 01:43:12,882 INFO [main.py:643]
{rank 0/100} MD step = 29000 step time: 00:00:00.018269 Performance: 519.075 ns/day 0.046 hours/ns 30.039 steps/s 2023-02-20 01:43:14,193 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 60.655 -33479 6647.9 -40127 -40127 0.23131 1.8049 -0.14882 49507 2023-02-20 01:43:16,046 INFO [main.py:643]
{rank 0/100} MD step = 29100 step time: 00:00:00.018071 Performance: 519.163 ns/day 0.046 hours/ns 30.044 steps/s 2023-02-20 01:43:17,380 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 59.398 -33521 6510.1 -40031 -40031 0.23087 1.8081 -0.14789 49715 2023-02-20 01:43:19,249 INFO [main.py:643]
{rank 0/100} MD step = 29200 step time: 00:00:00.018078 Performance: 519.230 ns/day 0.046 hours/ns 30.048 steps/s 2023-02-20 01:43:20,543 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 59.813 -33494 6555.6 -40050 -40050 0.23101 1.8094 -0.14845 49872 2023-02-20 01:43:22,443 INFO [main.py:643]
{rank 0/100} MD step = 29300 step time: 00:00:00.018202 Performance: 519.302 ns/day 0.046 hours/ns 30.052 steps/s 2023-02-20 01:43:23,836 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 59.225 -33725 6491.2 -40217 -40217 0.23123 1.8105 -0.14911 50040 2023-02-20 01:43:25,656 INFO [main.py:643]
{rank 0/100} MD step = 29400 step time: 00:00:00.017975 Performance: 519.362 ns/day 0.046 hours/ns 30.056 steps/s 2023-02-20 01:43:27,007 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 59.996 -33532 6575.7 -40107 -40107 0.23255 1.8134 -0.14902 50237 2023-02-20 01:43:28,889 INFO [main.py:643]
{rank 0/100} MD step = 29500 step time: 00:00:00.018074 Performance: 519.412 ns/day 0.046 hours/ns 30.059 steps/s 2023-02-20 01:43:30,279 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 29500 5900 60.218 -33483 6600 -40083 -40083 0.23401 1.8147 -0.14728 50416 2023-02-20 01:43:32,119 INFO [main.py:643]
{rank 0/100} MD step = 29600 step time: 00:00:00.023778 Performance: 519.463 ns/day 0.046 hours/ns 30.062 steps/s 2023-02-20 01:43:33,348 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 29600 5920 60.167 -33441 6594.4 -40036 -40036 0.23524 1.8163 -0.14728 50585 2023-02-20 01:43:35,265 INFO [main.py:643]
{rank 0/100} MD step = 29700 step time: 00:00:00.018399 Performance: 519.558 ns/day 0.046 hours/ns 30.067 steps/s 2023-02-20 01:43:36,114 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 60.129 -33476 6590.2 -40066 -40066 0.23531 1.8173 -0.14656 50780 2023-02-20 01:43:38,509 INFO [main.py:643]
{rank 0/100} MD step = 29800 step time: 00:00:00.018595 Performance: 519.602 ns/day 0.046 hours/ns 30.070 steps/s 2023-02-20 01:43:39,754 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 60.588 -33607 6640.5 -40247 -40247 0.23548 1.8191 -0.14609 50938 2023-02-20 01:43:41,726 INFO [main.py:643]
{rank 0/100} MD step = 29900 step time: 00:00:00.018342 Performance: 519.658 ns/day 0.046 hours/ns 30.073 steps/s 2023-02-20 01:43:43,083 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 29900 5980 59.996 -33500 6575.7 -40076 -40076 0.23818 1.8208 -0.14684 51126 2023-02-20 01:43:44,952 INFO [main.py:643]
{rank 0/100} MD step = 30000 step time: 00:00:00.017863 Performance: 519.710 ns/day 0.046 hours/ns 30.076 steps/s 2023-02-20 01:43:46,345 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 60.724 -33321 6655.5 -39976 -39976 0.23938 1.8236 -0.14752 51321 2023-02-20 01:43:48,229 INFO [main.py:643]
{rank 0/100} MD step = 30100 step time: 00:00:00.017992 Performance: 519.735 ns/day 0.046 hours/ns 30.077 steps/s 2023-02-20 01:43:49,540 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 59.649 -33589 6537.6 -40127 -40127 0.24058 1.8264 -0.14662 51473 2023-02-20 01:43:51,449 INFO [main.py:643]
{rank 0/100} MD step = 30200 step time: 00:00:00.018121 Performance: 519.789 ns/day 0.046 hours/ns 30.080 steps/s 2023-02-20 01:43:53,073 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 59.408 -33617 6511.2 -40128 -40128 0.24219 1.8306 -0.14588 51636 2023-02-20 01:43:55,027 INFO [main.py:643]
{rank 0/100} MD step = 30300 step time: 00:00:00.018306 Performance: 519.658 ns/day 0.046 hours/ns 30.073 steps/s 2023-02-20 01:43:56,282 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 59.479 -33594 6519 -40113 -40113 0.2403 1.833 -0.14376 51845 2023-02-20 01:43:58,251 INFO [main.py:643]
{rank 0/100} MD step = 30400 step time: 00:00:00.018250 Performance: 519.710 ns/day 0.046 hours/ns 30.076 steps/s 2023-02-20 01:43:59,721 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 60.218 -33595 6599.9 -40195 -40195 0.23925 1.8331 -0.14458 51987 2023-02-20 01:44:01,546 INFO [main.py:643]
{rank 0/100} MD step = 30500 step time: 00:00:00.018221 Performance: 519.726 ns/day 0.046 hours/ns 30.077 steps/s 2023-02-20 01:44:02,867 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 59.676 -33482 6540.6 -40022 -40022 0.23869 1.8342 -0.14444 52189 2023-02-20 01:44:04,803 INFO [main.py:643]
{rank 0/100} MD step = 30600 step time: 00:00:00.018251 Performance: 519.760 ns/day 0.046 hours/ns 30.079 steps/s 2023-02-20 01:44:06,160 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 59.459 -33626 6516.8 -40143 -40143 0.23849 1.8368 -0.14442 52362 2023-02-20 01:44:08,120 INFO [main.py:643]
{rank 0/100} MD step = 30700 step time: 00:00:00.020693 Performance: 519.764 ns/day 0.046 hours/ns 30.079 steps/s 2023-02-20 01:44:09,491 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 60.558 -33688 6637.2 -40325 -40325 0.23628 1.8402 -0.14595 52485 2023-02-20 01:44:11,337 INFO [main.py:643]
{rank 0/100} MD step = 30800 step time: 00:00:00.018425 Performance: 519.819 ns/day 0.046 hours/ns 30.082 steps/s 2023-02-20 01:44:12,631 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 59.917 -33523 6566.9 -40090 -40090 0.23748 1.8413 -0.14477 52678 2023-02-20 01:44:14,607 INFO [main.py:643]
{rank 0/100} MD step = 30900 step time: 00:00:00.018110 Performance: 519.846 ns/day 0.046 hours/ns 30.084 steps/s 2023-02-20 01:44:15,855 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 60.297 -33486 6608.6 -40094 -40094 0.23736 1.8445 -0.14498 52858 2023-02-20 01:44:17,757 INFO [main.py:643]
{rank 0/100} MD step = 31000 step time: 00:00:00.018103 Performance: 519.934 ns/day 0.046 hours/ns 30.089 steps/s 2023-02-20 01:44:18,970 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 60.983 -33468 6683.9 -40152 -40152 0.23716 1.8462 -0.14694 53024 2023-02-20 01:44:20,956 INFO [main.py:643]
{rank 0/100} MD step = 31100 step time: 00:00:00.018278 Performance: 519.997 ns/day 0.046 hours/ns 30.092 steps/s 2023-02-20 01:44:22,433 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 60.001 -33567 6576.2 -40143 -40143 0.2392 1.8495 -0.14719 53184 2023-02-20 01:44:24,314 INFO [main.py:643]
{rank 0/100} MD step = 31200 step time: 00:00:00.019884 Performance: 519.979 ns/day 0.046 hours/ns 30.091 steps/s 2023-02-20 01:44:25,127 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 59.605 -33624 6532.7 -40157 -40157 0.23925 1.8511 -0.1466 53362 2023-02-20 01:44:27,520 INFO [main.py:643]
{rank 0/100} MD step = 31300 step time: 00:00:00.018062 Performance: 520.038 ns/day 0.046 hours/ns 30.095 steps/s 2023-02-20 01:44:28,828 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 31300 6260 59.488 -33568 6520 -40088 -40088 0.23958 1.8522 -0.14793 53518 2023-02-20 01:44:30,667 INFO [main.py:643]
{rank 0/100} MD step = 31400 step time: 00:00:00.018116 Performance: 520.125 ns/day 0.046 hours/ns 30.100 steps/s 2023-02-20 01:44:32,219 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 58.459 -33662 6407.2 -40069 -40069 0.23958 1.8511 -0.14828 53714 2023-02-20 01:44:34,067 INFO [main.py:643]
{rank 0/100} MD step = 31500 step time: 00:00:00.019361 Performance: 520.087 ns/day 0.046 hours/ns 30.098 steps/s 2023-02-20 01:44:36,646 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 31500 6300 59.896 -33616 6564.7 -40181 -40181 0.23891 1.8536 -0.14829 53886 2023-02-20 01:44:38,600 INFO [main.py:643]
{rank 0/100} MD step = 31600 step time: 00:00:00.018073 Performance: 519.488 ns/day 0.046 hours/ns 30.063 steps/s 2023-02-20 01:44:39,410 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 59.574 -33626 6529.4 -40155 -40155 0.2374 1.8535 -0.14871 54054 2023-02-20 01:44:41,757 INFO [main.py:643]
{rank 0/100} MD step = 31700 step time: 00:00:00.018261 Performance: 519.571 ns/day 0.046 hours/ns 30.068 steps/s 2023-02-20 01:44:42,998 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 60.69 -33332 6651.7 -39983 -39983 0.23904 1.8529 -0.14805 54266 2023-02-20 01:44:44,911 INFO [main.py:643]
{rank 0/100} MD step = 31800 step time: 00:00:00.018087 Performance: 519.656 ns/day 0.046 hours/ns 30.073 steps/s 2023-02-20 01:44:46,136 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 60.706 -33426 6653.5 -40079 -40079 0.23716 1.8544 -0.14776 54426 2023-02-20 01:44:48,064 INFO [main.py:643]
{rank 0/100} MD step = 31900 step time: 00:00:00.018649 Performance: 519.740 ns/day 0.046 hours/ns 30.078 steps/s 2023-02-20 01:44:53,499 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 59.816 -33582 6555.9 -40138 -40138 0.23733 1.8573 -0.14801 54603 2023-02-20 01:44:55,412 INFO [main.py:643]
{rank 0/100} MD step = 32000 step time: 00:00:00.018009 Performance: 517.782 ns/day 0.046 hours/ns 29.964 steps/s 2023-02-20 01:44:56,965 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 32000 6400 58.894 -33623 6454.9 -40078 -40078 0.23784 1.8602 -0.14845 54807 2023-02-20 01:44:58,836 INFO [main.py:643]
{rank 0/100} MD step = 32100 step time: 00:00:00.018500 Performance: 517.740 ns/day 0.046 hours/ns 29.962 steps/s 2023-02-20 01:45:00,249 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 60.946 -33409 6679.8 -40089 -40089 0.23799 1.8616 -0.14863 54976 2023-02-20 01:45:02,124 INFO [main.py:643]
{rank 0/100} MD step = 32200 step time: 00:00:00.018072 Performance: 517.764 ns/day 0.046 hours/ns 29.963 steps/s 2023-02-20 01:45:03,014 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 60.85 -33402 6669.2 -40071 -40071 0.23878 1.8638 -0.1479 55163 2023-02-20 01:45:05,339 INFO [main.py:643]
{rank 0/100} MD step = 32300 step time: 00:00:00.018065 Performance: 517.823 ns/day 0.046 hours/ns 29.967 steps/s 2023-02-20 01:45:06,907 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 59.916 -33684 6566.9 -40251 -40251 0.23721 1.8664 -0.14924 55287 2023-02-20 01:45:08,771 INFO [main.py:643]
{rank 0/100} MD step = 32400 step time: 00:00:00.018158 Performance: 517.778 ns/day 0.046 hours/ns 29.964 steps/s 2023-02-20 01:45:11,115 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 59.36 -33686 6505.9 -40192 -40192 0.23716 1.8674 -0.14933 55443 2023-02-20 01:45:13,090 INFO [main.py:643]
{rank 0/100} MD step = 32500 step time: 00:00:00.018087 Performance: 517.309 ns/day 0.046 hours/ns 29.937 steps/s 2023-02-20 01:45:14,384 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 32500 6500 60.784 -33475 6662 -40137 -40137 0.24009 1.8683 -0.1485 55637 2023-02-20 01:45:16,297 INFO [main.py:643]
{rank 0/100} MD step = 32600 step time: 00:00:00.018056 Performance: 517.372 ns/day 0.046 hours/ns 29.941 steps/s 2023-02-20 01:45:17,518 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 59.881 -33546 6563 -40109 -40109 0.24078 1.8681 -0.14927 55807 2023-02-20 01:45:19,514 INFO [main.py:643]
{rank 0/100} MD step = 32700 step time: 00:00:00.018759 Performance: 517.431 ns/day 0.046 hours/ns 29.944 steps/s 2023-02-20 01:45:20,736 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 59.698 -33712 6543 -40255 -40255 0.23998 1.8677 -0.14838 55943 2023-02-20 01:45:22,652 INFO [main.py:643]
{rank 0/100} MD step = 32800 step time: 00:00:00.018120 Performance: 517.526 ns/day 0.046 hours/ns 29.949 steps/s 2023-02-20 01:45:23,949 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 32800 6560 59.416 -33625 6512.1 -40138 -40138 0.23959 1.8712 -0.14816 56116 2023-02-20 01:45:25,827 INFO [main.py:643]
{rank 0/100} MD step = 32900 step time: 00:00:00.018428 Performance: 517.603 ns/day 0.046 hours/ns 29.954 steps/s 2023-02-20 01:45:27,114 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 59.573 -33714 6529.3 -40243 -40243 0.24127 1.872 -0.14816 56287 2023-02-20 01:45:29,139 INFO [main.py:643]
{rank 0/100} MD step = 33000 step time: 00:00:00.018047 Performance: 517.616 ns/day 0.046 hours/ns 29.955 steps/s 2023-02-20 01:45:30,492 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 59.543 -33588 6526 -40114 -40114 0.24096 1.8739 -0.1489 56495 2023-02-20 01:45:32,346 INFO [main.py:643]
{rank 0/100} MD step = 33100 step time: 00:00:00.018027 Performance: 517.677 ns/day 0.046 hours/ns 29.958 steps/s 2023-02-20 01:45:33,674 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 59.688 -33642 6541.8 -40184 -40184 0.24038 1.8744 -0.14959 56677 2023-02-20 01:45:35,532 INFO [main.py:643]
{rank 0/100} MD step = 33200 step time: 00:00:00.018068 Performance: 517.748 ns/day 0.046 hours/ns 29.962 steps/s 2023-02-20 01:45:36,828 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 58.987 -33603 6465 -40068 -40068 0.23975 1.8759 -0.15039 56856 2023-02-20 01:45:38,684 INFO [main.py:643]
{rank 0/100} MD step = 33300 step time: 00:00:00.017938 Performance: 517.835 ns/day 0.046 hours/ns 29.967 steps/s 2023-02-20 01:45:47,294 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 60.64 -33575 6646.3 -40221 -40221 0.24035 1.8782 -0.15113 56997 2023-02-20 01:45:49,241 INFO [main.py:643]
{rank 0/100} MD step = 33400 step time: 00:00:00.018228 Performance: 514.502 ns/day 0.047 hours/ns 29.774 steps/s 2023-02-20 01:45:50,810 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 59.212 -33701 6489.7 -40191 -40191 0.23927 1.8774 -0.15074 57203 2023-02-20 01:45:52,736 INFO [main.py:643]
{rank 0/100} MD step = 33500 step time: 00:00:00.018203 Performance: 514.440 ns/day 0.047 hours/ns 29.771 steps/s 2023-02-20 01:45:53,924 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 60.728 -33576 6655.8 -40232 -40232 0.23933 1.8781 -0.15092 57350 2023-02-20 01:45:55,874 INFO [main.py:643]
{rank 0/100} MD step = 33600 step time: 00:00:00.018118 Performance: 514.540 ns/day 0.047 hours/ns 29.777 steps/s 2023-02-20 01:45:57,376 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 60.036 -33491 6580 -40071 -40071 0.23902 1.8794 -0.15081 57561 2023-02-20 01:45:59,324 INFO [main.py:643]
{rank 0/100} MD step = 33700 step time: 00:00:00.018511 Performance: 514.499 ns/day 0.047 hours/ns 29.774 steps/s 2023-02-20 01:46:00,632 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 60.374 -33582 6617.1 -40199 -40199 0.23973 1.8824 -0.15075 57717 2023-02-20 01:46:02,468 INFO [main.py:643]
{rank 0/100} MD step = 33800 step time: 00:00:00.018040 Performance: 514.596 ns/day 0.047 hours/ns 29.780 steps/s 2023-02-20 01:46:04,669 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 60.983 -33500 6683.8 -40184 -40184 0.23897 1.8835 -0.15189 57895 2023-02-20 01:46:06,510 INFO [main.py:643]
{rank 0/100} MD step = 33900 step time: 00:00:00.017970 Performance: 514.287 ns/day 0.047 hours/ns 29.762 steps/s 2023-02-20 01:46:07,696 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 33900 6780 60.258 -33513 6604.4 -40117 -40117 0.23823 1.8832 -0.14992 58092 2023-02-20 01:46:09,746 INFO [main.py:643]
{rank 0/100} MD step = 34000 step time: 00:00:00.018419 Performance: 514.343 ns/day 0.047 hours/ns 29.765 steps/s 2023-02-20 01:46:11,504 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 59.038 -33642 6470.6 -40112 -40112 0.23662 1.8848 -0.14918 58271 2023-02-20 01:46:13,393 INFO [main.py:643]
{rank 0/100} MD step = 34100 step time: 00:00:00.019033 Performance: 514.214 ns/day 0.047 hours/ns 29.758 steps/s 2023-02-20 01:46:15,819 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 60.569 -33530 6638.4 -40169 -40169 0.23709 1.888 -0.14767 58469 2023-02-20 01:46:17,816 INFO [main.py:643]
{rank 0/100} MD step = 34200 step time: 00:00:00.018210 Performance: 513.739 ns/day 0.047 hours/ns 29.730 steps/s 2023-02-20 01:46:20,370 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 59.598 -33718 6532.1 -40250 -40250 0.235 1.8893 -0.14731 58590 2023-02-20 01:46:22,743 INFO [main.py:643]
{rank 0/100} MD step = 34300 step time: 00:00:00.018422 Performance: 513.043 ns/day 0.047 hours/ns 29.690 steps/s 2023-02-20 01:46:24,392 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 34300 6860 60.211 -33429 6599.2 -40028 -40028 0.23582 1.8897 -0.14584 58787 2023-02-20 01:46:26,247 INFO [main.py:643]
{rank 0/100} MD step = 34400 step time: 00:00:00.018178 Performance: 512.984 ns/day 0.047 hours/ns 29.687 steps/s 2023-02-20 01:46:29,134 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 59.68 -33559 6541 -40100 -40100 0.23519 1.8905 -0.14542 58951 2023-02-20 01:46:31,009 INFO [main.py:643]
{rank 0/100} MD step = 34500 step time: 00:00:00.018765 Performance: 512.369 ns/day 0.047 hours/ns 29.651 steps/s 2023-02-20 01:46:32,501 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 60.07 -33626 6583.7 -40209 -40209 0.23367 1.8924 -0.14592 59068 2023-02-20 01:46:34,438 INFO [main.py:643]
{rank 0/100} MD step = 34600 step time: 00:00:00.019947 Performance: 512.344 ns/day 0.047 hours/ns 29.650 steps/s 2023-02-20 01:46:35,744 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 34600 6920 60.617 -33388 6643.6 -40031 -40031 0.2331 1.8931 -0.14452 59274 2023-02-20 01:46:37,669 INFO [main.py:643]
{rank 0/100} MD step = 34700 step time: 00:00:00.018219 Performance: 512.406 ns/day 0.047 hours/ns 29.653 steps/s 2023-02-20 01:46:39,021 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 59.993 -33581 6575.3 -40156 -40156 0.2321 1.8948 -0.14523 59443 2023-02-20 01:46:40,905 INFO [main.py:643]
{rank 0/100} MD step = 34800 step time: 00:00:00.018094 Performance: 512.466 ns/day 0.047 hours/ns 29.657 steps/s 2023-02-20 01:46:42,210 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 59.865 -33608 6561.3 -40170 -40170 0.23179 1.8969 -0.14568 59613 2023-02-20 01:46:44,133 INFO [main.py:643]
{rank 0/100} MD step = 34900 step time: 00:00:00.017921 Performance: 512.529 ns/day 0.047 hours/ns 29.660 steps/s 2023-02-20 01:46:45,474 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 60.517 -33587 6632.8 -40220 -40220 0.23177 1.8985 -0.14622 59790 2023-02-20 01:46:47,373 INFO [main.py:643]
{rank 0/100} MD step = 35000 step time: 00:00:00.018804 Performance: 512.586 ns/day 0.047 hours/ns 29.664 steps/s 2023-02-20 01:46:48,679 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 59.192 -33626 6487.5 -40113 -40113 0.23064 1.901 -0.14633 59971 2023-02-20 01:46:50,513 INFO [main.py:643]
{rank 0/100} MD step = 35100 step time: 00:00:00.018224 Performance: 512.686 ns/day 0.047 hours/ns 29.669 steps/s 2023-02-20 01:46:51,937 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 60.08 -33674 6584.8 -40259 -40259 0.22988 1.9033 -0.14713 60135 2023-02-20 01:46:55,001 INFO [main.py:643]
{rank 0/100} MD step = 35200 step time: 00:00:00.018145 Performance: 512.214 ns/day 0.047 hours/ns 29.642 steps/s 2023-02-20 01:46:56,675 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 59.521 -33616 6523.5 -40140 -40140 0.23104 1.9044 -0.14692 60297 2023-02-20 01:46:58,617 INFO [main.py:643]
{rank 0/100} MD step = 35300 step time: 00:00:00.021461 Performance: 512.099 ns/day 0.047 hours/ns 29.635 steps/s 2023-02-20 01:47:00,217 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 59.658 -33666 6538.6 -40205 -40205 0.23126 1.9061 -0.14653 60460 2023-02-20 01:47:02,158 INFO [main.py:643]
{rank 0/100} MD step = 35400 step time: 00:00:00.018526 Performance: 512.028 ns/day 0.047 hours/ns 29.631 steps/s 2023-02-20 01:47:03,501 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 35400 7080 59.095 -33614 6476.9 -40091 -40091 0.23124 1.9082 -0.14599 60688 2023-02-20 01:47:05,405 INFO [main.py:643]
{rank 0/100} MD step = 35500 step time: 00:00:00.019147 Performance: 512.083 ns/day 0.047 hours/ns 29.634 steps/s 2023-02-20 01:47:06,598 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 59.169 -33542 6485 -40027 -40027 0.22977 1.9112 -0.14734 60870 2023-02-20 01:47:08,630 INFO [main.py:643]
{rank 0/100} MD step = 35600 step time: 00:00:00.018142 Performance: 512.146 ns/day 0.047 hours/ns 29.638 steps/s 2023-02-20 01:47:09,919 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 59.564 -33676 6528.2 -40204 -40204 0.22992 1.9105 -0.14707 61014 2023-02-20 01:47:11,846 INFO [main.py:643]
{rank 0/100} MD step = 35700 step time: 00:00:00.018052 Performance: 512.213 ns/day 0.047 hours/ns 29.642 steps/s 2023-02-20 01:47:13,174 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 35700 7140 59.793 -33598 6553.3 -40152 -40152 0.23057 1.911 -0.14784 61170 2023-02-20 01:47:15,044 INFO [main.py:643]
{rank 0/100} MD step = 35800 step time: 00:00:00.017978 Performance: 512.288 ns/day 0.047 hours/ns 29.646 steps/s 2023-02-20 01:47:16,665 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 60.517 -33610 6632.8 -40243 -40243 0.22951 1.9144 -0.14867 61302 2023-02-20 01:47:18,564 INFO [main.py:643]
{rank 0/100} MD step = 35900 step time: 00:00:00.018774 Performance: 512.226 ns/day 0.047 hours/ns 29.643 steps/s 2023-02-20 01:47:20,091 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 59.903 -33611 6565.4 -40176 -40176 0.22828 1.9153 -0.14785 61513 2023-02-20 01:47:21,944 INFO [main.py:643]
{rank 0/100} MD step = 36000 step time: 00:00:00.018093 Performance: 512.223 ns/day 0.047 hours/ns 29.643 steps/s 2023-02-20 01:47:23,262 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 60.343 -33613 6613.7 -40227 -40227 0.22689 1.9163 -0.14616 61679 2023-02-20 01:47:25,196 INFO [main.py:643]
{rank 0/100} MD step = 36100 step time: 00:00:00.018111 Performance: 512.274 ns/day 0.047 hours/ns 29.645 steps/s 2023-02-20 01:47:26,512 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 60.565 -33435 6638 -40073 -40073 0.22615 1.918 -0.14483 61868 2023-02-20 01:47:28,377 INFO [main.py:643]
{rank 0/100} MD step = 36200 step time: 00:00:00.017926 Performance: 512.355 ns/day 0.047 hours/ns 29.650 steps/s 2023-02-20 01:47:29,708 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 60.813 -33446 6665.1 -40111 -40111 0.22698 1.921 -0.14777 62029 2023-02-20 01:47:31,556 INFO [main.py:643]
{rank 0/100} MD step = 36300 step time: 00:00:00.018428 Performance: 512.436 ns/day 0.047 hours/ns 29.655 steps/s 2023-02-20 01:47:33,414 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 59.807 -33636 6554.9 -40191 -40191 0.22514 1.9226 -0.1474 62153 2023-02-20 01:47:35,335 INFO [main.py:643]
{rank 0/100} MD step = 36400 step time: 00:00:00.019524 Performance: 512.266 ns/day 0.047 hours/ns 29.645 steps/s 2023-02-20 01:47:37,065 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 60.182 -33557 6596 -40153 -40153 0.22508 1.9243 -0.14685 62340 2023-02-20 01:47:38,964 INFO [main.py:643]
{rank 0/100} MD step = 36500 step time: 00:00:00.018056 Performance: 512.160 ns/day 0.047 hours/ns 29.639 steps/s 2023-02-20 01:47:40,269 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 36500 7300 60.162 -33365 6593.8 -39959 -39959 0.22413 1.926 -0.14622 62535 2023-02-20 01:47:42,197 INFO [main.py:643]
{rank 0/100} MD step = 36600 step time: 00:00:00.018935 Performance: 512.218 ns/day 0.047 hours/ns 29.642 steps/s 2023-02-20 01:47:43,365 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 59.879 -33666 6562.8 -40229 -40229 0.22485 1.9273 -0.14679 62669 2023-02-20 01:47:45,345 INFO [main.py:643]
{rank 0/100} MD step = 36700 step time: 00:00:00.020297 Performance: 512.311 ns/day 0.047 hours/ns 29.648 steps/s 2023-02-20 01:47:46,705 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 60.095 -33440 6586.5 -40026 -40026 0.22629 1.9297 -0.14808 62853 2023-02-20 01:47:48,560 INFO [main.py:643]
{rank 0/100} MD step = 36800 step time: 00:00:00.018207 Performance: 512.376 ns/day 0.047 hours/ns 29.651 steps/s 2023-02-20 01:47:49,837 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 59.332 -33650 6502.8 -40152 -40152 0.22668 1.9305 -0.14681 63005 2023-02-20 01:47:51,815 INFO [main.py:643]
{rank 0/100} MD step = 36900 step time: 00:00:00.018196 Performance: 512.425 ns/day 0.047 hours/ns 29.654 steps/s 2023-02-20 01:47:53,026 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 59.573 -33621 6529.3 -40151 -40151 0.22882 1.9317 -0.14551 63170 2023-02-20 01:47:55,020 INFO [main.py:643]
{rank 0/100} MD step = 37000 step time: 00:00:00.018671 Performance: 512.493 ns/day 0.047 hours/ns 29.658 steps/s 2023-02-20 01:47:56,227 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 59.221 -33683 6490.7 -40174 -40174 0.22881 1.9316 -0.1447 63343 2023-02-20 01:47:58,178 INFO [main.py:643]
{rank 0/100} MD step = 37100 step time: 00:00:00.018837 Performance: 512.581 ns/day 0.047 hours/ns 29.663 steps/s 2023-02-20 01:47:59,424 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 60.049 -33473 6581.4 -40055 -40055 0.22565 1.9327 -0.14291 63525 2023-02-20 01:48:01,320 INFO [main.py:643]
{rank 0/100} MD step = 37200 step time: 00:00:00.018948 Performance: 512.675 ns/day 0.047 hours/ns 29.669 steps/s 2023-02-20 01:48:02,712 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 61.196 -33378 6707.2 -40085 -40085 0.22523 1.9347 -0.14437 63703 2023-02-20 01:48:04,544 INFO [main.py:643]
{rank 0/100} MD step = 37300 step time: 00:00:00.018392 Performance: 512.735 ns/day 0.047 hours/ns 29.672 steps/s 2023-02-20 01:48:06,149 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 60.02 -33705 6578.2 -40283 -40283 0.22386 1.9362 -0.14475 63828 2023-02-20 01:48:07,987 INFO [main.py:643]
{rank 0/100} MD step = 37400 step time: 00:00:00.019819 Performance: 512.705 ns/day 0.047 hours/ns 29.670 steps/s 2023-02-20 01:48:09,460 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 60.456 -33509 6626 -40135 -40135 0.22171 1.9367 -0.1451 64021 2023-02-20 01:48:11,333 INFO [main.py:643]
{rank 0/100} MD step = 37500 step time: 00:00:00.018320 Performance: 512.715 ns/day 0.047 hours/ns 29.671 steps/s 2023-02-20 01:48:12,950 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 37500 7500 60.239 -33404 6602.3 -40007 -40007 0.2235 1.9393 -0.14287 64206 2023-02-20 01:48:14,960 INFO [main.py:643]
{rank 0/100} MD step = 37600 step time: 00:00:00.018199 Performance: 512.611 ns/day 0.047 hours/ns 29.665 steps/s 2023-02-20 01:48:16,469 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 59.957 -33631 6571.3 -40202 -40202 0.22363 1.9405 -0.14416 64342 2023-02-20 01:48:18,365 INFO [main.py:643]
{rank 0/100} MD step = 37700 step time: 00:00:00.017937 Performance: 512.597 ns/day 0.047 hours/ns 29.664 steps/s 2023-02-20 01:48:19,715 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 37700 7540 60.62 -33481 6644 -40125 -40125 0.22204 1.9419 -0.14521 64553 2023-02-20 01:48:21,621 INFO [main.py:643]
{rank 0/100} MD step = 37800 step time: 00:00:00.018286 Performance: 512.644 ns/day 0.047 hours/ns 29.667 steps/s 2023-02-20 01:48:22,799 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 60.196 -33522 6597.5 -40120 -40120 0.22199 1.9443 -0.14477 64744 2023-02-20 01:48:24,881 INFO [main.py:643]
{rank 0/100} MD step = 37900 step time: 00:00:00.018965 Performance: 512.688 ns/day 0.047 hours/ns 29.669 steps/s 2023-02-20 01:48:30,503 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 60.743 -33526 6657.5 -40184 -40184 0.22354 1.9453 -0.14427 64897 2023-02-20 01:48:32,518 INFO [main.py:643]
{rank 0/100} MD step = 38000 step time: 00:00:00.018091 Performance: 510.986 ns/day 0.047 hours/ns 29.571 steps/s 2023-02-20 01:48:34,015 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 60.043 -33545 6580.8 -40126 -40126 0.22309 1.9468 -0.1452 65092 2023-02-20 01:48:35,922 INFO [main.py:643]
{rank 0/100} MD step = 38100 step time: 00:00:00.018296 Performance: 510.977 ns/day 0.047 hours/ns 29.570 steps/s 2023-02-20 01:48:41,311 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 60.243 -33546 6602.7 -40149 -40149 0.2231 1.9472 -0.14504 65287 2023-02-20 01:48:43,211 INFO [main.py:643]
{rank 0/100} MD step = 38200 step time: 00:00:00.018170 Performance: 509.437 ns/day 0.047 hours/ns 29.481 steps/s 2023-02-20 01:48:50,358 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 60.196 -33567 6597.6 -40165 -40165 0.22266 1.9483 -0.14387 65446 2023-02-20 01:48:52,318 INFO [main.py:643]
{rank 0/100} MD step = 38300 step time: 00:00:00.018056 Performance: 507.205 ns/day 0.047 hours/ns 29.352 steps/s 2023-02-20 01:48:53,804 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 60.467 -33634 6627.2 -40261 -40261 0.22186 1.9483 -0.14416 65635 2023-02-20 01:48:55,721 INFO [main.py:643]
{rank 0/100} MD step = 38400 step time: 00:00:00.018049 Performance: 507.207 ns/day 0.047 hours/ns 29.352 steps/s 2023-02-20 01:48:57,176 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 59.856 -33693 6560.3 -40254 -40254 0.2218 1.9499 -0.14408 65774 2023-02-20 01:48:59,211 INFO [main.py:643]
{rank 0/100} MD step = 38500 step time: 00:00:00.019059 Performance: 507.175 ns/day 0.047 hours/ns 29.350 steps/s 2023-02-20 01:49:00,288 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 59.353 -33768 6505.2 -40273 -40273 0.22105 1.9513 -0.14405 65950 2023-02-20 01:49:02,354 INFO [main.py:643]
{rank 0/100} MD step = 38600 step time: 00:00:00.018174 Performance: 507.276 ns/day 0.047 hours/ns 29.356 steps/s 2023-02-20 01:49:03,837 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 60.174 -33578 6595.1 -40173 -40173 0.22134 1.9532 -0.14334 66157 2023-02-20 01:49:05,705 INFO [main.py:643]
{rank 0/100} MD step = 38700 step time: 00:00:00.020821 Performance: 507.298 ns/day 0.047 hours/ns 29.358 steps/s 2023-02-20 01:49:07,066 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 60.955 -33510 6680.7 -40191 -40191 0.22017 1.9534 -0.14351 66341 2023-02-20 01:49:09,096 INFO [main.py:643]
{rank 0/100} MD step = 38800 step time: 00:00:00.018518 Performance: 507.303 ns/day 0.047 hours/ns 29.358 steps/s 2023-02-20 01:49:10,499 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 59.658 -33538 6538.5 -40077 -40077 0.22125 1.9545 -0.14252 66541 2023-02-20 01:49:12,372 INFO [main.py:643]
{rank 0/100} MD step = 38900 step time: 00:00:00.018305 Performance: 507.353 ns/day 0.047 hours/ns 29.361 steps/s 2023-02-20 01:49:13,909 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 60.354 -33483 6614.8 -40098 -40098 0.22188 1.9566 -0.14269 66678 2023-02-20 01:49:15,773 INFO [main.py:643]
{rank 0/100} MD step = 39000 step time: 00:00:00.019096 Performance: 507.355 ns/day 0.047 hours/ns 29.361 steps/s 2023-02-20 01:49:17,049 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 60.2 -33590 6598 -40188 -40188 0.22278 1.9579 -0.14353 66852 2023-02-20 01:49:18,993 INFO [main.py:643]
{rank 0/100} MD step = 39100 step time: 00:00:00.018279 Performance: 507.426 ns/day 0.047 hours/ns 29.365 steps/s 2023-02-20 01:49:19,786 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 60.956 -33489 6680.9 -40170 -40170 0.22283 1.9599 -0.14271 67037 2023-02-20 01:49:22,159 INFO [main.py:643]
{rank 0/100} MD step = 39200 step time: 00:00:00.018189 Performance: 507.517 ns/day 0.047 hours/ns 29.370 steps/s 2023-02-20 01:49:23,525 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 59.493 -33624 6520.5 -40145 -40145 0.22169 1.9624 -0.14397 67205 2023-02-20 01:49:25,415 INFO [main.py:643]
{rank 0/100} MD step = 39300 step time: 00:00:00.017935 Performance: 507.574 ns/day 0.047 hours/ns 29.373 steps/s 2023-02-20 01:49:26,822 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 39300 7860 60.109 -33452 6588.1 -40040 -40040 0.22144 1.963 -0.14459 67376 2023-02-20 01:49:28,752 INFO [main.py:643]
{rank 0/100} MD step = 39400 step time: 00:00:00.018038 Performance: 507.599 ns/day 0.047 hours/ns 29.375 steps/s 2023-02-20 01:49:30,088 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 59.955 -33420 6571.2 -39991 -39991 0.22273 1.9651 -0.14401 67566 2023-02-20 01:49:32,026 INFO [main.py:643]
{rank 0/100} MD step = 39500 step time: 00:00:00.018656 Performance: 507.649 ns/day 0.047 hours/ns 29.378 steps/s 2023-02-20 01:49:33,449 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 39500 7900 60.836 -33445 6667.7 -40112 -40112 0.22218 1.9681 -0.14323 67765 2023-02-20 01:49:35,316 INFO [main.py:643]
{rank 0/100} MD step = 39600 step time: 00:00:00.018140 Performance: 507.691 ns/day 0.047 hours/ns 29.380 steps/s 2023-02-20 01:49:36,692 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 60.179 -33460 6595.6 -40056 -40056 0.22131 1.9691 -0.14308 67967 2023-02-20 01:49:38,592 INFO [main.py:643]
{rank 0/100} MD step = 39700 step time: 00:00:00.017972 Performance: 507.739 ns/day 0.047 hours/ns 29.383 steps/s 2023-02-20 01:49:40,047 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 59.273 -33455 6496.4 -39951 -39951 0.22112 1.9716 -0.14203 68156 2023-02-20 01:49:41,939 INFO [main.py:643]
{rank 0/100} MD step = 39800 step time: 00:00:00.018567 Performance: 507.760 ns/day 0.047 hours/ns 29.384 steps/s 2023-02-20 01:49:43,243 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 39800 7960 59.756 -33647 6549.3 -40196 -40196 0.21941 1.9718 -0.14273 68317 2023-02-20 01:49:45,124 INFO [main.py:643]
{rank 0/100} MD step = 39900 step time: 00:00:00.018153 Performance: 507.842 ns/day 0.047 hours/ns 29.389 steps/s 2023-02-20 01:49:46,034 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 60.853 -33449 6669.6 -40119 -40119 0.22035 1.9742 -0.14222 68489 2023-02-20 01:49:48,427 INFO [main.py:643]
{rank 0/100} MD step = 40000 step time: 00:00:00.018052 Performance: 507.879 ns/day 0.047 hours/ns 29.391 steps/s 2023-02-20 01:49:49,750 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 59.889 -33617 6563.9 -40181 -40181 0.2195 1.9749 -0.14146 68645 2023-02-20 01:49:51,653 INFO [main.py:643]
{rank 0/100} MD step = 40100 step time: 00:00:00.018168 Performance: 507.945 ns/day 0.047 hours/ns 29.395 steps/s 2023-02-20 01:49:52,867 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 40100 8020 60.124 -33412 6589.6 -40002 -40002 0.21738 1.9759 -0.14216 68816 2023-02-20 01:49:54,795 INFO [main.py:643]
{rank 0/100} MD step = 40200 step time: 00:00:00.018448 Performance: 508.041 ns/day 0.047 hours/ns 29.401 steps/s 2023-02-20 01:49:56,194 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 40200 8040 59.189 -33757 6487.2 -40244 -40244 0.21618 1.9771 -0.14393 68957 2023-02-20 01:49:58,119 INFO [main.py:643]
{rank 0/100} MD step = 40300 step time: 00:00:00.017939 Performance: 508.070 ns/day 0.047 hours/ns 29.402 steps/s 2023-02-20 01:49:59,529 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 60.074 -33501 6584.2 -40086 -40086 0.21738 1.9783 -0.14347 69156 2023-02-20 01:50:01,575 INFO [main.py:643]
{rank 0/100} MD step = 40400 step time: 00:00:00.020027 Performance: 508.050 ns/day 0.047 hours/ns 29.401 steps/s 2023-02-20 01:50:03,123 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 60.606 -33537 6642.5 -40180 -40180 0.21677 1.9798 -0.14183 69304 2023-02-20 01:50:05,002 INFO [main.py:643]
{rank 0/100} MD step = 40500 step time: 00:00:00.018409 Performance: 508.040 ns/day 0.047 hours/ns 29.400 steps/s 2023-02-20 01:50:06,303 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 59.629 -33678 6535.4 -40213 -40213 0.21928 1.9821 -0.14177 69489 2023-02-20 01:50:08,265 INFO [main.py:643]
{rank 0/100} MD step = 40600 step time: 00:00:00.018257 Performance: 508.091 ns/day 0.047 hours/ns 29.403 steps/s 2023-02-20 01:50:09,189 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 59.725 -33560 6545.9 -40106 -40106 0.21976 1.9835 -0.14273 69690 2023-02-20 01:50:11,575 INFO [main.py:643]
{rank 0/100} MD step = 40700 step time: 00:00:00.018098 Performance: 508.124 ns/day 0.047 hours/ns 29.405 steps/s 2023-02-20 01:50:13,030 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 40700 8140 59.868 -33505 6561.6 -40067 -40067 0.22075 1.9839 -0.14186 69863 2023-02-20 01:50:14,976 INFO [main.py:643]
{rank 0/100} MD step = 40800 step time: 00:00:00.018449 Performance: 508.124 ns/day 0.047 hours/ns 29.405 steps/s 2023-02-20 01:50:15,864 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 59.767 -33700 6550.6 -40250 -40250 0.21814 1.9868 -0.1432 70003 2023-02-20 01:50:18,303 INFO [main.py:643]
{rank 0/100} MD step = 40900 step time: 00:00:00.018148 Performance: 508.151 ns/day 0.047 hours/ns 29.407 steps/s 2023-02-20 01:50:19,731 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 40900 8180 61.236 -33351 6711.5 -40062 -40062 0.21771 1.9875 -0.1421 70192 2023-02-20 01:50:21,616 INFO [main.py:643]
{rank 0/100} MD step = 41000 step time: 00:00:00.018277 Performance: 508.183 ns/day 0.047 hours/ns 29.409 steps/s 2023-02-20 01:50:22,806 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 60.258 -33445 6604.3 -40050 -40050 0.21311 1.9894 -0.14351 70348 2023-02-20 01:50:24,793 INFO [main.py:643]
{rank 0/100} MD step = 41100 step time: 00:00:00.018462 Performance: 508.265 ns/day 0.047 hours/ns 29.413 steps/s 2023-02-20 01:50:26,022 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 60.336 -33516 6612.9 -40129 -40129 0.21182 1.9902 -0.14394 70534 2023-02-20 01:50:27,955 INFO [main.py:643]
{rank 0/100} MD step = 41200 step time: 00:00:00.020911 Performance: 508.351 ns/day 0.047 hours/ns 29.418 steps/s 2023-02-20 01:50:29,213 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 59.425 -33535 6513 -40048 -40048 0.21041 1.9921 -0.1443 70720 2023-02-20 01:50:31,117 INFO [main.py:643]
{rank 0/100} MD step = 41300 step time: 00:00:00.018109 Performance: 508.437 ns/day 0.047 hours/ns 29.423 steps/s 2023-02-20 01:50:32,489 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 60.389 -33485 6618.7 -40104 -40104 0.21315 1.994 -0.14564 70866 2023-02-20 01:50:34,407 INFO [main.py:643]
{rank 0/100} MD step = 41400 step time: 00:00:00.018066 Performance: 508.476 ns/day 0.047 hours/ns 29.426 steps/s 2023-02-20 01:50:35,877 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 59.107 -33564 6478.2 -40042 -40042 0.21235 1.9949 -0.14512 71038 2023-02-20 01:50:37,772 INFO [main.py:643]
{rank 0/100} MD step = 41500 step time: 00:00:00.018445 Performance: 508.488 ns/day 0.047 hours/ns 29.426 steps/s 2023-02-20 01:50:39,188 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 59.25 -33544 6493.9 -40038 -40038 0.21079 1.9949 -0.14605 71209 2023-02-20 01:50:41,105 INFO [main.py:643]
{rank 0/100} MD step = 41600 step time: 00:00:00.018426 Performance: 508.511 ns/day 0.047 hours/ns 29.428 steps/s 2023-02-20 01:50:42,419 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 59.985 -33551 6574.4 -40125 -40125 0.21055 1.9974 -0.14801 71378 2023-02-20 01:50:44,348 INFO [main.py:643]
{rank 0/100} MD step = 41700 step time: 00:00:00.018045 Performance: 508.567 ns/day 0.047 hours/ns 29.431 steps/s 2023-02-20 01:50:45,696 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 60.678 -33449 6650.4 -40100 -40100 0.21022 1.997 -0.1479 71564 2023-02-20 01:50:47,648 INFO [main.py:643]
{rank 0/100} MD step = 41800 step time: 00:00:00.037469 Performance: 508.602 ns/day 0.047 hours/ns 29.433 steps/s 2023-02-20 01:50:48,979 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 60.428 -33428 6623 -40051 -40051 0.21038 1.9985 -0.14744 71736 2023-02-20 01:50:50,844 INFO [main.py:643]
{rank 0/100} MD step = 41900 step time: 00:00:00.018017 Performance: 508.674 ns/day 0.047 hours/ns 29.437 steps/s 2023-02-20 01:50:54,641 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 59.264 -33703 6495.4 -40199 -40199 0.21128 2.0006 -0.14639 71865 2023-02-20 01:50:56,507 INFO [main.py:643]
{rank 0/100} MD step = 42000 step time: 00:00:00.018024 Performance: 507.868 ns/day 0.047 hours/ns 29.390 steps/s 2023-02-20 01:50:58,242 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 59.86 -33457 6560.7 -40018 -40018 0.21125 2.0022 -0.14634 72047 2023-02-20 01:51:00,099 INFO [main.py:643]
{rank 0/100} MD step = 42100 step time: 00:00:00.018269 Performance: 507.800 ns/day 0.047 hours/ns 29.387 steps/s 2023-02-20 01:51:04,053 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 42100 8420 59.462 -33669 6517.1 -40187 -40187 0.21184 2.0033 -0.14627 72207 2023-02-20 01:51:05,925 INFO [main.py:643]
{rank 0/100} MD step = 42200 step time: 00:00:00.018443 Performance: 506.945 ns/day 0.047 hours/ns 29.337 steps/s 2023-02-20 01:51:12,795 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 59.353 -33674 6505.2 -40179 -40179 0.21098 2.0041 -0.14681 72385 2023-02-20 01:51:14,830 INFO [main.py:643]
{rank 0/100} MD step = 42300 step time: 00:00:00.018178 Performance: 505.020 ns/day 0.048 hours/ns 29.226 steps/s 2023-02-20 01:51:16,862 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 59.122 -33604 6479.8 -40084 -40084 0.21159 2.0053 -0.14568 72566 2023-02-20 01:51:18,884 INFO [main.py:643]
{rank 0/100} MD step = 42400 step time: 00:00:00.018020 Performance: 504.800 ns/day 0.048 hours/ns 29.213 steps/s 2023-02-20 01:51:20,257 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 59.126 -33591 6480.2 -40071 -40071 0.21188 2.0076 -0.1449 72766 2023-02-20 01:51:22,326 INFO [main.py:643]
{rank 0/100} MD step = 42500 step time: 00:00:00.018180 Performance: 504.793 ns/day 0.048 hours/ns 29.213 steps/s 2023-02-20 01:51:23,799 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 59.133 -33599 6481 -40080 -40080 0.21136 2.0087 -0.14512 72950 2023-02-20 01:51:25,665 INFO [main.py:643]
{rank 0/100} MD step = 42600 step time: 00:00:00.018062 Performance: 504.823 ns/day 0.048 hours/ns 29.214 steps/s 2023-02-20 01:51:27,241 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 59.623 -33589 6534.7 -40123 -40123 0.21141 2.0094 -0.14557 73092 2023-02-20 01:51:29,105 INFO [main.py:643]
{rank 0/100} MD step = 42700 step time: 00:00:00.018302 Performance: 504.817 ns/day 0.048 hours/ns 29.214 steps/s 2023-02-20 01:51:30,329 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 60.182 -33450 6596 -40046 -40046 0.21312 2.0094 -0.14568 73267 2023-02-20 01:51:32,185 INFO [main.py:643]
{rank 0/100} MD step = 42800 step time: 00:00:00.018353 Performance: 504.935 ns/day 0.048 hours/ns 29.221 steps/s 2023-02-20 01:51:33,801 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 59.804 -33659 6554.6 -40213 -40213 0.21589 2.0101 -0.14567 73400 2023-02-20 01:51:35,727 INFO [main.py:643]
{rank 0/100} MD step = 42900 step time: 00:00:00.018128 Performance: 504.894 ns/day 0.048 hours/ns 29.218 steps/s 2023-02-20 01:51:37,030 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 42900 8580 60.235 -33579 6601.9 -40181 -40181 0.21613 2.0105 -0.14538 73565 2023-02-20 01:51:38,915 INFO [main.py:643]
{rank 0/100} MD step = 43000 step time: 00:00:00.017993 Performance: 504.974 ns/day 0.048 hours/ns 29.223 steps/s 2023-02-20 01:51:40,189 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 59.227 -33573 6491.4 -40064 -40064 0.21592 2.0117 -0.14386 73767 2023-02-20 01:51:42,143 INFO [main.py:643]
{rank 0/100} MD step = 43100 step time: 00:00:00.018455 Performance: 505.040 ns/day 0.048 hours/ns 29.227 steps/s 2023-02-20 01:51:43,470 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 58.889 -33730 6454.3 -40184 -40184 0.21742 2.0131 -0.1453 73941 2023-02-20 01:51:45,451 INFO [main.py:643]
{rank 0/100} MD step = 43200 step time: 00:00:00.018148 Performance: 505.079 ns/day 0.048 hours/ns 29.229 steps/s 2023-02-20 01:51:47,120 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 59.927 -33490 6568.1 -40058 -40058 0.21744 2.0146 -0.14471 74136 2023-02-20 01:51:48,971 INFO [main.py:643]
{rank 0/100} MD step = 43300 step time: 00:00:00.019520 Performance: 505.046 ns/day 0.048 hours/ns 29.227 steps/s 2023-02-20 01:51:50,301 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 60.344 -33549 6613.7 -40162 -40162 0.21701 2.0169 -0.14386 74293 2023-02-20 01:51:52,232 INFO [main.py:643]
{rank 0/100} MD step = 43400 step time: 00:00:00.018123 Performance: 505.100 ns/day 0.048 hours/ns 29.230 steps/s 2023-02-20 01:51:53,577 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 43400 8680 59.104 -33706 6477.8 -40184 -40184 0.21809 2.0178 -0.14389 74473 2023-02-20 01:51:55,441 INFO [main.py:643]
{rank 0/100} MD step = 43500 step time: 00:00:00.017975 Performance: 505.172 ns/day 0.048 hours/ns 29.235 steps/s 2023-02-20 01:51:56,870 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 59.817 -33666 6556 -40222 -40222 0.21806 2.0188 -0.1431 74634 2023-02-20 01:51:58,753 INFO [main.py:643]
{rank 0/100} MD step = 43600 step time: 00:00:00.018135 Performance: 505.209 ns/day 0.048 hours/ns 29.237 steps/s 2023-02-20 01:52:00,178 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 59.96 -33446 6571.6 -40018 -40018 0.21907 2.0207 -0.14313 74830 2023-02-20 01:52:02,214 INFO [main.py:643]
{rank 0/100} MD step = 43700 step time: 00:00:00.018046 Performance: 505.195 ns/day 0.048 hours/ns 29.236 steps/s 2023-02-20 01:52:03,709 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 43700 8740 59.182 -33581 6486.4 -40067 -40067 0.21756 2.0233 -0.14414 75003 2023-02-20 01:52:05,581 INFO [main.py:643]
{rank 0/100} MD step = 43800 step time: 00:00:00.018498 Performance: 505.213 ns/day 0.048 hours/ns 29.237 steps/s 2023-02-20 01:52:07,891 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 43800 8760 60.855 -33480 6669.8 -40149 -40149 0.21687 2.0234 -0.14523 75168 2023-02-20 01:52:09,827 INFO [main.py:643]
{rank 0/100} MD step = 43900 step time: 00:00:00.018540 Performance: 504.936 ns/day 0.048 hours/ns 29.221 steps/s 2023-02-20 01:52:11,035 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 59.187 -33760 6486.9 -40247 -40247 0.21717 2.0261 -0.14639 75319 2023-02-20 01:52:13,000 INFO [main.py:643]
{rank 0/100} MD step = 44000 step time: 00:00:00.019254 Performance: 505.019 ns/day 0.048 hours/ns 29.226 steps/s 2023-02-20 01:52:15,411 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 44000 8800 58.563 -33563 6418.6 -39981 -39981 0.21761 2.0293 -0.14715 75512 2023-02-20 01:52:17,263 INFO [main.py:643]
{rank 0/100} MD step = 44100 step time: 00:00:00.018180 Performance: 504.738 ns/day 0.048 hours/ns 29.209 steps/s 2023-02-20 01:52:18,818 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 44100 8820 60.421 -33563 6622.2 -40185 -40185 0.21876 2.0304 -0.14978 75667 2023-02-20 01:52:20,765 INFO [main.py:643]
{rank 0/100} MD step = 44200 step time: 00:00:00.018176 Performance: 504.712 ns/day 0.048 hours/ns 29.208 steps/s 2023-02-20 01:52:22,130 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 59.621 -33631 6534.6 -40165 -40165 0.21975 2.033 -0.14768 75846 2023-02-20 01:52:24,117 INFO [main.py:643]
{rank 0/100} MD step = 44300 step time: 00:00:00.018096 Performance: 504.736 ns/day 0.048 hours/ns 29.209 steps/s 2023-02-20 01:52:25,793 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 60.059 -33545 6582.5 -40128 -40128 0.2214 2.035 -0.14908 76000 2023-02-20 01:52:27,734 INFO [main.py:643]
{rank 0/100} MD step = 44400 step time: 00:00:00.019150 Performance: 504.671 ns/day 0.048 hours/ns 29.206 steps/s 2023-02-20 01:52:29,098 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 60.159 -33558 6593.5 -40152 -40152 0.22336 2.0355 -0.14849 76187 2023-02-20 01:52:31,094 INFO [main.py:643]
{rank 0/100} MD step = 44500 step time: 00:00:00.018580 Performance: 504.693 ns/day 0.048 hours/ns 29.207 steps/s 2023-02-20 01:52:32,277 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 60.178 -33510 6595.6 -40105 -40105 0.22245 2.0366 -0.14874 76344 2023-02-20 01:52:34,339 INFO [main.py:643]
{rank 0/100} MD step = 44600 step time: 00:00:00.018924 Performance: 504.752 ns/day 0.048 hours/ns 29.210 steps/s 2023-02-20 01:52:36,075 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 60.249 -33563 6603.3 -40166 -40166 0.22116 2.0362 -0.14906 76496 2023-02-20 01:52:38,006 INFO [main.py:643]
{rank 0/100} MD step = 44700 step time: 00:00:00.018187 Performance: 504.671 ns/day 0.048 hours/ns 29.206 steps/s 2023-02-20 01:52:38,867 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 60.291 -33596 6608 -40204 -40204 0.2231 2.0371 -0.14887 76661 2023-02-20 01:52:41,242 INFO [main.py:643]
{rank 0/100} MD step = 44800 step time: 00:00:00.018017 Performance: 504.733 ns/day 0.048 hours/ns 29.209 steps/s 2023-02-20 01:52:42,514 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 59.33 -33712 6502.6 -40215 -40215 0.22274 2.0389 -0.14824 76853 2023-02-20 01:52:44,431 INFO [main.py:643]
{rank 0/100} MD step = 44900 step time: 00:00:00.018050 Performance: 504.810 ns/day 0.048 hours/ns 29.214 steps/s 2023-02-20 01:52:50,330 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 60.4 -33575 6619.9 -40195 -40195 0.22258 2.0398 -0.14977 77033 2023-02-20 01:52:52,231 INFO [main.py:643]
{rank 0/100} MD step = 45000 step time: 00:00:00.018540 Performance: 503.380 ns/day 0.048 hours/ns 29.131 steps/s 2023-02-20 01:52:56,427 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 60.443 -33687 6624.6 -40311 -40311 0.22103 2.0401 -0.1506 77205 2023-02-20 01:52:58,323 INFO [main.py:643]
{rank 0/100} MD step = 45100 step time: 00:00:00.018739 Performance: 502.517 ns/day 0.048 hours/ns 29.081 steps/s 2023-02-20 01:52:59,628 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 59.659 -33573 6538.7 -40112 -40112 0.22193 2.0428 -0.14999 77387 2023-02-20 01:53:01,655 INFO [main.py:643]
{rank 0/100} MD step = 45200 step time: 00:00:00.018158 Performance: 502.551 ns/day 0.048 hours/ns 29.083 steps/s 2023-02-20 01:53:08,737 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 59.722 -33550 6545.6 -40096 -40096 0.22142 2.0442 -0.14938 77542 2023-02-20 01:53:11,633 INFO [main.py:643]
{rank 0/100} MD step = 45300 step time: 00:00:00.018442 Performance: 500.450 ns/day 0.048 hours/ns 28.961 steps/s 2023-02-20 01:53:12,446 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 58.67 -33755 6430.3 -40185 -40185 0.22295 2.0446 -0.14919 77678 2023-02-20 01:53:18,678 INFO [main.py:643]
{rank 0/100} MD step = 45400 step time: 00:00:00.017989 Performance: 499.306 ns/day 0.048 hours/ns 28.895 steps/s 2023-02-20 01:53:19,952 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 59.754 -33580 6549.2 -40130 -40130 0.22241 2.0447 -0.14809 77858 2023-02-20 01:53:21,917 INFO [main.py:643]
{rank 0/100} MD step = 45500 step time: 00:00:00.018244 Performance: 499.376 ns/day 0.048 hours/ns 28.899 steps/s 2023-02-20 01:53:23,169 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 60.108 -33518 6587.9 -40106 -40106 0.22264 2.0454 -0.14835 78030 2023-02-20 01:53:25,086 INFO [main.py:643]
{rank 0/100} MD step = 45600 step time: 00:00:00.018027 Performance: 499.469 ns/day 0.048 hours/ns 28.904 steps/s 2023-02-20 01:53:26,313 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 59.961 -33575 6571.7 -40147 -40147 0.22218 2.0467 -0.14946 78214 2023-02-20 01:53:28,257 INFO [main.py:643]
{rank 0/100} MD step = 45700 step time: 00:00:00.018273 Performance: 499.560 ns/day 0.048 hours/ns 28.910 steps/s 2023-02-20 01:53:29,506 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 59.273 -33624 6496.3 -40121 -40121 0.22137 2.0481 -0.14941 78358 2023-02-20 01:53:31,443 INFO [main.py:643]
{rank 0/100} MD step = 45800 step time: 00:00:00.018262 Performance: 499.646 ns/day 0.048 hours/ns 28.915 steps/s 2023-02-20 01:53:32,712 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 59.248 -33538 6493.7 -40032 -40032 0.22025 2.0501 -0.15022 78580 2023-02-20 01:53:34,620 INFO [main.py:643]
{rank 0/100} MD step = 45900 step time: 00:00:00.018446 Performance: 499.735 ns/day 0.048 hours/ns 28.920 steps/s 2023-02-20 01:53:35,464 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 60.391 -33528 6619 -40147 -40147 0.22169 2.0524 -0.14963 78736 2023-02-20 01:53:37,787 INFO [main.py:643]
{rank 0/100} MD step = 46000 step time: 00:00:00.018395 Performance: 499.826 ns/day 0.048 hours/ns 28.925 steps/s 2023-02-20 01:53:39,039 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 60.683 -33461 6650.9 -40112 -40112 0.22313 2.0537 -0.14932 78900 2023-02-20 01:53:40,902 INFO [main.py:643]
{rank 0/100} MD step = 46100 step time: 00:00:00.018210 Performance: 499.933 ns/day 0.048 hours/ns 28.931 steps/s 2023-02-20 01:53:42,257 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 60.654 -33650 6647.8 -40298 -40298 0.22417 2.055 -0.14999 79079 2023-02-20 01:53:44,096 INFO [main.py:643]
{rank 0/100} MD step = 46200 step time: 00:00:00.019171 Performance: 500.015 ns/day 0.048 hours/ns 28.936 steps/s 2023-02-20 01:53:45,302 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 59.76 -33580 6549.8 -40129 -40129 0.22457 2.056 -0.15243 79252 2023-02-20 01:53:47,220 INFO [main.py:643]
{rank 0/100} MD step = 46300 step time: 00:00:00.018069 Performance: 500.119 ns/day 0.048 hours/ns 28.942 steps/s 2023-02-20 01:53:48,431 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 59.924 -33577 6567.8 -40144 -40144 0.22565 2.0578 -0.14946 79437 2023-02-20 01:53:50,380 INFO [main.py:643]
{rank 0/100} MD step = 46400 step time: 00:00:00.017959 Performance: 500.211 ns/day 0.048 hours/ns 28.947 steps/s 2023-02-20 01:53:51,731 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 58.899 -33665 6455.4 -40120 -40120 0.22794 2.0575 -0.149 79585 2023-02-20 01:53:53,595 INFO [main.py:643]
{rank 0/100} MD step = 46500 step time: 00:00:00.018389 Performance: 500.286 ns/day 0.048 hours/ns 28.952 steps/s 2023-02-20 01:53:55,004 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 59.395 -33679 6509.7 -40189 -40189 0.22885 2.0583 -0.14789 79718 2023-02-20 01:53:56,923 INFO [main.py:643]
{rank 0/100} MD step = 46600 step time: 00:00:00.020399 Performance: 500.325 ns/day 0.048 hours/ns 28.954 steps/s 2023-02-20 01:53:58,214 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 60.491 -33479 6629.9 -40109 -40109 0.22929 2.0602 -0.14809 79903 2023-02-20 01:54:00,135 INFO [main.py:643]
{rank 0/100} MD step = 46700 step time: 00:00:00.018385 Performance: 500.400 ns/day 0.048 hours/ns 28.958 steps/s 2023-02-20 01:54:01,298 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 46700 9340 59.292 -33692 6498.4 -40190 -40190 0.22903 2.0615 -0.14713 80067 2023-02-20 01:54:03,250 INFO [main.py:643]
{rank 0/100} MD step = 46800 step time: 00:00:00.018238 Performance: 500.505 ns/day 0.048 hours/ns 28.964 steps/s 2023-02-20 01:54:04,646 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 46800 9360 59.268 -33716 6495.8 -40212 -40212 0.23051 2.0623 -0.14601 80257 2023-02-20 01:54:06,467 INFO [main.py:643]
{rank 0/100} MD step = 46900 step time: 00:00:00.018109 Performance: 500.578 ns/day 0.048 hours/ns 28.969 steps/s 2023-02-20 01:54:07,692 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 60.717 -33540 6654.7 -40194 -40194 0.23216 2.0654 -0.14551 80403 2023-02-20 01:54:09,637 INFO [main.py:643]
{rank 0/100} MD step = 47000 step time: 00:00:00.017900 Performance: 500.665 ns/day 0.048 hours/ns 28.974 steps/s 2023-02-20 01:54:10,881 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 60.39 -33480 6618.8 -40099 -40099 0.23305 2.0683 -0.14521 80617 2023-02-20 01:54:12,807 INFO [main.py:643]
{rank 0/100} MD step = 47100 step time: 00:00:00.018621 Performance: 500.751 ns/day 0.048 hours/ns 28.979 steps/s 2023-02-20 01:54:13,617 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 59.967 -33516 6572.5 -40089 -40089 0.2342 2.0697 -0.14496 80747 2023-02-20 01:54:15,981 INFO [main.py:643]
{rank 0/100} MD step = 47200 step time: 00:00:00.021704 Performance: 500.837 ns/day 0.048 hours/ns 28.984 steps/s 2023-02-20 01:54:17,258 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 59.793 -33676 6553.4 -40229 -40229 0.23597 2.0728 -0.14572 80922 2023-02-20 01:54:19,204 INFO [main.py:643]
{rank 0/100} MD step = 47300 step time: 00:00:00.018236 Performance: 500.906 ns/day 0.048 hours/ns 28.988 steps/s 2023-02-20 01:54:20,362 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 59.91 -33431 6566.2 -39997 -39997 0.23767 2.0744 -0.14707 81116 2023-02-20 01:54:22,287 INFO [main.py:643]
{rank 0/100} MD step = 47400 step time: 00:00:00.018296 Performance: 501.019 ns/day 0.048 hours/ns 28.994 steps/s 2023-02-20 01:54:23,483 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 59.973 -33564 6573.1 -40137 -40137 0.23889 2.0762 -0.14785 81278 2023-02-20 01:54:25,698 INFO [main.py:643]
{rank 0/100} MD step = 47500 step time: 00:00:00.018004 Performance: 501.030 ns/day 0.048 hours/ns 28.995 steps/s 2023-02-20 01:54:27,005 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 59.281 -33655 6497.3 -40152 -40152 0.24036 2.0778 -0.14798 81458 2023-02-20 01:54:28,857 INFO [main.py:643]
{rank 0/100} MD step = 47600 step time: 00:00:00.018164 Performance: 501.119 ns/day 0.048 hours/ns 29.000 steps/s 2023-02-20 01:54:30,136 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 59.652 -33661 6538 -40199 -40199 0.24276 2.0797 -0.14727 81604 2023-02-20 01:54:31,979 INFO [main.py:643]
{rank 0/100} MD step = 47700 step time: 00:00:00.018723 Performance: 501.218 ns/day 0.048 hours/ns 29.006 steps/s 2023-02-20 01:54:33,246 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 60.101 -33658 6587.1 -40245 -40245 0.24195 2.0811 -0.1495 81780 2023-02-20 01:54:35,097 INFO [main.py:643]
{rank 0/100} MD step = 47800 step time: 00:00:00.018167 Performance: 501.318 ns/day 0.048 hours/ns 29.011 steps/s 2023-02-20 01:54:36,286 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 59.285 -33570 6497.7 -40067 -40067 0.245 2.0816 -0.14942 81984 2023-02-20 01:54:38,278 INFO [main.py:643]
{rank 0/100} MD step = 47900 step time: 00:00:00.018056 Performance: 501.399 ns/day 0.048 hours/ns 29.016 steps/s 2023-02-20 01:54:39,516 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 60.137 -33495 6591.1 -40086 -40086 0.2456 2.0828 -0.14928 82153 2023-02-20 01:54:41,454 INFO [main.py:643]
{rank 0/100} MD step = 48000 step time: 00:00:00.018300 Performance: 501.481 ns/day 0.048 hours/ns 29.021 steps/s 2023-02-20 01:54:42,705 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 48000 9600 60.539 -33379 6635.1 -40014 -40014 0.24617 2.0852 -0.14669 82328 2023-02-20 01:54:44,568 INFO [main.py:643]
{rank 0/100} MD step = 48100 step time: 00:00:00.018545 Performance: 501.582 ns/day 0.048 hours/ns 29.027 steps/s 2023-02-20 01:54:45,685 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 58.95 -33752 6461 -40213 -40213 0.24739 2.0871 -0.14725 82480 2023-02-20 01:54:47,725 INFO [main.py:643]
{rank 0/100} MD step = 48200 step time: 00:00:00.018261 Performance: 501.669 ns/day 0.048 hours/ns 29.032 steps/s 2023-02-20 01:54:48,992 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 60.455 -33568 6625.9 -40194 -40194 0.24761 2.0885 -0.14845 82655 2023-02-20 01:54:50,912 INFO [main.py:643]
{rank 0/100} MD step = 48300 step time: 00:00:00.018187 Performance: 501.746 ns/day 0.048 hours/ns 29.036 steps/s 2023-02-20 01:54:52,179 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 59.613 -33518 6533.7 -40052 -40052 0.24941 2.0893 -0.14807 82817 2023-02-20 01:54:54,115 INFO [main.py:643]
{rank 0/100} MD step = 48400 step time: 00:00:00.018060 Performance: 501.819 ns/day 0.048 hours/ns 29.040 steps/s 2023-02-20 01:54:55,285 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 60.067 -33531 6583.4 -40114 -40114 0.24983 2.0914 -0.14799 82992 2023-02-20 01:54:57,267 INFO [main.py:643]
{rank 0/100} MD step = 48500 step time: 00:00:00.018093 Performance: 501.906 ns/day 0.048 hours/ns 29.046 steps/s 2023-02-20 01:54:58,583 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 60.547 -33564 6636 -40200 -40200 0.24977 2.0924 -0.14717 83110 2023-02-20 01:55:00,596 INFO [main.py:643]
{rank 0/100} MD step = 48600 step time: 00:00:00.018126 Performance: 501.940 ns/day 0.048 hours/ns 29.047 steps/s 2023-02-20 01:55:01,867 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 60 -33500 6576.1 -40076 -40076 0.24885 2.0937 -0.14853 83333 2023-02-20 01:55:03,811 INFO [main.py:643]
{rank 0/100} MD step = 48700 step time: 00:00:00.017992 Performance: 502.009 ns/day 0.048 hours/ns 29.051 steps/s 2023-02-20 01:55:05,102 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 60.518 -33427 6632.9 -40060 -40060 0.2483 2.0958 -0.14877 83492 2023-02-20 01:55:07,015 INFO [main.py:643]
{rank 0/100} MD step = 48800 step time: 00:00:00.018382 Performance: 502.080 ns/day 0.048 hours/ns 29.056 steps/s 2023-02-20 01:55:08,251 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 60.82 -33462 6665.9 -40128 -40128 0.24759 2.0971 -0.14782 83656 2023-02-20 01:55:10,173 INFO [main.py:643]
{rank 0/100} MD step = 48900 step time: 00:00:00.018067 Performance: 502.164 ns/day 0.048 hours/ns 29.060 steps/s 2023-02-20 01:55:11,335 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 48900 9780 59.961 -33554 6571.8 -40126 -40126 0.2478 2.0994 -0.14889 83821 2023-02-20 01:55:13,250 INFO [main.py:643]
{rank 0/100} MD step = 49000 step time: 00:00:00.018215 Performance: 502.273 ns/day 0.048 hours/ns 29.067 steps/s 2023-02-20 01:55:14,497 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 49000 9800 59.58 -33541 6530 -40071 -40071 0.24783 2.1 -0.14741 84007 2023-02-20 01:55:16,415 INFO [main.py:643]
{rank 0/100} MD step = 49100 step time: 00:00:00.018374 Performance: 502.355 ns/day 0.048 hours/ns 29.071 steps/s 2023-02-20 01:55:17,825 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 60.379 -33508 6617.7 -40126 -40126 0.24737 2.1013 -0.1465 84175 2023-02-20 01:55:19,733 INFO [main.py:643]
{rank 0/100} MD step = 49200 step time: 00:00:00.018349 Performance: 502.391 ns/day 0.048 hours/ns 29.074 steps/s 2023-02-20 01:55:21,026 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 59.717 -33526 6545 -40071 -40071 0.24803 2.1021 -0.14626 84340 2023-02-20 01:55:22,974 INFO [main.py:643]
{rank 0/100} MD step = 49300 step time: 00:00:00.019063 Performance: 502.450 ns/day 0.048 hours/ns 29.077 steps/s 2023-02-20 01:55:24,181 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 49300 9860 60.174 -33569 6595.1 -40164 -40164 0.25053 2.1048 -0.14492 84486 2023-02-20 01:55:26,157 INFO [main.py:643]
{rank 0/100} MD step = 49400 step time: 00:00:00.018770 Performance: 502.526 ns/day 0.048 hours/ns 29.081 steps/s 2023-02-20 01:55:27,387 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 59.911 -33474 6566.3 -40040 -40040 0.25215 2.1072 -0.14322 84704 2023-02-20 01:55:29,249 INFO [main.py:643]
{rank 0/100} MD step = 49500 step time: 00:00:00.018501 Performance: 502.628 ns/day 0.048 hours/ns 29.087 steps/s 2023-02-20 01:55:30,573 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 49500 9900 60.307 -33427 6609.8 -40037 -40037 0.25472 2.1079 -0.14224 84851 2023-02-20 01:55:32,495 INFO [main.py:643]
{rank 0/100} MD step = 49600 step time: 00:00:00.018209 Performance: 502.685 ns/day 0.048 hours/ns 29.091 steps/s 2023-02-20 01:55:33,845 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 59.626 -33601 6535.1 -40137 -40137 0.25608 2.108 -0.14156 85030 2023-02-20 01:55:35,708 INFO [main.py:643]
{rank 0/100} MD step = 49700 step time: 00:00:00.018298 Performance: 502.751 ns/day 0.048 hours/ns 29.094 steps/s 2023-02-20 01:55:36,978 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 59.451 -33602 6515.9 -40118 -40118 0.25782 2.1106 -0.14138 85205 2023-02-20 01:55:38,844 INFO [main.py:643]
{rank 0/100} MD step = 49800 step time: 00:00:00.018551 Performance: 502.839 ns/day 0.048 hours/ns 29.099 steps/s 2023-02-20 01:55:40,102 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 60.593 -33582 6641.1 -40223 -40223 0.26047 2.1108 -0.14063 85342 2023-02-20 01:55:41,980 INFO [main.py:643]
{rank 0/100} MD step = 49900 step time: 00:00:00.018059 Performance: 502.927 ns/day 0.048 hours/ns 29.105 steps/s 2023-02-20 01:55:43,239 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 59.737 -33524 6547.3 -40071 -40071 0.26033 2.1107 -0.14254 85513 2023-02-20 01:55:45,188 INFO [main.py:643]
{rank 0/100} MD step = 50000 step time: 00:00:00.018269 Performance: 502.994 ns/day 0.048 hours/ns 29.108 steps/s 2023-02-20 01:55:46,503 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 60.925 -33498 6677.5 -40176 -40176 0.26203 2.1118 -0.14189 85674 2023-02-20 01:55:48,343 INFO [main.py:643]
{rank 0/100} MD step = 50100 step time: 00:00:00.018371 Performance: 503.076 ns/day 0.048 hours/ns 29.113 steps/s 2023-02-20 01:55:49,626 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 59.76 -33679 6549.7 -40229 -40229 0.26283 2.1127 -0.14267 85844 2023-02-20 01:55:51,465 INFO [main.py:643]
{rank 0/100} MD step = 50200 step time: 00:00:00.018188 Performance: 503.167 ns/day 0.048 hours/ns 29.118 steps/s 2023-02-20 01:55:53,222 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 60.363 -33531 6615.9 -40147 -40147 0.26405 2.1119 -0.14083 86004 2023-02-20 01:55:55,082 INFO [main.py:643]
{rank 0/100} MD step = 50300 step time: 00:00:00.017945 Performance: 503.114 ns/day 0.048 hours/ns 29.115 steps/s 2023-02-20 01:55:56,172 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 60.24 -33636 6602.4 -40239 -40239 0.26451 2.1136 -0.14031 86145 2023-02-20 01:55:58,188 INFO [main.py:643]
{rank 0/100} MD step = 50400 step time: 00:00:00.017993 Performance: 503.209 ns/day 0.048 hours/ns 29.121 steps/s 2023-02-20 01:55:59,474 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 60.346 -33550 6613.9 -40163 -40163 0.26648 2.1147 -0.13873 86357 2023-02-20 01:56:01,384 INFO [main.py:643]
{rank 0/100} MD step = 50500 step time: 00:00:00.018033 Performance: 503.279 ns/day 0.048 hours/ns 29.125 steps/s 2023-02-20 01:56:02,695 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 60.495 -33428 6630.3 -40058 -40058 0.26624 2.1176 -0.13722 86518 2023-02-20 01:56:04,630 INFO [main.py:643]
{rank 0/100} MD step = 50600 step time: 00:00:00.018200 Performance: 503.333 ns/day 0.048 hours/ns 29.128 steps/s 2023-02-20 01:56:05,839 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 60.267 -33605 6605.4 -40210 -40210 0.26871 2.1185 -0.13692 86666 2023-02-20 01:56:08,495 INFO [main.py:643]
{rank 0/100} MD step = 50700 step time: 00:00:00.018000 Performance: 503.208 ns/day 0.048 hours/ns 29.121 steps/s 2023-02-20 01:56:09,674 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 60 -33521 6576.1 -40097 -40097 0.26988 2.1196 -0.13763 86871 2023-02-20 01:56:11,583 INFO [main.py:643]
{rank 0/100} MD step = 50800 step time: 00:00:00.017983 Performance: 503.308 ns/day 0.048 hours/ns 29.127 steps/s 2023-02-20 01:56:12,869 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 59.2 -33604 6488.4 -40093 -40093 0.27357 2.1233 -0.13683 87055 2023-02-20 01:56:14,766 INFO [main.py:643]
{rank 0/100} MD step = 50900 step time: 00:00:00.019249 Performance: 503.380 ns/day 0.048 hours/ns 29.131 steps/s 2023-02-20 01:56:16,067 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 59.224 -33662 6491 -40153 -40153 0.27256 2.1229 -0.13579 87170 2023-02-20 01:56:17,958 INFO [main.py:643]
{rank 0/100} MD step = 51000 step time: 00:00:00.021588 Performance: 503.449 ns/day 0.048 hours/ns 29.135 steps/s 2023-02-20 01:56:19,213 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 60.277 -33488 6606.4 -40095 -40095 0.27339 2.124 -0.13417 87357 2023-02-20 01:56:21,109 INFO [main.py:643]
{rank 0/100} MD step = 51100 step time: 00:00:00.018522 Performance: 503.530 ns/day 0.048 hours/ns 29.139 steps/s 2023-02-20 01:56:22,464 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 60.482 -33492 6628.9 -40121 -40121 0.27457 2.1255 -0.13422 87506 2023-02-20 01:56:24,301 INFO [main.py:643]
{rank 0/100} MD step = 51200 step time: 00:00:00.018228 Performance: 503.599 ns/day 0.048 hours/ns 29.143 steps/s 2023-02-20 01:56:25,572 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 60.084 -33449 6585.3 -40035 -40035 0.27557 2.1251 -0.13437 87674 2023-02-20 01:56:27,447 INFO [main.py:643]
{rank 0/100} MD step = 51300 step time: 00:00:00.018128 Performance: 503.680 ns/day 0.048 hours/ns 29.148 steps/s 2023-02-20 01:56:28,747 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 59.644 -33529 6537.1 -40067 -40067 0.27769 2.1261 -0.13379 87845 2023-02-20 01:56:30,624 INFO [main.py:643]
{rank 0/100} MD step = 51400 step time: 00:00:00.018334 Performance: 503.753 ns/day 0.048 hours/ns 29.152 steps/s 2023-02-20 01:56:31,908 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 51400 10280 60.044 -33364 6580.9 -39945 -39945 0.27756 2.1288 -0.13332 88065 2023-02-20 01:56:33,735 INFO [main.py:643]
{rank 0/100} MD step = 51500 step time: 00:00:00.018299 Performance: 503.844 ns/day 0.048 hours/ns 29.158 steps/s 2023-02-20 01:56:35,039 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 59.726 -33487 6546.1 -40033 -40033 0.27925 2.1319 -0.13325 88169 2023-02-20 01:56:36,937 INFO [main.py:643]
{rank 0/100} MD step = 51600 step time: 00:00:00.018184 Performance: 503.909 ns/day 0.048 hours/ns 29.161 steps/s 2023-02-20 01:56:38,236 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 60.393 -33582 6619.2 -40201 -40201 0.28131 2.1334 -0.13334 88321 2023-02-20 01:56:40,178 INFO [main.py:643]
{rank 0/100} MD step = 51700 step time: 00:00:00.018274 Performance: 503.962 ns/day 0.048 hours/ns 29.164 steps/s 2023-02-20 01:56:41,536 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 60.465 -33533 6627.1 -40160 -40160 0.28207 2.1347 -0.13281 88505 2023-02-20 01:56:43,399 INFO [main.py:643]
{rank 0/100} MD step = 51800 step time: 00:00:00.018813 Performance: 504.021 ns/day 0.048 hours/ns 29.168 steps/s 2023-02-20 01:56:44,845 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 59.999 -33600 6576 -40176 -40176 0.28511 2.1375 -0.13306 88673 2023-02-20 01:56:46,855 INFO [main.py:643]
{rank 0/100} MD step = 51900 step time: 00:00:00.018367 Performance: 504.013 ns/day 0.048 hours/ns 29.167 steps/s 2023-02-20 01:56:48,514 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 60.84 -33493 6668.2 -40162 -40162 0.28796 2.1384 -0.13258 88864 2023-02-20 01:56:50,440 INFO [main.py:643]
{rank 0/100} MD step = 52000 step time: 00:00:00.018137 Performance: 503.969 ns/day 0.048 hours/ns 29.165 steps/s 2023-02-20 01:56:51,958 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 59.684 -33560 6541.4 -40102 -40102 0.29023 2.1404 -0.13254 89060 2023-02-20 01:56:53,853 INFO [main.py:643]
{rank 0/100} MD step = 52100 step time: 00:00:00.018843 Performance: 503.973 ns/day 0.048 hours/ns 29.165 steps/s 2023-02-20 01:56:55,086 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 59.314 -33588 6500.9 -40089 -40089 0.29176 2.14 -0.13296 89220 2023-02-20 01:56:57,332 INFO [main.py:643]
{rank 0/100} MD step = 52200 step time: 00:00:00.017988 Performance: 503.963 ns/day 0.048 hours/ns 29.165 steps/s 2023-02-20 01:56:59,679 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 59.52 -33680 6523.4 -40203 -40203 0.29475 2.1407 -0.13231 89374 2023-02-20 01:57:01,587 INFO [main.py:643]
{rank 0/100} MD step = 52300 step time: 00:00:00.018597 Performance: 503.727 ns/day 0.048 hours/ns 29.151 steps/s 2023-02-20 01:57:02,775 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 59.686 -33644 6541.7 -40186 -40186 0.2953 2.142 -0.13246 89542 2023-02-20 01:57:04,843 INFO [main.py:643]
{rank 0/100} MD step = 52400 step time: 00:00:00.018314 Performance: 503.776 ns/day 0.048 hours/ns 29.154 steps/s 2023-02-20 01:57:06,096 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 60.625 -33471 6644.5 -40116 -40116 0.29868 2.1433 -0.13308 89719 2023-02-20 01:57:08,127 INFO [main.py:643]
{rank 0/100} MD step = 52500 step time: 00:00:00.018622 Performance: 503.817 ns/day 0.048 hours/ns 29.156 steps/s 2023-02-20 01:57:09,623 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 52500 10500 59.895 -33429 6564.6 -39994 -39994 0.30069 2.1436 -0.13306 89932 2023-02-20 01:57:11,485 INFO [main.py:643]
{rank 0/100} MD step = 52600 step time: 00:00:00.018698 Performance: 503.837 ns/day 0.048 hours/ns 29.157 steps/s 2023-02-20 01:57:13,377 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 52600 10520 59.596 -33572 6531.7 -40104 -40104 0.30309 2.1455 -0.1337 90060 2023-02-20 01:57:15,336 INFO [main.py:643]
{rank 0/100} MD step = 52700 step time: 00:00:00.019221 Performance: 503.720 ns/day 0.048 hours/ns 29.150 steps/s 2023-02-20 01:57:16,677 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 61.008 -33456 6686.5 -40142 -40142 0.30567 2.1474 -0.13581 90268 2023-02-20 01:57:18,521 INFO [main.py:643]
{rank 0/100} MD step = 52800 step time: 00:00:00.018089 Performance: 503.788 ns/day 0.048 hours/ns 29.154 steps/s 2023-02-20 01:57:19,877 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 59.462 -33576 6517.1 -40093 -40093 0.30926 2.1477 -0.13568 90442 2023-02-20 01:57:21,828 INFO [main.py:643]
{rank 0/100} MD step = 52900 step time: 00:00:00.018072 Performance: 503.822 ns/day 0.048 hours/ns 29.156 steps/s 2023-02-20 01:57:23,031 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 60.699 -33454 6652.7 -40107 -40107 0.31196 2.1494 -0.13492 90602 2023-02-20 01:57:25,055 INFO [main.py:643]
{rank 0/100} MD step = 53000 step time: 00:00:00.017931 Performance: 503.878 ns/day 0.048 hours/ns 29.160 steps/s 2023-02-20 01:57:26,284 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 59.731 -33579 6546.6 -40126 -40126 0.3116 2.1513 -0.13484 90767 2023-02-20 01:57:28,392 INFO [main.py:643]
{rank 0/100} MD step = 53100 step time: 00:00:00.018010 Performance: 503.904 ns/day 0.048 hours/ns 29.161 steps/s 2023-02-20 01:57:29,640 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 53100 10620 60.071 -33592 6583.9 -40176 -40176 0.31272 2.1509 -0.13593 90959 2023-02-20 01:57:31,633 INFO [main.py:643]
{rank 0/100} MD step = 53200 step time: 00:00:00.018146 Performance: 503.956 ns/day 0.048 hours/ns 29.164 steps/s 2023-02-20 01:57:32,962 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 60.654 -33531 6647.8 -40179 -40179 0.31608 2.1523 -0.13503 91124 2023-02-20 01:57:34,890 INFO [main.py:643]
{rank 0/100} MD step = 53300 step time: 00:00:00.019962 Performance: 504.003 ns/day 0.048 hours/ns 29.167 steps/s 2023-02-20 01:57:35,869 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 59.659 -33546 6538.7 -40084 -40084 0.31819 2.1525 -0.13586 91296 2023-02-20 01:57:38,260 INFO [main.py:643]
{rank 0/100} MD step = 53400 step time: 00:00:00.018205 Performance: 504.019 ns/day 0.048 hours/ns 29.168 steps/s 2023-02-20 01:57:40,976 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 59.895 -33606 6564.6 -40171 -40171 0.3191 2.1522 -0.1362 91445 2023-02-20 01:57:42,907 INFO [main.py:643]
{rank 0/100} MD step = 53500 step time: 00:00:00.018494 Performance: 503.685 ns/day 0.048 hours/ns 29.148 steps/s 2023-02-20 01:57:44,295 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 59.621 -33478 6534.5 -40013 -40013 0.32204 2.1532 -0.1373 91623 2023-02-20 01:57:46,225 INFO [main.py:643]
{rank 0/100} MD step = 53600 step time: 00:00:00.018499 Performance: 503.716 ns/day 0.048 hours/ns 29.150 steps/s 2023-02-20 01:57:47,410 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 60.817 -33512 6665.6 -40178 -40178 0.32242 2.1557 -0.13612 91784 2023-02-20 01:57:49,330 INFO [main.py:643]
{rank 0/100} MD step = 53700 step time: 00:00:00.018038 Performance: 503.805 ns/day 0.048 hours/ns 29.155 steps/s 2023-02-20 01:57:50,574 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 60.293 -33414 6608.2 -40022 -40022 0.32505 2.1558 -0.13395 91965 2023-02-20 01:57:52,501 INFO [main.py:643]
{rank 0/100} MD step = 53800 step time: 00:00:00.018146 Performance: 503.876 ns/day 0.048 hours/ns 29.159 steps/s 2023-02-20 01:57:53,794 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 59.603 -33580 6532.6 -40113 -40113 0.32525 2.156 -0.13294 92098 2023-02-20 01:57:55,696 INFO [main.py:643]
{rank 0/100} MD step = 53900 step time: 00:00:00.018061 Performance: 503.939 ns/day 0.048 hours/ns 29.163 steps/s 2023-02-20 01:57:56,937 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 59.958 -33466 6571.5 -40038 -40038 0.32672 2.156 -0.13359 92302 2023-02-20 01:57:58,917 INFO [main.py:643]
{rank 0/100} MD step = 54000 step time: 00:00:00.018294 Performance: 503.996 ns/day 0.048 hours/ns 29.166 steps/s 2023-02-20 01:58:00,745 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 59.965 -33607 6572.2 -40179 -40179 0.33013 2.155 -0.13397 92468 2023-02-20 01:58:02,584 INFO [main.py:643]
{rank 0/100} MD step = 54100 step time: 00:00:00.018208 Performance: 503.931 ns/day 0.048 hours/ns 29.163 steps/s 2023-02-20 01:58:03,869 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 60.827 -33494 6666.8 -40161 -40161 0.33118 2.1557 -0.1362 92639 2023-02-20 01:58:05,821 INFO [main.py:643]
{rank 0/100} MD step = 54200 step time: 00:00:00.018251 Performance: 503.983 ns/day 0.048 hours/ns 29.166 steps/s 2023-02-20 01:58:07,310 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 59.788 -33543 6552.8 -40096 -40096 0.33389 2.158 -0.13433 92814 2023-02-20 01:58:09,189 INFO [main.py:643]
{rank 0/100} MD step = 54300 step time: 00:00:00.018181 Performance: 504.000 ns/day 0.048 hours/ns 29.167 steps/s 2023-02-20 01:58:10,443 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 59.408 -33551 6511.2 -40062 -40062 0.33516 2.1593 -0.13488 93005 2023-02-20 01:58:12,383 INFO [main.py:643]
{rank 0/100} MD step = 54400 step time: 00:00:00.018217 Performance: 504.063 ns/day 0.048 hours/ns 29.170 steps/s 2023-02-20 01:58:13,640 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 61.051 -33412 6691.2 -40104 -40104 0.33755 2.1598 -0.13386 93168 2023-02-20 01:58:15,541 INFO [main.py:643]
{rank 0/100} MD step = 54500 step time: 00:00:00.018286 Performance: 504.136 ns/day 0.048 hours/ns 29.175 steps/s 2023-02-20 01:58:17,141 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 59.675 -33599 6540.5 -40139 -40139 0.34156 2.1609 -0.13418 93355 2023-02-20 01:58:18,998 INFO [main.py:643]
{rank 0/100} MD step = 54600 step time: 00:00:00.018417 Performance: 504.128 ns/day 0.048 hours/ns 29.174 steps/s 2023-02-20 01:58:20,739 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 60.767 -33436 6660.1 -40096 -40096 0.34581 2.162 -0.13513 93512 2023-02-20 01:58:22,648 INFO [main.py:643]
{rank 0/100} MD step = 54700 step time: 00:00:00.018194 Performance: 504.068 ns/day 0.048 hours/ns 29.171 steps/s 2023-02-20 01:58:23,919 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 59.835 -33385 6558 -39943 -39943 0.34874 2.1616 -0.13646 93753 2023-02-20 01:58:25,855 INFO [main.py:643]
{rank 0/100} MD step = 54800 step time: 00:00:00.018072 Performance: 504.127 ns/day 0.048 hours/ns 29.174 steps/s 2023-02-20 01:58:27,081 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 60.119 -33575 6589.2 -40164 -40164 0.35082 2.1624 -0.13553 93870 2023-02-20 01:58:29,055 INFO [main.py:643]
{rank 0/100} MD step = 54900 step time: 00:00:00.017996 Performance: 504.189 ns/day 0.048 hours/ns 29.178 steps/s 2023-02-20 01:58:30,318 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 60.175 -33680 6595.2 -40275 -40275 0.35309 2.1632 -0.13502 94038 2023-02-20 01:58:32,194 INFO [main.py:643]
{rank 0/100} MD step = 55000 step time: 00:00:00.017974 Performance: 504.266 ns/day 0.048 hours/ns 29.182 steps/s 2023-02-20 01:58:33,627 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 55000 11000 60.075 -33599 6584.3 -40183 -40183 0.35584 2.1646 -0.13589 94230 2023-02-20 01:58:35,483 INFO [main.py:643]
{rank 0/100} MD step = 55100 step time: 00:00:00.017993 Performance: 504.302 ns/day 0.048 hours/ns 29.184 steps/s 2023-02-20 01:58:36,811 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 59.679 -33625 6540.9 -40166 -40166 0.35859 2.1656 -0.13812 94399 2023-02-20 01:58:38,781 INFO [main.py:643]
{rank 0/100} MD step = 55200 step time: 00:00:00.018243 Performance: 504.337 ns/day 0.048 hours/ns 29.186 steps/s 2023-02-20 01:58:40,499 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 59.425 -33532 6513 -40045 -40045 0.36123 2.1666 -0.13964 94595 2023-02-20 01:58:42,370 INFO [main.py:643]
{rank 0/100} MD step = 55300 step time: 00:00:00.018557 Performance: 504.293 ns/day 0.048 hours/ns 29.184 steps/s 2023-02-20 01:58:43,710 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 55300 11060 60.629 -33547 6645 -40192 -40192 0.3648 2.1675 -0.13917 94740 2023-02-20 01:58:45,541 INFO [main.py:643]
{rank 0/100} MD step = 55400 step time: 00:00:00.018489 Performance: 504.361 ns/day 0.048 hours/ns 29.188 steps/s 2023-02-20 01:58:46,857 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 60.32 -33629 6611.2 -40240 -40240 0.36706 2.1704 -0.13947 94912 2023-02-20 01:58:48,778 INFO [main.py:643]
{rank 0/100} MD step = 55500 step time: 00:00:00.018161 Performance: 504.411 ns/day 0.048 hours/ns 29.190 steps/s 2023-02-20 01:58:50,067 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 55500 11100 60.374 -33378 6617.1 -39995 -39995 0.36783 2.1724 -0.1413 95116 2023-02-20 01:58:51,970 INFO [main.py:643]
{rank 0/100} MD step = 55600 step time: 00:00:00.018502 Performance: 504.473 ns/day 0.048 hours/ns 29.194 steps/s 2023-02-20 01:58:52,859 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 59.868 -33509 6561.6 -40070 -40070 0.37092 2.1737 -0.14048 95287 2023-02-20 01:58:55,232 INFO [main.py:643]
{rank 0/100} MD step = 55700 step time: 00:00:00.019552 Performance: 504.517 ns/day 0.048 hours/ns 29.197 steps/s 2023-02-20 01:58:56,527 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 60.054 -33608 6582 -40190 -40190 0.37377 2.1757 -0.13854 95435 2023-02-20 01:58:58,458 INFO [main.py:643]
{rank 0/100} MD step = 55800 step time: 00:00:00.018048 Performance: 504.569 ns/day 0.048 hours/ns 29.200 steps/s 2023-02-20 01:58:59,260 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 55800 11160 59.499 -33633 6521.2 -40154 -40154 0.37693 2.1767 -0.13793 95619 2023-02-20 01:59:01,605 INFO [main.py:643]
{rank 0/100} MD step = 55900 step time: 00:00:00.019668 Performance: 504.642 ns/day 0.048 hours/ns 29.204 steps/s 2023-02-20 01:59:02,905 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 59.689 -33685 6542 -40227 -40227 0.38033 2.177 -0.13858 95765 2023-02-20 01:59:04,975 INFO [main.py:643]
{rank 0/100} MD step = 56000 step time: 00:00:00.018079 Performance: 504.657 ns/day 0.048 hours/ns 29.205 steps/s 2023-02-20 01:59:06,145 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 59.684 -33632 6541.5 -40174 -40174 0.38419 2.1786 -0.13872 95956 2023-02-20 01:59:08,243 INFO [main.py:643]
{rank 0/100} MD step = 56100 step time: 00:00:00.018055 Performance: 504.698 ns/day 0.048 hours/ns 29.207 steps/s 2023-02-20 01:59:09,554 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 59.886 -33678 6563.5 -40242 -40242 0.38513 2.1779 -0.13906 96105 2023-02-20 01:59:11,542 INFO [main.py:643]
{rank 0/100} MD step = 56200 step time: 00:00:00.018079 Performance: 504.730 ns/day 0.048 hours/ns 29.209 steps/s 2023-02-20 01:59:12,937 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 58.591 -33776 6421.6 -40197 -40197 0.38871 2.1791 -0.13915 96295 2023-02-20 01:59:14,845 INFO [main.py:643]
{rank 0/100} MD step = 56300 step time: 00:00:00.018236 Performance: 504.762 ns/day 0.048 hours/ns 29.211 steps/s 2023-02-20 01:59:15,852 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 60.397 -33411 6619.6 -40030 -40030 0.39315 2.18 -0.13858 96516 2023-02-20 01:59:17,979 INFO [main.py:643]
{rank 0/100} MD step = 56400 step time: 00:00:00.020587 Performance: 504.838 ns/day 0.048 hours/ns 29.215 steps/s 2023-02-20 01:59:19,288 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 60.262 -33465 6604.8 -40069 -40069 0.39743 2.1818 -0.13786 96665 2023-02-20 01:59:21,169 INFO [main.py:643]
{rank 0/100} MD step = 56500 step time: 00:00:00.018108 Performance: 504.899 ns/day 0.048 hours/ns 29.219 steps/s 2023-02-20 01:59:22,369 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 61.226 -33609 6710.4 -40320 -40320 0.40103 2.1821 -0.13768 96792 2023-02-20 01:59:24,361 INFO [main.py:643]
{rank 0/100} MD step = 56600 step time: 00:00:00.018534 Performance: 504.959 ns/day 0.048 hours/ns 29.222 steps/s 2023-02-20 01:59:25,695 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 60.501 -33579 6631 -40210 -40210 0.40284 2.1842 -0.13633 96979 2023-02-20 01:59:27,551 INFO [main.py:643]
{rank 0/100} MD step = 56700 step time: 00:00:00.018528 Performance: 505.019 ns/day 0.048 hours/ns 29.226 steps/s 2023-02-20 01:59:28,941 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 56700 11340 60.493 -33534 6630.1 -40164 -40164 0.40526 2.1852 -0.13765 97136 2023-02-20 01:59:30,860 INFO [main.py:643]
{rank 0/100} MD step = 56800 step time: 00:00:00.017973 Performance: 505.048 ns/day 0.048 hours/ns 29.227 steps/s 2023-02-20 01:59:32,159 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 60.136 -33587 6591 -40178 -40178 0.40788 2.1867 -0.13753 97311 2023-02-20 01:59:34,026 INFO [main.py:643]
{rank 0/100} MD step = 56900 step time: 00:00:00.018164 Performance: 505.114 ns/day 0.048 hours/ns 29.231 steps/s 2023-02-20 01:59:35,342 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 59.915 -33622 6566.8 -40189 -40189 0.40855 2.191 -0.13669 97481 2023-02-20 01:59:37,206 INFO [main.py:643]
{rank 0/100} MD step = 57000 step time: 00:00:00.018212 Performance: 505.177 ns/day 0.048 hours/ns 29.235 steps/s 2023-02-20 01:59:38,505 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 60.761 -33414 6659.5 -40073 -40073 0.41094 2.1921 -0.13879 97654 2023-02-20 01:59:40,399 INFO [main.py:643]
{rank 0/100} MD step = 57100 step time: 00:00:00.018162 Performance: 505.236 ns/day 0.048 hours/ns 29.238 steps/s 2023-02-20 01:59:41,613 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 59.846 -33531 6559.1 -40090 -40090 0.41355 2.1929 -0.13672 97819 2023-02-20 01:59:43,556 INFO [main.py:643]
{rank 0/100} MD step = 57200 step time: 00:00:00.018003 Performance: 505.304 ns/day 0.047 hours/ns 29.242 steps/s 2023-02-20 01:59:44,789 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 60.286 -33444 6607.5 -40051 -40051 0.41557 2.1936 -0.13532 98039 2023-02-20 01:59:46,657 INFO [main.py:643]
{rank 0/100} MD step = 57300 step time: 00:00:00.018178 Performance: 505.386 ns/day 0.047 hours/ns 29.247 steps/s 2023-02-20 01:59:47,811 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 60.743 -33509 6657.5 -40167 -40167 0.41868 2.1962 -0.13465 98195 2023-02-20 01:59:49,758 INFO [main.py:643]
{rank 0/100} MD step = 57400 step time: 00:00:00.018097 Performance: 505.468 ns/day 0.047 hours/ns 29.252 steps/s 2023-02-20 01:59:51,022 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 60.523 -33449 6633.4 -40082 -40082 0.42145 2.1963 -0.13467 98385 2023-02-20 01:59:52,919 INFO [main.py:643]
{rank 0/100} MD step = 57500 step time: 00:00:00.019539 Performance: 505.534 ns/day 0.047 hours/ns 29.255 steps/s 2023-02-20 01:59:54,174 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 59.518 -33651 6523.3 -40174 -40174 0.42414 2.1977 -0.13395 98563 2023-02-20 01:59:56,111 INFO [main.py:643]
{rank 0/100} MD step = 57600 step time: 00:00:00.018038 Performance: 505.592 ns/day 0.047 hours/ns 29.259 steps/s 2023-02-20 01:59:57,462 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 59.821 -33750 6556.5 -40307 -40307 0.42747 2.1992 -0.13266 98743 2023-02-20 01:59:59,357 INFO [main.py:643]
{rank 0/100} MD step = 57700 step time: 00:00:00.018652 Performance: 505.636 ns/day 0.047 hours/ns 29.261 steps/s 2023-02-20 02:00:00,649 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 60.217 -33393 6599.8 -39993 -39993 0.4304 2.2022 -0.13467 98944 2023-02-20 02:00:02,548 INFO [main.py:643]
{rank 0/100} MD step = 57800 step time: 00:00:00.017998 Performance: 505.694 ns/day 0.047 hours/ns 29.265 steps/s 2023-02-20 02:00:03,684 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 59.681 -33570 6541.2 -40111 -40111 0.43434 2.2028 -0.1338 99092 2023-02-20 02:00:05,678 INFO [main.py:643]
{rank 0/100} MD step = 57900 step time: 00:00:00.018765 Performance: 505.768 ns/day 0.047 hours/ns 29.269 steps/s 2023-02-20 02:00:06,948 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 60.474 -33554 6628 -40182 -40182 0.43729 2.2045 -0.13347 99262 2023-02-20 02:00:08,895 INFO [main.py:643]
{rank 0/100} MD step = 58000 step time: 00:00:00.018148 Performance: 505.819 ns/day 0.047 hours/ns 29.272 steps/s 2023-02-20 02:00:10,100 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 60.16 -33633 6593.6 -40227 -40227 0.43957 2.2067 -0.13554 99411 2023-02-20 02:00:12,322 INFO [main.py:643]
{rank 0/100} MD step = 58100 step time: 00:00:00.018212 Performance: 505.816 ns/day 0.047 hours/ns 29.272 steps/s 2023-02-20 02:00:13,622 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 59.617 -33436 6534.1 -39970 -39970 0.44321 2.2074 -0.13662 99614 2023-02-20 02:00:15,455 INFO [main.py:643]
{rank 0/100} MD step = 58200 step time: 00:00:00.018259 Performance: 505.888 ns/day 0.047 hours/ns 29.276 steps/s 2023-02-20 02:00:16,628 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 60.221 -33556 6600.3 -40157 -40157 0.44625 2.2096 -0.13646 99745 2023-02-20 02:00:18,606 INFO [main.py:643]
{rank 0/100} MD step = 58300 step time: 00:00:00.018214 Performance: 505.955 ns/day 0.047 hours/ns 29.280 steps/s 2023-02-20 02:00:19,769 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 59.996 -33475 6575.7 -40051 -40051 0.44896 2.2119 -0.13721 99926 2023-02-20 02:00:21,757 INFO [main.py:643]
{rank 0/100} MD step = 58400 step time: 00:00:00.017971 Performance: 506.022 ns/day 0.047 hours/ns 29.284 steps/s 2023-02-20 02:00:22,931 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 59.937 -33606 6569.2 -40175 -40175 0.45205 2.2124 -0.13738 1.0007e+05 2023-02-20 02:00:24,851 INFO [main.py:643]
{rank 0/100} MD step = 58500 step time: 00:00:00.018104 Performance: 506.103 ns/day 0.047 hours/ns 29.288 steps/s 2023-02-20 02:00:26,080 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 59.685 -33657 6541.5 -40199 -40199 0.45612 2.2125 -0.13833 1.0023e+05 2023-02-20 02:00:27,994 INFO [main.py:643]
{rank 0/100} MD step = 58600 step time: 00:00:00.018016 Performance: 506.172 ns/day 0.047 hours/ns 29.292 steps/s 2023-02-20 02:00:29,297 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 59.764 -33669 6550.2 -40219 -40219 0.45915 2.2129 -0.13858 1.0038e+05 2023-02-20 02:00:31,177 INFO [main.py:643]
{rank 0/100} MD step = 58700 step time: 00:00:00.017991 Performance: 506.231 ns/day 0.047 hours/ns 29.296 steps/s 2023-02-20 02:00:32,418 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 59.732 -33648 6546.7 -40195 -40195 0.45969 2.2143 -0.13737 1.0056e+05 2023-02-20 02:00:34,325 INFO [main.py:643]
{rank 0/100} MD step = 58800 step time: 00:00:00.019045 Performance: 506.297 ns/day 0.047 hours/ns 29.300 steps/s 2023-02-20 02:00:35,637 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 60.131 -33577 6590.4 -40168 -40168 0.46246 2.2153 -0.13723 1.0071e+05 2023-02-20 02:00:37,491 INFO [main.py:643]
{rank 0/100} MD step = 58900 step time: 00:00:00.017992 Performance: 506.360 ns/day 0.047 hours/ns 29.303 steps/s 2023-02-20 02:00:38,700 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 60.136 -33639 6590.9 -40230 -40230 0.4649 2.2189 -0.13627 1.0087e+05 2023-02-20 02:00:40,617 INFO [main.py:643]
{rank 0/100} MD step = 59000 step time: 00:00:00.018750 Performance: 506.432 ns/day 0.047 hours/ns 29.307 steps/s 2023-02-20 02:00:42,021 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 58.754 -33700 6439.5 -40139 -40139 0.46795 2.2199 -0.13677 1.0105e+05 2023-02-20 02:00:43,848 INFO [main.py:643]
{rank 0/100} MD step = 59100 step time: 00:00:00.018269 Performance: 506.477 ns/day 0.047 hours/ns 29.310 steps/s 2023-02-20 02:00:45,089 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 60.492 -33562 6630 -40192 -40192 0.47232 2.2215 -0.13846 1.0123e+05 2023-02-20 02:00:47,069 INFO [main.py:643]
{rank 0/100} MD step = 59200 step time: 00:00:00.018716 Performance: 506.525 ns/day 0.047 hours/ns 29.313 steps/s 2023-02-20 02:00:48,441 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 59.321 -33647 6501.7 -40148 -40148 0.47511 2.2207 -0.13748 1.014e+05 2023-02-20 02:00:50,275 INFO [main.py:643]
{rank 0/100} MD step = 59300 step time: 00:00:00.018131 Performance: 506.577 ns/day 0.047 hours/ns 29.316 steps/s 2023-02-20 02:00:51,624 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 60.603 -33573 6642.2 -40215 -40215 0.47646 2.2217 -0.1381 1.0157e+05 2023-02-20 02:00:53,529 INFO [main.py:643]
{rank 0/100} MD step = 59400 step time: 00:00:00.018245 Performance: 506.616 ns/day 0.047 hours/ns 29.318 steps/s 2023-02-20 02:00:54,865 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 59.869 -33548 6561.7 -40110 -40110 0.47835 2.2234 -0.13755 1.018e+05 2023-02-20 02:00:56,712 INFO [main.py:643]
{rank 0/100} MD step = 59500 step time: 00:00:00.017991 Performance: 506.673 ns/day 0.047 hours/ns 29.321 steps/s 2023-02-20 02:00:57,937 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 60.86 -33557 6670.3 -40227 -40227 0.48147 2.226 -0.13761 1.0192e+05 2023-02-20 02:00:59,858 INFO [main.py:643]
{rank 0/100} MD step = 59600 step time: 00:00:00.018040 Performance: 506.739 ns/day 0.047 hours/ns 29.325 steps/s 2023-02-20 02:01:01,269 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 59.58 -33557 6530 -40087 -40087 0.48215 2.2264 -0.13711 1.0211e+05 2023-02-20 02:01:03,203 INFO [main.py:643]
{rank 0/100} MD step = 59700 step time: 00:00:00.018227 Performance: 506.755 ns/day 0.047 hours/ns 29.326 steps/s 2023-02-20 02:01:04,885 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 60.761 -33371 6659.5 -40030 -40030 0.48483 2.2263 -0.13551 1.0225e+05 2023-02-20 02:01:06,859 INFO [main.py:643]
{rank 0/100} MD step = 59800 step time: 00:00:00.018165 Performance: 506.694 ns/day 0.047 hours/ns 29.323 steps/s 2023-02-20 02:01:08,325 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 59.274 -33572 6496.5 -40069 -40069 0.48843 2.2252 -0.13726 1.0242e+05 2023-02-20 02:01:10,180 INFO [main.py:643]
{rank 0/100} MD step = 59900 step time: 00:00:00.018644 Performance: 506.716 ns/day 0.047 hours/ns 29.324 steps/s 2023-02-20 02:01:11,726 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 60.189 -33581 6596.8 -40178 -40178 0.49142 2.2274 -0.13624 1.0259e+05 2023-02-20 02:01:13,805 INFO [main.py:643]
{rank 0/100} MD step = 60000 step time: 00:00:00.018506 Performance: 506.663 ns/day 0.047 hours/ns 29.321 steps/s 2023-02-20 02:01:15,184 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 58.818 -33657 6446.5 -40103 -40103 0.49237 2.2289 -0.13637 1.0276e+05 2023-02-20 02:01:17,111 INFO [main.py:643]
{rank 0/100} MD step = 60100 step time: 00:00:00.018219 Performance: 506.689 ns/day 0.047 hours/ns 29.322 steps/s 2023-02-20 02:01:18,266 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 59.342 -33686 6504 -40190 -40190 0.49599 2.23 -0.13606 1.0296e+05 2023-02-20 02:01:20,346 INFO [main.py:643]
{rank 0/100} MD step = 60200 step time: 00:00:00.018710 Performance: 506.732 ns/day 0.047 hours/ns 29.325 steps/s 2023-02-20 02:01:21,601 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 59.386 -33527 6508.7 -40036 -40036 0.49963 2.2324 -0.13516 1.0313e+05 2023-02-20 02:01:23,727 INFO [main.py:643]
{rank 0/100} MD step = 60300 step time: 00:00:00.018665 Performance: 506.739 ns/day 0.047 hours/ns 29.325 steps/s 2023-02-20 02:01:25,553 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 61.307 -33449 6719.3 -40168 -40168 0.50542 2.2344 -0.13547 1.033e+05 2023-02-20 02:01:27,531 INFO [main.py:643]
{rank 0/100} MD step = 60400 step time: 00:00:00.019082 Performance: 506.642 ns/day 0.047 hours/ns 29.320 steps/s 2023-02-20 02:01:28,907 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 60.159 -33562 6593.5 -40155 -40155 0.50788 2.2362 -0.13568 1.0347e+05 2023-02-20 02:01:30,888 INFO [main.py:643]
{rank 0/100} MD step = 60500 step time: 00:00:00.018110 Performance: 506.655 ns/day 0.047 hours/ns 29.320 steps/s 2023-02-20 02:01:32,164 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 59.064 -33646 6473.5 -40119 -40119 0.51077 2.2371 -0.13735 1.0364e+05 2023-02-20 02:01:34,064 INFO [main.py:643]
{rank 0/100} MD step = 60600 step time: 00:00:00.018168 Performance: 506.713 ns/day 0.047 hours/ns 29.324 steps/s 2023-02-20 02:01:35,417 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 59.971 -33603 6572.9 -40176 -40176 0.51464 2.2396 -0.13852 1.0382e+05 2023-02-20 02:01:37,337 INFO [main.py:643]
{rank 0/100} MD step = 60700 step time: 00:00:00.020168 Performance: 506.746 ns/day 0.047 hours/ns 29.326 steps/s 2023-02-20 02:01:38,616 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 60.028 -33653 6579.1 -40232 -40232 0.51698 2.2397 -0.13997 1.0397e+05 2023-02-20 02:01:40,529 INFO [main.py:643]
{rank 0/100} MD step = 60800 step time: 00:00:00.018183 Performance: 506.800 ns/day 0.047 hours/ns 29.329 steps/s 2023-02-20 02:01:41,882 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 60.82 -33457 6666 -40123 -40123 0.52014 2.2409 -0.14173 1.0416e+05 2023-02-20 02:01:43,799 INFO [main.py:643]
{rank 0/100} MD step = 60900 step time: 00:00:00.018018 Performance: 506.834 ns/day 0.047 hours/ns 29.331 steps/s 2023-02-20 02:01:45,113 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 60.039 -33502 6580.3 -40082 -40082 0.52335 2.2416 -0.14098 1.0435e+05 2023-02-20 02:01:47,020 INFO [main.py:643]
{rank 0/100} MD step = 61000 step time: 00:00:00.018476 Performance: 506.880 ns/day 0.047 hours/ns 29.333 steps/s 2023-02-20 02:01:47,860 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 61000 12200 59.867 -33545 6561.5 -40107 -40107 0.52702 2.2434 -0.14061 1.0451e+05 2023-02-20 02:01:50,225 INFO [main.py:643]
{rank 0/100} MD step = 61100 step time: 00:00:00.018489 Performance: 506.929 ns/day 0.047 hours/ns 29.336 steps/s 2023-02-20 02:01:51,532 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 59.374 -33573 6507.5 -40081 -40081 0.52924 2.2445 -0.13991 1.0467e+05 2023-02-20 02:01:53,479 INFO [main.py:643]
{rank 0/100} MD step = 61200 step time: 00:00:00.018039 Performance: 506.967 ns/day 0.047 hours/ns 29.338 steps/s 2023-02-20 02:01:54,854 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 60.138 -33507 6591.1 -40098 -40098 0.53169 2.2456 -0.13947 1.0483e+05 2023-02-20 02:01:56,811 INFO [main.py:643]
{rank 0/100} MD step = 61300 step time: 00:00:00.017858 Performance: 506.986 ns/day 0.047 hours/ns 29.339 steps/s 2023-02-20 02:01:58,647 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 60.738 -33536 6656.9 -40193 -40193 0.5359 2.2463 -0.13941 1.0499e+05 2023-02-20 02:02:00,558 INFO [main.py:643]
{rank 0/100} MD step = 61400 step time: 00:00:00.018146 Performance: 506.904 ns/day 0.047 hours/ns 29.335 steps/s 2023-02-20 02:02:02,257 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 61400 12280 59.626 -33546 6535.1 -40081 -40081 0.53965 2.2488 -0.1377 1.0518e+05 2023-02-20 02:02:04,262 INFO [main.py:643]
{rank 0/100} MD step = 61500 step time: 00:00:00.017976 Performance: 506.832 ns/day 0.047 hours/ns 29.331 steps/s 2023-02-20 02:02:05,714 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 59.636 -33566 6536.2 -40102 -40102 0.54293 2.2502 -0.13634 1.0532e+05 2023-02-20 02:02:08,102 INFO [main.py:643]
{rank 0/100} MD step = 61600 step time: 00:00:00.018349 Performance: 506.728 ns/day 0.047 hours/ns 29.325 steps/s 2023-02-20 02:02:09,835 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 59.523 -33591 6523.8 -40115 -40115 0.54575 2.2532 -0.13552 1.055e+05 2023-02-20 02:02:11,675 INFO [main.py:643]
{rank 0/100} MD step = 61700 step time: 00:00:00.018115 Performance: 506.689 ns/day 0.047 hours/ns 29.322 steps/s 2023-02-20 02:02:12,993 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 60.596 -33449 6641.4 -40090 -40090 0.54862 2.2559 -0.135 1.0569e+05 2023-02-20 02:02:14,900 INFO [main.py:643]
{rank 0/100} MD step = 61800 step time: 00:00:00.018376 Performance: 506.734 ns/day 0.047 hours/ns 29.325 steps/s 2023-02-20 02:02:16,357 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 59.966 -33526 6572.3 -40098 -40098 0.54991 2.2576 -0.13441 1.0588e+05 2023-02-20 02:02:18,302 INFO [main.py:643]
{rank 0/100} MD step = 61900 step time: 00:00:00.018056 Performance: 506.736 ns/day 0.047 hours/ns 29.325 steps/s 2023-02-20 02:02:19,497 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 61900 12380 60.115 -33433 6588.7 -40022 -40022 0.55154 2.2598 -0.13425 1.0606e+05 2023-02-20 02:02:21,534 INFO [main.py:643]
{rank 0/100} MD step = 62000 step time: 00:00:00.018243 Performance: 506.778 ns/day 0.047 hours/ns 29.327 steps/s 2023-02-20 02:02:22,791 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 59.957 -33519 6571.3 -40090 -40090 0.55376 2.261 -0.13495 1.0621e+05 2023-02-20 02:02:24,711 INFO [main.py:643]
{rank 0/100} MD step = 62100 step time: 00:00:00.019735 Performance: 506.834 ns/day 0.047 hours/ns 29.331 steps/s 2023-02-20 02:02:25,993 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 59.495 -33671 6520.7 -40192 -40192 0.55744 2.2626 -0.1333 1.0637e+05 2023-02-20 02:02:27,922 INFO [main.py:643]
{rank 0/100} MD step = 62200 step time: 00:00:00.021142 Performance: 506.881 ns/day 0.047 hours/ns 29.333 steps/s 2023-02-20 02:02:29,189 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 60.625 -33394 6644.6 -40039 -40039 0.56258 2.2622 -0.13363 1.0655e+05 2023-02-20 02:02:31,130 INFO [main.py:643]
{rank 0/100} MD step = 62300 step time: 00:00:00.018569 Performance: 506.929 ns/day 0.047 hours/ns 29.336 steps/s 2023-02-20 02:02:32,334 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 60.23 -33496 6601.3 -40097 -40097 0.56541 2.2634 -0.13273 1.0673e+05 2023-02-20 02:02:34,306 INFO [main.py:643]
{rank 0/100} MD step = 62400 step time: 00:00:00.018098 Performance: 506.985 ns/day 0.047 hours/ns 29.339 steps/s 2023-02-20 02:02:35,586 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 59.923 -33455 6567.6 -40022 -40022 0.56805 2.2633 -0.13317 1.0688e+05 2023-02-20 02:02:37,553 INFO [main.py:643]
{rank 0/100} MD step = 62500 step time: 00:00:00.017888 Performance: 507.023 ns/day 0.047 hours/ns 29.342 steps/s 2023-02-20 02:02:38,940 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 60.488 -33615 6629.6 -40244 -40244 0.56929 2.2637 -0.13296 1.0706e+05 2023-02-20 02:02:40,912 INFO [main.py:643]
{rank 0/100} MD step = 62600 step time: 00:00:00.018230 Performance: 507.035 ns/day 0.047 hours/ns 29.342 steps/s 2023-02-20 02:02:42,132 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 62600 12520 60.872 -33539 6671.7 -40211 -40211 0.57097 2.2647 -0.13307 1.0726e+05 2023-02-20 02:02:44,118 INFO [main.py:643]
{rank 0/100} MD step = 62700 step time: 00:00:00.028107 Performance: 507.083 ns/day 0.047 hours/ns 29.345 steps/s 2023-02-20 02:02:45,449 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 62700 12540 59.884 -33489 6563.3 -40052 -40052 0.57462 2.2659 -0.13433 1.0743e+05 2023-02-20 02:02:47,338 INFO [main.py:643]
{rank 0/100} MD step = 62800 step time: 00:00:00.018338 Performance: 507.127 ns/day 0.047 hours/ns 29.348 steps/s 2023-02-20 02:02:48,586 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 60.185 -33420 6596.4 -40017 -40017 0.57686 2.2689 -0.13405 1.0762e+05 2023-02-20 02:02:50,531 INFO [main.py:643]
{rank 0/100} MD step = 62900 step time: 00:00:00.017966 Performance: 507.178 ns/day 0.047 hours/ns 29.351 steps/s 2023-02-20 02:02:51,912 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 60.022 -33560 6578.5 -40139 -40139 0.58041 2.2723 -0.13383 1.0779e+05 2023-02-20 02:02:53,792 INFO [main.py:643]
{rank 0/100} MD step = 63000 step time: 00:00:00.018606 Performance: 507.213 ns/day 0.047 hours/ns 29.353 steps/s 2023-02-20 02:02:55,137 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 59.508 -33533 6522.1 -40056 -40056 0.5839 2.2738 -0.13461 1.0798e+05 2023-02-20 02:02:57,067 INFO [main.py:643]
{rank 0/100} MD step = 63100 step time: 00:00:00.018386 Performance: 507.244 ns/day 0.047 hours/ns 29.354 steps/s 2023-02-20 02:02:58,467 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 63100 12620 59.911 -33507 6566.3 -40073 -40073 0.58817 2.2757 -0.13374 1.0816e+05 2023-02-20 02:03:00,294 INFO [main.py:643]
{rank 0/100} MD step = 63200 step time: 00:00:00.018098 Performance: 507.286 ns/day 0.047 hours/ns 29.357 steps/s 2023-02-20 02:03:05,387 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 59.777 -33536 6551.6 -40088 -40088 0.59315 2.2783 -0.13403 1.0834e+05 2023-02-20 02:03:09,304 INFO [main.py:643]
{rank 0/100} MD step = 63300 step time: 00:00:00.018493 Performance: 505.971 ns/day 0.047 hours/ns 29.281 steps/s 2023-02-20 02:03:10,656 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 59.795 -33508 6553.6 -40061 -40061 0.59742 2.281 -0.1354 1.085e+05 2023-02-20 02:03:12,532 INFO [main.py:643]
{rank 0/100} MD step = 63400 step time: 00:00:00.019169 Performance: 506.015 ns/day 0.047 hours/ns 29.283 steps/s 2023-02-20 02:03:17,641 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 59.238 -33810 6492.6 -40302 -40302 0.60242 2.285 -0.137 1.0862e+05 2023-02-20 02:03:19,611 INFO [main.py:643]
{rank 0/100} MD step = 63500 step time: 00:00:00.018424 Performance: 505.161 ns/day 0.048 hours/ns 29.234 steps/s 2023-02-20 02:03:20,912 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 63500 12700 60.107 -33441 6587.8 -40029 -40029 0.60409 2.2876 -0.1371 1.0883e+05 2023-02-20 02:03:22,813 INFO [main.py:643]
{rank 0/100} MD step = 63600 step time: 00:00:00.018103 Performance: 505.212 ns/day 0.048 hours/ns 29.237 steps/s 2023-02-20 02:03:24,321 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 60.076 -33688 6584.4 -40273 -40273 0.60685 2.2885 -0.13772 1.0897e+05 2023-02-20 02:03:26,313 INFO [main.py:643]
{rank 0/100} MD step = 63700 step time: 00:00:00.018648 Performance: 505.194 ns/day 0.048 hours/ns 29.236 steps/s 2023-02-20 02:03:27,631 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 59.561 -33648 6528 -40176 -40176 0.60972 2.2898 -0.1386 1.0914e+05 2023-02-20 02:03:29,632 INFO [main.py:643]
{rank 0/100} MD step = 63800 step time: 00:00:00.017970 Performance: 505.217 ns/day 0.048 hours/ns 29.237 steps/s 2023-02-20 02:03:30,952 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 59.412 -33646 6511.6 -40157 -40157 0.61102 2.2917 -0.13907 1.0932e+05 2023-02-20 02:03:32,867 INFO [main.py:643]
{rank 0/100} MD step = 63900 step time: 00:00:00.017983 Performance: 505.260 ns/day 0.048 hours/ns 29.240 steps/s 2023-02-20 02:03:34,222 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 59.113 -33552 6478.8 -40031 -40031 0.61296 2.2933 -0.1406 1.0952e+05 2023-02-20 02:03:36,090 INFO [main.py:643]
{rank 0/100} MD step = 64000 step time: 00:00:00.018234 Performance: 505.305 ns/day 0.047 hours/ns 29.242 steps/s 2023-02-20 02:03:37,426 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 59.706 -33623 6543.8 -40167 -40167 0.61523 2.2947 -0.14193 1.0967e+05 2023-02-20 02:03:39,330 INFO [main.py:643]
{rank 0/100} MD step = 64100 step time: 00:00:00.018134 Performance: 505.347 ns/day 0.047 hours/ns 29.245 steps/s 2023-02-20 02:03:40,617 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 60.142 -33403 6591.7 -39995 -39995 0.6168 2.296 -0.1446 1.0985e+05 2023-02-20 02:03:42,481 INFO [main.py:643]
{rank 0/100} MD step = 64200 step time: 00:00:00.018090 Performance: 505.409 ns/day 0.047 hours/ns 29.248 steps/s 2023-02-20 02:03:43,736 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 59.453 -33574 6516.1 -40090 -40090 0.61901 2.2975 -0.14465 1.1e+05 2023-02-20 02:03:45,669 INFO [main.py:643]
{rank 0/100} MD step = 64300 step time: 00:00:00.018254 Performance: 505.462 ns/day 0.047 hours/ns 29.251 steps/s 2023-02-20 02:03:46,975 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 60.414 -33657 6621.4 -40279 -40279 0.62105 2.2978 -0.14352 1.1014e+05 2023-02-20 02:03:48,903 INFO [main.py:643]
{rank 0/100} MD step = 64400 step time: 00:00:00.019322 Performance: 505.504 ns/day 0.047 hours/ns 29.254 steps/s 2023-02-20 02:03:50,310 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 59.919 -33587 6567.2 -40154 -40154 0.62386 2.2995 -0.14269 1.1034e+05 2023-02-20 02:03:52,139 INFO [main.py:643]
{rank 0/100} MD step = 64500 step time: 00:00:00.018794 Performance: 505.546 ns/day 0.047 hours/ns 29.256 steps/s 2023-02-20 02:03:53,395 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 60.24 -33479 6602.3 -40081 -40081 0.62524 2.301 -0.14321 1.1051e+05 2023-02-20 02:03:55,321 INFO [main.py:643]
{rank 0/100} MD step = 64600 step time: 00:00:00.018049 Performance: 505.600 ns/day 0.047 hours/ns 29.259 steps/s 2023-02-20 02:03:56,576 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 61.052 -33519 6691.3 -40211 -40211 0.62895 2.3033 -0.14405 1.1065e+05 2023-02-20 02:03:58,443 INFO [main.py:643]
{rank 0/100} MD step = 64700 step time: 00:00:00.018679 Performance: 505.668 ns/day 0.047 hours/ns 29.263 steps/s 2023-02-20 02:03:59,628 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 60.192 -33610 6597.1 -40207 -40207 0.6315 2.3038 -0.14403 1.1081e+05 2023-02-20 02:04:01,579 INFO [main.py:643]
{rank 0/100} MD step = 64800 step time: 00:00:00.020054 Performance: 505.732 ns/day 0.047 hours/ns 29.267 steps/s 2023-02-20 02:04:02,892 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 59.971 -33481 6572.9 -40054 -40054 0.63436 2.3081 -0.14473 1.11e+05 2023-02-20 02:04:04,856 INFO [main.py:643]
{rank 0/100} MD step = 64900 step time: 00:00:00.018067 Performance: 505.764 ns/day 0.047 hours/ns 29.269 steps/s 2023-02-20 02:04:06,175 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 58.919 -33646 6457.6 -40103 -40103 0.63428 2.3091 -0.14271 1.1117e+05 2023-02-20 02:04:08,034 INFO [main.py:643]
{rank 0/100} MD step = 65000 step time: 00:00:00.018281 Performance: 505.818 ns/day 0.047 hours/ns 29.272 steps/s 2023-02-20 02:04:09,222 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 65000 13000 60.493 -33544 6630.1 -40174 -40174 0.63705 2.3109 -0.1417 1.1134e+05 2023-02-20 02:04:11,257 INFO [main.py:643]
{rank 0/100} MD step = 65100 step time: 00:00:00.018128 Performance: 505.862 ns/day 0.047 hours/ns 29.274 steps/s 2023-02-20 02:04:12,526 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 60.2 -33585 6598 -40183 -40183 0.63878 2.3122 -0.14318 1.1153e+05 2023-02-20 02:04:14,462 INFO [main.py:643]
{rank 0/100} MD step = 65200 step time: 00:00:00.018484 Performance: 505.910 ns/day 0.047 hours/ns 29.277 steps/s 2023-02-20 02:04:15,692 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 60.418 -33477 6621.9 -40099 -40099 0.64177 2.3139 -0.1443 1.1171e+05 2023-02-20 02:04:17,605 INFO [main.py:643]
{rank 0/100} MD step = 65300 step time: 00:00:00.018343 Performance: 505.972 ns/day 0.047 hours/ns 29.281 steps/s 2023-02-20 02:04:18,866 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 59.827 -33509 6557.1 -40066 -40066 0.64609 2.314 -0.14386 1.1189e+05 2023-02-20 02:04:20,764 INFO [main.py:643]
{rank 0/100} MD step = 65400 step time: 00:00:00.018843 Performance: 506.030 ns/day 0.047 hours/ns 29.284 steps/s 2023-02-20 02:04:22,003 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 60.873 -33463 6671.8 -40135 -40135 0.65082 2.3149 -0.14307 1.1208e+05 2023-02-20 02:04:23,939 INFO [main.py:643]
{rank 0/100} MD step = 65500 step time: 00:00:00.018240 Performance: 506.084 ns/day 0.047 hours/ns 29.287 steps/s 2023-02-20 02:04:25,239 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 65500 13100 59.648 -33539 6537.5 -40076 -40076 0.65304 2.3177 -0.14321 1.1222e+05 2023-02-20 02:04:27,114 INFO [main.py:643]
{rank 0/100} MD step = 65600 step time: 00:00:00.017966 Performance: 506.138 ns/day 0.047 hours/ns 29.290 steps/s 2023-02-20 02:04:28,360 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 60.231 -33481 6601.4 -40082 -40082 0.65703 2.3201 -0.14428 1.124e+05 2023-02-20 02:04:30,311 INFO [main.py:643]
{rank 0/100} MD step = 65700 step time: 00:00:00.018257 Performance: 506.187 ns/day 0.047 hours/ns 29.293 steps/s 2023-02-20 02:04:31,794 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 60.117 -33528 6588.9 -40117 -40117 0.66054 2.3215 -0.14435 1.1257e+05 2023-02-20 02:04:33,624 INFO [main.py:643]
{rank 0/100} MD step = 65800 step time: 00:00:00.017947 Performance: 506.210 ns/day 0.047 hours/ns 29.295 steps/s 2023-02-20 02:04:34,830 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 65800 13160 60.855 -33419 6669.8 -40088 -40088 0.66278 2.3221 -0.14615 1.1278e+05 2023-02-20 02:04:36,787 INFO [main.py:643]
{rank 0/100} MD step = 65900 step time: 00:00:00.018869 Performance: 506.267 ns/day 0.047 hours/ns 29.298 steps/s 2023-02-20 02:04:37,934 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 59.423 -33614 6512.8 -40127 -40127 0.66588 2.325 -0.14568 1.1295e+05 2023-02-20 02:04:39,926 INFO [main.py:643]
{rank 0/100} MD step = 66000 step time: 00:00:00.018178 Performance: 506.328 ns/day 0.047 hours/ns 29.301 steps/s 2023-02-20 02:04:41,385 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 60.725 -33391 6655.5 -40047 -40047 0.66901 2.3266 -0.14633 1.1311e+05 2023-02-20 02:04:43,293 INFO [main.py:643]
{rank 0/100} MD step = 66100 step time: 00:00:00.018362 Performance: 506.338 ns/day 0.047 hours/ns 29.302 steps/s 2023-02-20 02:04:44,996 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 60.07 -33583 6583.7 -40167 -40167 0.67135 2.3289 -0.1474 1.1328e+05 2023-02-20 02:04:46,849 INFO [main.py:643]
{rank 0/100} MD step = 66200 step time: 00:00:00.018924 Performance: 506.306 ns/day 0.047 hours/ns 29.300 steps/s 2023-02-20 02:04:47,651 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 66200 13240 60.566 -33460 6638.1 -40098 -40098 0.67392 2.3317 -0.14786 1.1344e+05 2023-02-20 02:04:50,005 INFO [main.py:643]
{rank 0/100} MD step = 66300 step time: 00:00:00.018930 Performance: 506.364 ns/day 0.047 hours/ns 29.303 steps/s 2023-02-20 02:04:51,247 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 59.706 -33542 6543.9 -40086 -40086 0.67638 2.3343 -0.14699 1.1362e+05 2023-02-20 02:04:53,207 INFO [main.py:643]
{rank 0/100} MD step = 66400 step time: 00:00:00.018695 Performance: 506.411 ns/day 0.047 hours/ns 29.306 steps/s 2023-02-20 02:04:53,985 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 59.763 -33532 6550.1 -40082 -40082 0.67775 2.3352 -0.1469 1.1378e+05 2023-02-20 02:04:56,307 INFO [main.py:643]
{rank 0/100} MD step = 66500 step time: 00:00:00.017968 Performance: 506.481 ns/day 0.047 hours/ns 29.310 steps/s 2023-02-20 02:04:57,604 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 66500 13300 60.444 -33525 6624.7 -40149 -40149 0.67832 2.3378 -0.14759 1.1393e+05 2023-02-20 02:04:59,441 INFO [main.py:643]
{rank 0/100} MD step = 66600 step time: 00:00:00.018187 Performance: 506.542 ns/day 0.047 hours/ns 29.314 steps/s 2023-02-20 02:05:00,682 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 59.49 -33679 6520.2 -40200 -40200 0.68147 2.34 -0.14898 1.1412e+05 2023-02-20 02:05:02,612 INFO [main.py:643]
{rank 0/100} MD step = 66700 step time: 00:00:00.018016 Performance: 506.596 ns/day 0.047 hours/ns 29.317 steps/s 2023-02-20 02:05:03,459 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 59.026 -33738 6469.3 -40208 -40208 0.68411 2.3398 -0.15102 1.1428e+05 2023-02-20 02:05:05,799 INFO [main.py:643]
{rank 0/100} MD step = 66800 step time: 00:00:00.018040 Performance: 506.646 ns/day 0.047 hours/ns 29.320 steps/s 2023-02-20 02:05:07,068 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 59.661 -33571 6538.9 -40110 -40110 0.68549 2.341 -0.15114 1.145e+05 2023-02-20 02:05:09,016 INFO [main.py:643]
{rank 0/100} MD step = 66900 step time: 00:00:00.018154 Performance: 506.689 ns/day 0.047 hours/ns 29.322 steps/s 2023-02-20 02:05:10,288 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 59.921 -33614 6567.4 -40181 -40181 0.68661 2.3427 -0.15141 1.1466e+05 2023-02-20 02:05:12,154 INFO [main.py:643]
{rank 0/100} MD step = 67000 step time: 00:00:00.018126 Performance: 506.749 ns/day 0.047 hours/ns 29.326 steps/s 2023-02-20 02:05:13,392 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 60.154 -33541 6592.9 -40134 -40134 0.68699 2.3455 -0.14972 1.1487e+05 2023-02-20 02:05:15,339 INFO [main.py:643]
{rank 0/100} MD step = 67100 step time: 00:00:00.018117 Performance: 506.799 ns/day 0.047 hours/ns 29.329 steps/s 2023-02-20 02:05:16,527 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 67100 13420 60.946 -33418 6679.7 -40097 -40097 0.6861 2.3474 -0.1482 1.1504e+05 2023-02-20 02:05:18,511 INFO [main.py:643]
{rank 0/100} MD step = 67200 step time: 00:00:00.018329 Performance: 506.852 ns/day 0.047 hours/ns 29.332 steps/s 2023-02-20 02:05:19,272 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 59.924 -33595 6567.7 -40163 -40163 0.6887 2.3483 -0.14845 1.1521e+05 2023-02-20 02:05:21,646 INFO [main.py:643]
{rank 0/100} MD step = 67300 step time: 00:00:00.018271 Performance: 506.912 ns/day 0.047 hours/ns 29.335 steps/s 2023-02-20 02:05:23,098 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 59.696 -33605 6542.7 -40148 -40148 0.68853 2.3507 -0.14694 1.1538e+05 2023-02-20 02:05:25,080 INFO [main.py:643]
{rank 0/100} MD step = 67400 step time: 00:00:00.018577 Performance: 506.907 ns/day 0.047 hours/ns 29.335 steps/s 2023-02-20 02:05:25,874 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 59.38 -33571 6508.2 -40079 -40079 0.6885 2.3512 -0.14551 1.1554e+05 2023-02-20 02:05:28,227 INFO [main.py:643]
{rank 0/100} MD step = 67500 step time: 00:00:00.017952 Performance: 506.964 ns/day 0.047 hours/ns 29.338 steps/s 2023-02-20 02:05:29,432 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 58.996 -33752 6466.1 -40218 -40218 0.68934 2.3524 -0.14632 1.1571e+05 2023-02-20 02:05:31,389 INFO [main.py:643]
{rank 0/100} MD step = 67600 step time: 00:00:00.018153 Performance: 507.019 ns/day 0.047 hours/ns 29.341 steps/s 2023-02-20 02:05:32,648 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 60.425 -33582 6622.6 -40204 -40204 0.69377 2.3569 -0.14657 1.1587e+05 2023-02-20 02:05:34,602 INFO [main.py:643]
{rank 0/100} MD step = 67700 step time: 00:00:00.018110 Performance: 507.061 ns/day 0.047 hours/ns 29.344 steps/s 2023-02-20 02:05:35,970 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 60.248 -33642 6603.2 -40245 -40245 0.69668 2.3578 -0.14687 1.1605e+05 2023-02-20 02:05:37,792 INFO [main.py:643]
{rank 0/100} MD step = 67800 step time: 00:00:00.019702 Performance: 507.109 ns/day 0.047 hours/ns 29.347 steps/s 2023-02-20 02:05:39,046 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 59.701 -33533 6543.3 -40077 -40077 0.69846 2.3582 -0.14557 1.1623e+05 2023-02-20 02:05:40,990 INFO [main.py:643]
{rank 0/100} MD step = 67900 step time: 00:00:00.018037 Performance: 507.155 ns/day 0.047 hours/ns 29.349 steps/s 2023-02-20 02:05:42,361 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 60.973 -33534 6682.7 -40217 -40217 0.70095 2.3599 -0.14359 1.1638e+05 2023-02-20 02:05:44,223 INFO [main.py:643]
{rank 0/100} MD step = 68000 step time: 00:00:00.018415 Performance: 507.193 ns/day 0.047 hours/ns 29.351 steps/s 2023-02-20 02:05:45,470 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 60.831 -33466 6667.2 -40133 -40133 0.70576 2.3611 -0.14469 1.1658e+05 2023-02-20 02:05:47,424 INFO [main.py:643]
{rank 0/100} MD step = 68100 step time: 00:00:00.018619 Performance: 507.238 ns/day 0.047 hours/ns 29.354 steps/s 2023-02-20 02:05:48,741 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 59.692 -33501 6542.3 -40043 -40043 0.70704 2.3635 -0.14485 1.1676e+05 2023-02-20 02:05:50,677 INFO [main.py:643]
{rank 0/100} MD step = 68200 step time: 00:00:00.018098 Performance: 507.272 ns/day 0.047 hours/ns 29.356 steps/s 2023-02-20 02:05:52,511 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 59.913 -33490 6566.6 -40057 -40057 0.70751 2.3673 -0.14467 1.1691e+05 2023-02-20 02:05:54,453 INFO [main.py:643]
{rank 0/100} MD step = 68300 step time: 00:00:00.018108 Performance: 507.191 ns/day 0.047 hours/ns 29.351 steps/s 2023-02-20 02:05:56,115 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 68300 13660 60.596 -33561 6641.4 -40202 -40202 0.7093 2.3691 -0.14492 1.1707e+05 2023-02-20 02:05:57,989 INFO [main.py:643]
{rank 0/100} MD step = 68400 step time: 00:00:00.018957 Performance: 507.163 ns/day 0.047 hours/ns 29.350 steps/s 2023-02-20 02:05:58,898 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 60.408 -33510 6620.8 -40131 -40131 0.71107 2.3722 -0.14644 1.1727e+05 2023-02-20 02:06:01,421 INFO [main.py:643]
{rank 0/100} MD step = 68500 step time: 00:00:00.018177 Performance: 507.158 ns/day 0.047 hours/ns 29.349 steps/s 2023-02-20 02:06:04,281 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 60.324 -33471 6611.6 -40083 -40083 0.71401 2.3724 -0.14507 1.1744e+05 2023-02-20 02:06:06,560 INFO [main.py:643]
{rank 0/100} MD step = 68600 step time: 00:00:00.018305 Performance: 506.782 ns/day 0.047 hours/ns 29.328 steps/s 2023-02-20 02:06:10,459 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 68600 13720 59.5 -33620 6521.3 -40141 -40141 0.71635 2.3723 -0.14391 1.1761e+05 2023-02-20 02:06:12,386 INFO [main.py:643]
{rank 0/100} MD step = 68700 step time: 00:00:00.018196 Performance: 506.260 ns/day 0.047 hours/ns 29.297 steps/s 2023-02-20 02:06:13,666 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 60.448 -33506 6625.2 -40131 -40131 0.71777 2.3746 -0.14222 1.178e+05 2023-02-20 02:06:15,689 INFO [main.py:643]
{rank 0/100} MD step = 68800 step time: 00:00:00.018671 Performance: 506.284 ns/day 0.047 hours/ns 29.299 steps/s 2023-02-20 02:06:17,030 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 59.992 -33504 6575.2 -40079 -40079 0.71932 2.376 -0.14164 1.1799e+05 2023-02-20 02:06:18,928 INFO [main.py:643]
{rank 0/100} MD step = 68900 step time: 00:00:00.019190 Performance: 506.321 ns/day 0.047 hours/ns 29.301 steps/s 2023-02-20 02:06:20,310 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 59.92 -33587 6567.3 -40155 -40155 0.72314 2.3774 -0.14125 1.1814e+05 2023-02-20 02:06:22,183 INFO [main.py:643]
{rank 0/100} MD step = 69000 step time: 00:00:00.017895 Performance: 506.355 ns/day 0.047 hours/ns 29.303 steps/s 2023-02-20 02:06:23,271 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 60.424 -33443 6622.5 -40065 -40065 0.72638 2.3768 -0.14046 1.1835e+05 2023-02-20 02:06:25,286 INFO [main.py:643]
{rank 0/100} MD step = 69100 step time: 00:00:00.018008 Performance: 506.422 ns/day 0.047 hours/ns 29.307 steps/s 2023-02-20 02:06:26,558 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 69100 13820 59.45 -33642 6515.8 -40158 -40158 0.72901 2.3809 -0.14169 1.185e+05 2023-02-20 02:06:28,506 INFO [main.py:643]
{rank 0/100} MD step = 69200 step time: 00:00:00.018270 Performance: 506.463 ns/day 0.047 hours/ns 29.309 steps/s 2023-02-20 02:06:30,151 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 58.999 -33701 6466.4 -40168 -40168 0.73132 2.3822 -0.14182 1.1868e+05 2023-02-20 02:06:32,132 INFO [main.py:643]
{rank 0/100} MD step = 69300 step time: 00:00:00.018031 Performance: 506.417 ns/day 0.047 hours/ns 29.307 steps/s 2023-02-20 02:06:37,652 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 58.793 -33628 6443.8 -40071 -40071 0.73392 2.3847 -0.14239 1.1888e+05 2023-02-20 02:06:39,603 INFO [main.py:643]
{rank 0/100} MD step = 69400 step time: 00:00:00.018494 Performance: 505.551 ns/day 0.047 hours/ns 29.256 steps/s 2023-02-20 02:06:40,915 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 69400 13880 60.076 -33614 6584.4 -40198 -40198 0.73751 2.386 -0.1427 1.1904e+05 2023-02-20 02:06:42,863 INFO [main.py:643]
{rank 0/100} MD step = 69500 step time: 00:00:00.018248 Performance: 505.584 ns/day 0.047 hours/ns 29.258 steps/s 2023-02-20 02:06:44,218 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 59.181 -33578 6486.3 -40065 -40065 0.74012 2.388 -0.14356 1.1925e+05 2023-02-20 02:06:46,086 INFO [main.py:643]
{rank 0/100} MD step = 69600 step time: 00:00:00.018096 Performance: 505.626 ns/day 0.047 hours/ns 29.261 steps/s 2023-02-20 02:06:47,010 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 69600 13920 59.876 -33545 6562.5 -40107 -40107 0.74334 2.3889 -0.14357 1.1937e+05 2023-02-20 02:06:49,387 INFO [main.py:643]
{rank 0/100} MD step = 69700 step time: 00:00:00.018450 Performance: 505.651 ns/day 0.047 hours/ns 29.262 steps/s 2023-02-20 02:06:50,751 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 60.408 -33474 6620.8 -40095 -40095 0.74513 2.3906 -0.1422 1.1955e+05 2023-02-20 02:06:52,694 INFO [main.py:643]
{rank 0/100} MD step = 69800 step time: 00:00:00.017973 Performance: 505.674 ns/day 0.047 hours/ns 29.264 steps/s 2023-02-20 02:06:54,350 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 60.376 -33579 6617.3 -40196 -40196 0.74771 2.3908 -0.14077 1.1973e+05 2023-02-20 02:06:56,274 INFO [main.py:643]
{rank 0/100} MD step = 69900 step time: 00:00:00.018307 Performance: 505.639 ns/day 0.047 hours/ns 29.262 steps/s 2023-02-20 02:06:57,597 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 59.921 -33590 6567.4 -40157 -40157 0.75246 2.3935 -0.14052 1.1991e+05 2023-02-20 02:06:59,581 INFO [main.py:643]
{rank 0/100} MD step = 70000 step time: 00:00:00.018239 Performance: 505.663 ns/day 0.047 hours/ns 29.263 steps/s 2023-02-20 02:07:00,877 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 60.374 -33509 6617.1 -40126 -40126 0.75554 2.3965 -0.14038 1.201e+05 2023-02-20 02:07:03,053 INFO [main.py:643]
{rank 0/100} MD step = 70100 step time: 00:00:00.018190 Performance: 505.654 ns/day 0.047 hours/ns 29.262 steps/s 2023-02-20 02:07:04,447 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 70100 14020 59.739 -33534 6547.5 -40081 -40081 0.75966 2.398 -0.14047 1.2026e+05 2023-02-20 02:07:06,422 INFO [main.py:643]
{rank 0/100} MD step = 70200 step time: 00:00:00.018120 Performance: 505.662 ns/day 0.047 hours/ns 29.263 steps/s 2023-02-20 02:07:08,056 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 60.409 -33604 6620.9 -40224 -40224 0.76192 2.4008 -0.14123 1.2041e+05 2023-02-20 02:07:10,062 INFO [main.py:643]
{rank 0/100} MD step = 70300 step time: 00:00:00.018019 Performance: 505.615 ns/day 0.047 hours/ns 29.260 steps/s 2023-02-20 02:07:11,412 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 59.921 -33508 6567.4 -40076 -40076 0.76502 2.4025 -0.1413 1.2058e+05 2023-02-20 02:07:13,371 INFO [main.py:643]
{rank 0/100} MD step = 70400 step time: 00:00:00.018073 Performance: 505.637 ns/day 0.047 hours/ns 29.261 steps/s 2023-02-20 02:07:14,752 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 59.387 -33580 6508.8 -40089 -40089 0.7689 2.4066 -0.14134 1.2074e+05 2023-02-20 02:07:16,848 INFO [main.py:643]
{rank 0/100} MD step = 70500 step time: 00:00:00.018491 Performance: 505.625 ns/day 0.047 hours/ns 29.261 steps/s 2023-02-20 02:07:18,241 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 59.601 -33497 6532.3 -40030 -40030 0.77042 2.4082 -0.13989 1.2091e+05 2023-02-20 02:07:20,107 INFO [main.py:643]
{rank 0/100} MD step = 70600 step time: 00:00:00.018121 Performance: 505.658 ns/day 0.047 hours/ns 29.263 steps/s 2023-02-20 02:07:21,388 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 70600 14120 60.46 -33521 6626.5 -40147 -40147 0.77513 2.4111 -0.1381 1.2108e+05 2023-02-20 02:07:23,327 INFO [main.py:643]
{rank 0/100} MD step = 70700 step time: 00:00:00.018170 Performance: 505.700 ns/day 0.047 hours/ns 29.265 steps/s 2023-02-20 02:07:24,638 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 60.547 -33462 6636 -40098 -40098 0.77642 2.4135 -0.13662 1.2127e+05 2023-02-20 02:07:26,590 INFO [main.py:643]
{rank 0/100} MD step = 70800 step time: 00:00:00.018037 Performance: 505.732 ns/day 0.047 hours/ns 29.267 steps/s 2023-02-20 02:07:27,963 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 60.394 -33512 6619.2 -40132 -40132 0.77961 2.4162 -0.13864 1.2145e+05 2023-02-20 02:07:29,791 INFO [main.py:643]
{rank 0/100} MD step = 70900 step time: 00:00:00.018508 Performance: 505.777 ns/day 0.047 hours/ns 29.269 steps/s 2023-02-20 02:07:31,003 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 60.823 -33360 6666.3 -40027 -40027 0.78376 2.4182 -0.13858 1.216e+05 2023-02-20 02:07:32,991 INFO [main.py:643]
{rank 0/100} MD step = 71000 step time: 00:00:00.018474 Performance: 505.822 ns/day 0.047 hours/ns 29.272 steps/s 2023-02-20 02:07:34,283 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 71000 14200 60.661 -33509 6648.6 -40158 -40158 0.78809 2.4197 -0.13942 1.2179e+05 2023-02-20 02:07:36,186 INFO [main.py:643]
{rank 0/100} MD step = 71100 step time: 00:00:00.018038 Performance: 505.868 ns/day 0.047 hours/ns 29.275 steps/s 2023-02-20 02:07:37,519 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 60.087 -33471 6585.6 -40056 -40056 0.79267 2.4213 -0.1405 1.2198e+05 2023-02-20 02:07:39,443 INFO [main.py:643]
{rank 0/100} MD step = 71200 step time: 00:00:00.018320 Performance: 505.901 ns/day 0.047 hours/ns 29.277 steps/s 2023-02-20 02:07:40,674 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 71200 14240 60.647 -33490 6647 -40137 -40137 0.79526 2.4239 -0.14085 1.2214e+05 2023-02-20 02:07:42,610 INFO [main.py:643]
{rank 0/100} MD step = 71300 step time: 00:00:00.018329 Performance: 505.953 ns/day 0.047 hours/ns 29.280 steps/s 2023-02-20 02:07:43,869 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 60.368 -33522 6616.4 -40138 -40138 0.79643 2.4259 -0.13997 1.2235e+05 2023-02-20 02:07:45,785 INFO [main.py:643]
{rank 0/100} MD step = 71400 step time: 00:00:00.017933 Performance: 506.003 ns/day 0.047 hours/ns 29.283 steps/s 2023-02-20 02:07:47,124 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 59.563 -33605 6528.1 -40133 -40133 0.79843 2.4285 -0.14001 1.225e+05 2023-02-20 02:07:49,062 INFO [main.py:643]
{rank 0/100} MD step = 71500 step time: 00:00:00.018176 Performance: 506.031 ns/day 0.047 hours/ns 29.284 steps/s 2023-02-20 02:07:50,391 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 59.569 -33654 6528.8 -40183 -40183 0.80151 2.4285 -0.14008 1.2267e+05 2023-02-20 02:07:52,284 INFO [main.py:643]
{rank 0/100} MD step = 71600 step time: 00:00:00.018827 Performance: 506.071 ns/day 0.047 hours/ns 29.287 steps/s 2023-02-20 02:07:53,606 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 59.969 -33423 6572.7 -39996 -39996 0.80199 2.4296 -0.13974 1.2284e+05 2023-02-20 02:07:55,570 INFO [main.py:643]
{rank 0/100} MD step = 71700 step time: 00:00:00.018219 Performance: 506.098 ns/day 0.047 hours/ns 29.288 steps/s 2023-02-20 02:07:56,835 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 59.303 -33459 6499.7 -39959 -39959 0.80496 2.43 -0.14019 1.2302e+05 2023-02-20 02:07:58,730 INFO [main.py:643]
{rank 0/100} MD step = 71800 step time: 00:00:00.018605 Performance: 506.150 ns/day 0.047 hours/ns 29.291 steps/s 2023-02-20 02:07:59,999 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 71800 14360 59.591 -33588 6531.2 -40120 -40120 0.80757 2.4319 -0.13949 1.2317e+05 2023-02-20 02:08:01,899 INFO [main.py:643]
{rank 0/100} MD step = 71900 step time: 00:00:00.018213 Performance: 506.201 ns/day 0.047 hours/ns 29.294 steps/s 2023-02-20 02:08:03,227 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 60.79 -33577 6662.7 -40240 -40240 0.80982 2.4342 -0.13926 1.2331e+05 2023-02-20 02:08:05,189 INFO [main.py:643]
{rank 0/100} MD step = 72000 step time: 00:00:00.020017 Performance: 506.226 ns/day 0.047 hours/ns 29.295 steps/s 2023-02-20 02:08:06,564 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 60.474 -33551 6628 -40179 -40179 0.81216 2.4345 -0.1373 1.2351e+05 2023-02-20 02:08:08,473 INFO [main.py:643]
{rank 0/100} MD step = 72100 step time: 00:00:00.018026 Performance: 506.253 ns/day 0.047 hours/ns 29.297 steps/s 2023-02-20 02:08:09,300 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 59.781 -33616 6552.1 -40169 -40169 0.81563 2.4343 -0.13786 1.2368e+05 2023-02-20 02:08:11,571 INFO [main.py:643]
{rank 0/100} MD step = 72200 step time: 00:00:00.018017 Performance: 506.318 ns/day 0.047 hours/ns 29.301 steps/s 2023-02-20 02:08:12,959 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 59.88 -33632 6562.9 -40195 -40195 0.81951 2.4366 -0.13841 1.2383e+05 2023-02-20 02:08:14,787 INFO [main.py:643]
{rank 0/100} MD step = 72300 step time: 00:00:00.017933 Performance: 506.358 ns/day 0.047 hours/ns 29.303 steps/s 2023-02-20 02:08:16,007 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 59.701 -33492 6543.3 -40035 -40035 0.82187 2.4365 -0.14074 1.2404e+05 2023-02-20 02:08:17,984 INFO [main.py:643]
{rank 0/100} MD step = 72400 step time: 00:00:00.019352 Performance: 506.402 ns/day 0.047 hours/ns 29.306 steps/s 2023-02-20 02:08:19,200 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 60.145 -33453 6592 -40045 -40045 0.82633 2.4383 -0.1413 1.2419e+05 2023-02-20 02:08:21,143 INFO [main.py:643]
{rank 0/100} MD step = 72500 step time: 00:00:00.018268 Performance: 506.454 ns/day 0.047 hours/ns 29.309 steps/s 2023-02-20 02:08:22,360 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 60.183 -33511 6596.1 -40107 -40107 0.82989 2.4402 -0.14088 1.2436e+05 2023-02-20 02:08:24,273 INFO [main.py:643]
{rank 0/100} MD step = 72600 step time: 00:00:00.018456 Performance: 506.512 ns/day 0.047 hours/ns 29.312 steps/s 2023-02-20 02:08:25,542 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 60.381 -33568 6617.8 -40186 -40186 0.83281 2.4404 -0.14248 1.2453e+05 2023-02-20 02:08:27,442 INFO [main.py:643]
{rank 0/100} MD step = 72700 step time: 00:00:00.018096 Performance: 506.561 ns/day 0.047 hours/ns 29.315 steps/s 2023-02-20 02:08:28,628 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 60.42 -33552 6622.1 -40174 -40174 0.83547 2.4412 -0.14201 1.2468e+05 2023-02-20 02:08:30,611 INFO [main.py:643]
{rank 0/100} MD step = 72800 step time: 00:00:00.018641 Performance: 506.611 ns/day 0.047 hours/ns 29.318 steps/s 2023-02-20 02:08:31,928 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 60.51 -33463 6631.9 -40095 -40095 0.83885 2.4411 -0.14168 1.2488e+05 2023-02-20 02:08:33,849 INFO [main.py:643]
{rank 0/100} MD step = 72900 step time: 00:00:00.018176 Performance: 506.646 ns/day 0.047 hours/ns 29.320 steps/s 2023-02-20 02:08:35,177 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 60.545 -33455 6635.8 -40091 -40091 0.84344 2.4421 -0.14184 1.2506e+05 2023-02-20 02:08:37,056 INFO [main.py:643]
{rank 0/100} MD step = 73000 step time: 00:00:00.018493 Performance: 506.687 ns/day 0.047 hours/ns 29.322 steps/s 2023-02-20 02:08:38,335 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 61.34 -33349 6723 -40072 -40072 0.84588 2.4449 -0.14506 1.2524e+05 2023-02-20 02:08:40,302 INFO [main.py:643]
{rank 0/100} MD step = 73100 step time: 00:00:00.018332 Performance: 506.721 ns/day 0.047 hours/ns 29.324 steps/s 2023-02-20 02:08:41,520 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 58.803 -33672 6444.9 -40117 -40117 0.84938 2.4462 -0.14538 1.2539e+05 2023-02-20 02:08:43,485 INFO [main.py:643]
{rank 0/100} MD step = 73200 step time: 00:00:00.018231 Performance: 506.767 ns/day 0.047 hours/ns 29.327 steps/s 2023-02-20 02:08:44,877 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 60.058 -33542 6582.5 -40125 -40125 0.85462 2.4492 -0.14742 1.2558e+05 2023-02-20 02:08:46,737 INFO [main.py:643]
{rank 0/100} MD step = 73300 step time: 00:00:00.017969 Performance: 506.799 ns/day 0.047 hours/ns 29.329 steps/s 2023-02-20 02:08:47,940 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 59.911 -33524 6566.3 -40091 -40091 0.85784 2.4514 -0.14681 1.2574e+05 2023-02-20 02:08:49,864 INFO [main.py:643]
{rank 0/100} MD step = 73400 step time: 00:00:00.018896 Performance: 506.856 ns/day 0.047 hours/ns 29.332 steps/s 2023-02-20 02:08:51,164 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 59.635 -33639 6536.1 -40175 -40175 0.86378 2.4536 -0.14533 1.2588e+05 2023-02-20 02:08:53,096 INFO [main.py:643]
{rank 0/100} MD step = 73500 step time: 00:00:00.018631 Performance: 506.892 ns/day 0.047 hours/ns 29.334 steps/s 2023-02-20 02:08:53,969 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 60.707 -33456 6653.6 -40109 -40109 0.8678 2.4539 -0.14576 1.2607e+05 2023-02-20 02:08:56,302 INFO [main.py:643]
{rank 0/100} MD step = 73600 step time: 00:00:00.018029 Performance: 506.933 ns/day 0.047 hours/ns 29.336 steps/s 2023-02-20 02:08:57,580 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 73600 14720 58.578 -33673 6420.2 -40094 -40094 0.87178 2.4551 -0.14573 1.2624e+05 2023-02-20 02:08:59,497 INFO [main.py:643]
{rank 0/100} MD step = 73700 step time: 00:00:00.017961 Performance: 506.976 ns/day 0.047 hours/ns 29.339 steps/s 2023-02-20 02:09:00,782 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 61.06 -33386 6692.3 -40079 -40079 0.87472 2.4582 -0.14511 1.2642e+05 2023-02-20 02:09:02,777 INFO [main.py:643]
{rank 0/100} MD step = 73800 step time: 00:00:00.018911 Performance: 507.002 ns/day 0.047 hours/ns 29.340 steps/s 2023-02-20 02:09:04,093 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 59.885 -33587 6563.5 -40151 -40151 0.87792 2.4612 -0.14426 1.2657e+05 2023-02-20 02:09:05,991 INFO [main.py:643]
{rank 0/100} MD step = 73900 step time: 00:00:00.018756 Performance: 507.041 ns/day 0.047 hours/ns 29.343 steps/s 2023-02-20 02:09:07,246 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 59.849 -33563 6559.5 -40122 -40122 0.87979 2.4652 -0.1442 1.2676e+05 2023-02-20 02:09:09,210 INFO [main.py:643]
{rank 0/100} MD step = 74000 step time: 00:00:00.018445 Performance: 507.079 ns/day 0.047 hours/ns 29.345 steps/s 2023-02-20 02:09:10,513 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 59.534 -33569 6525.1 -40094 -40094 0.88331 2.4666 -0.14376 1.269e+05 2023-02-20 02:09:12,462 INFO [main.py:643]
{rank 0/100} MD step = 74100 step time: 00:00:00.018065 Performance: 507.110 ns/day 0.047 hours/ns 29.347 steps/s 2023-02-20 02:09:13,805 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 59.616 -33635 6534 -40169 -40169 0.88647 2.4679 -0.14332 1.2706e+05 2023-02-20 02:09:15,714 INFO [main.py:643]
{rank 0/100} MD step = 74200 step time: 00:00:00.018683 Performance: 507.142 ns/day 0.047 hours/ns 29.348 steps/s 2023-02-20 02:09:17,471 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 59.952 -33529 6570.8 -40100 -40100 0.8906 2.4699 -0.14546 1.2725e+05 2023-02-20 02:09:19,389 INFO [main.py:643]
{rank 0/100} MD step = 74300 step time: 00:00:00.018135 Performance: 507.088 ns/day 0.047 hours/ns 29.345 steps/s 2023-02-20 02:09:20,234 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 59.405 -33615 6510.8 -40125 -40125 0.89285 2.4712 -0.14555 1.2741e+05 2023-02-20 02:09:22,615 INFO [main.py:643]
{rank 0/100} MD step = 74400 step time: 00:00:00.018290 Performance: 507.124 ns/day 0.047 hours/ns 29.347 steps/s 2023-02-20 02:09:23,828 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 74400 14880 60.204 -33594 6598.5 -40193 -40193 0.89645 2.4724 -0.14724 1.2756e+05 2023-02-20 02:09:25,801 INFO [main.py:643]
{rank 0/100} MD step = 74500 step time: 00:00:00.018090 Performance: 507.169 ns/day 0.047 hours/ns 29.350 steps/s 2023-02-20 02:09:28,068 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 59.229 -33543 6491.6 -40034 -40034 0.90024 2.4722 -0.14797 1.2776e+05 2023-02-20 02:09:29,899 INFO [main.py:643]
{rank 0/100} MD step = 74600 step time: 00:00:00.017884 Performance: 507.031 ns/day 0.047 hours/ns 29.342 steps/s 2023-02-20 02:09:31,884 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 60.033 -33558 6579.7 -40138 -40138 0.90321 2.4757 -0.14805 1.2789e+05 2023-02-20 02:09:33,814 INFO [main.py:643]
{rank 0/100} MD step = 74700 step time: 00:00:00.018331 Performance: 506.930 ns/day 0.047 hours/ns 29.336 steps/s 2023-02-20 02:09:35,160 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 60.157 -33666 6593.3 -40259 -40259 0.90859 2.4769 -0.14748 1.2807e+05 2023-02-20 02:09:36,978 INFO [main.py:643]
{rank 0/100} MD step = 74800 step time: 00:00:00.018018 Performance: 506.979 ns/day 0.047 hours/ns 29.339 steps/s 2023-02-20 02:09:38,468 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 59.433 -33609 6513.9 -40123 -40123 0.91196 2.479 -0.14948 1.2831e+05 2023-02-20 02:09:40,323 INFO [main.py:643]
{rank 0/100} MD step = 74900 step time: 00:00:00.018240 Performance: 506.991 ns/day 0.047 hours/ns 29.340 steps/s 2023-02-20 02:09:41,677 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 60.06 -33434 6582.6 -40017 -40017 0.91343 2.4811 -0.14939 1.2849e+05 2023-02-20 02:09:43,539 INFO [main.py:643]
{rank 0/100} MD step = 75000 step time: 00:00:00.018373 Performance: 507.029 ns/day 0.047 hours/ns 29.342 steps/s 2023-02-20 02:09:44,954 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 75000 15000 60.417 -33552 6621.8 -40174 -40174 0.91834 2.4825 -0.15094 1.2864e+05 2023-02-20 02:09:46,845 INFO [main.py:643]
{rank 0/100} MD step = 75100 step time: 00:00:00.018060 Performance: 507.049 ns/day 0.047 hours/ns 29.343 steps/s 2023-02-20 02:09:48,045 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 59.968 -33533 6572.6 -40105 -40105 0.92211 2.4853 -0.15266 1.2882e+05 2023-02-20 02:09:50,062 INFO [main.py:643]
{rank 0/100} MD step = 75200 step time: 00:00:00.018504 Performance: 507.087 ns/day 0.047 hours/ns 29.345 steps/s 2023-02-20 02:09:53,218 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 59.576 -33656 6529.7 -40186 -40186 0.92422 2.4854 -0.15317 1.2896e+05 2023-02-20 02:09:55,093 INFO [main.py:643]
{rank 0/100} MD step = 75300 step time: 00:00:00.018300 Performance: 506.767 ns/day 0.047 hours/ns 29.327 steps/s 2023-02-20 02:09:56,366 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 59.877 -33637 6562.6 -40200 -40200 0.92761 2.4856 -0.1547 1.2914e+05 2023-02-20 02:09:58,303 INFO [main.py:643]
{rank 0/100} MD step = 75400 step time: 00:00:00.019311 Performance: 506.806 ns/day 0.047 hours/ns 29.329 steps/s 2023-02-20 02:09:59,571 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 60.27 -33293 6605.7 -39898 -39898 0.93219 2.4871 -0.15441 1.2935e+05 2023-02-20 02:10:01,504 INFO [main.py:643]
{rank 0/100} MD step = 75500 step time: 00:00:00.017826 Performance: 506.847 ns/day 0.047 hours/ns 29.331 steps/s 2023-02-20 02:10:02,731 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 59.903 -33516 6565.4 -40081 -40081 0.93533 2.4897 -0.15463 1.2949e+05 2023-02-20 02:10:04,690 INFO [main.py:643]
{rank 0/100} MD step = 75600 step time: 00:00:00.018695 Performance: 506.891 ns/day 0.047 hours/ns 29.334 steps/s 2023-02-20 02:10:06,061 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 59.948 -33592 6570.4 -40163 -40163 0.9372 2.492 -0.15456 1.2965e+05 2023-02-20 02:10:07,908 INFO [main.py:643]
{rank 0/100} MD step = 75700 step time: 00:00:00.020228 Performance: 506.929 ns/day 0.047 hours/ns 29.336 steps/s 2023-02-20 02:10:09,214 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 60.386 -33561 6618.4 -40180 -40180 0.93782 2.4928 -0.15523 1.2983e+05 2023-02-20 02:10:11,193 INFO [main.py:643]
{rank 0/100} MD step = 75800 step time: 00:00:00.018118 Performance: 506.953 ns/day 0.047 hours/ns 29.338 steps/s 2023-02-20 02:10:12,473 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 75800 15160 60.115 -33339 6588.6 -39928 -39928 0.94338 2.4934 -0.15568 1.3003e+05 2023-02-20 02:10:14,333 INFO [main.py:643]
{rank 0/100} MD step = 75900 step time: 00:00:00.018102 Performance: 507.005 ns/day 0.047 hours/ns 29.341 steps/s 2023-02-20 02:10:15,680 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 60.776 -33537 6661.1 -40198 -40198 0.94716 2.4942 -0.15738 1.3018e+05 2023-02-20 02:10:17,590 INFO [main.py:643]
{rank 0/100} MD step = 76000 step time: 00:00:00.018387 Performance: 507.035 ns/day 0.047 hours/ns 29.342 steps/s 2023-02-20 02:10:18,856 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 58.965 -33651 6462.6 -40114 -40114 0.95061 2.4945 -0.15549 1.3034e+05 2023-02-20 02:10:20,794 INFO [main.py:643]
{rank 0/100} MD step = 76100 step time: 00:00:00.018476 Performance: 507.075 ns/day 0.047 hours/ns 29.345 steps/s 2023-02-20 02:10:22,027 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 59.45 -33619 6515.8 -40135 -40135 0.95427 2.4972 -0.15735 1.3053e+05 2023-02-20 02:10:24,000 INFO [main.py:643]
{rank 0/100} MD step = 76200 step time: 00:00:00.018227 Performance: 507.114 ns/day 0.047 hours/ns 29.347 steps/s 2023-02-20 02:10:24,829 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 59.718 -33545 6545.2 -40090 -40090 0.9557 2.4994 -0.15752 1.307e+05 2023-02-20 02:10:27,143 INFO [main.py:643]
{rank 0/100} MD step = 76300 step time: 00:00:00.018222 Performance: 507.166 ns/day 0.047 hours/ns 29.350 steps/s 2023-02-20 02:10:28,543 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 60.645 -33626 6646.7 -40273 -40273 0.9581 2.5015 -0.15626 1.3084e+05 2023-02-20 02:10:30,435 INFO [main.py:643]
{rank 0/100} MD step = 76400 step time: 00:00:00.017927 Performance: 507.188 ns/day 0.047 hours/ns 29.351 steps/s 2023-02-20 02:10:31,722 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 60.615 -33527 6643.5 -40171 -40171 0.96223 2.5034 -0.15755 1.3101e+05 2023-02-20 02:10:33,634 INFO [main.py:643]
{rank 0/100} MD step = 76500 step time: 00:00:00.017875 Performance: 507.229 ns/day 0.047 hours/ns 29.354 steps/s 2023-02-20 02:10:34,912 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 59.35 -33508 6504.9 -40013 -40013 0.96435 2.5052 -0.15753 1.3121e+05 2023-02-20 02:10:36,774 INFO [main.py:643]
{rank 0/100} MD step = 76600 step time: 00:00:00.019054 Performance: 507.281 ns/day 0.047 hours/ns 29.357 steps/s 2023-02-20 02:10:37,983 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 59.504 -33426 6521.7 -39947 -39947 0.96638 2.5068 -0.15728 1.3138e+05 2023-02-20 02:10:39,981 INFO [main.py:643]
{rank 0/100} MD step = 76700 step time: 00:00:00.018283 Performance: 507.320 ns/day 0.047 hours/ns 29.359 steps/s 2023-02-20 02:10:42,202 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 59.947 -33578 6570.3 -40148 -40148 0.97009 2.5081 -0.15707 1.3152e+05 2023-02-20 02:10:44,143 INFO [main.py:643]
{rank 0/100} MD step = 76800 step time: 00:00:00.018353 Performance: 507.173 ns/day 0.047 hours/ns 29.350 steps/s 2023-02-20 02:10:45,514 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 76800 15360 60.695 -33378 6652.2 -40030 -40030 0.97312 2.5104 -0.15814 1.3173e+05 2023-02-20 02:10:47,385 INFO [main.py:643]
{rank 0/100} MD step = 76900 step time: 00:00:00.018369 Performance: 507.205 ns/day 0.047 hours/ns 29.352 steps/s 2023-02-20 02:10:48,753 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 59.376 -33665 6507.7 -40173 -40173 0.97615 2.5114 -0.15899 1.3188e+05 2023-02-20 02:10:50,587 INFO [main.py:643]
{rank 0/100} MD step = 77000 step time: 00:00:00.018105 Performance: 507.245 ns/day 0.047 hours/ns 29.354 steps/s 2023-02-20 02:10:51,699 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 59.372 -33558 6507.3 -40066 -40066 0.97837 2.5133 -0.15866 1.3208e+05 2023-02-20 02:10:53,779 INFO [main.py:643]
{rank 0/100} MD step = 77100 step time: 00:00:00.018412 Performance: 507.286 ns/day 0.047 hours/ns 29.357 steps/s 2023-02-20 02:10:54,993 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 59.692 -33533 6542.4 -40075 -40075 0.98118 2.5141 -0.15865 1.3224e+05 2023-02-20 02:10:56,915 INFO [main.py:643]
{rank 0/100} MD step = 77200 step time: 00:00:00.018219 Performance: 507.338 ns/day 0.047 hours/ns 29.360 steps/s 2023-02-20 02:10:58,120 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 77200 15440 59.135 -33621 6481.3 -40102 -40102 0.98369 2.5158 -0.16035 1.3242e+05 2023-02-20 02:11:00,052 INFO [main.py:643]
{rank 0/100} MD step = 77300 step time: 00:00:00.018143 Performance: 507.390 ns/day 0.047 hours/ns 29.363 steps/s 2023-02-20 02:11:01,374 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 60.804 -33522 6664.2 -40186 -40186 0.98662 2.5156 -0.16107 1.3258e+05 2023-02-20 02:11:03,314 INFO [main.py:643]
{rank 0/100} MD step = 77400 step time: 00:00:00.018330 Performance: 507.418 ns/day 0.047 hours/ns 29.364 steps/s 2023-02-20 02:11:04,709 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 60.923 -33435 6677.2 -40112 -40112 0.99011 2.5161 -0.16094 1.3275e+05 2023-02-20 02:11:07,187 INFO [main.py:643]
{rank 0/100} MD step = 77500 step time: 00:00:00.018259 Performance: 507.328 ns/day 0.047 hours/ns 29.359 steps/s 2023-02-20 02:11:08,335 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 77500 15500 60.305 -33416 6609.5 -40026 -40026 0.99283 2.5169 -0.15997 1.3294e+05 2023-02-20 02:11:10,428 INFO [main.py:643]
{rank 0/100} MD step = 77600 step time: 00:00:00.018124 Performance: 507.359 ns/day 0.047 hours/ns 29.361 steps/s 2023-02-20 02:11:11,650 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 77600 15520 59.589 -33598 6531 -40129 -40129 0.99542 2.519 -0.16026 1.3312e+05 2023-02-20 02:11:13,739 INFO [main.py:643]
{rank 0/100} MD step = 77700 step time: 00:00:00.018772 Performance: 507.378 ns/day 0.047 hours/ns 29.362 steps/s 2023-02-20 02:11:15,028 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 60.554 -33545 6636.8 -40182 -40182 0.9967 2.5209 -0.15989 1.3328e+05 2023-02-20 02:11:16,916 INFO [main.py:643]
{rank 0/100} MD step = 77800 step time: 00:00:00.022311 Performance: 507.421 ns/day 0.047 hours/ns 29.365 steps/s 2023-02-20 02:11:18,298 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 61.372 -33392 6726.5 -40119 -40119 1.0007 2.5215 -0.15997 1.3343e+05 2023-02-20 02:11:20,122 INFO [main.py:643]
{rank 0/100} MD step = 77900 step time: 00:00:00.018236 Performance: 507.460 ns/day 0.047 hours/ns 29.367 steps/s 2023-02-20 02:11:20,926 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 77900 15580 60.126 -33509 6589.9 -40099 -40099 1.0039 2.5221 -0.16007 1.3363e+05 2023-02-20 02:11:23,312 INFO [main.py:643]
{rank 0/100} MD step = 78000 step time: 00:00:00.018694 Performance: 507.501 ns/day 0.047 hours/ns 29.369 steps/s 2023-02-20 02:11:24,547 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 61.124 -33493 6699.3 -40192 -40192 1.009 2.5243 -0.16029 1.3376e+05 2023-02-20 02:11:26,461 INFO [main.py:643]
{rank 0/100} MD step = 78100 step time: 00:00:00.018562 Performance: 507.550 ns/day 0.047 hours/ns 29.372 steps/s 2023-02-20 02:11:27,720 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 59.694 -33478 6542.6 -40020 -40020 1.0096 2.5256 -0.16196 1.3395e+05 2023-02-20 02:11:29,580 INFO [main.py:643]
{rank 0/100} MD step = 78200 step time: 00:00:00.018001 Performance: 507.604 ns/day 0.047 hours/ns 29.375 steps/s 2023-02-20 02:11:30,369 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 59.47 -33568 6518 -40086 -40086 1.0129 2.526 -0.16003 1.3411e+05 2023-02-20 02:11:32,733 INFO [main.py:643]
{rank 0/100} MD step = 78300 step time: 00:00:00.018081 Performance: 507.652 ns/day 0.047 hours/ns 29.378 steps/s 2023-02-20 02:11:33,940 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 60.848 -33381 6669 -40050 -40050 1.0148 2.5263 -0.15949 1.3427e+05 2023-02-20 02:11:35,868 INFO [main.py:643]
{rank 0/100} MD step = 78400 step time: 00:00:00.018100 Performance: 507.703 ns/day 0.047 hours/ns 29.381 steps/s 2023-02-20 02:11:37,851 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 59.846 -33580 6559.2 -40140 -40140 1.0164 2.5274 -0.15892 1.3446e+05 2023-02-20 02:11:39,750 INFO [main.py:643]
{rank 0/100} MD step = 78500 step time: 00:00:00.018475 Performance: 507.612 ns/day 0.047 hours/ns 29.376 steps/s 2023-02-20 02:11:40,556 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 78500 15700 60.413 -33491 6621.3 -40112 -40112 1.0166 2.5272 -0.15874 1.3464e+05 2023-02-20 02:11:42,931 INFO [main.py:643]
{rank 0/100} MD step = 78600 step time: 00:00:00.019055 Performance: 507.654 ns/day 0.047 hours/ns 29.378 steps/s 2023-02-20 02:11:44,253 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 78600 15720 59.917 -33680 6567 -40247 -40247 1.0193 2.5287 -0.15784 1.3478e+05 2023-02-20 02:11:46,163 INFO [main.py:643]
{rank 0/100} MD step = 78700 step time: 00:00:00.018046 Performance: 507.687 ns/day 0.047 hours/ns 29.380 steps/s 2023-02-20 02:11:46,976 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 59.459 -33742 6516.8 -40259 -40259 1.0222 2.5314 -0.15902 1.3497e+05 2023-02-20 02:11:49,360 INFO [main.py:643]
{rank 0/100} MD step = 78800 step time: 00:00:00.018049 Performance: 507.726 ns/day 0.047 hours/ns 29.382 steps/s 2023-02-20 02:11:50,854 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 60.131 -33505 6590.4 -40096 -40096 1.0252 2.5321 -0.1601 1.3514e+05 2023-02-20 02:11:52,857 INFO [main.py:643]
{rank 0/100} MD step = 78900 step time: 00:00:00.018362 Performance: 507.709 ns/day 0.047 hours/ns 29.381 steps/s 2023-02-20 02:11:54,083 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 60.58 -33523 6639.7 -40163 -40163 1.0287 2.5327 -0.16052 1.3531e+05 2023-02-20 02:11:56,006 INFO [main.py:643]
{rank 0/100} MD step = 79000 step time: 00:00:00.018083 Performance: 507.756 ns/day 0.047 hours/ns 29.384 steps/s 2023-02-20 02:11:57,299 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 60.478 -33572 6628.5 -40201 -40201 1.0327 2.5354 -0.16067 1.3546e+05 2023-02-20 02:11:59,159 INFO [main.py:643]
{rank 0/100} MD step = 79100 step time: 00:00:00.018077 Performance: 507.804 ns/day 0.047 hours/ns 29.387 steps/s 2023-02-20 02:12:00,373 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 60.302 -33439 6609.2 -40048 -40048 1.0371 2.536 -0.16115 1.3567e+05 2023-02-20 02:12:02,300 INFO [main.py:643]
{rank 0/100} MD step = 79200 step time: 00:00:00.018171 Performance: 507.853 ns/day 0.047 hours/ns 29.390 steps/s 2023-02-20 02:12:03,699 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 60.002 -33476 6576.2 -40052 -40052 1.0387 2.5386 -0.16113 1.3584e+05 2023-02-20 02:12:05,648 INFO [main.py:643]
{rank 0/100} MD step = 79300 step time: 00:00:00.018328 Performance: 507.863 ns/day 0.047 hours/ns 29.390 steps/s 2023-02-20 02:12:06,793 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 59.607 -33718 6533.1 -40251 -40251 1.04 2.5397 -0.16062 1.3597e+05 2023-02-20 02:12:08,771 INFO [main.py:643]
{rank 0/100} MD step = 79400 step time: 00:00:00.018409 Performance: 507.916 ns/day 0.047 hours/ns 29.393 steps/s 2023-02-20 02:12:10,280 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 60.228 -33524 6601 -40125 -40125 1.0424 2.5409 -0.15968 1.3617e+05 2023-02-20 02:12:12,153 INFO [main.py:643]
{rank 0/100} MD step = 79500 step time: 00:00:00.017979 Performance: 507.920 ns/day 0.047 hours/ns 29.394 steps/s 2023-02-20 02:12:13,553 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 60.099 -33624 6586.9 -40211 -40211 1.0425 2.5422 -0.15818 1.3636e+05 2023-02-20 02:12:15,527 INFO [main.py:643]
{rank 0/100} MD step = 79600 step time: 00:00:00.017974 Performance: 507.925 ns/day 0.047 hours/ns 29.394 steps/s 2023-02-20 02:12:17,585 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 79600 15920 60.739 -33374 6657.1 -40031 -40031 1.0446 2.5448 -0.15723 1.3653e+05 2023-02-20 02:12:19,555 INFO [main.py:643]
{rank 0/100} MD step = 79700 step time: 00:00:00.022252 Performance: 507.808 ns/day 0.047 hours/ns 29.387 steps/s 2023-02-20 02:12:22,301 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 61.107 -33526 6697.4 -40223 -40223 1.048 2.5471 -0.15833 1.3665e+05 2023-02-20 02:12:24,412 INFO [main.py:643]
{rank 0/100} MD step = 79800 step time: 00:00:00.018637 Performance: 507.536 ns/day 0.047 hours/ns 29.371 steps/s 2023-02-20 02:12:29,261 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 60.193 -33476 6597.3 -40073 -40073 1.0506 2.5499 -0.15793 1.3684e+05 2023-02-20 02:12:31,207 INFO [main.py:643]
{rank 0/100} MD step = 79900 step time: 00:00:00.018030 Performance: 506.904 ns/day 0.047 hours/ns 29.335 steps/s 2023-02-20 02:12:32,657 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 79900 15980 59.573 -33545 6529.3 -40075 -40075 1.0528 2.55 -0.1586 1.3704e+05 2023-02-20 02:12:34,681 INFO [main.py:643]
{rank 0/100} MD step = 80000 step time: 00:00:00.018795 Performance: 506.892 ns/day 0.047 hours/ns 29.334 steps/s 2023-02-20 02:12:36,036 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 59.52 -33756 6523.5 -40280 -40280 1.0544 2.5508 -0.15831 1.3718e+05 2023-02-20 02:12:38,231 INFO [main.py:643]
{rank 0/100} MD step = 80100 step time: 00:00:00.017916 Performance: 506.866 ns/day 0.047 hours/ns 29.333 steps/s 2023-02-20 02:12:39,689 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 59.823 -33723 6556.6 -40280 -40280 1.0594 2.5534 -0.15958 1.3731e+05 2023-02-20 02:12:41,516 INFO [main.py:643]
{rank 0/100} MD step = 80200 step time: 00:00:00.018079 Performance: 506.889 ns/day 0.047 hours/ns 29.334 steps/s 2023-02-20 02:12:43,661 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 59.941 -33431 6569.6 -40001 -40001 1.0633 2.5552 -0.15923 1.3757e+05 2023-02-20 02:12:45,589 INFO [main.py:643]
{rank 0/100} MD step = 80300 step time: 00:00:00.018144 Performance: 506.766 ns/day 0.047 hours/ns 29.327 steps/s 2023-02-20 02:12:47,631 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 60.375 -33495 6617.2 -40112 -40112 1.0664 2.5563 -0.15991 1.3774e+05 2023-02-20 02:12:49,518 INFO [main.py:643]
{rank 0/100} MD step = 80400 step time: 00:00:00.018146 Performance: 506.670 ns/day 0.047 hours/ns 29.321 steps/s 2023-02-20 02:12:51,131 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 61.402 -33512 6729.7 -40241 -40241 1.0688 2.5575 -0.15847 1.3789e+05 2023-02-20 02:12:52,968 INFO [main.py:643]
{rank 0/100} MD step = 80500 step time: 00:00:00.018375 Performance: 506.663 ns/day 0.047 hours/ns 29.321 steps/s 2023-02-20 02:12:54,586 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 59.785 -33521 6552.5 -40074 -40074 1.074 2.56 -0.15833 1.3809e+05 2023-02-20 02:12:56,429 INFO [main.py:643]
{rank 0/100} MD step = 80600 step time: 00:00:00.018245 Performance: 506.653 ns/day 0.047 hours/ns 29.320 steps/s 2023-02-20 02:12:58,171 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 60.823 -33536 6666.2 -40202 -40202 1.0778 2.5599 -0.15782 1.3826e+05 2023-02-20 02:13:00,095 INFO [main.py:643]
{rank 0/100} MD step = 80700 step time: 00:00:00.019453 Performance: 506.606 ns/day 0.047 hours/ns 29.317 steps/s 2023-02-20 02:13:11,177 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 60.968 -33522 6682.2 -40204 -40204 1.0809 2.5608 -0.1574 1.3842e+05 2023-02-20 02:13:13,134 INFO [main.py:643]
{rank 0/100} MD step = 80800 step time: 00:00:00.020071 Performance: 504.843 ns/day 0.048 hours/ns 29.215 steps/s 2023-02-20 02:13:17,754 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 60.023 -33503 6578.6 -40082 -40082 1.0835 2.5642 -0.15824 1.3862e+05 2023-02-20 02:13:19,720 INFO [main.py:643]
{rank 0/100} MD step = 80900 step time: 00:00:00.018285 Performance: 504.267 ns/day 0.048 hours/ns 29.182 steps/s 2023-02-20 02:13:21,562 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 60.159 -33397 6593.5 -39990 -39990 1.0873 2.565 -0.15873 1.3881e+05 2023-02-20 02:13:23,465 INFO [main.py:643]
{rank 0/100} MD step = 81000 step time: 00:00:00.018285 Performance: 504.209 ns/day 0.048 hours/ns 29.179 steps/s 2023-02-20 02:13:24,941 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 59.8 -33608 6554.1 -40162 -40162 1.0903 2.5649 -0.15719 1.3894e+05 2023-02-20 02:13:26,842 INFO [main.py:643]
{rank 0/100} MD step = 81100 step time: 00:00:00.018641 Performance: 504.218 ns/day 0.048 hours/ns 29.179 steps/s 2023-02-20 02:13:28,127 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 81100 16220 60.068 -33612 6583.5 -40196 -40196 1.0934 2.5674 -0.15607 1.3912e+05 2023-02-20 02:13:30,254 INFO [main.py:643]
{rank 0/100} MD step = 81200 step time: 00:00:00.018113 Performance: 504.221 ns/day 0.048 hours/ns 29.179 steps/s 2023-02-20 02:13:31,537 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 60.041 -33511 6580.6 -40092 -40092 1.0972 2.5697 -0.15603 1.3929e+05 2023-02-20 02:13:33,443 INFO [main.py:643]
{rank 0/100} MD step = 81300 step time: 00:00:00.018072 Performance: 504.264 ns/day 0.048 hours/ns 29.182 steps/s 2023-02-20 02:13:34,941 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 60.84 -33496 6668.1 -40164 -40164 1.098 2.572 -0.15601 1.3947e+05 2023-02-20 02:13:36,862 INFO [main.py:643]
{rank 0/100} MD step = 81400 step time: 00:00:00.017987 Performance: 504.265 ns/day 0.048 hours/ns 29.182 steps/s 2023-02-20 02:13:38,245 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 60.529 -33387 6634.1 -40021 -40021 1.1032 2.5742 -0.15553 1.3965e+05 2023-02-20 02:13:40,170 INFO [main.py:643]
{rank 0/100} MD step = 81500 step time: 00:00:00.018117 Performance: 504.287 ns/day 0.048 hours/ns 29.183 steps/s 2023-02-20 02:13:41,769 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 59.691 -33522 6542.2 -40064 -40064 1.1037 2.5749 -0.15502 1.398e+05 2023-02-20 02:13:43,877 INFO [main.py:643]
{rank 0/100} MD step = 81600 step time: 00:00:00.018053 Performance: 504.236 ns/day 0.048 hours/ns 29.180 steps/s 2023-02-20 02:13:45,122 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 60.726 -33458 6655.6 -40114 -40114 1.1076 2.5778 -0.15407 1.3998e+05 2023-02-20 02:13:47,106 INFO [main.py:643]
{rank 0/100} MD step = 81700 step time: 00:00:00.018037 Performance: 504.272 ns/day 0.048 hours/ns 29.182 steps/s 2023-02-20 02:13:48,964 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 59.832 -33558 6557.7 -40116 -40116 1.11 2.5797 -0.15677 1.4017e+05 2023-02-20 02:13:50,828 INFO [main.py:643]
{rank 0/100} MD step = 81800 step time: 00:00:00.018097 Performance: 504.219 ns/day 0.048 hours/ns 29.179 steps/s 2023-02-20 02:13:52,048 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 60.701 -33255 6652.9 -39908 -39908 1.113 2.5824 -0.15655 1.4037e+05 2023-02-20 02:13:54,174 INFO [main.py:643]
{rank 0/100} MD step = 81900 step time: 00:00:00.018077 Performance: 504.233 ns/day 0.048 hours/ns 29.180 steps/s 2023-02-20 02:13:55,538 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 60.047 -33599 6581.2 -40180 -40180 1.1167 2.5829 -0.15619 1.4051e+05 2023-02-20 02:13:57,479 INFO [main.py:643]
{rank 0/100} MD step = 82000 step time: 00:00:00.018027 Performance: 504.255 ns/day 0.048 hours/ns 29.181 steps/s 2023-02-20 02:13:58,765 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 59.549 -33615 6526.6 -40141 -40141 1.1197 2.5837 -0.15666 1.4065e+05 2023-02-20 02:14:00,638 INFO [main.py:643]
{rank 0/100} MD step = 82100 step time: 00:00:00.017912 Performance: 504.303 ns/day 0.048 hours/ns 29.184 steps/s 2023-02-20 02:14:01,887 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 60.67 -33516 6649.5 -40165 -40165 1.1251 2.586 -0.15618 1.4084e+05 2023-02-20 02:14:03,898 INFO [main.py:643]
{rank 0/100} MD step = 82200 step time: 00:00:00.017933 Performance: 504.333 ns/day 0.048 hours/ns 29.186 steps/s 2023-02-20 02:14:05,318 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 59.398 -33491 6510.1 -40001 -40001 1.1287 2.5853 -0.15464 1.4104e+05 2023-02-20 02:14:07,326 INFO [main.py:643]
{rank 0/100} MD step = 82300 step time: 00:00:00.017988 Performance: 504.333 ns/day 0.048 hours/ns 29.186 steps/s 2023-02-20 02:14:08,724 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 60.43 -33448 6623.2 -40071 -40071 1.1335 2.5874 -0.15336 1.4116e+05 2023-02-20 02:14:10,582 INFO [main.py:643]
{rank 0/100} MD step = 82400 step time: 00:00:00.018637 Performance: 504.363 ns/day 0.048 hours/ns 29.188 steps/s 2023-02-20 02:14:11,531 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 59.959 -33586 6571.6 -40158 -40158 1.1382 2.5878 -0.15273 1.4131e+05 2023-02-20 02:14:13,938 INFO [main.py:643]
{rank 0/100} MD step = 82500 step time: 00:00:00.018023 Performance: 504.376 ns/day 0.048 hours/ns 29.188 steps/s 2023-02-20 02:14:15,553 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 59.392 -33639 6509.4 -40148 -40148 1.1423 2.589 -0.15437 1.4152e+05 2023-02-20 02:14:17,403 INFO [main.py:643]
{rank 0/100} MD step = 82600 step time: 00:00:00.018172 Performance: 504.369 ns/day 0.048 hours/ns 29.188 steps/s 2023-02-20 02:14:20,125 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 60.878 -33504 6672.3 -40177 -40177 1.1449 2.5907 -0.153 1.417e+05 2023-02-20 02:14:21,960 INFO [main.py:643]
{rank 0/100} MD step = 82700 step time: 00:00:00.018103 Performance: 504.167 ns/day 0.048 hours/ns 29.176 steps/s 2023-02-20 02:14:23,496 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 59.887 -33634 6563.7 -40197 -40197 1.1485 2.591 -0.15363 1.4189e+05 2023-02-20 02:14:25,377 INFO [main.py:643]
{rank 0/100} MD step = 82800 step time: 00:00:00.018240 Performance: 504.169 ns/day 0.048 hours/ns 29.176 steps/s 2023-02-20 02:14:26,634 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 60.712 -33412 6654.1 -40066 -40066 1.1505 2.5929 -0.15228 1.4209e+05 2023-02-20 02:14:28,805 INFO [main.py:643]
{rank 0/100} MD step = 82900 step time: 00:00:00.018088 Performance: 504.169 ns/day 0.048 hours/ns 29.176 steps/s 2023-02-20 02:14:30,167 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 61.013 -33498 6687.1 -40185 -40185 1.1522 2.5937 -0.15192 1.4222e+05 2023-02-20 02:14:31,986 INFO [main.py:643]
{rank 0/100} MD step = 83000 step time: 00:00:00.018786 Performance: 504.213 ns/day 0.048 hours/ns 29.179 steps/s 2023-02-20 02:14:33,292 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 59.929 -33611 6568.3 -40180 -40180 1.1554 2.5945 -0.15242 1.424e+05 2023-02-20 02:14:35,181 INFO [main.py:643]
{rank 0/100} MD step = 83100 step time: 00:00:00.018217 Performance: 504.254 ns/day 0.048 hours/ns 29.181 steps/s 2023-02-20 02:14:37,023 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 59.329 -33596 6502.5 -40099 -40099 1.1595 2.595 -0.15348 1.4258e+05 2023-02-20 02:14:38,931 INFO [main.py:643]
{rank 0/100} MD step = 83200 step time: 00:00:00.018130 Performance: 504.197 ns/day 0.048 hours/ns 29.178 steps/s 2023-02-20 02:14:41,243 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 59.866 -33603 6561.4 -40165 -40165 1.1627 2.5949 -0.15393 1.4273e+05 2023-02-20 02:14:43,161 INFO [main.py:643]
{rank 0/100} MD step = 83300 step time: 00:00:00.018090 Performance: 504.055 ns/day 0.048 hours/ns 29.170 steps/s 2023-02-20 02:14:44,640 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 59.447 -33585 6515.5 -40100 -40100 1.1664 2.5966 -0.15445 1.4291e+05 2023-02-20 02:14:46,449 INFO [main.py:643]
{rank 0/100} MD step = 83400 step time: 00:00:00.018267 Performance: 504.080 ns/day 0.048 hours/ns 29.171 steps/s 2023-02-20 02:14:47,804 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 60.508 -33557 6631.7 -40189 -40189 1.169 2.5985 -0.15362 1.4306e+05 2023-02-20 02:14:49,741 INFO [main.py:643]
{rank 0/100} MD step = 83500 step time: 00:00:00.018129 Performance: 504.104 ns/day 0.048 hours/ns 29.173 steps/s 2023-02-20 02:14:51,022 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 60.679 -33449 6650.5 -40099 -40099 1.1731 2.5995 -0.15214 1.4325e+05 2023-02-20 02:14:52,866 INFO [main.py:643]
{rank 0/100} MD step = 83600 step time: 00:00:00.018101 Performance: 504.157 ns/day 0.048 hours/ns 29.176 steps/s 2023-02-20 02:14:54,173 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 59.329 -33693 6502.5 -40195 -40195 1.1766 2.6012 -0.15243 1.434e+05 2023-02-20 02:14:56,014 INFO [main.py:643]
{rank 0/100} MD step = 83700 step time: 00:00:00.017925 Performance: 504.206 ns/day 0.048 hours/ns 29.179 steps/s 2023-02-20 02:14:57,258 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 60.487 -33447 6629.5 -40077 -40077 1.1799 2.6011 -0.15176 1.4361e+05 2023-02-20 02:14:59,210 INFO [main.py:643]
{rank 0/100} MD step = 83800 step time: 00:00:00.018177 Performance: 504.247 ns/day 0.048 hours/ns 29.181 steps/s 2023-02-20 02:15:00,861 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 60.254 -33466 6603.9 -40070 -40070 1.1835 2.6027 -0.15252 1.4378e+05 2023-02-20 02:15:02,815 INFO [main.py:643]
{rank 0/100} MD step = 83900 step time: 00:00:00.018154 Performance: 504.216 ns/day 0.048 hours/ns 29.179 steps/s 2023-02-20 02:15:04,139 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 83900 16780 59.805 -33594 6554.7 -40149 -40149 1.1884 2.6029 -0.15378 1.4395e+05 2023-02-20 02:15:06,050 INFO [main.py:643]
{rank 0/100} MD step = 84000 step time: 00:00:00.018283 Performance: 504.249 ns/day 0.048 hours/ns 29.181 steps/s 2023-02-20 02:15:07,636 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 59.614 -33555 6533.7 -40089 -40089 1.1934 2.6056 -0.15283 1.4411e+05 2023-02-20 02:15:09,541 INFO [main.py:643]
{rank 0/100} MD step = 84100 step time: 00:00:00.017988 Performance: 504.238 ns/day 0.048 hours/ns 29.180 steps/s 2023-02-20 02:15:10,655 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 60.015 -33537 6577.7 -40115 -40115 1.1974 2.6061 -0.15395 1.4429e+05 2023-02-20 02:15:13,276 INFO [main.py:643]
{rank 0/100} MD step = 84200 step time: 00:00:00.019098 Performance: 504.184 ns/day 0.048 hours/ns 29.177 steps/s 2023-02-20 02:15:14,584 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 60.464 -33515 6626.9 -40142 -40142 1.2013 2.6052 -0.15308 1.4445e+05 2023-02-20 02:15:16,489 INFO [main.py:643]
{rank 0/100} MD step = 84300 step time: 00:00:00.019761 Performance: 504.222 ns/day 0.048 hours/ns 29.179 steps/s 2023-02-20 02:15:17,768 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 59.577 -33500 6529.7 -40030 -40030 1.2049 2.6067 -0.15316 1.4466e+05 2023-02-20 02:15:19,658 INFO [main.py:643]
{rank 0/100} MD step = 84400 step time: 00:00:00.018272 Performance: 504.267 ns/day 0.048 hours/ns 29.182 steps/s 2023-02-20 02:15:21,558 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 61.088 -33364 6695.3 -40059 -40059 1.2094 2.6105 -0.15263 1.4484e+05 2023-02-20 02:15:23,399 INFO [main.py:643]
{rank 0/100} MD step = 84500 step time: 00:00:00.018018 Performance: 504.212 ns/day 0.048 hours/ns 29.179 steps/s 2023-02-20 02:15:25,198 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 59.477 -33565 6518.8 -40084 -40084 1.2145 2.6112 -0.15248 1.4499e+05 2023-02-20 02:15:27,162 INFO [main.py:643]
{rank 0/100} MD step = 84600 step time: 00:00:00.018169 Performance: 504.153 ns/day 0.048 hours/ns 29.176 steps/s 2023-02-20 02:15:28,535 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 84600 16920 59.585 -33447 6530.6 -39978 -39978 1.2177 2.6114 -0.15177 1.4519e+05 2023-02-20 02:15:30,550 INFO [main.py:643]
{rank 0/100} MD step = 84700 step time: 00:00:00.017970 Performance: 504.160 ns/day 0.048 hours/ns 29.176 steps/s 2023-02-20 02:15:32,245 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 59.536 -33647 6525.2 -40172 -40172 1.2221 2.6101 -0.15173 1.4533e+05 2023-02-20 02:15:34,050 INFO [main.py:643]
{rank 0/100} MD step = 84800 step time: 00:00:00.018037 Performance: 504.148 ns/day 0.048 hours/ns 29.175 steps/s 2023-02-20 02:15:35,325 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 60.177 -33549 6595.5 -40144 -40144 1.2254 2.6091 -0.15172 1.455e+05 2023-02-20 02:15:37,281 INFO [main.py:643]
{rank 0/100} MD step = 84900 step time: 00:00:00.018185 Performance: 504.182 ns/day 0.048 hours/ns 29.177 steps/s 2023-02-20 02:15:38,942 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 60.213 -33596 6599.4 -40195 -40195 1.2297 2.6115 -0.15243 1.4569e+05 2023-02-20 02:15:40,874 INFO [main.py:643]
{rank 0/100} MD step = 85000 step time: 00:00:00.018114 Performance: 504.153 ns/day 0.048 hours/ns 29.176 steps/s 2023-02-20 02:15:42,272 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 59.012 -33814 6467.8 -40282 -40282 1.2329 2.6137 -0.15218 1.4586e+05 2023-02-20 02:15:44,185 INFO [main.py:643]
{rank 0/100} MD step = 85100 step time: 00:00:00.017979 Performance: 504.173 ns/day 0.048 hours/ns 29.177 steps/s 2023-02-20 02:15:45,657 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 60.509 -33383 6631.8 -40015 -40015 1.2353 2.6142 -0.15306 1.4607e+05 2023-02-20 02:15:47,507 INFO [main.py:643]
{rank 0/100} MD step = 85200 step time: 00:00:00.018120 Performance: 504.191 ns/day 0.048 hours/ns 29.178 steps/s 2023-02-20 02:15:48,978 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 58.972 -33689 6463.4 -40152 -40152 1.2396 2.6173 -0.15352 1.462e+05 2023-02-20 02:15:50,808 INFO [main.py:643]
{rank 0/100} MD step = 85300 step time: 00:00:00.018849 Performance: 504.213 ns/day 0.048 hours/ns 29.179 steps/s 2023-02-20 02:15:52,572 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 60.044 -33599 6580.9 -40180 -40180 1.2439 2.6184 -0.15352 1.464e+05 2023-02-20 02:15:54,403 INFO [main.py:643]
{rank 0/100} MD step = 85400 step time: 00:00:00.017903 Performance: 504.184 ns/day 0.048 hours/ns 29.177 steps/s 2023-02-20 02:15:55,918 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 60.366 -33481 6616.2 -40097 -40097 1.2494 2.6186 -0.1544 1.4657e+05 2023-02-20 02:15:57,763 INFO [main.py:643]
{rank 0/100} MD step = 85500 step time: 00:00:00.018338 Performance: 504.196 ns/day 0.048 hours/ns 29.178 steps/s 2023-02-20 02:15:59,145 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 60.009 -33435 6577.1 -40012 -40012 1.2534 2.6214 -0.1544 1.4672e+05 2023-02-20 02:16:01,108 INFO [main.py:643]
{rank 0/100} MD step = 85600 step time: 00:00:00.019307 Performance: 504.210 ns/day 0.048 hours/ns 29.179 steps/s 2023-02-20 02:16:02,594 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 85600 17120 59.248 -33769 6493.6 -40263 -40263 1.2564 2.6219 -0.15456 1.4687e+05 2023-02-20 02:16:04,483 INFO [main.py:643]
{rank 0/100} MD step = 85700 step time: 00:00:00.018078 Performance: 504.219 ns/day 0.048 hours/ns 29.179 steps/s 2023-02-20 02:16:05,548 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 59.751 -33523 6548.8 -40072 -40072 1.258 2.6246 -0.1541 1.4705e+05 2023-02-20 02:16:07,962 INFO [main.py:643]
{rank 0/100} MD step = 85800 step time: 00:00:00.020960 Performance: 504.210 ns/day 0.048 hours/ns 29.179 steps/s 2023-02-20 02:16:09,289 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 60.097 -33585 6586.8 -40172 -40172 1.2635 2.627 -0.15511 1.4719e+05 2023-02-20 02:16:11,255 INFO [main.py:643]
{rank 0/100} MD step = 85900 step time: 00:00:00.018217 Performance: 504.233 ns/day 0.048 hours/ns 29.180 steps/s 2023-02-20 02:16:12,518 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 85900 17180 59.04 -33671 6470.9 -40142 -40142 1.2677 2.6284 -0.15776 1.4737e+05 2023-02-20 02:16:14,603 INFO [main.py:643]
{rank 0/100} MD step = 86000 step time: 00:00:00.018709 Performance: 504.247 ns/day 0.048 hours/ns 29.181 steps/s 2023-02-20 02:16:16,534 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 60.286 -33504 6607.4 -40112 -40112 1.2729 2.631 -0.15736 1.4752e+05 2023-02-20 02:16:18,527 INFO [main.py:643]
{rank 0/100} MD step = 86100 step time: 00:00:00.018031 Performance: 504.162 ns/day 0.048 hours/ns 29.176 steps/s 2023-02-20 02:16:19,904 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 60.4 -33547 6620 -40167 -40167 1.2751 2.6329 -0.15555 1.4773e+05 2023-02-20 02:16:21,784 INFO [main.py:643]
{rank 0/100} MD step = 86200 step time: 00:00:00.018203 Performance: 504.191 ns/day 0.048 hours/ns 29.178 steps/s 2023-02-20 02:16:23,478 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 86200 17240 60.237 -33555 6602.1 -40157 -40157 1.279 2.6355 -0.15875 1.4785e+05 2023-02-20 02:16:25,765 INFO [main.py:643]
{rank 0/100} MD step = 86300 step time: 00:00:00.018018 Performance: 504.096 ns/day 0.048 hours/ns 29.172 steps/s 2023-02-20 02:16:27,273 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 59.268 -33652 6495.9 -40148 -40148 1.2835 2.6383 -0.1577 1.4803e+05 2023-02-20 02:16:29,125 INFO [main.py:643]
{rank 0/100} MD step = 86400 step time: 00:00:00.018089 Performance: 504.108 ns/day 0.048 hours/ns 29.173 steps/s 2023-02-20 02:16:30,630 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 60.342 -33560 6613.5 -40173 -40173 1.2863 2.6408 -0.15791 1.4816e+05 2023-02-20 02:16:32,517 INFO [main.py:643]
{rank 0/100} MD step = 86500 step time: 00:00:00.018179 Performance: 504.114 ns/day 0.048 hours/ns 29.173 steps/s 2023-02-20 02:16:33,310 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 59.726 -33493 6546 -40039 -40039 1.2902 2.6428 -0.15812 1.4839e+05 2023-02-20 02:16:35,715 INFO [main.py:643]
{rank 0/100} MD step = 86600 step time: 00:00:00.018158 Performance: 504.153 ns/day 0.048 hours/ns 29.176 steps/s 2023-02-20 02:16:37,240 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 59.834 -33623 6557.9 -40181 -40181 1.2939 2.6432 -0.15991 1.4859e+05 2023-02-20 02:16:39,077 INFO [main.py:643]
{rank 0/100} MD step = 86700 step time: 00:00:00.017957 Performance: 504.164 ns/day 0.048 hours/ns 29.176 steps/s 2023-02-20 02:16:40,556 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 86700 17340 60.347 -33509 6614.1 -40123 -40123 1.299 2.6445 -0.16033 1.4875e+05 2023-02-20 02:16:42,470 INFO [main.py:643]
{rank 0/100} MD step = 86800 step time: 00:00:00.018119 Performance: 504.170 ns/day 0.048 hours/ns 29.177 steps/s 2023-02-20 02:16:43,851 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 60.213 -33452 6599.5 -40052 -40052 1.3033 2.6459 -0.16031 1.4896e+05 2023-02-20 02:16:45,746 INFO [main.py:643]
{rank 0/100} MD step = 86900 step time: 00:00:00.018002 Performance: 504.196 ns/day 0.048 hours/ns 29.178 steps/s 2023-02-20 02:16:47,114 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 59.31 -33619 6500.5 -40119 -40119 1.307 2.6474 -0.15978 1.4914e+05 2023-02-20 02:16:49,030 INFO [main.py:643]
{rank 0/100} MD step = 87000 step time: 00:00:00.018142 Performance: 504.220 ns/day 0.048 hours/ns 29.179 steps/s 2023-02-20 02:16:50,331 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 59.189 -33734 6487.2 -40221 -40221 1.3106 2.6494 -0.16186 1.4929e+05 2023-02-20 02:16:52,160 INFO [main.py:643]
{rank 0/100} MD step = 87100 step time: 00:00:00.019925 Performance: 504.270 ns/day 0.048 hours/ns 29.182 steps/s 2023-02-20 02:16:53,998 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 60.533 -33423 6634.5 -40057 -40057 1.3149 2.6497 -0.16235 1.495e+05 2023-02-20 02:16:55,910 INFO [main.py:643]
{rank 0/100} MD step = 87200 step time: 00:00:00.018253 Performance: 504.215 ns/day 0.048 hours/ns 29.179 steps/s 2023-02-20 02:16:57,121 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 60.389 -33446 6618.7 -40064 -40064 1.3182 2.651 -0.16276 1.4969e+05 2023-02-20 02:16:59,263 INFO [main.py:643]
{rank 0/100} MD step = 87300 step time: 00:00:00.018084 Performance: 504.228 ns/day 0.048 hours/ns 29.180 steps/s 2023-02-20 02:17:00,646 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 59.942 -33655 6569.7 -40224 -40224 1.3225 2.6516 -0.16456 1.4987e+05 2023-02-20 02:17:03,028 INFO [main.py:643]
{rank 0/100} MD step = 87400 step time: 00:00:00.018153 Performance: 504.171 ns/day 0.048 hours/ns 29.177 steps/s 2023-02-20 02:17:04,843 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 87400 17480 59.767 -33589 6550.6 -40139 -40139 1.3281 2.6535 -0.16444 1.5006e+05 2023-02-20 02:17:06,688 INFO [main.py:643]
{rank 0/100} MD step = 87500 step time: 00:00:00.018067 Performance: 504.132 ns/day 0.048 hours/ns 29.174 steps/s 2023-02-20 02:17:08,199 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 60.21 -33528 6599.1 -40127 -40127 1.3309 2.6542 -0.16428 1.5025e+05 2023-02-20 02:17:10,140 INFO [main.py:643]
{rank 0/100} MD step = 87600 step time: 00:00:00.018123 Performance: 504.128 ns/day 0.048 hours/ns 29.174 steps/s 2023-02-20 02:17:11,492 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 61.056 -33526 6691.8 -40218 -40218 1.3341 2.6583 -0.165 1.5044e+05 2023-02-20 02:17:13,516 INFO [main.py:643]
{rank 0/100} MD step = 87700 step time: 00:00:00.018231 Performance: 504.137 ns/day 0.048 hours/ns 29.175 steps/s 2023-02-20 02:17:14,878 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 60.417 -33600 6621.8 -40222 -40222 1.3395 2.6597 -0.16428 1.5061e+05 2023-02-20 02:17:16,893 INFO [main.py:643]
{rank 0/100} MD step = 87800 step time: 00:00:00.018147 Performance: 504.145 ns/day 0.048 hours/ns 29.175 steps/s 2023-02-20 02:17:18,218 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 87800 17560 60.195 -33467 6597.5 -40065 -40065 1.3438 2.6619 -0.1642 1.508e+05 2023-02-20 02:17:20,042 INFO [main.py:643]
{rank 0/100} MD step = 87900 step time: 00:00:00.018321 Performance: 504.192 ns/day 0.048 hours/ns 29.178 steps/s 2023-02-20 02:17:21,322 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 87900 17580 59.736 -33654 6547.2 -40202 -40202 1.3468 2.6637 -0.16504 1.5095e+05 2023-02-20 02:17:23,229 INFO [main.py:643]
{rank 0/100} MD step = 88000 step time: 00:00:00.018017 Performance: 504.232 ns/day 0.048 hours/ns 29.180 steps/s 2023-02-20 02:17:24,943 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 60.594 -33440 6641.2 -40081 -40081 1.3489 2.6651 -0.16748 1.5111e+05 2023-02-20 02:17:26,799 INFO [main.py:643]
{rank 0/100} MD step = 88100 step time: 00:00:00.018109 Performance: 504.208 ns/day 0.048 hours/ns 29.179 steps/s 2023-02-20 02:17:28,582 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 88100 17620 59.811 -33387 6555.4 -39943 -39943 1.3539 2.6666 -0.16743 1.5131e+05 2023-02-20 02:17:30,406 INFO [main.py:643]
{rank 0/100} MD step = 88200 step time: 00:00:00.017805 Performance: 504.178 ns/day 0.048 hours/ns 29.177 steps/s 2023-02-20 02:17:32,561 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 88200 17640 60.519 -33511 6632.9 -40143 -40143 1.3563 2.6679 -0.1679 1.5145e+05 2023-02-20 02:17:34,809 INFO [main.py:643]
{rank 0/100} MD step = 88300 step time: 00:00:00.017983 Performance: 504.015 ns/day 0.048 hours/ns 29.168 steps/s 2023-02-20 02:17:36,371 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 59.735 -33655 6547.1 -40202 -40202 1.3595 2.67 -0.16688 1.5159e+05 2023-02-20 02:17:38,241 INFO [main.py:643]
{rank 0/100} MD step = 88400 step time: 00:00:00.018378 Performance: 504.015 ns/day 0.048 hours/ns 29.168 steps/s 2023-02-20 02:17:40,361 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 59.24 -33646 6492.8 -40139 -40139 1.3627 2.673 -0.16573 1.5175e+05 2023-02-20 02:17:42,311 INFO [main.py:643]
{rank 0/100} MD step = 88500 step time: 00:00:00.019078 Performance: 503.908 ns/day 0.048 hours/ns 29.161 steps/s 2023-02-20 02:17:43,865 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 59.508 -33623 6522.2 -40145 -40145 1.3655 2.6741 -0.16599 1.5194e+05 2023-02-20 02:17:45,684 INFO [main.py:643]
{rank 0/100} MD step = 88600 step time: 00:00:00.017908 Performance: 503.918 ns/day 0.048 hours/ns 29.162 steps/s 2023-02-20 02:17:46,973 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 59.833 -33542 6557.8 -40100 -40100 1.3663 2.6754 -0.1667 1.5208e+05 2023-02-20 02:17:48,901 INFO [main.py:643]
{rank 0/100} MD step = 88700 step time: 00:00:00.018102 Performance: 503.953 ns/day 0.048 hours/ns 29.164 steps/s 2023-02-20 02:17:50,134 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 59.244 -33650 6493.3 -40143 -40143 1.3682 2.6765 -0.16744 1.5227e+05 2023-02-20 02:17:52,057 INFO [main.py:643]
{rank 0/100} MD step = 88800 step time: 00:00:00.018141 Performance: 503.998 ns/day 0.048 hours/ns 29.167 steps/s 2023-02-20 02:17:53,429 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 58.954 -33727 6461.4 -40189 -40189 1.3704 2.6792 -0.16847 1.5241e+05 2023-02-20 02:17:55,296 INFO [main.py:643]
{rank 0/100} MD step = 88900 step time: 00:00:00.018098 Performance: 504.029 ns/day 0.048 hours/ns 29.168 steps/s 2023-02-20 02:17:56,615 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 59.951 -33600 6570.7 -40170 -40170 1.3744 2.6808 -0.16976 1.5259e+05 2023-02-20 02:17:58,508 INFO [main.py:643]
{rank 0/100} MD step = 89000 step time: 00:00:00.018504 Performance: 504.065 ns/day 0.048 hours/ns 29.170 steps/s 2023-02-20 02:17:59,763 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 59.554 -33653 6527.2 -40180 -40180 1.3762 2.6825 -0.16883 1.5279e+05 2023-02-20 02:18:01,728 INFO [main.py:643]
{rank 0/100} MD step = 89100 step time: 00:00:00.018369 Performance: 504.099 ns/day 0.048 hours/ns 29.172 steps/s 2023-02-20 02:18:03,102 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 59.49 -33482 6520.2 -40002 -40002 1.3794 2.6853 -0.16951 1.5299e+05 2023-02-20 02:18:04,940 INFO [main.py:643]
{rank 0/100} MD step = 89200 step time: 00:00:00.017940 Performance: 504.135 ns/day 0.048 hours/ns 29.174 steps/s 2023-02-20 02:18:06,182 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 60.585 -33472 6640.2 -40112 -40112 1.3843 2.6868 -0.16924 1.5314e+05 2023-02-20 02:18:08,084 INFO [main.py:643]
{rank 0/100} MD step = 89300 step time: 00:00:00.018111 Performance: 504.182 ns/day 0.048 hours/ns 29.177 steps/s 2023-02-20 02:18:09,299 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 60.141 -33473 6591.5 -40065 -40065 1.3874 2.6878 -0.17038 1.533e+05 2023-02-20 02:18:11,247 INFO [main.py:643]
{rank 0/100} MD step = 89400 step time: 00:00:00.017948 Performance: 504.225 ns/day 0.048 hours/ns 29.180 steps/s 2023-02-20 02:18:12,503 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 60.036 -33538 6580 -40118 -40118 1.3897 2.6888 -0.16976 1.5345e+05 2023-02-20 02:18:14,406 INFO [main.py:643]
{rank 0/100} MD step = 89500 step time: 00:00:00.019741 Performance: 504.269 ns/day 0.048 hours/ns 29.182 steps/s 2023-02-20 02:18:15,766 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 59.636 -33588 6536.2 -40125 -40125 1.3923 2.6903 -0.17209 1.5363e+05 2023-02-20 02:18:17,590 INFO [main.py:643]
{rank 0/100} MD step = 89600 step time: 00:00:00.018204 Performance: 504.309 ns/day 0.048 hours/ns 29.185 steps/s 2023-02-20 02:18:18,937 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 60.229 -33365 6601.2 -39967 -39967 1.3964 2.6922 -0.17169 1.5385e+05 2023-02-20 02:18:20,851 INFO [main.py:643]
{rank 0/100} MD step = 89700 step time: 00:00:00.017834 Performance: 504.336 ns/day 0.048 hours/ns 29.186 steps/s 2023-02-20 02:18:22,150 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 60.02 -33533 6578.3 -40111 -40111 1.3984 2.6938 -0.17273 1.5394e+05 2023-02-20 02:18:23,996 INFO [main.py:643]
{rank 0/100} MD step = 89800 step time: 00:00:00.017958 Performance: 504.382 ns/day 0.048 hours/ns 29.189 steps/s 2023-02-20 02:18:25,162 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 60.247 -33597 6603.2 -40200 -40200 1.4007 2.6962 -0.17263 1.5413e+05 2023-02-20 02:18:27,141 INFO [main.py:643]
{rank 0/100} MD step = 89900 step time: 00:00:00.018010 Performance: 504.429 ns/day 0.048 hours/ns 29.191 steps/s 2023-02-20 02:18:28,546 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 60.507 -33562 6631.6 -40194 -40194 1.4046 2.697 -0.17157 1.5431e+05 2023-02-20 02:18:30,525 INFO [main.py:643]
{rank 0/100} MD step = 90000 step time: 00:00:00.018346 Performance: 504.435 ns/day 0.048 hours/ns 29.192 steps/s 2023-02-20 02:18:31,440 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 59.277 -33623 6496.9 -40120 -40120 1.4094 2.6968 -0.17134 1.545e+05 2023-02-20 02:18:33,845 INFO [main.py:643]
{rank 0/100} MD step = 90100 step time: 00:00:00.018048 Performance: 504.453 ns/day 0.048 hours/ns 29.193 steps/s 2023-02-20 02:18:38,648 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 59.812 -33582 6555.5 -40137 -40137 1.4119 2.6987 -0.17151 1.5468e+05 2023-02-20 02:18:42,807 INFO [main.py:643]
{rank 0/100} MD step = 90200 step time: 00:00:00.018034 Performance: 503.550 ns/day 0.048 hours/ns 29.141 steps/s 2023-02-20 02:18:44,122 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 59.424 -33634 6512.9 -40147 -40147 1.4144 2.7007 -0.17194 1.5484e+05 2023-02-20 02:18:46,025 INFO [main.py:643]
{rank 0/100} MD step = 90300 step time: 00:00:00.018018 Performance: 503.585 ns/day 0.048 hours/ns 29.143 steps/s 2023-02-20 02:18:47,255 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 60.614 -33512 6643.3 -40155 -40155 1.4173 2.7022 -0.17196 1.5498e+05 2023-02-20 02:18:49,125 INFO [main.py:643]
{rank 0/100} MD step = 90400 step time: 00:00:00.018163 Performance: 503.639 ns/day 0.048 hours/ns 29.146 steps/s 2023-02-20 02:18:53,964 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 59.322 -33612 6501.7 -40114 -40114 1.4217 2.7045 -0.17184 1.5516e+05 2023-02-20 02:18:55,943 INFO [main.py:643]
{rank 0/100} MD step = 90500 step time: 00:00:00.017985 Performance: 503.090 ns/day 0.048 hours/ns 29.114 steps/s 2023-02-20 02:18:57,434 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 60.073 -33509 6584.1 -40093 -40093 1.4261 2.707 -0.17197 1.5535e+05 2023-02-20 02:18:59,454 INFO [main.py:643]
{rank 0/100} MD step = 90600 step time: 00:00:00.018132 Performance: 503.078 ns/day 0.048 hours/ns 29.113 steps/s 2023-02-20 02:19:02,060 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 59.584 -33668 6530.5 -40198 -40198 1.4284 2.7094 -0.17296 1.5549e+05 2023-02-20 02:19:04,027 INFO [main.py:643]
{rank 0/100} MD step = 90700 step time: 00:00:00.018082 Performance: 502.894 ns/day 0.048 hours/ns 29.103 steps/s 2023-02-20 02:19:05,755 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 60.415 -33524 6621.5 -40146 -40146 1.4312 2.7096 -0.17393 1.5569e+05 2023-02-20 02:19:07,594 INFO [main.py:643]
{rank 0/100} MD step = 90800 step time: 00:00:00.018033 Performance: 502.873 ns/day 0.048 hours/ns 29.101 steps/s 2023-02-20 02:19:09,010 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 59.645 -33578 6537.1 -40115 -40115 1.4348 2.7093 -0.17435 1.5583e+05 2023-02-20 02:19:10,809 INFO [main.py:643]
{rank 0/100} MD step = 90900 step time: 00:00:00.017998 Performance: 502.908 ns/day 0.048 hours/ns 29.103 steps/s 2023-02-20 02:19:12,122 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 60.403 -33422 6620.3 -40043 -40043 1.4365 2.7105 -0.17341 1.5598e+05 2023-02-20 02:19:13,977 INFO [main.py:643]
{rank 0/100} MD step = 91000 step time: 00:00:00.017938 Performance: 502.952 ns/day 0.048 hours/ns 29.106 steps/s 2023-02-20 02:19:15,469 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 91000 18200 59.651 -33523 6537.8 -40061 -40061 1.4415 2.7114 -0.17469 1.5616e+05 2023-02-20 02:19:17,347 INFO [main.py:643]
{rank 0/100} MD step = 91100 step time: 00:00:00.018385 Performance: 502.962 ns/day 0.048 hours/ns 29.107 steps/s 2023-02-20 02:19:18,252 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 60.216 -33510 6599.7 -40110 -40110 1.4436 2.7116 -0.1747 1.5631e+05 2023-02-20 02:19:20,717 INFO [main.py:643]
{rank 0/100} MD step = 91200 step time: 00:00:00.018445 Performance: 502.973 ns/day 0.048 hours/ns 29.107 steps/s 2023-02-20 02:19:22,418 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 59.935 -33551 6568.9 -40120 -40120 1.4466 2.7138 -0.17491 1.5647e+05 2023-02-20 02:19:24,267 INFO [main.py:643]
{rank 0/100} MD step = 91300 step time: 00:00:00.018683 Performance: 502.954 ns/day 0.048 hours/ns 29.106 steps/s 2023-02-20 02:19:25,489 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 91300 18260 59.99 -33554 6575 -40129 -40129 1.4502 2.7162 -0.17631 1.5667e+05 2023-02-20 02:19:27,423 INFO [main.py:643]
{rank 0/100} MD step = 91400 step time: 00:00:00.018482 Performance: 502.999 ns/day 0.048 hours/ns 29.109 steps/s 2023-02-20 02:19:28,613 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 91400 18280 59.891 -33552 6564.1 -40116 -40116 1.4541 2.7171 -0.17736 1.5682e+05 2023-02-20 02:19:30,622 INFO [main.py:643]
{rank 0/100} MD step = 91500 step time: 00:00:00.018321 Performance: 503.037 ns/day 0.048 hours/ns 29.111 steps/s 2023-02-20 02:19:31,923 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 60.421 -33474 6622.2 -40097 -40097 1.4566 2.7197 -0.17631 1.5698e+05 2023-02-20 02:19:33,776 INFO [main.py:643]
{rank 0/100} MD step = 91600 step time: 00:00:00.018119 Performance: 503.082 ns/day 0.048 hours/ns 29.114 steps/s 2023-02-20 02:19:35,185 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 60.186 -33631 6596.5 -40228 -40228 1.4598 2.7218 -0.1736 1.5715e+05 2023-02-20 02:19:37,055 INFO [main.py:643]
{rank 0/100} MD step = 91700 step time: 00:00:00.018665 Performance: 503.107 ns/day 0.048 hours/ns 29.115 steps/s 2023-02-20 02:19:38,426 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 91700 18340 60.015 -33596 6577.8 -40174 -40174 1.4631 2.722 -0.17479 1.573e+05 2023-02-20 02:19:40,278 INFO [main.py:643]
{rank 0/100} MD step = 91800 step time: 00:00:00.018112 Performance: 503.141 ns/day 0.048 hours/ns 29.117 steps/s 2023-02-20 02:19:41,736 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 60.467 -33430 6627.3 -40057 -40057 1.4667 2.7236 -0.17587 1.5749e+05 2023-02-20 02:19:43,618 INFO [main.py:643]
{rank 0/100} MD step = 91900 step time: 00:00:00.018028 Performance: 503.156 ns/day 0.048 hours/ns 29.118 steps/s 2023-02-20 02:19:44,842 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 91900 18380 59.09 -33706 6476.3 -40183 -40183 1.472 2.7254 -0.17618 1.5764e+05 2023-02-20 02:19:46,843 INFO [main.py:643]
{rank 0/100} MD step = 92000 step time: 00:00:00.018170 Performance: 503.189 ns/day 0.048 hours/ns 29.120 steps/s 2023-02-20 02:19:48,182 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 60.077 -33514 6584.5 -40098 -40098 1.4736 2.7253 -0.17611 1.5782e+05 2023-02-20 02:19:50,300 INFO [main.py:643]
{rank 0/100} MD step = 92100 step time: 00:00:00.018089 Performance: 503.185 ns/day 0.048 hours/ns 29.120 steps/s 2023-02-20 02:19:52,109 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 59.998 -33507 6575.8 -40083 -40083 1.4765 2.7273 -0.17559 1.58e+05 2023-02-20 02:19:53,982 INFO [main.py:643]
{rank 0/100} MD step = 92200 step time: 00:00:00.017975 Performance: 503.146 ns/day 0.048 hours/ns 29.117 steps/s 2023-02-20 02:19:55,633 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 61.095 -33446 6696.1 -40142 -40142 1.4792 2.7307 -0.17449 1.5815e+05 2023-02-20 02:19:57,481 INFO [main.py:643]
{rank 0/100} MD step = 92300 step time: 00:00:00.018678 Performance: 503.136 ns/day 0.048 hours/ns 29.117 steps/s 2023-02-20 02:19:58,701 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 59.926 -33552 6567.9 -40120 -40120 1.4827 2.7339 -0.17504 1.5834e+05 2023-02-20 02:20:00,674 INFO [main.py:643]
{rank 0/100} MD step = 92400 step time: 00:00:00.018134 Performance: 503.174 ns/day 0.048 hours/ns 29.119 steps/s 2023-02-20 02:20:02,142 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 59.559 -33617 6527.8 -40145 -40145 1.4868 2.7369 -0.17502 1.5852e+05 2023-02-20 02:20:04,070 INFO [main.py:643]
{rank 0/100} MD step = 92500 step time: 00:00:00.018581 Performance: 503.180 ns/day 0.048 hours/ns 29.119 steps/s 2023-02-20 02:20:05,369 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 60.347 -33520 6614.1 -40134 -40134 1.4882 2.7405 -0.17592 1.5872e+05 2023-02-20 02:20:07,285 INFO [main.py:643]
{rank 0/100} MD step = 92600 step time: 00:00:00.018073 Performance: 503.215 ns/day 0.048 hours/ns 29.121 steps/s 2023-02-20 02:20:08,588 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 59.906 -33610 6565.7 -40176 -40176 1.4913 2.7421 -0.17506 1.5887e+05 2023-02-20 02:20:10,484 INFO [main.py:643]
{rank 0/100} MD step = 92700 step time: 00:00:00.018012 Performance: 503.252 ns/day 0.048 hours/ns 29.123 steps/s 2023-02-20 02:20:11,950 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 59.823 -33537 6556.6 -40093 -40093 1.4958 2.7435 -0.17339 1.5906e+05 2023-02-20 02:20:13,807 INFO [main.py:643]
{rank 0/100} MD step = 92800 step time: 00:00:00.018119 Performance: 503.269 ns/day 0.048 hours/ns 29.124 steps/s 2023-02-20 02:20:15,188 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 60.074 -33662 6584.2 -40246 -40246 1.497 2.7469 -0.17451 1.5921e+05 2023-02-20 02:20:17,034 INFO [main.py:643]
{rank 0/100} MD step = 92900 step time: 00:00:00.017863 Performance: 503.302 ns/day 0.048 hours/ns 29.126 steps/s 2023-02-20 02:20:18,387 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 60.719 -33458 6654.8 -40113 -40113 1.4985 2.7481 -0.1746 1.594e+05 2023-02-20 02:20:20,254 INFO [main.py:643]
{rank 0/100} MD step = 93000 step time: 00:00:00.018235 Performance: 503.336 ns/day 0.048 hours/ns 29.128 steps/s 2023-02-20 02:20:21,790 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 59.555 -33619 6527.3 -40147 -40147 1.5035 2.7507 -0.17497 1.5958e+05 2023-02-20 02:20:23,710 INFO [main.py:643]
{rank 0/100} MD step = 93100 step time: 00:00:00.018526 Performance: 503.332 ns/day 0.048 hours/ns 29.128 steps/s 2023-02-20 02:20:24,529 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 59.668 -33512 6539.7 -40051 -40051 1.5062 2.7533 -0.17662 1.5977e+05 2023-02-20 02:20:27,292 INFO [main.py:643]
{rank 0/100} MD step = 93200 step time: 00:00:00.018057 Performance: 503.309 ns/day 0.048 hours/ns 29.127 steps/s 2023-02-20 02:20:28,842 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 59.904 -33651 6565.6 -40217 -40217 1.5088 2.754 -0.17587 1.5994e+05 2023-02-20 02:20:30,678 INFO [main.py:643]
{rank 0/100} MD step = 93300 step time: 00:00:00.017987 Performance: 503.316 ns/day 0.048 hours/ns 29.127 steps/s 2023-02-20 02:20:32,053 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 60.909 -33470 6675.7 -40146 -40146 1.5109 2.7541 -0.17601 1.6011e+05 2023-02-20 02:20:34,034 INFO [main.py:643]
{rank 0/100} MD step = 93400 step time: 00:00:00.020333 Performance: 503.328 ns/day 0.048 hours/ns 29.128 steps/s 2023-02-20 02:20:35,592 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 59.366 -33653 6506.5 -40160 -40160 1.513 2.7562 -0.17815 1.6029e+05 2023-02-20 02:20:37,479 INFO [main.py:643]
{rank 0/100} MD step = 93500 step time: 00:00:00.018374 Performance: 503.326 ns/day 0.048 hours/ns 29.128 steps/s 2023-02-20 02:20:38,998 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 59.865 -33463 6561.3 -40025 -40025 1.5159 2.7584 -0.17948 1.6047e+05 2023-02-20 02:20:40,904 INFO [main.py:643]
{rank 0/100} MD step = 93600 step time: 00:00:00.018003 Performance: 503.328 ns/day 0.048 hours/ns 29.128 steps/s 2023-02-20 02:20:42,164 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 59.748 -33470 6548.4 -40018 -40018 1.5205 2.7607 -0.17839 1.6064e+05 2023-02-20 02:20:44,172 INFO [main.py:643]
{rank 0/100} MD step = 93700 step time: 00:00:00.018050 Performance: 503.353 ns/day 0.048 hours/ns 29.129 steps/s 2023-02-20 02:20:45,605 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 60.2 -33400 6598 -39998 -39998 1.5214 2.7621 -0.17885 1.6079e+05 2023-02-20 02:20:47,540 INFO [main.py:643]
{rank 0/100} MD step = 93800 step time: 00:00:00.017860 Performance: 503.363 ns/day 0.048 hours/ns 29.130 steps/s 2023-02-20 02:20:48,929 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 59.604 -33653 6532.7 -40185 -40185 1.5261 2.7647 -0.17955 1.6095e+05 2023-02-20 02:20:50,795 INFO [main.py:643]
{rank 0/100} MD step = 93900 step time: 00:00:00.018066 Performance: 503.391 ns/day 0.048 hours/ns 29.131 steps/s 2023-02-20 02:20:52,840 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 60.228 -33612 6601.1 -40213 -40213 1.5281 2.7666 -0.18037 1.6109e+05 2023-02-20 02:20:54,704 INFO [main.py:643]
{rank 0/100} MD step = 94000 step time: 00:00:00.018146 Performance: 503.317 ns/day 0.048 hours/ns 29.127 steps/s 2023-02-20 02:20:56,035 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 61.123 -33389 6699.1 -40088 -40088 1.5304 2.7689 -0.18018 1.6127e+05 2023-02-20 02:20:57,908 INFO [main.py:643]
{rank 0/100} MD step = 94100 step time: 00:00:00.023088 Performance: 503.353 ns/day 0.048 hours/ns 29.129 steps/s 2023-02-20 02:20:59,198 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 59.813 -33508 6555.6 -40063 -40063 1.5325 2.7701 -0.17974 1.6142e+05 2023-02-20 02:21:01,179 INFO [main.py:643]
{rank 0/100} MD step = 94200 step time: 00:00:00.017953 Performance: 503.378 ns/day 0.048 hours/ns 29.131 steps/s 2023-02-20 02:21:02,410 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 58.623 -33604 6425.1 -40029 -40029 1.5366 2.7726 -0.1791 1.6158e+05 2023-02-20 02:21:04,343 INFO [main.py:643]
{rank 0/100} MD step = 94300 step time: 00:00:00.018245 Performance: 503.420 ns/day 0.048 hours/ns 29.133 steps/s 2023-02-20 02:21:05,545 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 59.914 -33473 6566.6 -40039 -40039 1.5399 2.7761 -0.17849 1.6176e+05 2023-02-20 02:21:07,519 INFO [main.py:643]
{rank 0/100} MD step = 94400 step time: 00:00:00.018096 Performance: 503.460 ns/day 0.048 hours/ns 29.135 steps/s 2023-02-20 02:21:08,810 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 60.377 -33493 6617.4 -40111 -40111 1.5417 2.7792 -0.17981 1.6191e+05 2023-02-20 02:21:10,850 INFO [main.py:643]
{rank 0/100} MD step = 94500 step time: 00:00:00.018116 Performance: 503.475 ns/day 0.048 hours/ns 29.136 steps/s 2023-02-20 02:21:11,807 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 60.164 -33496 6594.1 -40090 -40090 1.5455 2.7817 -0.17971 1.6207e+05 2023-02-20 02:21:14,364 INFO [main.py:643]
{rank 0/100} MD step = 94600 step time: 00:00:00.018528 Performance: 503.463 ns/day 0.048 hours/ns 29.136 steps/s 2023-02-20 02:21:15,656 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 59.93 -33477 6568.4 -40046 -40046 1.5482 2.7824 -0.17974 1.6223e+05 2023-02-20 02:21:17,587 INFO [main.py:643]
{rank 0/100} MD step = 94700 step time: 00:00:00.021077 Performance: 503.495 ns/day 0.048 hours/ns 29.137 steps/s 2023-02-20 02:21:19,171 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 60.639 -33375 6646.1 -40021 -40021 1.5525 2.7858 -0.17793 1.624e+05 2023-02-20 02:21:21,043 INFO [main.py:643]
{rank 0/100} MD step = 94800 step time: 00:00:00.018397 Performance: 503.491 ns/day 0.048 hours/ns 29.137 steps/s 2023-02-20 02:21:22,642 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 59.683 -33530 6541.3 -40071 -40071 1.5567 2.7881 -0.1773 1.6258e+05 2023-02-20 02:21:24,503 INFO [main.py:643]
{rank 0/100} MD step = 94900 step time: 00:00:00.018188 Performance: 503.487 ns/day 0.048 hours/ns 29.137 steps/s 2023-02-20 02:21:26,230 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 59.373 -33633 6507.4 -40140 -40140 1.5599 2.791 -0.1779 1.6276e+05 2023-02-20 02:21:28,246 INFO [main.py:643]
{rank 0/100} MD step = 95000 step time: 00:00:00.018176 Performance: 503.439 ns/day 0.048 hours/ns 29.134 steps/s 2023-02-20 02:21:29,973 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 95000 19000 59.476 -33570 6518.7 -40089 -40089 1.5652 2.7924 -0.17891 1.6292e+05 2023-02-20 02:21:32,361 INFO [main.py:643]
{rank 0/100} MD step = 95100 step time: 00:00:00.018184 Performance: 503.334 ns/day 0.048 hours/ns 29.128 steps/s 2023-02-20 02:21:33,623 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 60.246 -33520 6603 -40123 -40123 1.5681 2.7943 -0.17848 1.6309e+05 2023-02-20 02:21:35,590 INFO [main.py:643]
{rank 0/100} MD step = 95200 step time: 00:00:00.018812 Performance: 503.365 ns/day 0.048 hours/ns 29.130 steps/s 2023-02-20 02:21:37,187 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 95200 19040 60.4 -33586 6619.9 -40206 -40206 1.5698 2.7955 -0.17839 1.6328e+05 2023-02-20 02:21:39,266 INFO [main.py:643]
{rank 0/100} MD step = 95300 step time: 00:00:00.018509 Performance: 503.328 ns/day 0.048 hours/ns 29.128 steps/s 2023-02-20 02:21:40,765 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 59.673 -33639 6540.2 -40179 -40179 1.5734 2.7971 -0.17912 1.6345e+05 2023-02-20 02:21:42,587 INFO [main.py:643]
{rank 0/100} MD step = 95400 step time: 00:00:00.018425 Performance: 503.345 ns/day 0.048 hours/ns 29.129 steps/s 2023-02-20 02:21:44,051 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 60.714 -33541 6654.3 -40196 -40196 1.5775 2.7976 -0.17908 1.636e+05 2023-02-20 02:21:46,049 INFO [main.py:643]
{rank 0/100} MD step = 95500 step time: 00:00:00.021740 Performance: 503.341 ns/day 0.048 hours/ns 29.129 steps/s 2023-02-20 02:21:47,369 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 60.307 -33461 6609.7 -40071 -40071 1.5831 2.7994 -0.17805 1.6377e+05 2023-02-20 02:21:49,311 INFO [main.py:643]
{rank 0/100} MD step = 95600 step time: 00:00:00.018027 Performance: 503.367 ns/day 0.048 hours/ns 29.130 steps/s 2023-02-20 02:21:50,538 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 95600 19120 59.921 -33507 6567.5 -40074 -40074 1.5868 2.7998 -0.17752 1.6394e+05 2023-02-20 02:21:52,525 INFO [main.py:643]
{rank 0/100} MD step = 95700 step time: 00:00:00.018041 Performance: 503.400 ns/day 0.048 hours/ns 29.132 steps/s 2023-02-20 02:21:53,889 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 59.984 -33495 6574.3 -40069 -40069 1.5899 2.8007 -0.17889 1.6408e+05 2023-02-20 02:21:55,735 INFO [main.py:643]
{rank 0/100} MD step = 95800 step time: 00:00:00.018138 Performance: 503.434 ns/day 0.048 hours/ns 29.134 steps/s 2023-02-20 02:21:57,151 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 60.324 -33591 6611.6 -40203 -40203 1.5931 2.8017 -0.17673 1.6426e+05 2023-02-20 02:21:58,989 INFO [main.py:643]
{rank 0/100} MD step = 95900 step time: 00:00:00.018071 Performance: 503.462 ns/day 0.048 hours/ns 29.136 steps/s 2023-02-20 02:22:00,254 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 60.153 -33567 6592.9 -40160 -40160 1.5952 2.8025 -0.1775 1.6442e+05 2023-02-20 02:22:02,181 INFO [main.py:643]
{rank 0/100} MD step = 96000 step time: 00:00:00.018300 Performance: 503.498 ns/day 0.048 hours/ns 29.138 steps/s 2023-02-20 02:22:03,445 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 60.452 -33570 6625.6 -40195 -40195 1.5975 2.8045 -0.17582 1.6458e+05 2023-02-20 02:22:05,338 INFO [main.py:643]
{rank 0/100} MD step = 96100 step time: 00:00:00.018299 Performance: 503.540 ns/day 0.048 hours/ns 29.140 steps/s 2023-02-20 02:22:06,590 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 59.538 -33559 6525.4 -40084 -40084 1.6027 2.8072 -0.17532 1.6477e+05 2023-02-20 02:22:08,495 INFO [main.py:643]
{rank 0/100} MD step = 96200 step time: 00:00:00.018052 Performance: 503.582 ns/day 0.048 hours/ns 29.142 steps/s 2023-02-20 02:22:09,786 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 59.655 -33534 6538.3 -40073 -40073 1.6087 2.8087 -0.17565 1.6492e+05 2023-02-20 02:22:11,660 INFO [main.py:643]
{rank 0/100} MD step = 96300 step time: 00:00:00.018164 Performance: 503.623 ns/day 0.048 hours/ns 29.145 steps/s 2023-02-20 02:22:13,025 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 60.576 -33469 6639.2 -40108 -40108 1.613 2.8091 -0.17465 1.6507e+05 2023-02-20 02:22:14,942 INFO [main.py:643]
{rank 0/100} MD step = 96400 step time: 00:00:00.018388 Performance: 503.646 ns/day 0.048 hours/ns 29.146 steps/s 2023-02-20 02:22:16,451 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 60.272 -33590 6605.9 -40196 -40196 1.6168 2.8105 -0.17485 1.6524e+05 2023-02-20 02:22:18,349 INFO [main.py:643]
{rank 0/100} MD step = 96500 step time: 00:00:00.018215 Performance: 503.649 ns/day 0.048 hours/ns 29.146 steps/s 2023-02-20 02:22:19,803 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 59.408 -33604 6511.2 -40115 -40115 1.6197 2.8119 -0.17567 1.6542e+05 2023-02-20 02:22:21,644 INFO [main.py:643]
{rank 0/100} MD step = 96600 step time: 00:00:00.018228 Performance: 503.670 ns/day 0.048 hours/ns 29.148 steps/s 2023-02-20 02:22:22,935 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 96600 19320 59.856 -33518 6560.3 -40078 -40078 1.6246 2.8123 -0.17572 1.6559e+05 2023-02-20 02:22:24,866 INFO [main.py:643]
{rank 0/100} MD step = 96700 step time: 00:00:00.018263 Performance: 503.702 ns/day 0.048 hours/ns 29.149 steps/s 2023-02-20 02:22:26,114 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 59.672 -33465 6540.1 -40005 -40005 1.6274 2.8122 -0.17643 1.6579e+05 2023-02-20 02:22:28,048 INFO [main.py:643]
{rank 0/100} MD step = 96800 step time: 00:00:00.017917 Performance: 503.739 ns/day 0.048 hours/ns 29.152 steps/s 2023-02-20 02:22:29,366 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 96800 19360 59.518 -33616 6523.3 -40140 -40140 1.6296 2.812 -0.17811 1.6595e+05 2023-02-20 02:22:31,185 INFO [main.py:643]
{rank 0/100} MD step = 96900 step time: 00:00:00.018085 Performance: 503.784 ns/day 0.048 hours/ns 29.154 steps/s 2023-02-20 02:22:32,460 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 96900 19380 59.882 -33605 6563.2 -40169 -40169 1.6332 2.8127 -0.17757 1.6611e+05 2023-02-20 02:22:34,383 INFO [main.py:643]
{rank 0/100} MD step = 97000 step time: 00:00:00.018247 Performance: 503.819 ns/day 0.048 hours/ns 29.156 steps/s 2023-02-20 02:22:35,973 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 60.258 -33458 6604.4 -40062 -40062 1.6357 2.8147 -0.17747 1.6631e+05 2023-02-20 02:22:37,925 INFO [main.py:643]
{rank 0/100} MD step = 97100 step time: 00:00:00.020940 Performance: 503.802 ns/day 0.048 hours/ns 29.155 steps/s 2023-02-20 02:22:39,142 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 59.56 -33673 6527.9 -40201 -40201 1.6382 2.8164 -0.17628 1.6648e+05 2023-02-20 02:22:41,091 INFO [main.py:643]
{rank 0/100} MD step = 97200 step time: 00:00:00.017881 Performance: 503.842 ns/day 0.048 hours/ns 29.158 steps/s 2023-02-20 02:22:42,419 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 58.833 -33613 6448.2 -40061 -40061 1.6422 2.8189 -0.17478 1.6669e+05 2023-02-20 02:22:44,378 INFO [main.py:643]
{rank 0/100} MD step = 97300 step time: 00:00:00.017979 Performance: 503.863 ns/day 0.048 hours/ns 29.159 steps/s 2023-02-20 02:22:45,715 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 60.491 -33519 6629.9 -40149 -40149 1.6437 2.8205 -0.17582 1.6682e+05 2023-02-20 02:22:47,629 INFO [main.py:643]
{rank 0/100} MD step = 97400 step time: 00:00:00.018146 Performance: 503.890 ns/day 0.048 hours/ns 29.160 steps/s 2023-02-20 02:22:48,994 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 60.408 -33562 6620.8 -40182 -40182 1.6472 2.8212 -0.17571 1.6699e+05 2023-02-20 02:22:50,905 INFO [main.py:643]
{rank 0/100} MD step = 97500 step time: 00:00:00.018063 Performance: 503.913 ns/day 0.048 hours/ns 29.162 steps/s 2023-02-20 02:22:52,327 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 59.228 -33531 6491.4 -40022 -40022 1.6519 2.8233 -0.1762 1.6718e+05 2023-02-20 02:22:54,139 INFO [main.py:643]
{rank 0/100} MD step = 97600 step time: 00:00:00.018232 Performance: 503.943 ns/day 0.048 hours/ns 29.163 steps/s 2023-02-20 02:22:55,692 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 60.613 -33541 6643.3 -40184 -40184 1.6549 2.825 -0.17597 1.6731e+05 2023-02-20 02:22:57,616 INFO [main.py:643]
{rank 0/100} MD step = 97700 step time: 00:00:00.018007 Performance: 503.936 ns/day 0.048 hours/ns 29.163 steps/s 2023-02-20 02:22:59,114 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 60.158 -33549 6593.4 -40142 -40142 1.6579 2.8263 -0.17513 1.6743e+05 2023-02-20 02:23:01,049 INFO [main.py:643]
{rank 0/100} MD step = 97800 step time: 00:00:00.018386 Performance: 503.935 ns/day 0.048 hours/ns 29.163 steps/s 2023-02-20 02:23:07,379 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 97800 19560 59.936 -33656 6569.1 -40225 -40225 1.6629 2.828 -0.17529 1.6762e+05 2023-02-20 02:23:09,219 INFO [main.py:643]
{rank 0/100} MD step = 97900 step time: 00:00:00.017984 Performance: 503.224 ns/day 0.048 hours/ns 29.122 steps/s 2023-02-20 02:23:10,603 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 59.92 -33489 6567.3 -40057 -40057 1.6695 2.8285 -0.17466 1.6781e+05 2023-02-20 02:23:12,406 INFO [main.py:643]
{rank 0/100} MD step = 98000 step time: 00:00:00.018119 Performance: 503.261 ns/day 0.048 hours/ns 29.124 steps/s 2023-02-20 02:23:15,234 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 60.9 -33504 6674.7 -40178 -40178 1.6739 2.8301 -0.17666 1.6795e+05 2023-02-20 02:23:17,088 INFO [main.py:643]
{rank 0/100} MD step = 98100 step time: 00:00:00.017973 Performance: 503.075 ns/day 0.048 hours/ns 29.113 steps/s 2023-02-20 02:23:18,203 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 98100 19620 59.596 -33645 6531.8 -40177 -40177 1.677 2.8337 -0.17591 1.6813e+05 2023-02-20 02:23:20,251 INFO [main.py:643]
{rank 0/100} MD step = 98200 step time: 00:00:00.018258 Performance: 503.115 ns/day 0.048 hours/ns 29.115 steps/s 2023-02-20 02:23:21,630 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 60.207 -33481 6598.8 -40080 -40080 1.6817 2.8359 -0.17746 1.6829e+05 2023-02-20 02:23:23,449 INFO [main.py:643]
{rank 0/100} MD step = 98300 step time: 00:00:00.018426 Performance: 503.151 ns/day 0.048 hours/ns 29.118 steps/s 2023-02-20 02:23:24,854 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 59.476 -33639 6518.6 -40158 -40158 1.6849 2.8364 -0.1759 1.6847e+05 2023-02-20 02:23:26,798 INFO [main.py:643]
{rank 0/100} MD step = 98400 step time: 00:00:00.017951 Performance: 503.163 ns/day 0.048 hours/ns 29.118 steps/s 2023-02-20 02:23:28,634 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 98400 19680 59.893 -33550 6564.4 -40114 -40114 1.6893 2.8383 -0.17516 1.6865e+05 2023-02-20 02:23:30,500 INFO [main.py:643]
{rank 0/100} MD step = 98500 step time: 00:00:00.018480 Performance: 503.123 ns/day 0.048 hours/ns 29.116 steps/s 2023-02-20 02:23:31,307 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 60.276 -33454 6606.3 -40061 -40061 1.6937 2.8401 -0.17452 1.6883e+05 2023-02-20 02:23:33,634 INFO [main.py:643]
{rank 0/100} MD step = 98600 step time: 00:00:00.018344 Performance: 503.168 ns/day 0.048 hours/ns 29.119 steps/s 2023-02-20 02:23:34,861 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 60.061 -33480 6582.7 -40063 -40063 1.6952 2.8409 -0.17479 1.69e+05 2023-02-20 02:23:36,843 INFO [main.py:643]
{rank 0/100} MD step = 98700 step time: 00:00:00.018014 Performance: 503.201 ns/day 0.048 hours/ns 29.120 steps/s 2023-02-20 02:23:38,083 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 60.057 -33494 6582.3 -40076 -40076 1.6989 2.8415 -0.17289 1.6917e+05 2023-02-20 02:23:39,994 INFO [main.py:643]
{rank 0/100} MD step = 98800 step time: 00:00:00.018035 Performance: 503.244 ns/day 0.048 hours/ns 29.123 steps/s 2023-02-20 02:23:41,292 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 98800 19760 60.632 -33437 6645.4 -40083 -40083 1.7027 2.8419 -0.17453 1.6933e+05 2023-02-20 02:23:43,254 INFO [main.py:643]
{rank 0/100} MD step = 98900 step time: 00:00:00.019004 Performance: 503.269 ns/day 0.048 hours/ns 29.124 steps/s 2023-02-20 02:23:44,491 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 98900 19780 59.859 -33659 6560.6 -40219 -40219 1.7068 2.8425 -0.17517 1.6951e+05 2023-02-20 02:23:46,358 INFO [main.py:643]
{rank 0/100} MD step = 99000 step time: 00:00:00.017968 Performance: 503.318 ns/day 0.048 hours/ns 29.127 steps/s 2023-02-20 02:23:47,864 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 99000 19800 60.238 -33445 6602.1 -40047 -40047 1.7106 2.8433 -0.17451 1.697e+05 2023-02-20 02:23:49,762 INFO [main.py:643]
{rank 0/100} MD step = 99100 step time: 00:00:00.018164 Performance: 503.322 ns/day 0.048 hours/ns 29.127 steps/s 2023-02-20 02:23:51,070 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 60.903 -33498 6675.1 -40173 -40173 1.7163 2.8456 -0.17549 1.6984e+05 2023-02-20 02:23:52,892 INFO [main.py:643]
{rank 0/100} MD step = 99200 step time: 00:00:00.018020 Performance: 503.367 ns/day 0.048 hours/ns 29.130 steps/s 2023-02-20 02:23:54,364 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 60.247 -33518 6603.1 -40121 -40121 1.7187 2.8474 -0.17412 1.7e+05 2023-02-20 02:23:56,391 INFO [main.py:643]
{rank 0/100} MD step = 99300 step time: 00:00:00.018137 Performance: 503.357 ns/day 0.048 hours/ns 29.129 steps/s 2023-02-20 02:23:57,944 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 59.447 -33640 6515.5 -40155 -40155 1.7225 2.8482 -0.17508 1.7016e+05 2023-02-20 02:23:59,833 INFO [main.py:643]
{rank 0/100} MD step = 99400 step time: 00:00:00.017921 Performance: 503.356 ns/day 0.048 hours/ns 29.129 steps/s 2023-02-20 02:24:01,048 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 60.681 -33486 6650.7 -40137 -40137 1.7245 2.8486 -0.17412 1.7034e+05 2023-02-20 02:24:02,945 INFO [main.py:643]
{rank 0/100} MD step = 99500 step time: 00:00:00.018613 Performance: 503.403 ns/day 0.048 hours/ns 29.132 steps/s 2023-02-20 02:24:04,262 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 60.967 -33466 6682.1 -40148 -40148 1.7272 2.8508 -0.17317 1.7052e+05 2023-02-20 02:24:06,118 INFO [main.py:643]
{rank 0/100} MD step = 99600 step time: 00:00:00.018154 Performance: 503.442 ns/day 0.048 hours/ns 29.134 steps/s 2023-02-20 02:24:07,496 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 59.935 -33648 6569 -40217 -40217 1.7301 2.8521 -0.17396 1.7068e+05 2023-02-20 02:24:09,379 INFO [main.py:643]
{rank 0/100} MD step = 99700 step time: 00:00:00.018231 Performance: 503.467 ns/day 0.048 hours/ns 29.136 steps/s 2023-02-20 02:24:10,720 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 60.621 -33378 6644.1 -40022 -40022 1.7338 2.8541 -0.17433 1.7085e+05 2023-02-20 02:24:12,626 INFO [main.py:643]
{rank 0/100} MD step = 99800 step time: 00:00:00.018420 Performance: 503.494 ns/day 0.048 hours/ns 29.137 steps/s 2023-02-20 02:24:16,604 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 60.836 -33377 6667.7 -40045 -40045 1.7383 2.8559 -0.17382 1.7104e+05 2023-02-20 02:24:18,729 INFO [main.py:643]
{rank 0/100} MD step = 99900 step time: 00:00:00.018019 Performance: 503.102 ns/day 0.048 hours/ns 29.115 steps/s 2023-02-20 02:24:20,134 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 99900 19980 60.515 -33521 6632.6 -40153 -40153 1.7429 2.8575 -0.17285 1.7115e+05 2023-02-20 02:24:21,971 INFO [main.py:643]
{rank 0/100} MD step = 100000 step time: 00:00:00.017884 Performance: 503.130 ns/day 0.048 hours/ns 29.116 steps/s 2023-02-20 02:24:23,925 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 60.512 -33747 6632.2 -40380 -40380 1.7463 2.8591 -0.17498 1.7132e+05 2023-02-20 02:24:25,764 INFO [main.py:643]
{rank 0/100} MD step = 100100 step time: 00:00:00.017983 Performance: 503.078 ns/day 0.048 hours/ns 29.113 steps/s 2023-02-20 02:24:27,179 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 60.837 -33526 6667.8 -40194 -40194 1.7487 2.8627 -0.1759 1.7149e+05 2023-02-20 02:24:29,025 INFO [main.py:643]
{rank 0/100} MD step = 100200 step time: 00:00:00.018095 Performance: 503.103 ns/day 0.048 hours/ns 29.115 steps/s 2023-02-20 02:24:30,315 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 100200 20040 59.92 -33575 6567.3 -40143 -40143 1.7547 2.8646 -0.17513 1.7169e+05 2023-02-20 02:24:32,215 INFO [main.py:643]
{rank 0/100} MD step = 100300 step time: 00:00:00.018237 Performance: 503.139 ns/day 0.048 hours/ns 29.117 steps/s 2023-02-20 02:24:33,727 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 59.321 -33771 6501.7 -40273 -40273 1.7578 2.8643 -0.17551 1.7183e+05 2023-02-20 02:24:35,580 INFO [main.py:643]
{rank 0/100} MD step = 100400 step time: 00:00:00.018293 Performance: 503.149 ns/day 0.048 hours/ns 29.117 steps/s 2023-02-20 02:24:39,176 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 100400 20080 59.367 -33554 6506.6 -40061 -40061 1.7625 2.866 -0.17527 1.7206e+05 2023-02-20 02:24:41,030 INFO [main.py:643]
{rank 0/100} MD step = 100500 step time: 00:00:00.018159 Performance: 502.856 ns/day 0.048 hours/ns 29.100 steps/s 2023-02-20 02:24:42,020 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 59.891 -33561 6564.1 -40125 -40125 1.7672 2.8691 -0.17584 1.7221e+05 2023-02-20 02:24:44,473 INFO [main.py:643]
{rank 0/100} MD step = 100600 step time: 00:00:00.018324 Performance: 502.855 ns/day 0.048 hours/ns 29.100 steps/s 2023-02-20 02:24:45,890 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 59.973 -33585 6573.1 -40158 -40158 1.7698 2.8703 -0.17532 1.7238e+05 2023-02-20 02:24:47,739 INFO [main.py:643]
{rank 0/100} MD step = 100700 step time: 00:00:00.018154 Performance: 502.879 ns/day 0.048 hours/ns 29.102 steps/s 2023-02-20 02:24:49,102 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 60.288 -33561 6607.6 -40169 -40169 1.7719 2.8721 -0.17521 1.7252e+05 2023-02-20 02:24:50,925 INFO [main.py:643]
{rank 0/100} MD step = 100800 step time: 00:00:00.020363 Performance: 502.916 ns/day 0.048 hours/ns 29.104 steps/s 2023-02-20 02:24:52,239 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 59.252 -33523 6494.1 -40017 -40017 1.7778 2.8757 -0.17458 1.727e+05 2023-02-20 02:24:54,148 INFO [main.py:643]
{rank 0/100} MD step = 100900 step time: 00:00:00.018185 Performance: 502.946 ns/day 0.048 hours/ns 29.106 steps/s 2023-02-20 02:24:55,428 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 60.551 -33375 6636.5 -40011 -40011 1.7827 2.8771 -0.17453 1.7289e+05 2023-02-20 02:24:57,397 INFO [main.py:643]
{rank 0/100} MD step = 101000 step time: 00:00:00.017958 Performance: 502.974 ns/day 0.048 hours/ns 29.107 steps/s 2023-02-20 02:24:59,027 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 60.138 -33539 6591.2 -40131 -40131 1.7866 2.8791 -0.17378 1.7304e+05 2023-02-20 02:25:00,942 INFO [main.py:643]
{rank 0/100} MD step = 101100 step time: 00:00:00.018204 Performance: 502.958 ns/day 0.048 hours/ns 29.106 steps/s 2023-02-20 02:25:02,768 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 59.796 -33602 6553.7 -40156 -40156 1.7898 2.8816 -0.17374 1.7322e+05 2023-02-20 02:25:04,650 INFO [main.py:643]
{rank 0/100} MD step = 101200 step time: 00:00:00.018087 Performance: 502.918 ns/day 0.048 hours/ns 29.104 steps/s 2023-02-20 02:25:06,106 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 60.163 -33512 6593.9 -40106 -40106 1.796 2.8843 -0.17316 1.7339e+05 2023-02-20 02:25:08,539 INFO [main.py:643]
{rank 0/100} MD step = 101300 step time: 00:00:00.018005 Performance: 502.853 ns/day 0.048 hours/ns 29.100 steps/s 2023-02-20 02:25:10,080 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 59.389 -33389 6509.1 -39898 -39898 1.8 2.8852 -0.17363 1.7361e+05 2023-02-20 02:25:11,988 INFO [main.py:643]
{rank 0/100} MD step = 101400 step time: 00:00:00.017826 Performance: 502.851 ns/day 0.048 hours/ns 29.100 steps/s 2023-02-20 02:25:13,378 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 59.802 -33538 6554.4 -40092 -40092 1.8038 2.8883 -0.17372 1.7375e+05 2023-02-20 02:25:15,269 INFO [main.py:643]
{rank 0/100} MD step = 101500 step time: 00:00:00.017921 Performance: 502.873 ns/day 0.048 hours/ns 29.101 steps/s 2023-02-20 02:25:16,662 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 60.06 -33575 6582.7 -40158 -40158 1.8097 2.8914 -0.17419 1.7392e+05 2023-02-20 02:25:18,580 INFO [main.py:643]
{rank 0/100} MD step = 101600 step time: 00:00:00.018277 Performance: 502.892 ns/day 0.048 hours/ns 29.103 steps/s 2023-02-20 02:25:19,961 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 60.43 -33583 6623.2 -40206 -40206 1.8147 2.893 -0.17412 1.7406e+05 2023-02-20 02:25:21,779 INFO [main.py:643]
{rank 0/100} MD step = 101700 step time: 00:00:00.018200 Performance: 502.926 ns/day 0.048 hours/ns 29.104 steps/s 2023-02-20 02:25:23,305 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 59.9 -33484 6565.1 -40050 -40050 1.8217 2.8946 -0.17481 1.7426e+05 2023-02-20 02:25:25,226 INFO [main.py:643]
{rank 0/100} MD step = 101800 step time: 00:00:00.017962 Performance: 502.924 ns/day 0.048 hours/ns 29.104 steps/s 2023-02-20 02:25:26,569 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 60.428 -33539 6623 -40162 -40162 1.8239 2.8965 -0.17437 1.7442e+05 2023-02-20 02:25:28,438 INFO [main.py:643]
{rank 0/100} MD step = 101900 step time: 00:00:00.017930 Performance: 502.956 ns/day 0.048 hours/ns 29.106 steps/s 2023-02-20 02:25:29,694 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 60.428 -33459 6622.9 -40082 -40082 1.8278 2.898 -0.17539 1.7462e+05 2023-02-20 02:25:31,607 INFO [main.py:643]
{rank 0/100} MD step = 102000 step time: 00:00:00.017982 Performance: 502.995 ns/day 0.048 hours/ns 29.108 steps/s 2023-02-20 02:25:32,996 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 59.42 -33658 6512.5 -40170 -40170 1.8326 2.8999 -0.17715 1.7478e+05 2023-02-20 02:25:34,898 INFO [main.py:643]
{rank 0/100} MD step = 102100 step time: 00:00:00.018166 Performance: 503.015 ns/day 0.048 hours/ns 29.110 steps/s 2023-02-20 02:25:36,245 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 60.548 -33627 6636.1 -40263 -40263 1.8355 2.9035 -0.17746 1.7493e+05 2023-02-20 02:25:38,143 INFO [main.py:643]
{rank 0/100} MD step = 102200 step time: 00:00:00.017844 Performance: 503.043 ns/day 0.048 hours/ns 29.111 steps/s 2023-02-20 02:25:39,708 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 60.226 -33486 6600.8 -40087 -40087 1.8387 2.9069 -0.17729 1.7512e+05 2023-02-20 02:25:41,598 INFO [main.py:643]
{rank 0/100} MD step = 102300 step time: 00:00:00.018869 Performance: 503.040 ns/day 0.048 hours/ns 29.111 steps/s 2023-02-20 02:25:42,791 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 102300 20460 60.253 -33528 6603.8 -40132 -40132 1.843 2.9083 -0.17971 1.7529e+05 2023-02-20 02:25:44,749 INFO [main.py:643]
{rank 0/100} MD step = 102400 step time: 00:00:00.018110 Performance: 503.080 ns/day 0.048 hours/ns 29.113 steps/s 2023-02-20 02:25:46,076 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 60.357 -33509 6615.2 -40124 -40124 1.8492 2.9114 -0.1806 1.7545e+05 2023-02-20 02:25:48,020 INFO [main.py:643]
{rank 0/100} MD step = 102500 step time: 00:00:00.019044 Performance: 503.104 ns/day 0.048 hours/ns 29.115 steps/s 2023-02-20 02:25:49,223 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 60.391 -33435 6618.9 -40054 -40054 1.8533 2.9123 -0.18195 1.7563e+05 2023-02-20 02:25:51,173 INFO [main.py:643]
{rank 0/100} MD step = 102600 step time: 00:00:00.017814 Performance: 503.144 ns/day 0.048 hours/ns 29.117 steps/s 2023-02-20 02:25:53,485 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 59.879 -33530 6562.8 -40093 -40093 1.8573 2.9134 -0.18123 1.758e+05 2023-02-20 02:25:55,328 INFO [main.py:643]
{rank 0/100} MD step = 102700 step time: 00:00:00.018038 Performance: 503.041 ns/day 0.048 hours/ns 29.111 steps/s 2023-02-20 02:25:56,790 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 60.661 -33430 6648.6 -40078 -40078 1.861 2.9162 -0.18051 1.7601e+05 2023-02-20 02:25:58,622 INFO [main.py:643]
{rank 0/100} MD step = 102800 step time: 00:00:00.017948 Performance: 503.061 ns/day 0.048 hours/ns 29.112 steps/s 2023-02-20 02:26:00,461 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 60.258 -33519 6604.4 -40123 -40123 1.8659 2.9191 -0.1816 1.7616e+05 2023-02-20 02:26:02,325 INFO [main.py:643]
{rank 0/100} MD step = 102900 step time: 00:00:00.018613 Performance: 503.023 ns/day 0.048 hours/ns 29.110 steps/s 2023-02-20 02:26:03,757 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 59.286 -33557 6497.8 -40055 -40055 1.8719 2.9189 -0.18226 1.7633e+05 2023-02-20 02:26:06,099 INFO [main.py:643]
{rank 0/100} MD step = 103000 step time: 00:00:00.018165 Performance: 502.975 ns/day 0.048 hours/ns 29.107 steps/s 2023-02-20 02:26:07,348 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 59.631 -33652 6535.6 -40188 -40188 1.8737 2.9198 -0.18123 1.7645e+05 2023-02-20 02:26:09,269 INFO [main.py:643]
{rank 0/100} MD step = 103100 step time: 00:00:00.017973 Performance: 503.013 ns/day 0.048 hours/ns 29.110 steps/s 2023-02-20 02:26:10,552 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 103100 20620 61.02 -33319 6687.9 -40006 -40006 1.8784 2.9209 -0.18124 1.7664e+05 2023-02-20 02:26:12,563 INFO [main.py:643]
{rank 0/100} MD step = 103200 step time: 00:00:00.018221 Performance: 503.033 ns/day 0.048 hours/ns 29.111 steps/s 2023-02-20 02:26:13,997 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 60.332 -33441 6612.5 -40053 -40053 1.8835 2.9234 -0.18131 1.7678e+05 2023-02-20 02:26:15,862 INFO [main.py:643]
{rank 0/100} MD step = 103300 step time: 00:00:00.019049 Performance: 503.052 ns/day 0.048 hours/ns 29.112 steps/s 2023-02-20 02:26:16,719 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 60.363 -33630 6615.9 -40245 -40245 1.8869 2.9243 -0.18195 1.7694e+05 2023-02-20 02:26:19,120 INFO [main.py:643]
{rank 0/100} MD step = 103400 step time: 00:00:00.018014 Performance: 503.077 ns/day 0.048 hours/ns 29.113 steps/s 2023-02-20 02:26:20,707 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 60.252 -33471 6603.7 -40075 -40075 1.8904 2.9273 -0.18083 1.7714e+05 2023-02-20 02:26:22,688 INFO [main.py:643]
{rank 0/100} MD step = 103500 step time: 00:00:00.017948 Performance: 503.058 ns/day 0.048 hours/ns 29.112 steps/s 2023-02-20 02:26:24,017 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 59.674 -33683 6540.3 -40223 -40223 1.8942 2.93 -0.18192 1.7729e+05 2023-02-20 02:26:25,925 INFO [main.py:643]
{rank 0/100} MD step = 103600 step time: 00:00:00.018308 Performance: 503.086 ns/day 0.048 hours/ns 29.114 steps/s 2023-02-20 02:26:26,732 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 60.199 -33329 6597.9 -39927 -39927 1.8981 2.9308 -0.18022 1.7748e+05 2023-02-20 02:26:29,220 INFO [main.py:643]
{rank 0/100} MD step = 103700 step time: 00:00:00.018215 Performance: 503.106 ns/day 0.048 hours/ns 29.115 steps/s 2023-02-20 02:26:30,489 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 103700 20740 58.735 -33607 6437.4 -40045 -40045 1.9033 2.9309 -0.18007 1.7762e+05 2023-02-20 02:26:32,392 INFO [main.py:643]
{rank 0/100} MD step = 103800 step time: 00:00:00.018301 Performance: 503.143 ns/day 0.048 hours/ns 29.117 steps/s 2023-02-20 02:26:33,906 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 59.973 -33487 6573.2 -40060 -40060 1.9073 2.9321 -0.17938 1.7784e+05 2023-02-20 02:26:35,918 INFO [main.py:643]
{rank 0/100} MD step = 103900 step time: 00:00:00.017944 Performance: 503.130 ns/day 0.048 hours/ns 29.116 steps/s 2023-02-20 02:26:37,209 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 59.513 -33672 6522.7 -40195 -40195 1.9153 2.9327 -0.17777 1.7797e+05 2023-02-20 02:26:39,104 INFO [main.py:643]
{rank 0/100} MD step = 104000 step time: 00:00:00.018087 Performance: 503.165 ns/day 0.048 hours/ns 29.118 steps/s 2023-02-20 02:26:40,381 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 59.531 -33553 6524.7 -40078 -40078 1.9193 2.9341 -0.17754 1.7816e+05 2023-02-20 02:26:42,286 INFO [main.py:643]
{rank 0/100} MD step = 104100 step time: 00:00:00.018013 Performance: 503.201 ns/day 0.048 hours/ns 29.120 steps/s 2023-02-20 02:26:44,304 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 60.265 -33438 6605.2 -40043 -40043 1.9247 2.9359 -0.17845 1.7832e+05 2023-02-20 02:26:46,154 INFO [main.py:643]
{rank 0/100} MD step = 104200 step time: 00:00:00.017839 Performance: 503.140 ns/day 0.048 hours/ns 29.117 steps/s 2023-02-20 02:26:47,463 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 60.153 -33588 6592.8 -40181 -40181 1.9282 2.9381 -0.17805 1.7847e+05 2023-02-20 02:26:49,413 INFO [main.py:643]
{rank 0/100} MD step = 104300 step time: 00:00:00.017892 Performance: 503.164 ns/day 0.048 hours/ns 29.118 steps/s 2023-02-20 02:26:50,848 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 59.998 -33516 6575.8 -40092 -40092 1.9311 2.9404 -0.1778 1.7864e+05 2023-02-20 02:26:52,649 INFO [main.py:643]
{rank 0/100} MD step = 104400 step time: 00:00:00.018225 Performance: 503.192 ns/day 0.048 hours/ns 29.120 steps/s 2023-02-20 02:26:53,974 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 59.85 -33604 6559.7 -40164 -40164 1.934 2.9419 -0.17579 1.7881e+05 2023-02-20 02:26:55,917 INFO [main.py:643]
{rank 0/100} MD step = 104500 step time: 00:00:00.018001 Performance: 503.215 ns/day 0.048 hours/ns 29.121 steps/s 2023-02-20 02:26:57,250 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 59.509 -33483 6522.2 -40005 -40005 1.9369 2.9432 -0.175 1.7901e+05 2023-02-20 02:26:59,129 INFO [main.py:643]
{rank 0/100} MD step = 104600 step time: 00:00:00.018024 Performance: 503.247 ns/day 0.048 hours/ns 29.123 steps/s 2023-02-20 02:27:01,535 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 60.17 -33425 6594.8 -40020 -40020 1.9414 2.944 -0.175 1.792e+05 2023-02-20 02:27:03,570 INFO [main.py:643]
{rank 0/100} MD step = 104700 step time: 00:00:00.018889 Performance: 503.106 ns/day 0.048 hours/ns 29.115 steps/s 2023-02-20 02:27:19,939 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 59.882 -33600 6563.2 -40163 -40163 1.9441 2.9472 -0.17313 1.7933e+05 2023-02-20 02:27:21,977 INFO [main.py:643]
{rank 0/100} MD step = 104800 step time: 00:00:00.018140 Performance: 501.021 ns/day 0.048 hours/ns 28.994 steps/s 2023-02-20 02:27:25,812 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 60.703 -33418 6653.1 -40071 -40071 1.9464 2.9479 -0.17391 1.795e+05 2023-02-20 02:27:27,788 INFO [main.py:643]
{rank 0/100} MD step = 104900 step time: 00:00:00.017928 Performance: 500.695 ns/day 0.048 hours/ns 28.975 steps/s 2023-02-20 02:27:31,552 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 104900 20980 60.497 -33469 6630.6 -40100 -40100 1.9498 2.9493 -0.17451 1.7968e+05 2023-02-20 02:27:33,411 INFO [main.py:643]
{rank 0/100} MD step = 105000 step time: 00:00:00.018177 Performance: 500.395 ns/day 0.048 hours/ns 28.958 steps/s 2023-02-20 02:27:36,152 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 105000 21000 59.613 -33714 6533.7 -40247 -40247 1.9537 2.9515 -0.17276 1.7981e+05 2023-02-20 02:27:38,076 INFO [main.py:643]
{rank 0/100} MD step = 105100 step time: 00:00:00.018072 Performance: 500.228 ns/day 0.048 hours/ns 28.948 steps/s 2023-02-20 02:27:43,269 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 59.588 -33684 6530.9 -40215 -40215 1.9583 2.9526 -0.17275 1.7998e+05 2023-02-20 02:27:45,137 INFO [main.py:643]
{rank 0/100} MD step = 105200 step time: 00:00:00.017936 Performance: 499.732 ns/day 0.048 hours/ns 28.920 steps/s 2023-02-20 02:27:46,505 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 105200 21040 60.355 -33634 6615 -40249 -40249 1.9606 2.9538 -0.17264 1.8015e+05 2023-02-20 02:27:48,445 INFO [main.py:643]
{rank 0/100} MD step = 105300 step time: 00:00:00.018211 Performance: 499.752 ns/day 0.048 hours/ns 28.921 steps/s 2023-02-20 02:27:49,796 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 105300 21060 60.111 -33515 6588.2 -40103 -40103 1.9658 2.9553 -0.17075 1.8035e+05 2023-02-20 02:27:51,699 INFO [main.py:643]
{rank 0/100} MD step = 105400 step time: 00:00:00.017964 Performance: 499.780 ns/day 0.048 hours/ns 28.922 steps/s 2023-02-20 02:27:57,043 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 58.929 -33685 6458.7 -40144 -40144 1.9687 2.9575 -0.17029 1.8053e+05 2023-02-20 02:27:58,969 INFO [main.py:643]
{rank 0/100} MD step = 105500 step time: 00:00:00.018016 Performance: 499.258 ns/day 0.048 hours/ns 28.892 steps/s 2023-02-20 02:28:00,371 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 59.375 -33492 6507.5 -39999 -39999 1.9708 2.9584 -0.16709 1.807e+05 2023-02-20 02:28:02,176 INFO [main.py:643]
{rank 0/100} MD step = 105600 step time: 00:00:00.017927 Performance: 499.293 ns/day 0.048 hours/ns 28.894 steps/s 2023-02-20 02:28:03,492 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 59.687 -33574 6541.8 -40115 -40115 1.9731 2.9593 -0.16673 1.8088e+05 2023-02-20 02:28:05,386 INFO [main.py:643]
{rank 0/100} MD step = 105700 step time: 00:00:00.018034 Performance: 499.327 ns/day 0.048 hours/ns 28.896 steps/s 2023-02-20 02:28:06,618 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 59.36 -33517 6505.9 -40023 -40023 1.9756 2.9605 -0.16744 1.8108e+05 2023-02-20 02:28:08,562 INFO [main.py:643]
{rank 0/100} MD step = 105800 step time: 00:00:00.018076 Performance: 499.366 ns/day 0.048 hours/ns 28.899 steps/s 2023-02-20 02:28:09,389 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 59.852 -33456 6559.8 -40016 -40016 1.9793 2.963 -0.16673 1.8126e+05 2023-02-20 02:28:11,760 INFO [main.py:643]
{rank 0/100} MD step = 105900 step time: 00:00:00.018777 Performance: 499.402 ns/day 0.048 hours/ns 28.901 steps/s 2023-02-20 02:28:13,048 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 59.68 -33526 6541 -40067 -40067 1.9811 2.9649 -0.1669 1.8141e+05 2023-02-20 02:28:14,973 INFO [main.py:643]
{rank 0/100} MD step = 106000 step time: 00:00:00.018241 Performance: 499.436 ns/day 0.048 hours/ns 28.903 steps/s 2023-02-20 02:28:16,322 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 60.353 -33477 6614.7 -40091 -40091 1.9836 2.9662 -0.16489 1.8159e+05 2023-02-20 02:28:18,206 INFO [main.py:643]
{rank 0/100} MD step = 106100 step time: 00:00:00.018570 Performance: 499.467 ns/day 0.048 hours/ns 28.904 steps/s 2023-02-20 02:28:19,040 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 59.057 -33638 6472.8 -40111 -40111 1.9857 2.9682 -0.16376 1.8172e+05 2023-02-20 02:28:21,406 INFO [main.py:643]
{rank 0/100} MD step = 106200 step time: 00:00:00.018013 Performance: 499.502 ns/day 0.048 hours/ns 28.906 steps/s 2023-02-20 02:28:22,614 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 60.268 -33448 6605.5 -40054 -40054 1.9872 2.9686 -0.16481 1.8189e+05 2023-02-20 02:28:24,592 INFO [main.py:643]
{rank 0/100} MD step = 106300 step time: 00:00:00.018070 Performance: 499.539 ns/day 0.048 hours/ns 28.909 steps/s 2023-02-20 02:28:25,770 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 59.935 -33451 6569 -40020 -40020 1.9916 2.9718 -0.16534 1.821e+05 2023-02-20 02:28:27,606 INFO [main.py:643]
{rank 0/100} MD step = 106400 step time: 00:00:00.018218 Performance: 499.599 ns/day 0.048 hours/ns 28.912 steps/s 2023-02-20 02:28:29,018 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 60.121 -33544 6589.4 -40133 -40133 1.9958 2.9723 -0.16591 1.8225e+05 2023-02-20 02:28:30,829 INFO [main.py:643]
{rank 0/100} MD step = 106500 step time: 00:00:00.018027 Performance: 499.631 ns/day 0.048 hours/ns 28.914 steps/s 2023-02-20 02:28:32,236 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 60.552 -33396 6636.6 -40032 -40032 2.001 2.9748 -0.16557 1.8245e+05 2023-02-20 02:28:34,224 INFO [main.py:643]
{rank 0/100} MD step = 106600 step time: 00:00:00.018049 Performance: 499.640 ns/day 0.048 hours/ns 28.914 steps/s 2023-02-20 02:28:35,570 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 60.067 -33594 6583.4 -40178 -40178 2.0041 2.9765 -0.1642 1.8263e+05 2023-02-20 02:28:37,513 INFO [main.py:643]
{rank 0/100} MD step = 106700 step time: 00:00:00.019665 Performance: 499.663 ns/day 0.048 hours/ns 28.916 steps/s 2023-02-20 02:28:38,781 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 60.138 -33565 6591.1 -40156 -40156 2.0065 2.9773 -0.16494 1.8279e+05 2023-02-20 02:28:40,676 INFO [main.py:643]
{rank 0/100} MD step = 106800 step time: 00:00:00.018052 Performance: 499.703 ns/day 0.048 hours/ns 28.918 steps/s 2023-02-20 02:28:41,850 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 59.856 -33678 6560.3 -40238 -40238 2.0087 2.9787 -0.1654 1.8296e+05 2023-02-20 02:28:43,795 INFO [main.py:643]
{rank 0/100} MD step = 106900 step time: 00:00:00.017899 Performance: 499.749 ns/day 0.048 hours/ns 28.921 steps/s 2023-02-20 02:28:44,923 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 60.218 -33492 6599.9 -40092 -40092 2.0128 2.9794 -0.16419 1.8315e+05 2023-02-20 02:28:46,890 INFO [main.py:643]
{rank 0/100} MD step = 107000 step time: 00:00:00.018175 Performance: 499.798 ns/day 0.048 hours/ns 28.923 steps/s 2023-02-20 02:28:48,194 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 60.344 -33469 6613.8 -40083 -40083 2.0167 2.9801 -0.16409 1.8332e+05 2023-02-20 02:28:50,029 INFO [main.py:643]
{rank 0/100} MD step = 107100 step time: 00:00:00.017985 Performance: 499.841 ns/day 0.048 hours/ns 28.926 steps/s 2023-02-20 02:28:51,183 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 60.226 -33492 6600.8 -40093 -40093 2.0202 2.9805 -0.16489 1.8349e+05 2023-02-20 02:28:53,175 INFO [main.py:643]
{rank 0/100} MD step = 107200 step time: 00:00:00.017940 Performance: 499.883 ns/day 0.048 hours/ns 28.928 steps/s 2023-02-20 02:28:54,532 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 60.325 -33528 6611.7 -40140 -40140 2.0229 2.9816 -0.16436 1.8367e+05 2023-02-20 02:28:56,424 INFO [main.py:643]
{rank 0/100} MD step = 107300 step time: 00:00:00.018062 Performance: 499.911 ns/day 0.048 hours/ns 28.930 steps/s 2023-02-20 02:28:57,692 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 59.63 -33613 6535.6 -40148 -40148 2.027 2.9819 -0.1656 1.8386e+05 2023-02-20 02:28:59,553 INFO [main.py:643]
{rank 0/100} MD step = 107400 step time: 00:00:00.017934 Performance: 499.955 ns/day 0.048 hours/ns 28.933 steps/s 2023-02-20 02:29:00,862 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 107400 21480 60.263 -33547 6604.9 -40152 -40152 2.0288 2.9836 -0.16704 1.8403e+05 2023-02-20 02:29:02,743 INFO [main.py:643]
{rank 0/100} MD step = 107500 step time: 00:00:00.018227 Performance: 499.991 ns/day 0.048 hours/ns 28.935 steps/s 2023-02-20 02:29:04,001 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 60.184 -33604 6596.3 -40201 -40201 2.0313 2.9858 -0.16772 1.8419e+05 2023-02-20 02:29:05,885 INFO [main.py:643]
{rank 0/100} MD step = 107600 step time: 00:00:00.018189 Performance: 500.033 ns/day 0.048 hours/ns 28.937 steps/s 2023-02-20 02:29:07,139 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 107600 21520 58.834 -33752 6448.3 -40200 -40200 2.0371 2.9889 -0.16748 1.8436e+05 2023-02-20 02:29:09,055 INFO [main.py:643]
{rank 0/100} MD step = 107700 step time: 00:00:00.018203 Performance: 500.071 ns/day 0.048 hours/ns 28.939 steps/s 2023-02-20 02:29:10,292 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 60.381 -33536 6617.9 -40154 -40154 2.0411 2.9914 -0.16621 1.8455e+05 2023-02-20 02:29:12,190 INFO [main.py:643]
{rank 0/100} MD step = 107800 step time: 00:00:00.018578 Performance: 500.114 ns/day 0.048 hours/ns 28.942 steps/s 2023-02-20 02:29:13,482 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 60.323 -33596 6611.4 -40208 -40208 2.0445 2.9937 -0.16603 1.8472e+05 2023-02-20 02:29:15,335 INFO [main.py:643]
{rank 0/100} MD step = 107900 step time: 00:00:00.018325 Performance: 500.156 ns/day 0.048 hours/ns 28.944 steps/s 2023-02-20 02:29:16,637 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 59.544 -33519 6526.1 -40045 -40045 2.0482 2.9961 -0.16633 1.8492e+05 2023-02-20 02:29:18,478 INFO [main.py:643]
{rank 0/100} MD step = 108000 step time: 00:00:00.019804 Performance: 500.198 ns/day 0.048 hours/ns 28.947 steps/s 2023-02-20 02:29:19,737 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 59.901 -33687 6565.3 -40252 -40252 2.0493 2.9981 -0.16862 1.8507e+05 2023-02-20 02:29:21,715 INFO [main.py:643]
{rank 0/100} MD step = 108100 step time: 00:00:00.018975 Performance: 500.227 ns/day 0.048 hours/ns 28.948 steps/s 2023-02-20 02:29:23,120 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 60.352 -33501 6614.7 -40115 -40115 2.0521 2.9979 -0.16932 1.8525e+05 2023-02-20 02:29:24,924 INFO [main.py:643]
{rank 0/100} MD step = 108200 step time: 00:00:00.017976 Performance: 500.260 ns/day 0.048 hours/ns 28.950 steps/s 2023-02-20 02:29:30,363 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 108200 21640 58.565 -33661 6418.8 -40079 -40079 2.0573 2.9994 -0.16875 1.8541e+05 2023-02-20 02:29:32,276 INFO [main.py:643]
{rank 0/100} MD step = 108300 step time: 00:00:00.017926 Performance: 499.739 ns/day 0.048 hours/ns 28.920 steps/s 2023-02-20 02:29:33,498 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 60.024 -33552 6578.7 -40131 -40131 2.06 3.0003 -0.1677 1.8557e+05 2023-02-20 02:29:35,500 INFO [main.py:643]
{rank 0/100} MD step = 108400 step time: 00:00:00.018271 Performance: 499.770 ns/day 0.048 hours/ns 28.922 steps/s 2023-02-20 02:29:45,889 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 60.748 -33396 6658.1 -40054 -40054 2.0626 3.0011 -0.16727 1.8574e+05 2023-02-20 02:29:47,750 INFO [main.py:643]
{rank 0/100} MD step = 108500 step time: 00:00:00.018162 Performance: 498.602 ns/day 0.048 hours/ns 28.854 steps/s 2023-02-20 02:29:49,151 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 60.407 -33578 6620.7 -40199 -40199 2.0673 3.0044 -0.16793 1.8588e+05 2023-02-20 02:29:51,042 INFO [main.py:643]
{rank 0/100} MD step = 108600 step time: 00:00:00.018227 Performance: 498.625 ns/day 0.048 hours/ns 28.856 steps/s 2023-02-20 02:29:56,665 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 59.505 -33709 6521.8 -40231 -40231 2.0688 3.0063 -0.16936 1.8603e+05 2023-02-20 02:29:58,610 INFO [main.py:643]
{rank 0/100} MD step = 108700 step time: 00:00:00.018093 Performance: 498.082 ns/day 0.048 hours/ns 28.824 steps/s 2023-02-20 02:30:06,449 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 59.932 -33493 6568.6 -40062 -40062 2.0734 3.0068 -0.1675 1.8623e+05 2023-02-20 02:30:08,340 INFO [main.py:643]
{rank 0/100} MD step = 108800 step time: 00:00:00.018082 Performance: 497.258 ns/day 0.048 hours/ns 28.776 steps/s 2023-02-20 02:30:09,915 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 59.759 -33661 6549.6 -40210 -40210 2.0779 3.0087 -0.16782 1.8636e+05 2023-02-20 02:30:11,914 INFO [main.py:643]
{rank 0/100} MD step = 108900 step time: 00:00:00.022758 Performance: 497.245 ns/day 0.048 hours/ns 28.776 steps/s 2023-02-20 02:30:12,761 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 60.537 -33425 6634.9 -40060 -40060 2.0816 3.0122 -0.16793 1.8656e+05 2023-02-20 02:30:15,084 INFO [main.py:643]
{rank 0/100} MD step = 109000 step time: 00:00:00.017962 Performance: 497.285 ns/day 0.048 hours/ns 28.778 steps/s 2023-02-20 02:30:16,593 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 60.08 -33509 6584.8 -40094 -40094 2.0841 3.0145 -0.16905 1.8675e+05 2023-02-20 02:30:18,418 INFO [main.py:643]
{rank 0/100} MD step = 109100 step time: 00:00:00.018326 Performance: 497.303 ns/day 0.048 hours/ns 28.779 steps/s 2023-02-20 02:30:19,697 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 59.003 -33723 6466.7 -40190 -40190 2.0859 3.0163 -0.16986 1.8689e+05 2023-02-20 02:30:21,558 INFO [main.py:643]
{rank 0/100} MD step = 109200 step time: 00:00:00.018050 Performance: 497.347 ns/day 0.048 hours/ns 28.782 steps/s 2023-02-20 02:30:22,853 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 109200 21840 59.851 -33519 6559.8 -40079 -40079 2.0904 3.0199 -0.17073 1.8708e+05 2023-02-20 02:30:24,768 INFO [main.py:643]
{rank 0/100} MD step = 109300 step time: 00:00:00.017974 Performance: 497.381 ns/day 0.048 hours/ns 28.784 steps/s 2023-02-20 02:30:26,104 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 59.988 -33536 6574.8 -40110 -40110 2.0932 3.0204 -0.17338 1.8725e+05 2023-02-20 02:30:27,971 INFO [main.py:643]
{rank 0/100} MD step = 109400 step time: 00:00:00.020698 Performance: 497.417 ns/day 0.048 hours/ns 28.786 steps/s 2023-02-20 02:30:29,517 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 59.89 -33551 6564 -40115 -40115 2.0947 3.0222 -0.17319 1.8743e+05 2023-02-20 02:30:31,635 INFO [main.py:643]
{rank 0/100} MD step = 109500 step time: 00:00:00.018152 Performance: 497.392 ns/day 0.048 hours/ns 28.784 steps/s 2023-02-20 02:30:33,238 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 109500 21900 59.349 -33546 6504.7 -40051 -40051 2.0967 3.0237 -0.17342 1.876e+05 2023-02-20 02:30:35,152 INFO [main.py:643]
{rank 0/100} MD step = 109600 step time: 00:00:00.018177 Performance: 497.387 ns/day 0.048 hours/ns 28.784 steps/s 2023-02-20 02:30:37,253 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 59.969 -33522 6572.7 -40095 -40095 2.0983 3.0259 -0.17306 1.8778e+05 2023-02-20 02:30:39,114 INFO [main.py:643]
{rank 0/100} MD step = 109700 step time: 00:00:00.017946 Performance: 497.323 ns/day 0.048 hours/ns 28.780 steps/s 2023-02-20 02:30:40,370 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 59.582 -33632 6530.3 -40162 -40162 2.1024 3.0278 -0.17411 1.8795e+05 2023-02-20 02:30:42,363 INFO [main.py:643]
{rank 0/100} MD step = 109800 step time: 00:00:00.018321 Performance: 497.352 ns/day 0.048 hours/ns 28.782 steps/s 2023-02-20 02:30:43,842 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 60.219 -33469 6600.1 -40069 -40069 2.1046 3.0278 -0.17384 1.8814e+05 2023-02-20 02:30:45,703 INFO [main.py:643]
{rank 0/100} MD step = 109900 step time: 00:00:00.018052 Performance: 497.370 ns/day 0.048 hours/ns 28.783 steps/s 2023-02-20 02:30:47,011 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 59.545 -33580 6526.2 -40107 -40107 2.1035 3.0301 -0.1738 1.883e+05 2023-02-20 02:30:49,011 INFO [main.py:643]
{rank 0/100} MD step = 110000 step time: 00:00:00.018006 Performance: 497.391 ns/day 0.048 hours/ns 28.784 steps/s 2023-02-20 02:30:49,886 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 59.262 -33574 6495.2 -40069 -40069 2.107 3.0301 -0.17339 1.8846e+05 2023-02-20 02:30:52,180 INFO [main.py:643]
{rank 0/100} MD step = 110100 step time: 00:00:00.018422 Performance: 497.431 ns/day 0.048 hours/ns 28.787 steps/s 2023-02-20 02:30:53,496 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 59.93 -33564 6568.4 -40132 -40132 2.1118 3.0309 -0.17271 1.8864e+05 2023-02-20 02:30:55,298 INFO [main.py:643]
{rank 0/100} MD step = 110200 step time: 00:00:00.018046 Performance: 497.477 ns/day 0.048 hours/ns 28.789 steps/s 2023-02-20 02:30:56,880 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 60.903 -33573 6675.1 -40248 -40248 2.1149 3.0314 -0.17431 1.8875e+05 2023-02-20 02:30:58,745 INFO [main.py:643]
{rank 0/100} MD step = 110300 step time: 00:00:00.018106 Performance: 497.481 ns/day 0.048 hours/ns 28.789 steps/s 2023-02-20 02:30:59,592 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 59.001 -33686 6466.6 -40152 -40152 2.117 3.0338 -0.17318 1.8891e+05 2023-02-20 02:31:01,883 INFO [main.py:643]
{rank 0/100} MD step = 110400 step time: 00:00:00.017952 Performance: 497.524 ns/day 0.048 hours/ns 28.792 steps/s 2023-02-20 02:31:03,182 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 59.822 -33485 6556.5 -40041 -40041 2.1199 3.0356 -0.17214 1.8912e+05 2023-02-20 02:31:05,026 INFO [main.py:643]
{rank 0/100} MD step = 110500 step time: 00:00:00.017993 Performance: 497.567 ns/day 0.048 hours/ns 28.794 steps/s 2023-02-20 02:31:06,301 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 59.586 -33390 6530.7 -39921 -39921 2.1239 3.037 -0.17064 1.8931e+05 2023-02-20 02:31:08,220 INFO [main.py:643]
{rank 0/100} MD step = 110600 step time: 00:00:00.018281 Performance: 497.603 ns/day 0.048 hours/ns 28.796 steps/s 2023-02-20 02:31:09,528 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 59.258 -33700 6494.8 -40195 -40195 2.1265 3.0382 -0.17028 1.8946e+05 2023-02-20 02:31:11,369 INFO [main.py:643]
{rank 0/100} MD step = 110700 step time: 00:00:00.018311 Performance: 497.645 ns/day 0.048 hours/ns 28.799 steps/s 2023-02-20 02:31:12,729 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 59.748 -33470 6548.4 -40019 -40019 2.1316 3.0384 -0.17142 1.8962e+05 2023-02-20 02:31:14,799 INFO [main.py:643]
{rank 0/100} MD step = 110800 step time: 00:00:00.018477 Performance: 497.651 ns/day 0.048 hours/ns 28.799 steps/s 2023-02-20 02:31:16,175 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 59.677 -33574 6540.7 -40115 -40115 2.134 3.0399 -0.17214 1.8979e+05 2023-02-20 02:31:18,073 INFO [main.py:643]
{rank 0/100} MD step = 110900 step time: 00:00:00.018094 Performance: 497.676 ns/day 0.048 hours/ns 28.801 steps/s 2023-02-20 02:31:19,398 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 60.283 -33511 6607 -40118 -40118 2.1382 3.0426 -0.17304 1.8996e+05 2023-02-20 02:31:21,253 INFO [main.py:643]
{rank 0/100} MD step = 111000 step time: 00:00:00.018432 Performance: 497.714 ns/day 0.048 hours/ns 28.803 steps/s 2023-02-20 02:31:22,455 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 60.033 -33541 6579.7 -40121 -40121 2.1398 3.0436 -0.17319 1.901e+05 2023-02-20 02:31:24,473 INFO [main.py:643]
{rank 0/100} MD step = 111100 step time: 00:00:00.018546 Performance: 497.747 ns/day 0.048 hours/ns 28.805 steps/s 2023-02-20 02:31:25,617 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 60.219 -33570 6600.1 -40170 -40170 2.1411 3.0446 -0.17205 1.9031e+05 2023-02-20 02:31:27,584 INFO [main.py:643]
{rank 0/100} MD step = 111200 step time: 00:00:00.018300 Performance: 497.793 ns/day 0.048 hours/ns 28.807 steps/s 2023-02-20 02:31:28,838 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 60.205 -33452 6598.5 -40050 -40050 2.1429 3.0449 -0.17129 1.9046e+05 2023-02-20 02:31:30,745 INFO [main.py:643]
{rank 0/100} MD step = 111300 step time: 00:00:00.018182 Performance: 497.833 ns/day 0.048 hours/ns 28.810 steps/s 2023-02-20 02:31:32,025 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 111300 22260 60.026 -33606 6578.9 -40185 -40185 2.1453 3.046 -0.1719 1.9063e+05 2023-02-20 02:31:33,907 INFO [main.py:643]
{rank 0/100} MD step = 111400 step time: 00:00:00.019761 Performance: 497.873 ns/day 0.048 hours/ns 28.812 steps/s 2023-02-20 02:31:35,251 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 60.543 -33526 6635.6 -40162 -40162 2.1484 3.0454 -0.17141 1.9081e+05 2023-02-20 02:31:37,116 INFO [main.py:643]
{rank 0/100} MD step = 111500 step time: 00:00:00.018208 Performance: 497.907 ns/day 0.048 hours/ns 28.814 steps/s 2023-02-20 02:31:38,356 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 60.151 -33617 6592.6 -40210 -40210 2.1531 3.0463 -0.17159 1.9096e+05 2023-02-20 02:31:40,341 INFO [main.py:643]
{rank 0/100} MD step = 111600 step time: 00:00:00.017973 Performance: 497.938 ns/day 0.048 hours/ns 28.816 steps/s 2023-02-20 02:31:41,651 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 61.357 -33400 6724.8 -40125 -40125 2.1573 3.0499 -0.17039 1.9115e+05 2023-02-20 02:31:43,582 INFO [main.py:643]
{rank 0/100} MD step = 111700 step time: 00:00:00.018175 Performance: 497.968 ns/day 0.048 hours/ns 28.818 steps/s 2023-02-20 02:31:44,887 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 60.047 -33447 6581.2 -40028 -40028 2.1608 3.0527 -0.17044 1.9133e+05 2023-02-20 02:31:46,786 INFO [main.py:643]
{rank 0/100} MD step = 111800 step time: 00:00:00.018019 Performance: 498.002 ns/day 0.048 hours/ns 28.820 steps/s 2023-02-20 02:31:47,926 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 59.543 -33721 6526 -40247 -40247 2.1654 3.0519 -0.17129 1.9148e+05 2023-02-20 02:31:49,872 INFO [main.py:643]
{rank 0/100} MD step = 111900 step time: 00:00:00.019153 Performance: 498.051 ns/day 0.048 hours/ns 28.822 steps/s 2023-02-20 02:31:51,124 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 59.121 -33631 6479.7 -40110 -40110 2.1683 3.0532 -0.17165 1.9165e+05 2023-02-20 02:31:53,048 INFO [main.py:643]
{rank 0/100} MD step = 112000 step time: 00:00:00.018086 Performance: 498.089 ns/day 0.048 hours/ns 28.825 steps/s 2023-02-20 02:31:54,724 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 59.98 -33612 6573.9 -40186 -40186 2.1715 3.0556 -0.1721 1.9181e+05 2023-02-20 02:31:56,607 INFO [main.py:643]
{rank 0/100} MD step = 112100 step time: 00:00:00.018124 Performance: 498.077 ns/day 0.048 hours/ns 28.824 steps/s 2023-02-20 02:31:58,035 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 60.085 -33577 6585.4 -40162 -40162 2.1754 3.0571 -0.17247 1.9198e+05 2023-02-20 02:31:59,893 INFO [main.py:643]
{rank 0/100} MD step = 112200 step time: 00:00:00.018126 Performance: 498.101 ns/day 0.048 hours/ns 28.825 steps/s 2023-02-20 02:32:01,148 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 60.109 -33489 6588 -40077 -40077 2.1772 3.0584 -0.17323 1.9214e+05 2023-02-20 02:32:03,071 INFO [main.py:643]
{rank 0/100} MD step = 112300 step time: 00:00:00.018030 Performance: 498.138 ns/day 0.048 hours/ns 28.827 steps/s 2023-02-20 02:32:04,490 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 60.131 -33499 6590.4 -40090 -40090 2.1796 3.0612 -0.17372 1.9232e+05 2023-02-20 02:32:06,293 INFO [main.py:643]
{rank 0/100} MD step = 112400 step time: 00:00:00.017949 Performance: 498.169 ns/day 0.048 hours/ns 28.829 steps/s 2023-02-20 02:32:07,558 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 59.677 -33542 6540.6 -40083 -40083 2.1816 3.0624 -0.1729 1.9249e+05 2023-02-20 02:32:09,467 INFO [main.py:643]
{rank 0/100} MD step = 112500 step time: 00:00:00.018105 Performance: 498.207 ns/day 0.048 hours/ns 28.831 steps/s 2023-02-20 02:32:10,691 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 59.747 -33566 6548.3 -40114 -40114 2.1855 3.0638 -0.17254 1.9268e+05 2023-02-20 02:32:12,547 INFO [main.py:643]
{rank 0/100} MD step = 112600 step time: 00:00:00.017994 Performance: 498.257 ns/day 0.048 hours/ns 28.834 steps/s 2023-02-20 02:32:13,901 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 60.527 -33473 6633.8 -40107 -40107 2.1899 3.0658 -0.17475 1.9283e+05 2023-02-20 02:32:15,754 INFO [main.py:643]
{rank 0/100} MD step = 112700 step time: 00:00:00.018092 Performance: 498.290 ns/day 0.048 hours/ns 28.836 steps/s 2023-02-20 02:32:17,265 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 60.086 -33540 6585.4 -40126 -40126 2.1924 3.0675 -0.17565 1.9302e+05 2023-02-20 02:32:19,163 INFO [main.py:643]
{rank 0/100} MD step = 112800 step time: 00:00:00.018097 Performance: 498.297 ns/day 0.048 hours/ns 28.837 steps/s 2023-02-20 02:32:20,335 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 59.664 -33610 6539.3 -40149 -40149 2.1972 3.0689 -0.1743 1.9321e+05 2023-02-20 02:32:22,420 INFO [main.py:643]
{rank 0/100} MD step = 112900 step time: 00:00:00.017976 Performance: 498.324 ns/day 0.048 hours/ns 28.838 steps/s 2023-02-20 02:32:23,764 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 60.309 -33447 6610 -40057 -40057 2.1999 3.0717 -0.17538 1.9339e+05 2023-02-20 02:32:25,675 INFO [main.py:643]
{rank 0/100} MD step = 113000 step time: 00:00:00.018369 Performance: 498.351 ns/day 0.048 hours/ns 28.840 steps/s 2023-02-20 02:32:27,135 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 60.058 -33534 6582.4 -40116 -40116 2.2021 3.0751 -0.17367 1.9353e+05 2023-02-20 02:32:29,135 INFO [main.py:643]
{rank 0/100} MD step = 113100 step time: 00:00:00.018030 Performance: 498.352 ns/day 0.048 hours/ns 28.840 steps/s 2023-02-20 02:32:30,876 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 60.277 -33377 6606.5 -39984 -39984 2.2051 3.0755 -0.17551 1.9373e+05 2023-02-20 02:32:32,711 INFO [main.py:643]
{rank 0/100} MD step = 113200 step time: 00:00:00.018062 Performance: 498.338 ns/day 0.048 hours/ns 28.839 steps/s 2023-02-20 02:32:33,941 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 60.143 -33647 6591.7 -40239 -40239 2.2086 3.0764 -0.17611 1.9385e+05 2023-02-20 02:32:35,928 INFO [main.py:643]
{rank 0/100} MD step = 113300 step time: 00:00:00.018127 Performance: 498.370 ns/day 0.048 hours/ns 28.841 steps/s 2023-02-20 02:32:37,266 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 59.097 -33655 6477.1 -40132 -40132 2.2134 3.0781 -0.17614 1.9403e+05 2023-02-20 02:32:39,095 INFO [main.py:643]
{rank 0/100} MD step = 113400 step time: 00:00:00.018508 Performance: 498.408 ns/day 0.048 hours/ns 28.843 steps/s 2023-02-20 02:32:40,339 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 61.023 -33281 6688.2 -39970 -39970 2.2156 3.0799 -0.17763 1.9424e+05 2023-02-20 02:32:42,316 INFO [main.py:643]
{rank 0/100} MD step = 113500 step time: 00:00:00.018317 Performance: 498.439 ns/day 0.048 hours/ns 28.845 steps/s 2023-02-20 02:32:43,558 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 59.033 -33630 6470.1 -40100 -40100 2.2196 3.0825 -0.18023 1.9437e+05 2023-02-20 02:32:45,474 INFO [main.py:643]
{rank 0/100} MD step = 113600 step time: 00:00:00.018015 Performance: 498.478 ns/day 0.048 hours/ns 28.847 steps/s 2023-02-20 02:32:46,819 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 59.847 -33566 6559.4 -40125 -40125 2.2238 3.0841 -0.1802 1.9453e+05 2023-02-20 02:32:48,760 INFO [main.py:643]
{rank 0/100} MD step = 113700 step time: 00:00:00.017979 Performance: 498.501 ns/day 0.048 hours/ns 28.848 steps/s 2023-02-20 02:32:50,018 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 59.588 -33636 6530.9 -40167 -40167 2.2285 3.0859 -0.18028 1.9469e+05 2023-02-20 02:32:51,989 INFO [main.py:643]
{rank 0/100} MD step = 113800 step time: 00:00:00.017897 Performance: 498.531 ns/day 0.048 hours/ns 28.850 steps/s 2023-02-20 02:32:53,316 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 60.393 -33409 6619.2 -40028 -40028 2.2318 3.087 -0.17931 1.9489e+05 2023-02-20 02:32:55,202 INFO [main.py:643]
{rank 0/100} MD step = 113900 step time: 00:00:00.018328 Performance: 498.563 ns/day 0.048 hours/ns 28.852 steps/s 2023-02-20 02:32:56,707 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 60.273 -33534 6606 -40140 -40140 2.235 3.0879 -0.18061 1.9503e+05 2023-02-20 02:32:58,541 INFO [main.py:643]
{rank 0/100} MD step = 114000 step time: 00:00:00.018011 Performance: 498.579 ns/day 0.048 hours/ns 28.853 steps/s 2023-02-20 02:33:02,678 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 60.216 -33543 6599.7 -40143 -40143 2.2385 3.089 -0.18018 1.952e+05 2023-02-20 02:33:04,569 INFO [main.py:643]
{rank 0/100} MD step = 114100 step time: 00:00:00.019069 Performance: 498.256 ns/day 0.048 hours/ns 28.834 steps/s 2023-02-20 02:33:05,829 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 59.469 -33535 6517.9 -40053 -40053 2.2423 3.0926 -0.18105 1.9536e+05 2023-02-20 02:33:07,789 INFO [main.py:643]
{rank 0/100} MD step = 114200 step time: 00:00:00.018448 Performance: 498.288 ns/day 0.048 hours/ns 28.836 steps/s 2023-02-20 02:33:09,080 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 59.677 -33610 6540.6 -40151 -40151 2.2474 3.0952 -0.18074 1.9553e+05 2023-02-20 02:33:11,032 INFO [main.py:643]
{rank 0/100} MD step = 114300 step time: 00:00:00.018390 Performance: 498.316 ns/day 0.048 hours/ns 28.838 steps/s 2023-02-20 02:33:17,002 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 59.854 -33429 6560 -39989 -39989 2.2521 3.0962 -0.18113 1.9572e+05 2023-02-20 02:33:18,876 INFO [main.py:643]
{rank 0/100} MD step = 114400 step time: 00:00:00.018046 Performance: 497.767 ns/day 0.048 hours/ns 28.806 steps/s 2023-02-20 02:33:19,689 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 114400 22880 61.207 -33284 6708.4 -39992 -39992 2.256 3.0971 -0.18363 1.9589e+05 2023-02-20 02:33:22,084 INFO [main.py:643]
{rank 0/100} MD step = 114500 step time: 00:00:00.018016 Performance: 497.800 ns/day 0.048 hours/ns 28.808 steps/s 2023-02-20 02:33:27,525 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 114500 22900 59.978 -33633 6573.7 -40206 -40206 2.2604 3.0993 -0.18437 1.9601e+05 2023-02-20 02:33:29,411 INFO [main.py:643]
{rank 0/100} MD step = 114600 step time: 00:00:00.017986 Performance: 497.318 ns/day 0.048 hours/ns 28.780 steps/s 2023-02-20 02:33:34,334 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 114600 22920 60.547 -33456 6636 -40092 -40092 2.2635 3.0995 -0.18393 1.9623e+05 2023-02-20 02:33:36,296 INFO [main.py:643]
{rank 0/100} MD step = 114700 step time: 00:00:00.018214 Performance: 496.893 ns/day 0.048 hours/ns 28.755 steps/s 2023-02-20 02:33:37,579 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 60.315 -33582 6610.6 -40193 -40193 2.268 3.1007 -0.18441 1.9637e+05 2023-02-20 02:33:39,496 INFO [main.py:643]
{rank 0/100} MD step = 114800 step time: 00:00:00.018200 Performance: 496.927 ns/day 0.048 hours/ns 28.757 steps/s 2023-02-20 02:33:41,209 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 61.019 -33464 6687.7 -40152 -40152 2.2715 3.1 -0.18418 1.9657e+05 2023-02-20 02:33:43,059 INFO [main.py:643]
{rank 0/100} MD step = 114900 step time: 00:00:00.018090 Performance: 496.917 ns/day 0.048 hours/ns 28.757 steps/s 2023-02-20 02:33:44,351 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 59.882 -33498 6563.2 -40061 -40061 2.2737 3.1023 -0.18393 1.9676e+05 2023-02-20 02:33:46,199 INFO [main.py:643]
{rank 0/100} MD step = 115000 step time: 00:00:00.018025 Performance: 496.958 ns/day 0.048 hours/ns 28.759 steps/s 2023-02-20 02:33:47,517 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 115000 23000 58.873 -33661 6452.6 -40113 -40113 2.276 3.1038 -0.18504 1.9693e+05 2023-02-20 02:33:49,392 INFO [main.py:643]
{rank 0/100} MD step = 115100 step time: 00:00:00.018153 Performance: 496.994 ns/day 0.048 hours/ns 28.761 steps/s 2023-02-20 02:33:50,969 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 115100 23020 60.566 -33437 6638.1 -40075 -40075 2.282 3.1052 -0.18432 1.9712e+05 2023-02-20 02:33:52,871 INFO [main.py:643]
{rank 0/100} MD step = 115200 step time: 00:00:00.018011 Performance: 496.993 ns/day 0.048 hours/ns 28.761 steps/s 2023-02-20 02:33:54,110 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 59.373 -33563 6507.3 -40070 -40070 2.286 3.1035 -0.18542 1.9731e+05 2023-02-20 02:33:56,010 INFO [main.py:643]
{rank 0/100} MD step = 115300 step time: 00:00:00.018356 Performance: 497.035 ns/day 0.048 hours/ns 28.764 steps/s 2023-02-20 02:33:57,212 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 59.587 -33707 6530.8 -40238 -40238 2.2909 3.1059 -0.18622 1.9744e+05 2023-02-20 02:33:59,166 INFO [main.py:643]
{rank 0/100} MD step = 115400 step time: 00:00:00.018061 Performance: 497.075 ns/day 0.048 hours/ns 28.766 steps/s 2023-02-20 02:34:00,239 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 59.992 -33507 6575.2 -40082 -40082 2.2955 3.1084 -0.18666 1.9768e+05 2023-02-20 02:34:02,256 INFO [main.py:643]
{rank 0/100} MD step = 115500 step time: 00:00:00.018686 Performance: 497.123 ns/day 0.048 hours/ns 28.769 steps/s 2023-02-20 02:34:03,490 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 59.789 -33681 6552.9 -40234 -40234 2.2997 3.1108 -0.18649 1.9782e+05 2023-02-20 02:34:05,334 INFO [main.py:643]
{rank 0/100} MD step = 115600 step time: 00:00:00.018110 Performance: 497.172 ns/day 0.048 hours/ns 28.772 steps/s 2023-02-20 02:34:06,179 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 59.248 -33603 6493.7 -40097 -40097 2.3034 3.1114 -0.18701 1.9798e+05 2023-02-20 02:34:08,549 INFO [main.py:643]
{rank 0/100} MD step = 115700 step time: 00:00:00.017932 Performance: 497.204 ns/day 0.048 hours/ns 28.773 steps/s 2023-02-20 02:34:09,926 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 60.359 -33583 6615.4 -40198 -40198 2.3074 3.1147 -0.18669 1.9815e+05 2023-02-20 02:34:11,731 INFO [main.py:643]
{rank 0/100} MD step = 115800 step time: 00:00:00.018129 Performance: 497.241 ns/day 0.048 hours/ns 28.775 steps/s 2023-02-20 02:34:13,010 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 60.271 -33663 6605.7 -40268 -40268 2.3119 3.116 -0.18701 1.983e+05 2023-02-20 02:34:14,953 INFO [main.py:643]
{rank 0/100} MD step = 115900 step time: 00:00:00.018025 Performance: 497.272 ns/day 0.048 hours/ns 28.777 steps/s 2023-02-20 02:34:16,193 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 59.859 -33561 6560.7 -40121 -40121 2.3176 3.1182 -0.18654 1.985e+05 2023-02-20 02:34:18,091 INFO [main.py:643]
{rank 0/100} MD step = 116000 step time: 00:00:00.018205 Performance: 497.313 ns/day 0.048 hours/ns 28.780 steps/s 2023-02-20 02:34:19,436 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 60.302 -33510 6609.2 -40119 -40119 2.3224 3.1203 -0.18771 1.987e+05 2023-02-20 02:34:21,265 INFO [main.py:643]
{rank 0/100} MD step = 116100 step time: 00:00:00.018024 Performance: 497.351 ns/day 0.048 hours/ns 28.782 steps/s 2023-02-20 02:34:22,665 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 59.419 -33517 6512.4 -40029 -40029 2.3293 3.1222 -0.18822 1.9889e+05 2023-02-20 02:34:24,480 INFO [main.py:643]
{rank 0/100} MD step = 116200 step time: 00:00:00.018012 Performance: 497.382 ns/day 0.048 hours/ns 28.784 steps/s 2023-02-20 02:34:25,839 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 59.012 -33625 6467.7 -40093 -40093 2.3311 3.1238 -0.18864 1.9903e+05 2023-02-20 02:34:28,070 INFO [main.py:643]
{rank 0/100} MD step = 116300 step time: 00:00:00.018058 Performance: 497.368 ns/day 0.048 hours/ns 28.783 steps/s 2023-02-20 02:34:29,357 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 60.685 -33368 6651.2 -40019 -40019 2.3353 3.1259 -0.18879 1.9921e+05 2023-02-20 02:34:31,735 INFO [main.py:643]
{rank 0/100} MD step = 116400 step time: 00:00:00.018224 Performance: 497.345 ns/day 0.048 hours/ns 28.782 steps/s 2023-02-20 02:34:33,154 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 61.134 -33297 6700.4 -39998 -39998 2.338 3.1262 -0.18809 1.9939e+05 2023-02-20 02:34:35,020 INFO [main.py:643]
{rank 0/100} MD step = 116500 step time: 00:00:00.018158 Performance: 497.368 ns/day 0.048 hours/ns 28.783 steps/s 2023-02-20 02:34:36,700 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 59.331 -33589 6502.7 -40091 -40091 2.3432 3.1282 -0.18895 1.9957e+05 2023-02-20 02:34:38,539 INFO [main.py:643]
{rank 0/100} MD step = 116600 step time: 00:00:00.018279 Performance: 497.362 ns/day 0.048 hours/ns 28.783 steps/s 2023-02-20 02:34:39,759 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 116600 23320 59.748 -33579 6548.4 -40128 -40128 2.3466 3.1291 -0.18951 1.9974e+05 2023-02-20 02:34:41,639 INFO [main.py:643]
{rank 0/100} MD step = 116700 step time: 00:00:00.018289 Performance: 497.408 ns/day 0.048 hours/ns 28.785 steps/s 2023-02-20 02:34:42,992 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 60.416 -33469 6621.7 -40091 -40091 2.3508 3.1301 -0.19089 1.999e+05 2023-02-20 02:34:44,936 INFO [main.py:643]
{rank 0/100} MD step = 116800 step time: 00:00:00.017977 Performance: 497.430 ns/day 0.048 hours/ns 28.786 steps/s 2023-02-20 02:34:46,270 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 60.697 -33512 6652.4 -40165 -40165 2.3562 3.1317 -0.19209 2.0008e+05 2023-02-20 02:34:48,162 INFO [main.py:643]
{rank 0/100} MD step = 116900 step time: 00:00:00.018097 Performance: 497.460 ns/day 0.048 hours/ns 28.788 steps/s 2023-02-20 02:34:49,452 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 60.097 -33596 6586.7 -40183 -40183 2.3612 3.1316 -0.19173 2.0025e+05 2023-02-20 02:34:51,293 INFO [main.py:643]
{rank 0/100} MD step = 117000 step time: 00:00:00.018146 Performance: 497.502 ns/day 0.048 hours/ns 28.791 steps/s 2023-02-20 02:34:52,350 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 59.904 -33613 6565.5 -40178 -40178 2.3643 3.1331 -0.19344 2.0041e+05 2023-02-20 02:34:54,704 INFO [main.py:643]
{rank 0/100} MD step = 117100 step time: 00:00:00.018431 Performance: 497.510 ns/day 0.048 hours/ns 28.791 steps/s 2023-02-20 02:34:55,948 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 59.255 -33693 6494.4 -40187 -40187 2.3676 3.1324 -0.19536 2.0061e+05 2023-02-20 02:34:57,899 INFO [main.py:643]
{rank 0/100} MD step = 117200 step time: 00:00:00.023742 Performance: 497.544 ns/day 0.048 hours/ns 28.793 steps/s 2023-02-20 02:34:59,383 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 117200 23440 60.334 -33518 6612.7 -40131 -40131 2.3716 3.1339 -0.19475 2.0082e+05 2023-02-20 02:35:01,208 INFO [main.py:643]
{rank 0/100} MD step = 117300 step time: 00:00:00.026275 Performance: 497.564 ns/day 0.048 hours/ns 28.794 steps/s 2023-02-20 02:35:02,857 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 59.466 -33563 6517.6 -40081 -40081 2.3735 3.135 -0.19597 2.01e+05 2023-02-20 02:35:04,718 INFO [main.py:643]
{rank 0/100} MD step = 117400 step time: 00:00:00.018606 Performance: 497.560 ns/day 0.048 hours/ns 28.794 steps/s 2023-02-20 02:35:05,987 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 59.865 -33639 6561.3 -40201 -40201 2.3785 3.1371 -0.19445 2.0115e+05 2023-02-20 02:35:07,918 INFO [main.py:643]
{rank 0/100} MD step = 117500 step time: 00:00:00.020785 Performance: 497.593 ns/day 0.048 hours/ns 28.796 steps/s 2023-02-20 02:35:09,561 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 60.652 -33441 6647.6 -40089 -40089 2.3824 3.1385 -0.19487 2.0135e+05 2023-02-20 02:35:11,503 INFO [main.py:643]
{rank 0/100} MD step = 117600 step time: 00:00:00.018251 Performance: 497.579 ns/day 0.048 hours/ns 28.795 steps/s 2023-02-20 02:35:12,943 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 59.724 -33568 6545.9 -40114 -40114 2.3855 3.141 -0.19382 2.0152e+05 2023-02-20 02:35:14,906 INFO [main.py:643]
{rank 0/100} MD step = 117700 step time: 00:00:00.018096 Performance: 497.588 ns/day 0.048 hours/ns 28.796 steps/s 2023-02-20 02:35:16,595 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 60.794 -33493 6663.1 -40157 -40157 2.3887 3.1414 -0.19392 2.0171e+05 2023-02-20 02:35:18,460 INFO [main.py:643]
{rank 0/100} MD step = 117800 step time: 00:00:00.018097 Performance: 497.578 ns/day 0.048 hours/ns 28.795 steps/s 2023-02-20 02:35:19,686 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 59.395 -33554 6509.8 -40064 -40064 2.3933 3.1425 -0.19369 2.019e+05 2023-02-20 02:35:21,733 INFO [main.py:643]
{rank 0/100} MD step = 117900 step time: 00:00:00.018040 Performance: 497.602 ns/day 0.048 hours/ns 28.796 steps/s 2023-02-20 02:35:23,108 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 117900 23580 59.93 -33481 6568.4 -40049 -40049 2.398 3.1441 -0.19491 2.0206e+05 2023-02-20 02:35:25,138 INFO [main.py:643]
{rank 0/100} MD step = 118000 step time: 00:00:00.018097 Performance: 497.610 ns/day 0.048 hours/ns 28.797 steps/s 2023-02-20 02:35:26,459 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 59.932 -33559 6568.6 -40128 -40128 2.4013 3.1456 -0.19532 2.0222e+05 2023-02-20 02:35:28,354 INFO [main.py:643]
{rank 0/100} MD step = 118100 step time: 00:00:00.018166 Performance: 497.641 ns/day 0.048 hours/ns 28.799 steps/s 2023-02-20 02:35:29,826 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 60.335 -33394 6612.8 -40007 -40007 2.4058 3.148 -0.19559 2.0241e+05 2023-02-20 02:35:31,733 INFO [main.py:643]
{rank 0/100} MD step = 118200 step time: 00:00:00.017961 Performance: 497.653 ns/day 0.048 hours/ns 28.799 steps/s 2023-02-20 02:35:33,048 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 59.101 -33627 6477.6 -40105 -40105 2.4086 3.1494 -0.19533 2.0254e+05 2023-02-20 02:35:35,025 INFO [main.py:643]
{rank 0/100} MD step = 118300 step time: 00:00:00.018342 Performance: 497.675 ns/day 0.048 hours/ns 28.801 steps/s 2023-02-20 02:35:36,397 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 60.338 -33442 6613.1 -40056 -40056 2.4141 3.1494 -0.19534 2.0274e+05 2023-02-20 02:35:38,287 INFO [main.py:643]
{rank 0/100} MD step = 118400 step time: 00:00:00.018042 Performance: 497.700 ns/day 0.048 hours/ns 28.802 steps/s 2023-02-20 02:35:39,709 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 118400 23680 58.923 -33688 6458.1 -40146 -40146 2.4198 3.1493 -0.1949 2.0288e+05 2023-02-20 02:35:41,545 INFO [main.py:643]
{rank 0/100} MD step = 118500 step time: 00:00:00.018124 Performance: 497.726 ns/day 0.048 hours/ns 28.804 steps/s 2023-02-20 02:35:42,866 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 60.294 -33392 6608.3 -40000 -40000 2.4224 3.1513 -0.19567 2.0305e+05 2023-02-20 02:35:44,755 INFO [main.py:643]
{rank 0/100} MD step = 118600 step time: 00:00:00.018161 Performance: 497.758 ns/day 0.048 hours/ns 28.805 steps/s 2023-02-20 02:35:46,434 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 118600 23720 59.788 -33633 6552.8 -40185 -40185 2.4261 3.1526 -0.19652 2.032e+05 2023-02-20 02:35:48,273 INFO [main.py:643]
{rank 0/100} MD step = 118700 step time: 00:00:00.018128 Performance: 497.752 ns/day 0.048 hours/ns 28.805 steps/s 2023-02-20 02:35:49,598 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 59.724 -33430 6545.8 -39976 -39976 2.4315 3.1528 -0.19437 2.0338e+05 2023-02-20 02:35:51,515 INFO [main.py:643]
{rank 0/100} MD step = 118800 step time: 00:00:00.018174 Performance: 497.780 ns/day 0.048 hours/ns 28.807 steps/s 2023-02-20 02:35:52,904 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 60.639 -33393 6646.2 -40039 -40039 2.436 3.1511 -0.1962 2.0355e+05 2023-02-20 02:35:54,833 INFO [main.py:643]
{rank 0/100} MD step = 118900 step time: 00:00:00.019947 Performance: 497.798 ns/day 0.048 hours/ns 28.808 steps/s 2023-02-20 02:35:56,262 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 60.782 -33572 6661.8 -40234 -40234 2.4417 3.1543 -0.19673 2.037e+05 2023-02-20 02:35:58,210 INFO [main.py:643]
{rank 0/100} MD step = 119000 step time: 00:00:00.017879 Performance: 497.810 ns/day 0.048 hours/ns 28.808 steps/s 2023-02-20 02:35:59,489 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 59.92 -33571 6567.3 -40138 -40138 2.4478 3.1552 -0.19809 2.039e+05 2023-02-20 02:36:01,393 INFO [main.py:643]
{rank 0/100} MD step = 119100 step time: 00:00:00.018179 Performance: 497.844 ns/day 0.048 hours/ns 28.810 steps/s 2023-02-20 02:36:02,870 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 119100 23820 60.326 -33512 6611.8 -40124 -40124 2.4521 3.1558 -0.19769 2.0403e+05 2023-02-20 02:36:04,735 INFO [main.py:643]
{rank 0/100} MD step = 119200 step time: 00:00:00.018081 Performance: 497.860 ns/day 0.048 hours/ns 28.811 steps/s 2023-02-20 02:36:06,071 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 59.595 -33600 6531.7 -40132 -40132 2.4548 3.1573 -0.19868 2.042e+05 2023-02-20 02:36:07,912 INFO [main.py:643]
{rank 0/100} MD step = 119300 step time: 00:00:00.020959 Performance: 497.895 ns/day 0.048 hours/ns 28.813 steps/s 2023-02-20 02:36:09,388 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 60.184 -33521 6596.3 -40118 -40118 2.4593 3.1595 -0.19887 2.0438e+05 2023-02-20 02:36:11,286 INFO [main.py:643]
{rank 0/100} MD step = 119400 step time: 00:00:00.017970 Performance: 497.907 ns/day 0.048 hours/ns 28.814 steps/s 2023-02-20 02:36:12,686 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 60.084 -33468 6585.2 -40053 -40053 2.462 3.1622 -0.19856 2.0458e+05 2023-02-20 02:36:14,698 INFO [main.py:643]
{rank 0/100} MD step = 119500 step time: 00:00:00.018043 Performance: 497.914 ns/day 0.048 hours/ns 28.814 steps/s 2023-02-20 02:36:16,213 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 60.093 -33571 6586.2 -40158 -40158 2.4657 3.1645 -0.19933 2.0475e+05 2023-02-20 02:36:18,161 INFO [main.py:643]
{rank 0/100} MD step = 119600 step time: 00:00:00.018115 Performance: 497.915 ns/day 0.048 hours/ns 28.815 steps/s 2023-02-20 02:36:19,523 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 60.329 -33647 6612.1 -40259 -40259 2.469 3.167 -0.19955 2.0491e+05 2023-02-20 02:36:21,510 INFO [main.py:643]
{rank 0/100} MD step = 119700 step time: 00:00:00.018038 Performance: 497.929 ns/day 0.048 hours/ns 28.815 steps/s 2023-02-20 02:36:22,845 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 119700 23940 60.245 -33656 6602.9 -40259 -40259 2.4712 3.167 -0.19833 2.0509e+05 2023-02-20 02:36:25,268 INFO [main.py:643]
{rank 0/100} MD step = 119800 step time: 00:00:00.017999 Performance: 497.895 ns/day 0.048 hours/ns 28.813 steps/s 2023-02-20 02:36:26,352 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 59.781 -33584 6552.1 -40137 -40137 2.4743 3.1684 -0.19807 2.0526e+05 2023-02-20 02:36:28,462 INFO [main.py:643]
{rank 0/100} MD step = 119900 step time: 00:00:00.018008 Performance: 497.928 ns/day 0.048 hours/ns 28.815 steps/s 2023-02-20 02:36:29,825 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 59.83 -33622 6557.5 -40180 -40180 2.4774 3.1706 -0.19799 2.054e+05 2023-02-20 02:36:31,674 INFO [main.py:643]
{rank 0/100} MD step = 120000 step time: 00:00:00.018174 Performance: 497.959 ns/day 0.048 hours/ns 28.817 steps/s 2023-02-20 02:36:32,511 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 120000 24000 59.681 -33562 6541.1 -40103 -40103 2.4794 3.1722 -0.19613 2.0555e+05 2023-02-20 02:36:35,060 INFO [main.py:643]
{rank 0/100} MD step = 120100 step time: 00:00:00.018117 Performance: 497.969 ns/day 0.048 hours/ns 28.818 steps/s 2023-02-20 02:36:36,294 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 58.68 -33740 6431.4 -40172 -40172 2.4833 3.1738 -0.19605 2.0574e+05 2023-02-20 02:36:38,158 INFO [main.py:643]
{rank 0/100} MD step = 120200 step time: 00:00:00.018254 Performance: 498.013 ns/day 0.048 hours/ns 28.820 steps/s 2023-02-20 02:36:39,266 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 60.283 -33405 6607.1 -40012 -40012 2.4844 3.1752 -0.19622 2.0594e+05 2023-02-20 02:36:41,228 INFO [main.py:643]
{rank 0/100} MD step = 120300 step time: 00:00:00.017855 Performance: 498.061 ns/day 0.048 hours/ns 28.823 steps/s 2023-02-20 02:36:42,691 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 60.317 -33489 6610.8 -40099 -40099 2.4852 3.1755 -0.1954 2.0612e+05 2023-02-20 02:36:44,593 INFO [main.py:643]
{rank 0/100} MD step = 120400 step time: 00:00:00.018027 Performance: 498.073 ns/day 0.048 hours/ns 28.824 steps/s 2023-02-20 02:36:45,953 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 120400 24080 60.728 -33400 6655.9 -40056 -40056 2.4893 3.1775 -0.19533 2.0629e+05 2023-02-20 02:36:47,804 INFO [main.py:643]
{rank 0/100} MD step = 120500 step time: 00:00:00.018030 Performance: 498.104 ns/day 0.048 hours/ns 28.825 steps/s 2023-02-20 02:36:48,831 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 59.471 -33503 6518.1 -40022 -40022 2.4937 3.1797 -0.19538 2.0646e+05 2023-02-20 02:36:51,060 INFO [main.py:643]
{rank 0/100} MD step = 120600 step time: 00:00:00.018228 Performance: 498.130 ns/day 0.048 hours/ns 28.827 steps/s 2023-02-20 02:36:52,300 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 120600 24120 60.54 -33350 6635.2 -39985 -39985 2.4953 3.1811 -0.19668 2.0664e+05 2023-02-20 02:36:54,230 INFO [main.py:643]
{rank 0/100} MD step = 120700 step time: 00:00:00.018382 Performance: 498.165 ns/day 0.048 hours/ns 28.829 steps/s 2023-02-20 02:36:55,511 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 59.843 -33687 6558.9 -40246 -40246 2.5 3.1819 -0.19769 2.0673e+05 2023-02-20 02:36:57,385 INFO [main.py:643]
{rank 0/100} MD step = 120800 step time: 00:00:00.018202 Performance: 498.202 ns/day 0.048 hours/ns 28.831 steps/s 2023-02-20 02:36:58,721 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 120800 24160 59.895 -33694 6564.6 -40259 -40259 2.503 3.1834 -0.19788 2.0692e+05 2023-02-20 02:37:00,588 INFO [main.py:643]
{rank 0/100} MD step = 120900 step time: 00:00:00.018041 Performance: 498.234 ns/day 0.048 hours/ns 28.833 steps/s 2023-02-20 02:37:01,844 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 60.177 -33474 6595.4 -40069 -40069 2.5073 3.1856 -0.19763 2.0714e+05 2023-02-20 02:37:03,681 INFO [main.py:643]
{rank 0/100} MD step = 121000 step time: 00:00:00.018062 Performance: 498.279 ns/day 0.048 hours/ns 28.836 steps/s 2023-02-20 02:37:04,925 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 60.517 -33476 6632.7 -40109 -40109 2.5099 3.1862 -0.19708 2.0731e+05 2023-02-20 02:37:06,889 INFO [main.py:643]
{rank 0/100} MD step = 121100 step time: 00:00:00.018156 Performance: 498.309 ns/day 0.048 hours/ns 28.837 steps/s 2023-02-20 02:37:08,386 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 60.648 -33466 6647.1 -40113 -40113 2.5146 3.1858 -0.19672 2.0748e+05 2023-02-20 02:37:10,202 INFO [main.py:643]
{rank 0/100} MD step = 121200 step time: 00:00:00.017988 Performance: 498.328 ns/day 0.048 hours/ns 28.838 steps/s 2023-02-20 02:37:11,487 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 59.659 -33557 6538.7 -40096 -40096 2.5167 3.186 -0.19775 2.0767e+05 2023-02-20 02:37:13,347 INFO [main.py:643]
{rank 0/100} MD step = 121300 step time: 00:00:00.018092 Performance: 498.366 ns/day 0.048 hours/ns 28.841 steps/s 2023-02-20 02:37:14,478 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 60.338 -33482 6613.1 -40095 -40095 2.5186 3.1891 -0.19813 2.0784e+05 2023-02-20 02:37:16,499 INFO [main.py:643]
{rank 0/100} MD step = 121400 step time: 00:00:00.017905 Performance: 498.403 ns/day 0.048 hours/ns 28.843 steps/s 2023-02-20 02:37:17,936 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 59.442 -33615 6514.9 -40130 -40130 2.522 3.1922 -0.19733 2.0802e+05 2023-02-20 02:37:19,769 INFO [main.py:643]
{rank 0/100} MD step = 121500 step time: 00:00:00.018120 Performance: 498.427 ns/day 0.048 hours/ns 28.844 steps/s 2023-02-20 02:37:21,103 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 59.894 -33445 6564.4 -40010 -40010 2.5241 3.1935 -0.19793 2.0823e+05 2023-02-20 02:37:22,945 INFO [main.py:643]
{rank 0/100} MD step = 121600 step time: 00:00:00.017872 Performance: 498.461 ns/day 0.048 hours/ns 28.846 steps/s 2023-02-20 02:37:24,367 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 59.43 -33592 6513.7 -40106 -40106 2.5266 3.1962 -0.20026 2.0837e+05 2023-02-20 02:37:26,510 INFO [main.py:643]
{rank 0/100} MD step = 121700 step time: 00:00:00.018289 Performance: 498.449 ns/day 0.048 hours/ns 28.845 steps/s 2023-02-20 02:37:27,771 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 59.965 -33534 6572.2 -40106 -40106 2.5301 3.1964 -0.19988 2.0859e+05 2023-02-20 02:37:29,617 INFO [main.py:643]
{rank 0/100} MD step = 121800 step time: 00:00:00.018399 Performance: 498.492 ns/day 0.048 hours/ns 28.848 steps/s 2023-02-20 02:37:30,805 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 59.262 -33584 6495.1 -40079 -40079 2.534 3.1985 -0.19856 2.0875e+05 2023-02-20 02:37:32,762 INFO [main.py:643]
{rank 0/100} MD step = 121900 step time: 00:00:00.018126 Performance: 498.530 ns/day 0.048 hours/ns 28.850 steps/s 2023-02-20 02:37:34,023 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 60.389 -33510 6618.8 -40128 -40128 2.5378 3.1997 -0.19853 2.0888e+05 2023-02-20 02:37:35,928 INFO [main.py:643]
{rank 0/100} MD step = 122000 step time: 00:00:00.018088 Performance: 498.565 ns/day 0.048 hours/ns 28.852 steps/s 2023-02-20 02:37:37,123 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 60.702 -33543 6653 -40196 -40196 2.5415 3.2019 -0.19759 2.0903e+05 2023-02-20 02:37:39,094 INFO [main.py:643]
{rank 0/100} MD step = 122100 step time: 00:00:00.018597 Performance: 498.601 ns/day 0.048 hours/ns 28.854 steps/s 2023-02-20 02:37:40,374 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 122100 24420 59.735 -33670 6547 -40217 -40217 2.545 3.2036 -0.19811 2.0921e+05 2023-02-20 02:37:42,254 INFO [main.py:643]
{rank 0/100} MD step = 122200 step time: 00:00:00.018083 Performance: 498.636 ns/day 0.048 hours/ns 28.856 steps/s 2023-02-20 02:37:43,080 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 60.409 -33518 6620.9 -40139 -40139 2.5462 3.2051 -0.19792 2.0938e+05 2023-02-20 02:37:45,432 INFO [main.py:643]
{rank 0/100} MD step = 122300 step time: 00:00:00.018093 Performance: 498.670 ns/day 0.048 hours/ns 28.858 steps/s 2023-02-20 02:37:46,644 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 59.453 -33684 6516.2 -40201 -40201 2.5513 3.206 -0.1988 2.0955e+05 2023-02-20 02:37:48,570 INFO [main.py:643]
{rank 0/100} MD step = 122400 step time: 00:00:00.018023 Performance: 498.709 ns/day 0.048 hours/ns 28.860 steps/s 2023-02-20 02:37:49,717 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 60.422 -33493 6622.3 -40116 -40116 2.5557 3.2065 -0.19936 2.0972e+05 2023-02-20 02:37:51,697 INFO [main.py:643]
{rank 0/100} MD step = 122500 step time: 00:00:00.018716 Performance: 498.749 ns/day 0.048 hours/ns 28.863 steps/s 2023-02-20 02:37:52,887 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 59.914 -33543 6566.6 -40110 -40110 2.558 3.2083 -0.19811 2.0987e+05 2023-02-20 02:37:54,811 INFO [main.py:643]
{rank 0/100} MD step = 122600 step time: 00:00:00.019133 Performance: 498.790 ns/day 0.048 hours/ns 28.865 steps/s 2023-02-20 02:37:56,161 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 59.925 -33516 6567.9 -40084 -40084 2.5645 3.2121 -0.19732 2.1009e+05 2023-02-20 02:37:58,002 INFO [main.py:643]
{rank 0/100} MD step = 122700 step time: 00:00:00.018273 Performance: 498.822 ns/day 0.048 hours/ns 28.867 steps/s 2023-02-20 02:37:59,646 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 59.584 -33543 6530.4 -40073 -40073 2.5677 3.2131 -0.19764 2.1023e+05 2023-02-20 02:38:01,548 INFO [main.py:643]
{rank 0/100} MD step = 122800 step time: 00:00:00.018022 Performance: 498.812 ns/day 0.048 hours/ns 28.866 steps/s 2023-02-20 02:38:02,920 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 122800 24560 60.022 -33540 6578.5 -40118 -40118 2.5702 3.2158 -0.19883 2.1039e+05 2023-02-20 02:38:04,853 INFO [main.py:643]
{rank 0/100} MD step = 122900 step time: 00:00:00.018204 Performance: 498.831 ns/day 0.048 hours/ns 28.868 steps/s 2023-02-20 02:38:06,171 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 60.319 -33456 6611 -40067 -40067 2.5719 3.2179 -0.1992 2.1059e+05 2023-02-20 02:38:08,160 INFO [main.py:643]
{rank 0/100} MD step = 123000 step time: 00:00:00.018146 Performance: 498.849 ns/day 0.048 hours/ns 28.869 steps/s 2023-02-20 02:38:09,357 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 60.211 -33608 6599.2 -40208 -40208 2.5741 3.2199 -0.19827 2.1074e+05 2023-02-20 02:38:11,332 INFO [main.py:643]
{rank 0/100} MD step = 123100 step time: 00:00:00.018202 Performance: 498.883 ns/day 0.048 hours/ns 28.871 steps/s 2023-02-20 02:38:12,663 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 59.628 -33444 6535.3 -39979 -39979 2.5754 3.2206 -0.20095 2.1093e+05 2023-02-20 02:38:14,493 INFO [main.py:643]
{rank 0/100} MD step = 123200 step time: 00:00:00.018943 Performance: 498.919 ns/day 0.048 hours/ns 28.873 steps/s 2023-02-20 02:38:15,349 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 59.568 -33628 6528.7 -40157 -40157 2.5767 3.2226 -0.20043 2.1108e+05 2023-02-20 02:38:17,637 INFO [main.py:643]
{rank 0/100} MD step = 123300 step time: 00:00:00.018183 Performance: 498.956 ns/day 0.048 hours/ns 28.875 steps/s 2023-02-20 02:38:18,844 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 59.782 -33611 6552.2 -40163 -40163 2.5791 3.2233 -0.20118 2.1124e+05 2023-02-20 02:38:20,762 INFO [main.py:643]
{rank 0/100} MD step = 123400 step time: 00:00:00.018345 Performance: 498.996 ns/day 0.048 hours/ns 28.877 steps/s 2023-02-20 02:38:21,903 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 60.555 -33485 6637 -40121 -40121 2.5802 3.2247 -0.20197 2.1143e+05 2023-02-20 02:38:23,890 INFO [main.py:643]
{rank 0/100} MD step = 123500 step time: 00:00:00.018085 Performance: 499.035 ns/day 0.048 hours/ns 28.879 steps/s 2023-02-20 02:38:25,173 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 59.928 -33556 6568.2 -40125 -40125 2.5822 3.2263 -0.20207 2.1165e+05 2023-02-20 02:38:27,084 INFO [main.py:643]
{rank 0/100} MD step = 123600 step time: 00:00:00.018011 Performance: 499.066 ns/day 0.048 hours/ns 28.881 steps/s 2023-02-20 02:38:28,300 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 60.592 -33579 6640.9 -40220 -40220 2.584 3.2285 -0.20238 2.1181e+05 2023-02-20 02:38:30,212 INFO [main.py:643]
{rank 0/100} MD step = 123700 step time: 00:00:00.018150 Performance: 499.105 ns/day 0.048 hours/ns 28.883 steps/s 2023-02-20 02:38:31,485 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 60.554 -33439 6636.8 -40076 -40076 2.5874 3.2323 -0.20159 2.12e+05 2023-02-20 02:38:33,370 INFO [main.py:643]
{rank 0/100} MD step = 123800 step time: 00:00:00.018031 Performance: 499.140 ns/day 0.048 hours/ns 28.885 steps/s 2023-02-20 02:38:34,743 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 59.867 -33368 6561.5 -39929 -39929 2.5894 3.2344 -0.20084 2.1222e+05 2023-02-20 02:38:36,610 INFO [main.py:643]
{rank 0/100} MD step = 123900 step time: 00:00:00.018170 Performance: 499.166 ns/day 0.048 hours/ns 28.887 steps/s 2023-02-20 02:38:37,921 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 59.458 -33621 6516.6 -40137 -40137 2.5943 3.2365 -0.20081 2.1239e+05 2023-02-20 02:38:39,846 INFO [main.py:643]
{rank 0/100} MD step = 124000 step time: 00:00:00.024003 Performance: 499.192 ns/day 0.048 hours/ns 28.888 steps/s 2023-02-20 02:38:41,192 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 59.658 -33621 6538.6 -40159 -40159 2.5969 3.2387 -0.19936 2.1254e+05 2023-02-20 02:38:43,040 INFO [main.py:643]
{rank 0/100} MD step = 124100 step time: 00:00:00.018084 Performance: 499.224 ns/day 0.048 hours/ns 28.890 steps/s 2023-02-20 02:38:44,317 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 60.757 -33488 6659 -40147 -40147 2.6008 3.2401 -0.2002 2.1268e+05 2023-02-20 02:38:46,185 INFO [main.py:643]
{rank 0/100} MD step = 124200 step time: 00:00:00.018163 Performance: 499.260 ns/day 0.048 hours/ns 28.892 steps/s 2023-02-20 02:38:47,457 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 60.23 -33565 6601.3 -40166 -40166 2.6045 3.241 -0.19883 2.1285e+05 2023-02-20 02:38:49,298 INFO [main.py:643]
{rank 0/100} MD step = 124300 step time: 00:00:00.018104 Performance: 499.301 ns/day 0.048 hours/ns 28.895 steps/s 2023-02-20 02:38:50,917 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 59.882 -33781 6563.1 -40344 -40344 2.6084 3.2411 -0.19904 2.13e+05 2023-02-20 02:38:52,730 INFO [main.py:643]
{rank 0/100} MD step = 124400 step time: 00:00:00.018185 Performance: 499.304 ns/day 0.048 hours/ns 28.895 steps/s 2023-02-20 02:38:53,995 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 59.86 -33617 6560.7 -40178 -40178 2.6131 3.2411 -0.19974 2.1322e+05 2023-02-20 02:38:55,876 INFO [main.py:643]
{rank 0/100} MD step = 124500 step time: 00:00:00.018233 Performance: 499.341 ns/day 0.048 hours/ns 28.897 steps/s 2023-02-20 02:38:56,972 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 60.713 -33376 6654.3 -40030 -40030 2.6167 3.2421 -0.20005 2.1341e+05 2023-02-20 02:38:59,055 INFO [main.py:643]
{rank 0/100} MD step = 124600 step time: 00:00:00.018011 Performance: 499.373 ns/day 0.048 hours/ns 28.899 steps/s 2023-02-20 02:39:00,330 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 59.479 -33561 6519 -40080 -40080 2.6175 3.2427 -0.20057 2.1357e+05 2023-02-20 02:39:02,213 INFO [main.py:643]
{rank 0/100} MD step = 124700 step time: 00:00:00.018195 Performance: 499.408 ns/day 0.048 hours/ns 28.901 steps/s 2023-02-20 02:39:03,509 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 60.619 -33467 6643.9 -40111 -40111 2.6217 3.244 -0.20001 2.1373e+05 2023-02-20 02:39:05,437 INFO [main.py:643]
{rank 0/100} MD step = 124800 step time: 00:00:00.018182 Performance: 499.435 ns/day 0.048 hours/ns 28.903 steps/s 2023-02-20 02:39:06,720 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 60.274 -33426 6606.1 -40032 -40032 2.6262 3.2451 -0.1995 2.1389e+05 2023-02-20 02:39:08,638 INFO [main.py:643]
{rank 0/100} MD step = 124900 step time: 00:00:00.018096 Performance: 499.465 ns/day 0.048 hours/ns 28.904 steps/s 2023-02-20 02:39:09,925 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 124900 24980 59.567 -33554 6528.6 -40082 -40082 2.6298 3.2471 -0.19878 2.1402e+05 2023-02-20 02:39:11,772 INFO [main.py:643]
{rank 0/100} MD step = 125000 step time: 00:00:00.018021 Performance: 499.503 ns/day 0.048 hours/ns 28.906 steps/s 2023-02-20 02:39:13,107 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 60.827 -33396 6666.7 -40063 -40063 2.6336 3.2491 -0.20011 2.1421e+05 2023-02-20 02:39:15,061 INFO [main.py:643]
{rank 0/100} MD step = 125100 step time: 00:00:00.018184 Performance: 499.523 ns/day 0.048 hours/ns 28.908 steps/s 2023-02-20 02:39:16,302 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 60.107 -33407 6587.8 -39995 -39995 2.6385 3.2517 -0.2015 2.1441e+05 2023-02-20 02:39:18,193 INFO [main.py:643]
{rank 0/100} MD step = 125200 step time: 00:00:00.018029 Performance: 499.560 ns/day 0.048 hours/ns 28.910 steps/s 2023-02-20 02:39:19,436 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 60.933 -33382 6678.3 -40060 -40060 2.6415 3.2532 -0.20087 2.1457e+05 2023-02-20 02:39:21,358 INFO [main.py:643]
{rank 0/100} MD step = 125300 step time: 00:00:00.018083 Performance: 499.594 ns/day 0.048 hours/ns 28.912 steps/s 2023-02-20 02:39:22,524 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 59.607 -33589 6533 -40122 -40122 2.6452 3.2534 -0.20018 2.1473e+05 2023-02-20 02:39:24,497 INFO [main.py:643]
{rank 0/100} MD step = 125400 step time: 00:00:00.018072 Performance: 499.631 ns/day 0.048 hours/ns 28.914 steps/s 2023-02-20 02:39:25,928 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 125400 25080 59.096 -33580 6477 -40057 -40057 2.6504 3.2531 -0.19887 2.1492e+05 2023-02-20 02:39:27,816 INFO [main.py:643]
{rank 0/100} MD step = 125500 step time: 00:00:00.018752 Performance: 499.647 ns/day 0.048 hours/ns 28.915 steps/s 2023-02-20 02:39:29,362 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 59.297 -33563 6499 -40062 -40062 2.654 3.255 -0.1975 2.1508e+05 2023-02-20 02:39:31,355 INFO [main.py:643]
{rank 0/100} MD step = 125600 step time: 00:00:00.023686 Performance: 499.638 ns/day 0.048 hours/ns 28.914 steps/s 2023-02-20 02:39:32,617 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 59.898 -33588 6564.9 -40153 -40153 2.6569 3.2552 -0.19553 2.1527e+05 2023-02-20 02:39:34,579 INFO [main.py:643]
{rank 0/100} MD step = 125700 step time: 00:00:00.018426 Performance: 499.665 ns/day 0.048 hours/ns 28.916 steps/s 2023-02-20 02:39:36,087 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 61.62 -33365 6753.7 -40118 -40118 2.6611 3.2555 -0.19664 2.1545e+05 2023-02-20 02:39:38,052 INFO [main.py:643]
{rank 0/100} MD step = 125800 step time: 00:00:00.017919 Performance: 499.663 ns/day 0.048 hours/ns 28.916 steps/s 2023-02-20 02:39:39,634 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 59.946 -33316 6570.2 -39886 -39886 2.6664 3.2586 -0.19582 2.1565e+05 2023-02-20 02:39:41,480 INFO [main.py:643]
{rank 0/100} MD step = 125900 step time: 00:00:00.018058 Performance: 499.667 ns/day 0.048 hours/ns 28.916 steps/s 2023-02-20 02:39:42,853 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 59.004 -33699 6466.9 -40165 -40165 2.6698 3.2585 -0.19681 2.1577e+05 2023-02-20 02:39:44,673 INFO [main.py:643]
{rank 0/100} MD step = 126000 step time: 00:00:00.018095 Performance: 499.697 ns/day 0.048 hours/ns 28.918 steps/s 2023-02-20 02:39:45,965 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 61.238 -33282 6711.7 -39993 -39993 2.6725 3.2604 -0.19526 2.1596e+05 2023-02-20 02:39:47,863 INFO [main.py:643]
{rank 0/100} MD step = 126100 step time: 00:00:00.018418 Performance: 499.728 ns/day 0.048 hours/ns 28.919 steps/s 2023-02-20 02:39:49,016 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 126100 25220 60.642 -33383 6646.4 -40030 -40030 2.6754 3.2617 -0.19675 2.1614e+05 2023-02-20 02:39:50,972 INFO [main.py:643]
{rank 0/100} MD step = 126200 step time: 00:00:00.017996 Performance: 499.768 ns/day 0.048 hours/ns 28.922 steps/s 2023-02-20 02:39:52,181 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 59.777 -33530 6551.7 -40082 -40082 2.6804 3.2624 -0.19584 2.1627e+05 2023-02-20 02:39:54,341 INFO [main.py:643]
{rank 0/100} MD step = 126300 step time: 00:00:00.018438 Performance: 499.778 ns/day 0.048 hours/ns 28.922 steps/s 2023-02-20 02:39:55,669 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 60.104 -33463 6587.5 -40050 -40050 2.6838 3.2635 -0.19325 2.1644e+05 2023-02-20 02:39:57,596 INFO [main.py:643]
{rank 0/100} MD step = 126400 step time: 00:00:00.018254 Performance: 499.801 ns/day 0.048 hours/ns 28.924 steps/s 2023-02-20 02:39:58,882 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 59.834 -33598 6557.9 -40155 -40155 2.6888 3.2639 -0.19441 2.1658e+05 2023-02-20 02:40:00,805 INFO [main.py:643]
{rank 0/100} MD step = 126500 step time: 00:00:00.018517 Performance: 499.829 ns/day 0.048 hours/ns 28.925 steps/s 2023-02-20 02:40:02,072 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 60.148 -33555 6592.3 -40147 -40147 2.6933 3.2643 -0.19336 2.1675e+05 2023-02-20 02:40:03,974 INFO [main.py:643]
{rank 0/100} MD step = 126600 step time: 00:00:00.018196 Performance: 499.862 ns/day 0.048 hours/ns 28.927 steps/s 2023-02-20 02:40:05,306 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 59.273 -33747 6496.4 -40244 -40244 2.697 3.2677 -0.19096 2.1691e+05 2023-02-20 02:40:07,227 INFO [main.py:643]
{rank 0/100} MD step = 126700 step time: 00:00:00.017978 Performance: 499.886 ns/day 0.048 hours/ns 28.929 steps/s 2023-02-20 02:40:08,559 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 59.608 -33591 6533.1 -40124 -40124 2.7008 3.269 -0.19129 2.1709e+05 2023-02-20 02:40:10,400 INFO [main.py:643]
{rank 0/100} MD step = 126800 step time: 00:00:00.018181 Performance: 499.918 ns/day 0.048 hours/ns 28.930 steps/s 2023-02-20 02:40:12,081 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 60.816 -33581 6665.6 -40247 -40247 2.705 3.2698 -0.19219 2.1725e+05 2023-02-20 02:40:13,996 INFO [main.py:643]
{rank 0/100} MD step = 126900 step time: 00:00:00.018188 Performance: 499.902 ns/day 0.048 hours/ns 28.930 steps/s 2023-02-20 02:40:15,291 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 59.96 -33437 6571.7 -40009 -40009 2.709 3.2716 -0.19136 2.1744e+05 2023-02-20 02:40:17,387 INFO [main.py:643]
{rank 0/100} MD step = 127000 step time: 00:00:00.019645 Performance: 499.910 ns/day 0.048 hours/ns 28.930 steps/s 2023-02-20 02:40:18,817 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 127000 25400 60.268 -33372 6605.5 -39978 -39978 2.71 3.2723 -0.19124 2.176e+05 2023-02-20 02:40:20,658 INFO [main.py:643]
{rank 0/100} MD step = 127100 step time: 00:00:00.017908 Performance: 499.931 ns/day 0.048 hours/ns 28.931 steps/s 2023-02-20 02:40:22,509 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 59.446 -33541 6515.3 -40056 -40056 2.7135 3.2722 -0.19073 2.1778e+05 2023-02-20 02:40:24,510 INFO [main.py:643]
{rank 0/100} MD step = 127200 step time: 00:00:00.018066 Performance: 499.886 ns/day 0.048 hours/ns 28.929 steps/s 2023-02-20 02:40:26,010 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 60.187 -33591 6596.6 -40188 -40188 2.7169 3.2737 -0.19078 2.1792e+05 2023-02-20 02:40:27,902 INFO [main.py:643]
{rank 0/100} MD step = 127300 step time: 00:00:00.024772 Performance: 499.893 ns/day 0.048 hours/ns 28.929 steps/s 2023-02-20 02:40:29,567 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 59.285 -33540 6497.7 -40038 -40038 2.7222 3.2744 -0.19072 2.1813e+05 2023-02-20 02:40:31,765 INFO [main.py:643]
{rank 0/100} MD step = 127400 step time: 00:00:00.018078 Performance: 499.847 ns/day 0.048 hours/ns 28.926 steps/s 2023-02-20 02:40:33,133 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 60.427 -33449 6622.9 -40072 -40072 2.728 3.2744 -0.19101 2.1828e+05 2023-02-20 02:40:35,033 INFO [main.py:643]
{rank 0/100} MD step = 127500 step time: 00:00:00.017923 Performance: 499.869 ns/day 0.048 hours/ns 28.928 steps/s 2023-02-20 02:40:36,376 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 59.649 -33656 6537.6 -40193 -40193 2.7318 3.2733 -0.19198 2.1843e+05 2023-02-20 02:40:38,290 INFO [main.py:643]
{rank 0/100} MD step = 127600 step time: 00:00:00.018063 Performance: 499.891 ns/day 0.048 hours/ns 28.929 steps/s 2023-02-20 02:40:40,014 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 59.846 -33645 6559.2 -40205 -40205 2.7354 3.2738 -0.19144 2.1862e+05 2023-02-20 02:40:41,850 INFO [main.py:643]
{rank 0/100} MD step = 127700 step time: 00:00:00.018158 Performance: 499.879 ns/day 0.048 hours/ns 28.928 steps/s 2023-02-20 02:40:43,075 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 60.339 -33528 6613.3 -40141 -40141 2.74 3.2729 -0.19018 2.1877e+05 2023-02-20 02:40:45,008 INFO [main.py:643]
{rank 0/100} MD step = 127800 step time: 00:00:00.018402 Performance: 499.913 ns/day 0.048 hours/ns 28.930 steps/s 2023-02-20 02:40:46,215 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 127800 25560 59.951 -33625 6570.7 -40196 -40196 2.7451 3.2748 -0.19182 2.1893e+05 2023-02-20 02:40:48,146 INFO [main.py:643]
{rank 0/100} MD step = 127900 step time: 00:00:00.018098 Performance: 499.949 ns/day 0.048 hours/ns 28.932 steps/s 2023-02-20 02:40:49,366 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 59.52 -33691 6523.5 -40214 -40214 2.7494 3.2761 -0.19136 2.1912e+05 2023-02-20 02:40:51,262 INFO [main.py:643]
{rank 0/100} MD step = 128000 step time: 00:00:00.018060 Performance: 499.988 ns/day 0.048 hours/ns 28.934 steps/s 2023-02-20 02:40:52,579 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 60.001 -33467 6576.2 -40043 -40043 2.7525 3.2784 -0.19142 2.1932e+05 2023-02-20 02:40:54,421 INFO [main.py:643]
{rank 0/100} MD step = 128100 step time: 00:00:00.018860 Performance: 500.021 ns/day 0.048 hours/ns 28.936 steps/s 2023-02-20 02:40:55,698 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 59.396 -33530 6509.9 -40040 -40040 2.7566 3.2808 -0.19304 2.195e+05 2023-02-20 02:40:57,598 INFO [main.py:643]
{rank 0/100} MD step = 128200 step time: 00:00:00.018040 Performance: 500.053 ns/day 0.048 hours/ns 28.938 steps/s 2023-02-20 02:40:58,916 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 59.689 -33351 6542 -39893 -39893 2.7613 3.2816 -0.19304 2.1966e+05 2023-02-20 02:41:00,774 INFO [main.py:643]
{rank 0/100} MD step = 128300 step time: 00:00:00.018257 Performance: 500.084 ns/day 0.048 hours/ns 28.940 steps/s 2023-02-20 02:41:02,108 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 59.596 -33659 6531.8 -40191 -40191 2.7653 3.2824 -0.19125 2.1978e+05 2023-02-20 02:41:04,047 INFO [main.py:643]
{rank 0/100} MD step = 128400 step time: 00:00:00.019654 Performance: 500.105 ns/day 0.048 hours/ns 28.941 steps/s 2023-02-20 02:41:05,325 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 60.326 -33520 6611.8 -40132 -40132 2.7699 3.285 -0.19095 2.1996e+05 2023-02-20 02:41:07,836 INFO [main.py:643]
{rank 0/100} MD step = 128500 step time: 00:00:00.018054 Performance: 500.067 ns/day 0.048 hours/ns 28.939 steps/s 2023-02-20 02:41:09,272 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 59.456 -33604 6516.4 -40121 -40121 2.774 3.284 -0.19225 2.2011e+05 2023-02-20 02:41:11,255 INFO [main.py:643]
{rank 0/100} MD step = 128600 step time: 00:00:00.018078 Performance: 500.071 ns/day 0.048 hours/ns 28.939 steps/s 2023-02-20 02:41:12,595 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 59.807 -33527 6554.9 -40082 -40082 2.7775 3.2852 -0.19376 2.2029e+05 2023-02-20 02:41:14,627 INFO [main.py:643]
{rank 0/100} MD step = 128700 step time: 00:00:00.018715 Performance: 500.081 ns/day 0.048 hours/ns 28.940 steps/s 2023-02-20 02:41:16,002 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 60.009 -33549 6577.1 -40127 -40127 2.7808 3.288 -0.19628 2.2047e+05 2023-02-20 02:41:17,845 INFO [main.py:643]
{rank 0/100} MD step = 128800 step time: 00:00:00.018355 Performance: 500.108 ns/day 0.048 hours/ns 28.941 steps/s 2023-02-20 02:41:19,303 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 59.119 -33759 6479.6 -40239 -40239 2.7857 3.2886 -0.19684 2.2064e+05 2023-02-20 02:41:21,149 INFO [main.py:643]
{rank 0/100} MD step = 128900 step time: 00:00:00.018208 Performance: 500.124 ns/day 0.048 hours/ns 28.942 steps/s 2023-02-20 02:41:22,517 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 60.348 -33407 6614.2 -40021 -40021 2.7909 3.29 -0.19771 2.2086e+05 2023-02-20 02:41:24,495 INFO [main.py:643]
{rank 0/100} MD step = 129000 step time: 00:00:00.018079 Performance: 500.137 ns/day 0.048 hours/ns 28.943 steps/s 2023-02-20 02:41:25,673 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 60.131 -33368 6590.4 -39958 -39958 2.7954 3.291 -0.19801 2.2103e+05 2023-02-20 02:41:27,718 INFO [main.py:643]
{rank 0/100} MD step = 129100 step time: 00:00:00.018177 Performance: 500.163 ns/day 0.048 hours/ns 28.945 steps/s 2023-02-20 02:41:28,979 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 60.01 -33693 6577.2 -40271 -40271 2.7994 3.2924 -0.19955 2.2116e+05 2023-02-20 02:41:30,927 INFO [main.py:643]
{rank 0/100} MD step = 129200 step time: 00:00:00.019927 Performance: 500.190 ns/day 0.048 hours/ns 28.946 steps/s 2023-02-20 02:41:32,361 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 59.519 -33629 6523.3 -40152 -40152 2.8017 3.2924 -0.19963 2.2134e+05 2023-02-20 02:41:34,290 INFO [main.py:643]
{rank 0/100} MD step = 129300 step time: 00:00:00.017980 Performance: 500.201 ns/day 0.048 hours/ns 28.947 steps/s 2023-02-20 02:41:35,739 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 60.197 -33576 6597.6 -40174 -40174 2.807 3.2925 -0.20047 2.2151e+05 2023-02-20 02:41:37,632 INFO [main.py:643]
{rank 0/100} MD step = 129400 step time: 00:00:00.018638 Performance: 500.213 ns/day 0.048 hours/ns 28.948 steps/s 2023-02-20 02:41:38,894 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 60.688 -33538 6651.5 -40189 -40189 2.811 3.2929 -0.19906 2.2167e+05 2023-02-20 02:41:40,764 INFO [main.py:643]
{rank 0/100} MD step = 129500 step time: 00:00:00.017991 Performance: 500.249 ns/day 0.048 hours/ns 28.950 steps/s 2023-02-20 02:41:42,067 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 59.725 -33474 6545.9 -40020 -40020 2.8141 3.2927 -0.20089 2.2187e+05 2023-02-20 02:41:43,929 INFO [main.py:643]
{rank 0/100} MD step = 129600 step time: 00:00:00.018327 Performance: 500.282 ns/day 0.048 hours/ns 28.951 steps/s 2023-02-20 02:41:45,269 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 59.603 -33556 6532.6 -40089 -40089 2.8173 3.2936 -0.19898 2.2203e+05 2023-02-20 02:41:47,208 INFO [main.py:643]
{rank 0/100} MD step = 129700 step time: 00:00:00.018028 Performance: 500.301 ns/day 0.048 hours/ns 28.953 steps/s 2023-02-20 02:41:48,671 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 60.233 -33646 6601.6 -40248 -40248 2.821 3.2945 -0.19858 2.2219e+05 2023-02-20 02:41:50,507 INFO [main.py:643]
{rank 0/100} MD step = 129800 step time: 00:00:00.017915 Performance: 500.318 ns/day 0.048 hours/ns 28.954 steps/s 2023-02-20 02:41:51,926 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 129800 25960 59.939 -33436 6569.3 -40005 -40005 2.8248 3.2961 -0.19814 2.2239e+05 2023-02-20 02:41:53,827 INFO [main.py:643]
{rank 0/100} MD step = 129900 step time: 00:00:00.018096 Performance: 500.333 ns/day 0.048 hours/ns 28.954 steps/s 2023-02-20 02:41:55,108 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 60.689 -33565 6651.5 -40217 -40217 2.8291 3.2995 -0.19696 2.2254e+05 2023-02-20 02:41:57,001 INFO [main.py:643]
{rank 0/100} MD step = 130000 step time: 00:00:00.018494 Performance: 500.364 ns/day 0.048 hours/ns 28.956 steps/s 2023-02-20 02:41:58,225 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 60.877 -33643 6672.1 -40316 -40316 2.8348 3.3 -0.19571 2.2273e+05 2023-02-20 02:42:00,172 INFO [main.py:643]
{rank 0/100} MD step = 130100 step time: 00:00:00.018258 Performance: 500.396 ns/day 0.048 hours/ns 28.958 steps/s 2023-02-20 02:42:01,079 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 130100 26020 60.022 -33487 6578.5 -40066 -40066 2.8399 3.3005 -0.19415 2.2291e+05 2023-02-20 02:42:03,445 INFO [main.py:643]
{rank 0/100} MD step = 130200 step time: 00:00:00.018065 Performance: 500.416 ns/day 0.048 hours/ns 28.959 steps/s 2023-02-20 02:42:04,738 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 130200 26040 60.821 -33322 6666.1 -39988 -39988 2.8458 3.301 -0.1946 2.231e+05 2023-02-20 02:42:06,657 INFO [main.py:643]
{rank 0/100} MD step = 130300 step time: 00:00:00.018295 Performance: 500.443 ns/day 0.048 hours/ns 28.961 steps/s 2023-02-20 02:42:08,002 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 130300 26060 60.326 -33558 6611.8 -40169 -40169 2.8498 3.3006 -0.19336 2.2325e+05 2023-02-20 02:42:09,955 INFO [main.py:643]
{rank 0/100} MD step = 130400 step time: 00:00:00.018134 Performance: 500.460 ns/day 0.048 hours/ns 28.962 steps/s 2023-02-20 02:42:11,542 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 60.207 -33468 6598.7 -40067 -40067 2.8553 3.3026 -0.19375 2.2344e+05 2023-02-20 02:42:13,383 INFO [main.py:643]
{rank 0/100} MD step = 130500 step time: 00:00:00.018030 Performance: 500.463 ns/day 0.048 hours/ns 28.962 steps/s 2023-02-20 02:42:14,768 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 60.552 -33580 6636.6 -40216 -40216 2.8599 3.3046 -0.1922 2.2362e+05 2023-02-20 02:42:16,612 INFO [main.py:643]
{rank 0/100} MD step = 130600 step time: 00:00:00.018070 Performance: 500.488 ns/day 0.048 hours/ns 28.963 steps/s 2023-02-20 02:42:17,965 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 130600 26120 59.382 -33670 6508.4 -40178 -40178 2.8637 3.3064 -0.1927 2.238e+05 2023-02-20 02:42:19,787 INFO [main.py:643]
{rank 0/100} MD step = 130700 step time: 00:00:00.018105 Performance: 500.518 ns/day 0.048 hours/ns 28.965 steps/s 2023-02-20 02:42:21,166 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 60.632 -33510 6645.3 -40155 -40155 2.8665 3.3055 -0.19384 2.2394e+05 2023-02-20 02:42:23,040 INFO [main.py:643]
{rank 0/100} MD step = 130800 step time: 00:00:00.018128 Performance: 500.540 ns/day 0.048 hours/ns 28.966 steps/s 2023-02-20 02:42:24,373 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 59.165 -33580 6484.6 -40065 -40065 2.8708 3.307 -0.19352 2.2412e+05 2023-02-20 02:42:26,237 INFO [main.py:643]
{rank 0/100} MD step = 130900 step time: 00:00:00.018153 Performance: 500.569 ns/day 0.048 hours/ns 28.968 steps/s 2023-02-20 02:42:28,140 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 59.432 -33492 6513.8 -40005 -40005 2.8774 3.3078 -0.19458 2.2432e+05 2023-02-20 02:42:30,033 INFO [main.py:643]
{rank 0/100} MD step = 131000 step time: 00:00:00.018143 Performance: 500.531 ns/day 0.048 hours/ns 28.966 steps/s 2023-02-20 02:42:31,254 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 60.866 -33560 6671 -40231 -40231 2.8818 3.3094 -0.19439 2.2445e+05 2023-02-20 02:42:33,424 INFO [main.py:643]
{rank 0/100} MD step = 131100 step time: 00:00:00.018569 Performance: 500.538 ns/day 0.048 hours/ns 28.966 steps/s 2023-02-20 02:42:34,776 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 59.818 -33386 6556.1 -39942 -39942 2.8874 3.31 -0.19466 2.2464e+05 2023-02-20 02:42:36,690 INFO [main.py:643]
{rank 0/100} MD step = 131200 step time: 00:00:00.018287 Performance: 500.558 ns/day 0.048 hours/ns 28.967 steps/s 2023-02-20 02:42:37,997 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 60.296 -33423 6608.5 -40032 -40032 2.8926 3.3116 -0.19357 2.248e+05 2023-02-20 02:42:39,904 INFO [main.py:643]
{rank 0/100} MD step = 131300 step time: 00:00:00.018210 Performance: 500.584 ns/day 0.048 hours/ns 28.969 steps/s 2023-02-20 02:42:41,380 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 131300 26260 60.394 -33482 6619.2 -40101 -40101 2.8988 3.3121 -0.19363 2.2495e+05 2023-02-20 02:42:43,291 INFO [main.py:643]
{rank 0/100} MD step = 131400 step time: 00:00:00.017909 Performance: 500.592 ns/day 0.048 hours/ns 28.969 steps/s 2023-02-20 02:42:44,644 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 60.534 -33573 6634.6 -40207 -40207 2.9025 3.3134 -0.19325 2.2513e+05 2023-02-20 02:42:46,526 INFO [main.py:643]
{rank 0/100} MD step = 131500 step time: 00:00:00.018656 Performance: 500.615 ns/day 0.048 hours/ns 28.971 steps/s 2023-02-20 02:42:47,706 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 59.308 -33636 6500.2 -40136 -40136 2.906 3.3144 -0.1942 2.2529e+05 2023-02-20 02:42:49,716 INFO [main.py:643]
{rank 0/100} MD step = 131600 step time: 00:00:00.018105 Performance: 500.644 ns/day 0.048 hours/ns 28.972 steps/s 2023-02-20 02:42:51,103 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 60.089 -33503 6585.8 -40089 -40089 2.9095 3.3151 -0.19319 2.2547e+05 2023-02-20 02:42:53,160 INFO [main.py:643]
{rank 0/100} MD step = 131700 step time: 00:00:00.017960 Performance: 500.645 ns/day 0.048 hours/ns 28.973 steps/s 2023-02-20 02:42:54,470 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 60.561 -33471 6637.6 -40108 -40108 2.9151 3.3163 -0.19293 2.2563e+05 2023-02-20 02:42:56,381 INFO [main.py:643]
{rank 0/100} MD step = 131800 step time: 00:00:00.017944 Performance: 500.671 ns/day 0.048 hours/ns 28.974 steps/s 2023-02-20 02:42:57,698 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 59.184 -33638 6486.7 -40124 -40124 2.919 3.3166 -0.19476 2.2583e+05 2023-02-20 02:42:59,623 INFO [main.py:643]
{rank 0/100} MD step = 131900 step time: 00:00:00.018154 Performance: 500.694 ns/day 0.048 hours/ns 28.975 steps/s 2023-02-20 02:43:00,779 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 131900 26380 61.422 -33355 6731.9 -40087 -40087 2.9231 3.3187 -0.19438 2.2602e+05 2023-02-20 02:43:02,685 INFO [main.py:643]
{rank 0/100} MD step = 132000 step time: 00:00:00.018024 Performance: 500.736 ns/day 0.048 hours/ns 28.978 steps/s 2023-02-20 02:43:04,015 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 60.462 -33545 6626.7 -40172 -40172 2.9287 3.3212 -0.19457 2.2618e+05 2023-02-20 02:43:05,870 INFO [main.py:643]
{rank 0/100} MD step = 132100 step time: 00:00:00.018236 Performance: 500.766 ns/day 0.048 hours/ns 28.979 steps/s 2023-02-20 02:43:07,091 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 59.446 -33587 6515.3 -40102 -40102 2.9355 3.3226 -0.19392 2.2632e+05 2023-02-20 02:43:09,024 INFO [main.py:643]
{rank 0/100} MD step = 132200 step time: 00:00:00.018136 Performance: 500.798 ns/day 0.048 hours/ns 28.981 steps/s 2023-02-20 02:43:10,357 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 60.422 -33401 6622.3 -40024 -40024 2.9398 3.3234 -0.19447 2.2651e+05 2023-02-20 02:43:12,223 INFO [main.py:643]
{rank 0/100} MD step = 132300 step time: 00:00:00.018109 Performance: 500.826 ns/day 0.048 hours/ns 28.983 steps/s 2023-02-20 02:43:13,444 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 59.901 -33730 6565.2 -40295 -40295 2.9445 3.3236 -0.19407 2.2664e+05 2023-02-20 02:43:15,340 INFO [main.py:643]
{rank 0/100} MD step = 132400 step time: 00:00:00.018037 Performance: 500.862 ns/day 0.048 hours/ns 28.985 steps/s 2023-02-20 02:43:16,634 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 60.847 -33425 6668.9 -40094 -40094 2.9475 3.3242 -0.19567 2.2685e+05 2023-02-20 02:43:18,560 INFO [main.py:643]
{rank 0/100} MD step = 132500 step time: 00:00:00.018169 Performance: 500.888 ns/day 0.048 hours/ns 28.987 steps/s 2023-02-20 02:43:20,169 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 132500 26500 61.009 -33260 6686.7 -39946 -39946 2.9521 3.3259 -0.1958 2.2703e+05 2023-02-20 02:43:22,006 INFO [main.py:643]
{rank 0/100} MD step = 132600 step time: 00:00:00.018066 Performance: 500.888 ns/day 0.048 hours/ns 28.987 steps/s 2023-02-20 02:43:29,844 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 59.97 -33497 6572.7 -40069 -40069 2.955 3.3266 -0.19393 2.2719e+05 2023-02-20 02:43:32,355 INFO [main.py:643]
{rank 0/100} MD step = 132700 step time: 00:00:00.018127 Performance: 500.134 ns/day 0.048 hours/ns 28.943 steps/s 2023-02-20 02:43:33,816 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 60.949 -33503 6680.1 -40184 -40184 2.9617 3.3273 -0.19373 2.2735e+05 2023-02-20 02:43:35,638 INFO [main.py:643]
{rank 0/100} MD step = 132800 step time: 00:00:00.018081 Performance: 500.153 ns/day 0.048 hours/ns 28.944 steps/s 2023-02-20 02:43:38,047 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 60.448 -33506 6625.2 -40131 -40131 2.9659 3.3281 -0.19346 2.2755e+05 2023-02-20 02:43:39,878 INFO [main.py:643]
{rank 0/100} MD step = 132900 step time: 00:00:00.018542 Performance: 500.067 ns/day 0.048 hours/ns 28.939 steps/s 2023-02-20 02:43:41,789 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 132900 26580 59.228 -33604 6491.5 -40096 -40096 2.9732 3.3286 -0.19301 2.2771e+05 2023-02-20 02:43:43,603 INFO [main.py:643]
{rank 0/100} MD step = 133000 step time: 00:00:00.018107 Performance: 500.038 ns/day 0.048 hours/ns 28.937 steps/s 2023-02-20 02:43:44,979 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 133000 26600 59.894 -33614 6564.4 -40179 -40179 2.9794 3.33 -0.19425 2.2787e+05 2023-02-20 02:43:46,794 INFO [main.py:643]
{rank 0/100} MD step = 133100 step time: 00:00:00.018115 Performance: 500.067 ns/day 0.048 hours/ns 28.939 steps/s 2023-02-20 02:43:47,982 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 133100 26620 59.533 -33491 6524.9 -40015 -40015 2.9841 3.3309 -0.19523 2.2801e+05 2023-02-20 02:43:49,967 INFO [main.py:643]
{rank 0/100} MD step = 133200 step time: 00:00:00.018340 Performance: 500.098 ns/day 0.048 hours/ns 28.941 steps/s 2023-02-20 02:43:51,396 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 60.096 -33504 6586.6 -40091 -40091 2.9914 3.3313 -0.19488 2.2817e+05 2023-02-20 02:43:53,258 INFO [main.py:643]
{rank 0/100} MD step = 133300 step time: 00:00:00.018273 Performance: 500.115 ns/day 0.048 hours/ns 28.942 steps/s 2023-02-20 02:43:54,542 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 133300 26660 59.617 -33640 6534.2 -40174 -40174 2.9955 3.3322 -0.19441 2.2832e+05 2023-02-20 02:43:56,432 INFO [main.py:643]
{rank 0/100} MD step = 133400 step time: 00:00:00.018057 Performance: 500.146 ns/day 0.048 hours/ns 28.944 steps/s 2023-02-20 02:43:57,781 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 59.747 -33397 6548.4 -39946 -39946 2.9989 3.3319 -0.19658 2.2853e+05 2023-02-20 02:43:59,627 INFO [main.py:643]
{rank 0/100} MD step = 133500 step time: 00:00:00.018318 Performance: 500.174 ns/day 0.048 hours/ns 28.945 steps/s 2023-02-20 02:44:00,797 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 59.643 -33604 6536.9 -40141 -40141 3.0032 3.3347 -0.1975 2.2868e+05 2023-02-20 02:44:02,759 INFO [main.py:643]
{rank 0/100} MD step = 133600 step time: 00:00:00.018225 Performance: 500.209 ns/day 0.048 hours/ns 28.947 steps/s 2023-02-20 02:44:04,069 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 60.963 -33466 6681.6 -40148 -40148 3.0084 3.336 -0.19794 2.2883e+05 2023-02-20 02:44:05,985 INFO [main.py:643]
{rank 0/100} MD step = 133700 step time: 00:00:00.018111 Performance: 500.234 ns/day 0.048 hours/ns 28.949 steps/s 2023-02-20 02:44:07,279 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 133700 26740 59.982 -33516 6574.2 -40090 -40090 3.013 3.3374 -0.19757 2.2903e+05 2023-02-20 02:44:09,165 INFO [main.py:643]
{rank 0/100} MD step = 133800 step time: 00:00:00.018595 Performance: 500.264 ns/day 0.048 hours/ns 28.950 steps/s 2023-02-20 02:44:10,365 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 60.013 -33479 6577.5 -40057 -40057 3.0152 3.3391 -0.19776 2.2921e+05 2023-02-20 02:44:12,293 INFO [main.py:643]
{rank 0/100} MD step = 133900 step time: 00:00:00.018289 Performance: 500.299 ns/day 0.048 hours/ns 28.952 steps/s 2023-02-20 02:44:13,557 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 60.302 -33474 6609.2 -40083 -40083 3.0207 3.3404 -0.19761 2.2937e+05 2023-02-20 02:44:15,479 INFO [main.py:643]
{rank 0/100} MD step = 134000 step time: 00:00:00.017975 Performance: 500.328 ns/day 0.048 hours/ns 28.954 steps/s 2023-02-20 02:44:16,821 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 60.475 -33483 6628.1 -40111 -40111 3.0255 3.3423 -0.19788 2.2952e+05 2023-02-20 02:44:18,671 INFO [main.py:643]
{rank 0/100} MD step = 134100 step time: 00:00:00.017967 Performance: 500.356 ns/day 0.048 hours/ns 28.956 steps/s 2023-02-20 02:44:19,883 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 59.75 -33582 6548.7 -40131 -40131 3.0298 3.344 -0.19786 2.2972e+05 2023-02-20 02:44:21,837 INFO [main.py:643]
{rank 0/100} MD step = 134200 step time: 00:00:00.017882 Performance: 500.387 ns/day 0.048 hours/ns 28.958 steps/s 2023-02-20 02:44:23,124 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 61.418 -33391 6731.4 -40123 -40123 3.037 3.3451 -0.19868 2.2988e+05 2023-02-20 02:44:24,971 INFO [main.py:643]
{rank 0/100} MD step = 134300 step time: 00:00:00.018476 Performance: 500.422 ns/day 0.048 hours/ns 28.960 steps/s 2023-02-20 02:44:26,160 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 59.722 -33598 6545.6 -40143 -40143 3.0434 3.3456 -0.19788 2.3005e+05 2023-02-20 02:44:28,146 INFO [main.py:643]
{rank 0/100} MD step = 134400 step time: 00:00:00.018177 Performance: 500.452 ns/day 0.048 hours/ns 28.961 steps/s 2023-02-20 02:44:29,374 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 134400 26880 60.591 -33489 6640.9 -40130 -40130 3.0466 3.3484 -0.19643 2.3027e+05 2023-02-20 02:44:31,284 INFO [main.py:643]
{rank 0/100} MD step = 134500 step time: 00:00:00.018028 Performance: 500.486 ns/day 0.048 hours/ns 28.963 steps/s 2023-02-20 02:44:32,124 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 59.941 -33591 6569.6 -40160 -40160 3.0525 3.3499 -0.19784 2.3041e+05 2023-02-20 02:44:34,549 INFO [main.py:643]
{rank 0/100} MD step = 134600 step time: 00:00:00.017970 Performance: 500.506 ns/day 0.048 hours/ns 28.964 steps/s 2023-02-20 02:44:35,842 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 59.45 -33680 6515.8 -40196 -40196 3.0578 3.3515 -0.19778 2.3057e+05 2023-02-20 02:44:37,756 INFO [main.py:643]
{rank 0/100} MD step = 134700 step time: 00:00:00.018256 Performance: 500.532 ns/day 0.048 hours/ns 28.966 steps/s 2023-02-20 02:44:39,140 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 134700 26940 60.005 -33577 6576.6 -40153 -40153 3.0623 3.3513 -0.1971 2.3073e+05 2023-02-20 02:44:41,102 INFO [main.py:643]
{rank 0/100} MD step = 134800 step time: 00:00:00.018169 Performance: 500.544 ns/day 0.048 hours/ns 28.967 steps/s 2023-02-20 02:44:42,378 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 59.532 -33561 6524.8 -40086 -40086 3.0669 3.3525 -0.19799 2.309e+05 2023-02-20 02:44:44,280 INFO [main.py:643]
{rank 0/100} MD step = 134900 step time: 00:00:00.019317 Performance: 500.573 ns/day 0.048 hours/ns 28.968 steps/s 2023-02-20 02:44:45,865 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 59.646 -33608 6537.3 -40145 -40145 3.0716 3.355 -0.19729 2.3108e+05 2023-02-20 02:44:47,796 INFO [main.py:643]
{rank 0/100} MD step = 135000 step time: 00:00:00.018069 Performance: 500.566 ns/day 0.048 hours/ns 28.968 steps/s 2023-02-20 02:44:49,094 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 60.107 -33582 6587.8 -40169 -40169 3.0742 3.3554 -0.19873 2.3122e+05 2023-02-20 02:44:50,982 INFO [main.py:643]
{rank 0/100} MD step = 135100 step time: 00:00:00.018347 Performance: 500.595 ns/day 0.048 hours/ns 28.970 steps/s 2023-02-20 02:44:52,237 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 59.06 -33734 6473 -40207 -40207 3.0794 3.3567 -0.19762 2.3141e+05 2023-02-20 02:44:54,301 INFO [main.py:643]
{rank 0/100} MD step = 135200 step time: 00:00:00.018177 Performance: 500.609 ns/day 0.048 hours/ns 28.970 steps/s 2023-02-20 02:44:55,560 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 60.611 -33529 6643 -40172 -40172 3.0823 3.3571 -0.19687 2.3158e+05 2023-02-20 02:44:57,482 INFO [main.py:643]
{rank 0/100} MD step = 135300 step time: 00:00:00.018066 Performance: 500.638 ns/day 0.048 hours/ns 28.972 steps/s 2023-02-20 02:44:58,689 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 59.84 -33454 6558.5 -40013 -40013 3.0849 3.3592 -0.196 2.3178e+05 2023-02-20 02:45:00,661 INFO [main.py:643]
{rank 0/100} MD step = 135400 step time: 00:00:00.018166 Performance: 500.667 ns/day 0.048 hours/ns 28.974 steps/s 2023-02-20 02:45:02,028 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 59.576 -33586 6529.6 -40116 -40116 3.0888 3.36 -0.19565 2.3195e+05 2023-02-20 02:45:03,871 INFO [main.py:643]
{rank 0/100} MD step = 135500 step time: 00:00:00.018149 Performance: 500.693 ns/day 0.048 hours/ns 28.975 steps/s 2023-02-20 02:45:05,149 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 60.141 -33559 6591.6 -40151 -40151 3.095 3.3631 -0.19431 2.3212e+05 2023-02-20 02:45:07,115 INFO [main.py:643]
{rank 0/100} MD step = 135600 step time: 00:00:00.017945 Performance: 500.715 ns/day 0.048 hours/ns 28.977 steps/s 2023-02-20 02:45:09,233 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 135600 27120 60.838 -33562 6667.9 -40230 -40230 3.0999 3.365 -0.1923 2.3227e+05 2023-02-20 02:45:11,168 INFO [main.py:643]
{rank 0/100} MD step = 135700 step time: 00:00:00.022750 Performance: 500.651 ns/day 0.048 hours/ns 28.973 steps/s 2023-02-20 02:45:12,934 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 60.049 -33554 6581.4 -40136 -40136 3.1051 3.3656 -0.19304 2.325e+05 2023-02-20 02:45:14,792 INFO [main.py:643]
{rank 0/100} MD step = 135800 step time: 00:00:00.018134 Performance: 500.632 ns/day 0.048 hours/ns 28.972 steps/s 2023-02-20 02:45:16,255 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 60.99 -33463 6684.5 -40148 -40148 3.1092 3.3666 -0.19418 2.3266e+05 2023-02-20 02:45:18,215 INFO [main.py:643]
{rank 0/100} MD step = 135900 step time: 00:00:00.018161 Performance: 500.636 ns/day 0.048 hours/ns 28.972 steps/s 2023-02-20 02:45:19,457 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 60.743 -33557 6657.5 -40215 -40215 3.1146 3.3692 -0.1942 2.3286e+05 2023-02-20 02:45:21,386 INFO [main.py:643]
{rank 0/100} MD step = 136000 step time: 00:00:00.018249 Performance: 500.666 ns/day 0.048 hours/ns 28.974 steps/s 2023-02-20 02:45:22,665 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 59.985 -33506 6574.4 -40081 -40081 3.1185 3.37 -0.19407 2.3302e+05 2023-02-20 02:45:24,584 INFO [main.py:643]
{rank 0/100} MD step = 136100 step time: 00:00:00.018151 Performance: 500.693 ns/day 0.048 hours/ns 28.975 steps/s 2023-02-20 02:45:26,037 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 59.602 -33624 6532.4 -40157 -40157 3.1251 3.3717 -0.19407 2.332e+05 2023-02-20 02:45:27,904 INFO [main.py:643]
{rank 0/100} MD step = 136200 step time: 00:00:00.019661 Performance: 500.706 ns/day 0.048 hours/ns 28.976 steps/s 2023-02-20 02:45:29,276 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 136200 27240 59.919 -33557 6567.2 -40125 -40125 3.1321 3.3755 -0.19407 2.3338e+05 2023-02-20 02:45:31,191 INFO [main.py:643]
{rank 0/100} MD step = 136300 step time: 00:00:00.018241 Performance: 500.724 ns/day 0.048 hours/ns 28.977 steps/s 2023-02-20 02:45:32,447 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 59.787 -33462 6552.7 -40015 -40015 3.1367 3.378 -0.19494 2.3356e+05 2023-02-20 02:45:34,393 INFO [main.py:643]
{rank 0/100} MD step = 136400 step time: 00:00:00.018234 Performance: 500.750 ns/day 0.048 hours/ns 28.979 steps/s 2023-02-20 02:45:35,710 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 59.761 -33692 6549.9 -40242 -40242 3.1432 3.379 -0.19496 2.3371e+05 2023-02-20 02:45:37,586 INFO [main.py:643]
{rank 0/100} MD step = 136500 step time: 00:00:00.018162 Performance: 500.778 ns/day 0.048 hours/ns 28.980 steps/s 2023-02-20 02:45:38,900 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 60.042 -33579 6580.7 -40159 -40159 3.1495 3.3826 -0.1949 2.3388e+05 2023-02-20 02:45:40,772 INFO [main.py:643]
{rank 0/100} MD step = 136600 step time: 00:00:00.018145 Performance: 500.806 ns/day 0.048 hours/ns 28.982 steps/s 2023-02-20 02:45:41,916 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 136600 27320 60.436 -33512 6623.9 -40136 -40136 3.1548 3.385 -0.19419 2.3407e+05 2023-02-20 02:45:43,886 INFO [main.py:643]
{rank 0/100} MD step = 136700 step time: 00:00:00.018460 Performance: 500.842 ns/day 0.048 hours/ns 28.984 steps/s 2023-02-20 02:45:45,179 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 60.044 -33514 6580.9 -40095 -40095 3.1594 3.3874 -0.19548 2.3424e+05 2023-02-20 02:45:46,996 INFO [main.py:643]
{rank 0/100} MD step = 136800 step time: 00:00:00.018069 Performance: 500.878 ns/day 0.048 hours/ns 28.986 steps/s 2023-02-20 02:45:48,342 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 136800 27360 60.079 -33526 6584.7 -40111 -40111 3.1643 3.3886 -0.19502 2.3441e+05 2023-02-20 02:45:50,199 INFO [main.py:643]
{rank 0/100} MD step = 136900 step time: 00:00:00.018226 Performance: 500.904 ns/day 0.048 hours/ns 28.988 steps/s 2023-02-20 02:45:51,592 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 59.59 -33666 6531.2 -40197 -40197 3.1697 3.3896 -0.19685 2.3456e+05 2023-02-20 02:45:53,416 INFO [main.py:643]
{rank 0/100} MD step = 137000 step time: 00:00:00.018311 Performance: 500.929 ns/day 0.048 hours/ns 28.989 steps/s 2023-02-20 02:45:54,770 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 60.149 -33460 6592.4 -40052 -40052 3.1765 3.3909 -0.19528 2.3471e+05 2023-02-20 02:45:56,586 INFO [main.py:643]
{rank 0/100} MD step = 137100 step time: 00:00:00.018313 Performance: 500.958 ns/day 0.048 hours/ns 28.991 steps/s 2023-02-20 02:45:57,814 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 59.784 -33599 6552.4 -40152 -40152 3.1804 3.3922 -0.19582 2.3489e+05 2023-02-20 02:45:59,737 INFO [main.py:643]
{rank 0/100} MD step = 137200 step time: 00:00:00.018406 Performance: 500.990 ns/day 0.048 hours/ns 28.992 steps/s 2023-02-20 02:46:00,975 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 60.225 -33459 6600.7 -40060 -40060 3.1852 3.3926 -0.19616 2.351e+05 2023-02-20 02:46:02,883 INFO [main.py:643]
{rank 0/100} MD step = 137300 step time: 00:00:00.018176 Performance: 501.022 ns/day 0.048 hours/ns 28.994 steps/s 2023-02-20 02:46:04,168 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 137300 27460 59.575 -33584 6529.5 -40114 -40114 3.1909 3.3942 -0.19527 2.3528e+05 2023-02-20 02:46:06,081 INFO [main.py:643]
{rank 0/100} MD step = 137400 step time: 00:00:00.018216 Performance: 501.048 ns/day 0.048 hours/ns 28.996 steps/s 2023-02-20 02:46:07,363 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 60.022 -33578 6578.5 -40157 -40157 3.1925 3.3936 -0.19653 2.3545e+05 2023-02-20 02:46:09,249 INFO [main.py:643]
{rank 0/100} MD step = 137500 step time: 00:00:00.018386 Performance: 501.078 ns/day 0.048 hours/ns 28.998 steps/s 2023-02-20 02:46:10,541 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 137500 27500 60.664 -33431 6648.8 -40080 -40080 3.1976 3.3946 -0.19497 2.3563e+05 2023-02-20 02:46:12,518 INFO [main.py:643]
{rank 0/100} MD step = 137600 step time: 00:00:00.019941 Performance: 501.097 ns/day 0.048 hours/ns 28.999 steps/s 2023-02-20 02:46:13,927 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 60.275 -33564 6606.2 -40170 -40170 3.2035 3.3963 -0.19317 2.3575e+05 2023-02-20 02:46:15,812 INFO [main.py:643]
{rank 0/100} MD step = 137700 step time: 00:00:00.018105 Performance: 501.113 ns/day 0.048 hours/ns 29.000 steps/s 2023-02-20 02:46:17,069 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 59.164 -33712 6484.5 -40197 -40197 3.2098 3.3978 -0.19253 2.3589e+05 2023-02-20 02:46:18,979 INFO [main.py:643]
{rank 0/100} MD step = 137800 step time: 00:00:00.017945 Performance: 501.143 ns/day 0.048 hours/ns 29.001 steps/s 2023-02-20 02:46:20,393 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 60.359 -33525 6615.4 -40140 -40140 3.2153 3.3992 -0.1934 2.361e+05 2023-02-20 02:46:22,295 INFO [main.py:643]
{rank 0/100} MD step = 137900 step time: 00:00:00.036568 Performance: 501.157 ns/day 0.048 hours/ns 29.002 steps/s 2023-02-20 02:46:23,485 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 59.529 -33608 6524.5 -40132 -40132 3.2215 3.3993 -0.19452 2.3627e+05 2023-02-20 02:46:25,448 INFO [main.py:643]
{rank 0/100} MD step = 138000 step time: 00:00:00.018148 Performance: 501.188 ns/day 0.048 hours/ns 29.004 steps/s 2023-02-20 02:46:26,337 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 60.246 -33571 6603 -40174 -40174 3.2256 3.3999 -0.19472 2.3647e+05 2023-02-20 02:46:28,805 INFO [main.py:643]
{rank 0/100} MD step = 138100 step time: 00:00:00.018191 Performance: 501.198 ns/day 0.048 hours/ns 29.004 steps/s 2023-02-20 02:46:30,245 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 59.422 -33612 6512.8 -40124 -40124 3.2301 3.4007 -0.19601 2.3663e+05 2023-02-20 02:46:32,110 INFO [main.py:643]
{rank 0/100} MD step = 138200 step time: 00:00:00.018203 Performance: 501.213 ns/day 0.048 hours/ns 29.005 steps/s 2023-02-20 02:46:33,650 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 60.554 -33409 6636.8 -40046 -40046 3.2327 3.4008 -0.19582 2.3682e+05 2023-02-20 02:46:35,582 INFO [main.py:643]
{rank 0/100} MD step = 138300 step time: 00:00:00.017984 Performance: 501.210 ns/day 0.048 hours/ns 29.005 steps/s 2023-02-20 02:46:36,871 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 60.388 -33473 6618.6 -40092 -40092 3.2376 3.4011 -0.19588 2.3699e+05 2023-02-20 02:46:38,783 INFO [main.py:643]
{rank 0/100} MD step = 138400 step time: 00:00:00.018430 Performance: 501.236 ns/day 0.048 hours/ns 29.007 steps/s 2023-02-20 02:46:40,140 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 60.044 -33536 6580.9 -40117 -40117 3.2442 3.4024 -0.19727 2.3715e+05 2023-02-20 02:46:42,000 INFO [main.py:643]
{rank 0/100} MD step = 138500 step time: 00:00:00.018421 Performance: 501.260 ns/day 0.048 hours/ns 29.008 steps/s 2023-02-20 02:46:43,826 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 59.883 -33583 6563.3 -40147 -40147 3.2466 3.4035 -0.19683 2.3735e+05 2023-02-20 02:46:45,747 INFO [main.py:643]
{rank 0/100} MD step = 138600 step time: 00:00:00.017916 Performance: 501.229 ns/day 0.048 hours/ns 29.006 steps/s 2023-02-20 02:46:47,181 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 60.311 -33588 6610.2 -40198 -40198 3.2517 3.4037 -0.19746 2.3756e+05 2023-02-20 02:46:49,029 INFO [main.py:643]
{rank 0/100} MD step = 138700 step time: 00:00:00.018129 Performance: 501.246 ns/day 0.048 hours/ns 29.007 steps/s 2023-02-20 02:46:50,441 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 60.502 -33478 6631 -40109 -40109 3.2561 3.4056 -0.19807 2.3771e+05 2023-02-20 02:46:52,449 INFO [main.py:643]
{rank 0/100} MD step = 138800 step time: 00:00:00.018723 Performance: 501.249 ns/day 0.048 hours/ns 29.007 steps/s 2023-02-20 02:46:53,938 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 59.786 -33506 6552.6 -40058 -40058 3.2603 3.4057 -0.19786 2.3788e+05 2023-02-20 02:46:55,751 INFO [main.py:643]
{rank 0/100} MD step = 138900 step time: 00:00:00.018000 Performance: 501.264 ns/day 0.048 hours/ns 29.008 steps/s 2023-02-20 02:46:57,209 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 138900 27780 59.299 -33713 6499.3 -40212 -40212 3.2672 3.4046 -0.19803 2.3803e+05 2023-02-20 02:46:59,043 INFO [main.py:643]
{rank 0/100} MD step = 139000 step time: 00:00:00.018387 Performance: 501.280 ns/day 0.048 hours/ns 29.009 steps/s 2023-02-20 02:47:00,423 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 59.546 -33503 6526.4 -40030 -40030 3.273 3.4059 -0.19732 2.3828e+05 2023-02-20 02:47:02,324 INFO [main.py:643]
{rank 0/100} MD step = 139100 step time: 00:00:00.018065 Performance: 501.298 ns/day 0.048 hours/ns 29.010 steps/s 2023-02-20 02:47:03,590 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 59.485 -33589 6519.6 -40108 -40108 3.2784 3.4079 -0.19802 2.3842e+05 2023-02-20 02:47:05,538 INFO [main.py:643]
{rank 0/100} MD step = 139200 step time: 00:00:00.018131 Performance: 501.322 ns/day 0.048 hours/ns 29.012 steps/s 2023-02-20 02:47:06,961 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 139200 27840 59.391 -33547 6509.3 -40056 -40056 3.2812 3.4096 -0.19644 2.386e+05 2023-02-20 02:47:08,808 INFO [main.py:643]
{rank 0/100} MD step = 139300 step time: 00:00:00.018061 Performance: 501.341 ns/day 0.048 hours/ns 29.013 steps/s 2023-02-20 02:47:10,281 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 60.775 -33537 6661 -40198 -40198 3.2854 3.4118 -0.19777 2.3874e+05 2023-02-20 02:47:12,102 INFO [main.py:643]
{rank 0/100} MD step = 139400 step time: 00:00:00.019953 Performance: 501.357 ns/day 0.048 hours/ns 29.014 steps/s 2023-02-20 02:47:13,343 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 139400 27880 60.477 -33571 6628.3 -40199 -40199 3.2914 3.412 -0.19687 2.3892e+05 2023-02-20 02:47:15,239 INFO [main.py:643]
{rank 0/100} MD step = 139500 step time: 00:00:00.017980 Performance: 501.389 ns/day 0.048 hours/ns 29.016 steps/s 2023-02-20 02:47:16,570 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 60.368 -33454 6616.4 -40070 -40070 3.2993 3.4152 -0.19837 2.3908e+05 2023-02-20 02:47:18,492 INFO [main.py:643]
{rank 0/100} MD step = 139600 step time: 00:00:00.018104 Performance: 501.409 ns/day 0.048 hours/ns 29.017 steps/s 2023-02-20 02:47:19,782 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 59.434 -33568 6514.1 -40082 -40082 3.3049 3.416 -0.19896 2.3928e+05 2023-02-20 02:47:21,659 INFO [main.py:643]
{rank 0/100} MD step = 139700 step time: 00:00:00.018549 Performance: 501.438 ns/day 0.048 hours/ns 29.018 steps/s 2023-02-20 02:47:23,007 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 59.865 -33537 6561.2 -40098 -40098 3.3097 3.4163 -0.19927 2.3943e+05 2023-02-20 02:47:24,892 INFO [main.py:643]
{rank 0/100} MD step = 139800 step time: 00:00:00.018099 Performance: 501.460 ns/day 0.048 hours/ns 29.020 steps/s 2023-02-20 02:47:25,716 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 61.085 -33458 6695 -40153 -40153 3.311 3.4171 -0.19935 2.3961e+05 2023-02-20 02:47:28,160 INFO [main.py:643]
{rank 0/100} MD step = 139900 step time: 00:00:00.018973 Performance: 501.479 ns/day 0.048 hours/ns 29.021 steps/s 2023-02-20 02:47:29,394 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 60.433 -33407 6623.5 -40030 -40030 3.3162 3.4181 -0.19916 2.3979e+05 2023-02-20 02:47:31,247 INFO [main.py:643]
{rank 0/100} MD step = 140000 step time: 00:00:00.018014 Performance: 501.516 ns/day 0.048 hours/ns 29.023 steps/s 2023-02-20 02:47:32,643 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 140000 28000 60.479 -33355 6628.5 -39983 -39983 3.3208 3.4197 -0.20081 2.3997e+05 2023-02-20 02:47:34,668 INFO [main.py:643]
{rank 0/100} MD step = 140100 step time: 00:00:00.018114 Performance: 501.519 ns/day 0.048 hours/ns 29.023 steps/s 2023-02-20 02:47:35,955 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 60.219 -33613 6600.1 -40213 -40213 3.3271 3.4201 -0.19943 2.4012e+05 2023-02-20 02:47:37,813 INFO [main.py:643]
{rank 0/100} MD step = 140200 step time: 00:00:00.018062 Performance: 501.550 ns/day 0.048 hours/ns 29.025 steps/s 2023-02-20 02:47:39,188 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 60.016 -33618 6577.9 -40196 -40196 3.3318 3.4203 -0.20003 2.403e+05 2023-02-20 02:47:41,010 INFO [main.py:643]
{rank 0/100} MD step = 140300 step time: 00:00:00.018054 Performance: 501.576 ns/day 0.048 hours/ns 29.026 steps/s 2023-02-20 02:47:42,259 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 59.144 -33622 6482.3 -40104 -40104 3.3334 3.4201 -0.20122 2.4046e+05 2023-02-20 02:47:44,519 INFO [main.py:643]
{rank 0/100} MD step = 140400 step time: 00:00:00.018172 Performance: 501.569 ns/day 0.048 hours/ns 29.026 steps/s 2023-02-20 02:47:45,692 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 59.325 -33743 6502.1 -40245 -40245 3.3381 3.422 -0.20197 2.4064e+05 2023-02-20 02:47:47,629 INFO [main.py:643]
{rank 0/100} MD step = 140500 step time: 00:00:00.017892 Performance: 501.604 ns/day 0.048 hours/ns 29.028 steps/s 2023-02-20 02:47:48,878 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 140500 28100 60.567 -33505 6638.2 -40143 -40143 3.3424 3.4237 -0.20173 2.4083e+05 2023-02-20 02:47:50,835 INFO [main.py:643]
{rank 0/100} MD step = 140600 step time: 00:00:00.018115 Performance: 501.628 ns/day 0.048 hours/ns 29.029 steps/s 2023-02-20 02:47:52,082 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 59.943 -33547 6569.8 -40116 -40116 3.3459 3.4259 -0.20154 2.4101e+05 2023-02-20 02:47:54,037 INFO [main.py:643]
{rank 0/100} MD step = 140700 step time: 00:00:00.017996 Performance: 501.654 ns/day 0.048 hours/ns 29.031 steps/s 2023-02-20 02:47:55,387 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 60.533 -33433 6634.5 -40067 -40067 3.3523 3.4269 -0.20202 2.412e+05 2023-02-20 02:47:57,248 INFO [main.py:643]
{rank 0/100} MD step = 140800 step time: 00:00:00.018029 Performance: 501.678 ns/day 0.048 hours/ns 29.032 steps/s 2023-02-20 02:47:58,631 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 60.276 -33496 6606.3 -40103 -40103 3.3593 3.4274 -0.20185 2.4136e+05 2023-02-20 02:48:00,511 INFO [main.py:643]
{rank 0/100} MD step = 140900 step time: 00:00:00.017954 Performance: 501.697 ns/day 0.048 hours/ns 29.033 steps/s 2023-02-20 02:48:02,315 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 59.992 -33623 6575.2 -40199 -40199 3.3633 3.4286 -0.20207 2.4151e+05 2023-02-20 02:48:04,128 INFO [main.py:643]
{rank 0/100} MD step = 141000 step time: 00:00:00.018142 Performance: 501.679 ns/day 0.048 hours/ns 29.032 steps/s 2023-02-20 02:48:05,536 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 141000 28200 60.516 -33533 6632.6 -40165 -40165 3.3657 3.4322 -0.2031 2.4169e+05 2023-02-20 02:48:07,352 INFO [main.py:643]
{rank 0/100} MD step = 141100 step time: 00:00:00.018064 Performance: 501.701 ns/day 0.048 hours/ns 29.034 steps/s 2023-02-20 02:48:08,835 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 60.244 -33520 6602.8 -40123 -40123 3.3715 3.4332 -0.20285 2.4185e+05 2023-02-20 02:48:10,731 INFO [main.py:643]
{rank 0/100} MD step = 141200 step time: 00:00:00.018418 Performance: 501.708 ns/day 0.048 hours/ns 29.034 steps/s 2023-02-20 02:48:12,006 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 61.2 -33485 6707.6 -40193 -40193 3.3745 3.435 -0.2031 2.4201e+05 2023-02-20 02:48:13,869 INFO [main.py:643]
{rank 0/100} MD step = 141300 step time: 00:00:00.018049 Performance: 501.740 ns/day 0.048 hours/ns 29.036 steps/s 2023-02-20 02:48:16,186 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 60.34 -33445 6613.3 -40058 -40058 3.3783 3.4376 -0.20198 2.4217e+05 2023-02-20 02:48:20,058 INFO [main.py:643]
{rank 0/100} MD step = 141400 step time: 00:00:00.017935 Performance: 501.457 ns/day 0.048 hours/ns 29.020 steps/s 2023-02-20 02:48:21,276 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 60.252 -33531 6603.7 -40135 -40135 3.3833 3.4385 -0.20188 2.4236e+05 2023-02-20 02:48:23,182 INFO [main.py:643]
{rank 0/100} MD step = 141500 step time: 00:00:00.018637 Performance: 501.490 ns/day 0.048 hours/ns 29.021 steps/s 2023-02-20 02:48:24,613 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 141500 28300 59.831 -33545 6557.6 -40102 -40102 3.3884 3.438 -0.20311 2.425e+05 2023-02-20 02:48:26,427 INFO [main.py:643]
{rank 0/100} MD step = 141600 step time: 00:00:00.020332 Performance: 501.511 ns/day 0.048 hours/ns 29.023 steps/s 2023-02-20 02:48:27,649 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 59.738 -33595 6547.3 -40142 -40142 3.3933 3.4417 -0.20353 2.4266e+05 2023-02-20 02:48:29,622 INFO [main.py:643]
{rank 0/100} MD step = 141700 step time: 00:00:00.018216 Performance: 501.537 ns/day 0.048 hours/ns 29.024 steps/s 2023-02-20 02:48:30,878 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 60.013 -33560 6577.5 -40138 -40138 3.3986 3.4428 -0.20424 2.4283e+05 2023-02-20 02:48:32,762 INFO [main.py:643]
{rank 0/100} MD step = 141800 step time: 00:00:00.017928 Performance: 501.568 ns/day 0.048 hours/ns 29.026 steps/s 2023-02-20 02:48:34,303 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 60.008 -33415 6576.9 -39991 -39991 3.4043 3.4451 -0.20342 2.4299e+05 2023-02-20 02:48:36,150 INFO [main.py:643]
{rank 0/100} MD step = 141900 step time: 00:00:00.018087 Performance: 501.574 ns/day 0.048 hours/ns 29.026 steps/s 2023-02-20 02:48:37,456 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 60.285 -33345 6607.3 -39952 -39952 3.4115 3.4444 -0.20349 2.4315e+05 2023-02-20 02:48:39,406 INFO [main.py:643]
{rank 0/100} MD step = 142000 step time: 00:00:00.017951 Performance: 501.593 ns/day 0.048 hours/ns 29.027 steps/s 2023-02-20 02:48:41,091 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 60.382 -33584 6617.9 -40202 -40202 3.4148 3.4459 -0.2031 2.4333e+05 2023-02-20 02:48:42,898 INFO [main.py:643]
{rank 0/100} MD step = 142100 step time: 00:00:00.018834 Performance: 501.588 ns/day 0.048 hours/ns 29.027 steps/s 2023-02-20 02:48:47,641 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 142100 28420 60.884 -33545 6672.9 -40218 -40218 3.4201 3.4481 -0.20392 2.435e+05 2023-02-20 02:48:49,588 INFO [main.py:643]
{rank 0/100} MD step = 142200 step time: 00:00:00.018056 Performance: 501.256 ns/day 0.048 hours/ns 29.008 steps/s 2023-02-20 02:48:50,948 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 60.28 -33427 6606.8 -40034 -40034 3.4253 3.4472 -0.20344 2.4371e+05 2023-02-20 02:48:52,877 INFO [main.py:643]
{rank 0/100} MD step = 142300 step time: 00:00:00.018939 Performance: 501.272 ns/day 0.048 hours/ns 29.009 steps/s 2023-02-20 02:48:54,140 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 59.411 -33612 6511.5 -40123 -40123 3.4309 3.4479 -0.20333 2.4385e+05 2023-02-20 02:48:56,005 INFO [main.py:643]
{rank 0/100} MD step = 142400 step time: 00:00:00.018164 Performance: 501.305 ns/day 0.048 hours/ns 29.011 steps/s 2023-02-20 02:48:57,367 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 60.435 -33571 6623.7 -40195 -40195 3.435 3.4494 -0.20415 2.44e+05 2023-02-20 02:48:59,248 INFO [main.py:643]
{rank 0/100} MD step = 142500 step time: 00:00:00.018389 Performance: 501.326 ns/day 0.048 hours/ns 29.012 steps/s 2023-02-20 02:49:00,532 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 60.276 -33682 6606.3 -40288 -40288 3.4406 3.4518 -0.20452 2.4419e+05 2023-02-20 02:49:02,436 INFO [main.py:643]
{rank 0/100} MD step = 142600 step time: 00:00:00.018096 Performance: 501.352 ns/day 0.048 hours/ns 29.013 steps/s 2023-02-20 02:49:03,238 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 59.306 -33594 6500 -40094 -40094 3.4451 3.4542 -0.20404 2.4438e+05 2023-02-20 02:49:05,586 INFO [main.py:643]
{rank 0/100} MD step = 142700 step time: 00:00:00.018008 Performance: 501.383 ns/day 0.048 hours/ns 29.015 steps/s 2023-02-20 02:49:06,983 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 142700 28540 60.111 -33573 6588.3 -40161 -40161 3.4479 3.4571 -0.2018 2.4457e+05 2023-02-20 02:49:08,808 INFO [main.py:643]
{rank 0/100} MD step = 142800 step time: 00:00:00.018130 Performance: 501.405 ns/day 0.048 hours/ns 29.017 steps/s 2023-02-20 02:49:10,106 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 59.756 -33659 6549.3 -40209 -40209 3.4532 3.4591 -0.20282 2.4472e+05 2023-02-20 02:49:12,019 INFO [main.py:643]
{rank 0/100} MD step = 142900 step time: 00:00:00.017957 Performance: 501.429 ns/day 0.048 hours/ns 29.018 steps/s 2023-02-20 02:49:13,348 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 59.791 -33638 6553.1 -40191 -40191 3.4586 3.4621 -0.20398 2.4488e+05 2023-02-20 02:49:15,193 INFO [main.py:643]
{rank 0/100} MD step = 143000 step time: 00:00:00.018483 Performance: 501.457 ns/day 0.048 hours/ns 29.020 steps/s 2023-02-20 02:49:16,386 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 143000 28600 59.747 -33612 6548.4 -40160 -40160 3.4619 3.4628 -0.20363 2.4505e+05 2023-02-20 02:49:18,366 INFO [main.py:643]
{rank 0/100} MD step = 143100 step time: 00:00:00.018554 Performance: 501.485 ns/day 0.048 hours/ns 29.021 steps/s 2023-02-20 02:49:19,972 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 143100 28620 59.078 -33638 6475 -40113 -40113 3.4671 3.4652 -0.20301 2.4522e+05 2023-02-20 02:49:21,832 INFO [main.py:643]
{rank 0/100} MD step = 143200 step time: 00:00:00.018110 Performance: 501.483 ns/day 0.048 hours/ns 29.021 steps/s 2023-02-20 02:49:23,120 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 60.536 -33463 6634.8 -40098 -40098 3.4712 3.466 -0.20413 2.454e+05 2023-02-20 02:49:25,017 INFO [main.py:643]
{rank 0/100} MD step = 143300 step time: 00:00:00.018085 Performance: 501.509 ns/day 0.048 hours/ns 29.023 steps/s 2023-02-20 02:49:26,332 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 59.979 -33435 6573.7 -40008 -40008 3.4764 3.466 -0.20594 2.456e+05 2023-02-20 02:49:28,228 INFO [main.py:643]
{rank 0/100} MD step = 143400 step time: 00:00:00.018124 Performance: 501.533 ns/day 0.048 hours/ns 29.024 steps/s 2023-02-20 02:49:29,580 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 143400 28680 60.031 -33701 6579.5 -40280 -40280 3.4811 3.4676 -0.20611 2.457e+05 2023-02-20 02:49:31,413 INFO [main.py:643]
{rank 0/100} MD step = 143500 step time: 00:00:00.017893 Performance: 501.560 ns/day 0.048 hours/ns 29.025 steps/s 2023-02-20 02:49:33,227 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 59.572 -33585 6529.2 -40114 -40114 3.4836 3.469 -0.20486 2.4591e+05 2023-02-20 02:49:35,067 INFO [main.py:643]
{rank 0/100} MD step = 143600 step time: 00:00:00.018111 Performance: 501.538 ns/day 0.048 hours/ns 29.024 steps/s 2023-02-20 02:49:36,703 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 60.365 -33572 6616.1 -40188 -40188 3.4877 3.4704 -0.20374 2.4605e+05 2023-02-20 02:49:38,636 INFO [main.py:643]
{rank 0/100} MD step = 143700 step time: 00:00:00.018583 Performance: 501.526 ns/day 0.048 hours/ns 29.023 steps/s 2023-02-20 02:49:39,947 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 59.909 -33449 6566.1 -40015 -40015 3.4924 3.4709 -0.20437 2.4624e+05 2023-02-20 02:49:41,809 INFO [main.py:643]
{rank 0/100} MD step = 143800 step time: 00:00:00.018086 Performance: 501.553 ns/day 0.048 hours/ns 29.025 steps/s 2023-02-20 02:49:43,206 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 60.296 -33417 6608.5 -40026 -40026 3.4973 3.4737 -0.20426 2.4641e+05 2023-02-20 02:49:45,034 INFO [main.py:643]
{rank 0/100} MD step = 143900 step time: 00:00:00.019735 Performance: 501.576 ns/day 0.048 hours/ns 29.026 steps/s 2023-02-20 02:49:46,416 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 61.029 -33393 6688.8 -40082 -40082 3.5014 3.4739 -0.20386 2.4658e+05 2023-02-20 02:49:48,315 INFO [main.py:643]
{rank 0/100} MD step = 144000 step time: 00:00:00.018256 Performance: 501.592 ns/day 0.048 hours/ns 29.027 steps/s 2023-02-20 02:49:49,651 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 59.448 -33643 6515.6 -40159 -40159 3.5064 3.475 -0.20279 2.4669e+05 2023-02-20 02:49:51,535 INFO [main.py:643]
{rank 0/100} MD step = 144100 step time: 00:00:00.018052 Performance: 501.615 ns/day 0.048 hours/ns 29.029 steps/s 2023-02-20 02:49:52,866 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 59.188 -33581 6487 -40068 -40068 3.5099 3.4765 -0.20215 2.469e+05 2023-02-20 02:49:54,783 INFO [main.py:643]
{rank 0/100} MD step = 144200 step time: 00:00:00.017955 Performance: 501.635 ns/day 0.048 hours/ns 29.030 steps/s 2023-02-20 02:49:56,058 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 59.756 -33647 6549.3 -40196 -40196 3.5114 3.4775 -0.20407 2.4705e+05 2023-02-20 02:49:57,961 INFO [main.py:643]
{rank 0/100} MD step = 144300 step time: 00:00:00.021033 Performance: 501.662 ns/day 0.048 hours/ns 29.031 steps/s 2023-02-20 02:49:59,166 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 59.572 -33588 6529.2 -40117 -40117 3.5172 3.4803 -0.20542 2.4723e+05 2023-02-20 02:50:01,066 INFO [main.py:643]
{rank 0/100} MD step = 144400 step time: 00:00:00.017953 Performance: 501.696 ns/day 0.048 hours/ns 29.033 steps/s 2023-02-20 02:50:02,330 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 59.567 -33586 6528.6 -40115 -40115 3.5189 3.482 -0.20584 2.4739e+05 2023-02-20 02:50:04,206 INFO [main.py:643]
{rank 0/100} MD step = 144500 step time: 00:00:00.017954 Performance: 501.727 ns/day 0.048 hours/ns 29.035 steps/s 2023-02-20 02:50:05,460 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 59.398 -33486 6510 -39996 -39996 3.5231 3.4831 -0.20628 2.4758e+05 2023-02-20 02:50:07,372 INFO [main.py:643]
{rank 0/100} MD step = 144600 step time: 00:00:00.018211 Performance: 501.755 ns/day 0.048 hours/ns 29.037 steps/s 2023-02-20 02:50:08,671 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 60.178 -33679 6595.6 -40275 -40275 3.5259 3.485 -0.20502 2.4771e+05 2023-02-20 02:50:10,572 INFO [main.py:643]
{rank 0/100} MD step = 144700 step time: 00:00:00.018387 Performance: 501.779 ns/day 0.048 hours/ns 29.038 steps/s 2023-02-20 02:50:11,901 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 59.547 -33815 6526.4 -40342 -40342 3.5307 3.487 -0.20494 2.4783e+05 2023-02-20 02:50:13,755 INFO [main.py:643]
{rank 0/100} MD step = 144800 step time: 00:00:00.018169 Performance: 501.806 ns/day 0.048 hours/ns 29.040 steps/s 2023-02-20 02:50:15,089 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 144800 28960 60.233 -33518 6601.6 -40119 -40119 3.5358 3.4903 -0.20449 2.4807e+05 2023-02-20 02:50:16,939 INFO [main.py:643]
{rank 0/100} MD step = 144900 step time: 00:00:00.018153 Performance: 501.832 ns/day 0.048 hours/ns 29.041 steps/s 2023-02-20 02:50:18,229 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 59.556 -33662 6527.4 -40190 -40190 3.5406 3.4922 -0.20546 2.482e+05 2023-02-20 02:50:20,176 INFO [main.py:643]
{rank 0/100} MD step = 145000 step time: 00:00:00.018417 Performance: 501.852 ns/day 0.048 hours/ns 29.042 steps/s 2023-02-20 02:50:21,559 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 59.664 -33568 6539.3 -40108 -40108 3.5441 3.4922 -0.20603 2.4838e+05 2023-02-20 02:50:23,474 INFO [main.py:643]
{rank 0/100} MD step = 145100 step time: 00:00:00.018231 Performance: 501.867 ns/day 0.048 hours/ns 29.043 steps/s 2023-02-20 02:50:24,787 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 60.255 -33519 6604 -40123 -40123 3.551 3.4934 -0.20568 2.4857e+05 2023-02-20 02:50:26,685 INFO [main.py:643]
{rank 0/100} MD step = 145200 step time: 00:00:00.018160 Performance: 501.890 ns/day 0.048 hours/ns 29.045 steps/s 2023-02-20 02:50:27,843 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 59.57 -33566 6528.9 -40095 -40095 3.5542 3.4948 -0.20599 2.4875e+05 2023-02-20 02:50:29,811 INFO [main.py:643]
{rank 0/100} MD step = 145300 step time: 00:00:00.018201 Performance: 501.922 ns/day 0.048 hours/ns 29.046 steps/s 2023-02-20 02:50:31,354 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 60.235 -33603 6601.8 -40205 -40205 3.5575 3.4982 -0.20561 2.4893e+05 2023-02-20 02:50:33,176 INFO [main.py:643]
{rank 0/100} MD step = 145400 step time: 00:00:00.018630 Performance: 501.930 ns/day 0.048 hours/ns 29.047 steps/s 2023-02-20 02:50:34,704 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 60.959 -33438 6681.2 -40120 -40120 3.5612 3.5004 -0.20624 2.491e+05 2023-02-20 02:50:36,564 INFO [main.py:643]
{rank 0/100} MD step = 145500 step time: 00:00:00.018530 Performance: 501.935 ns/day 0.048 hours/ns 29.047 steps/s 2023-02-20 02:50:37,938 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 59.479 -33472 6519 -39991 -39991 3.5635 3.5003 -0.20616 2.4928e+05 2023-02-20 02:50:39,837 INFO [main.py:643]
{rank 0/100} MD step = 145600 step time: 00:00:00.017999 Performance: 501.952 ns/day 0.048 hours/ns 29.048 steps/s 2023-02-20 02:50:41,176 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 59.417 -33665 6512.2 -40177 -40177 3.568 3.5018 -0.20576 2.4942e+05 2023-02-20 02:50:43,080 INFO [main.py:643]
{rank 0/100} MD step = 145700 step time: 00:00:00.018178 Performance: 501.972 ns/day 0.048 hours/ns 29.049 steps/s 2023-02-20 02:50:44,453 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 60.432 -33554 6623.4 -40177 -40177 3.5734 3.5037 -0.20557 2.496e+05 2023-02-20 02:50:46,361 INFO [main.py:643]
{rank 0/100} MD step = 145800 step time: 00:00:00.018192 Performance: 501.989 ns/day 0.048 hours/ns 29.050 steps/s 2023-02-20 02:50:47,599 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 145800 29160 60.806 -33514 6664.4 -40178 -40178 3.5758 3.5058 -0.20698 2.4975e+05 2023-02-20 02:50:49,529 INFO [main.py:643]
{rank 0/100} MD step = 145900 step time: 00:00:00.018244 Performance: 502.016 ns/day 0.048 hours/ns 29.052 steps/s 2023-02-20 02:50:50,757 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 61.153 -33449 6702.5 -40152 -40152 3.58 3.5087 -0.20641 2.4992e+05 2023-02-20 02:50:52,670 INFO [main.py:643]
{rank 0/100} MD step = 146000 step time: 00:00:00.018335 Performance: 502.046 ns/day 0.048 hours/ns 29.054 steps/s 2023-02-20 02:50:53,936 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 60.53 -33538 6634.2 -40172 -40172 3.5854 3.5115 -0.20614 2.5009e+05 2023-02-20 02:50:55,858 INFO [main.py:643]
{rank 0/100} MD step = 146100 step time: 00:00:00.018406 Performance: 502.071 ns/day 0.048 hours/ns 29.055 steps/s 2023-02-20 02:50:57,106 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 60.317 -33608 6610.8 -40219 -40219 3.5882 3.5131 -0.20776 2.5023e+05 2023-02-20 02:50:59,013 INFO [main.py:643]
{rank 0/100} MD step = 146200 step time: 00:00:00.018102 Performance: 502.100 ns/day 0.048 hours/ns 29.057 steps/s 2023-02-20 02:51:00,291 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 59.323 -33642 6501.9 -40144 -40144 3.5922 3.5171 -0.20677 2.5038e+05 2023-02-20 02:51:02,127 INFO [main.py:643]
{rank 0/100} MD step = 146300 step time: 00:00:00.018475 Performance: 502.133 ns/day 0.048 hours/ns 29.059 steps/s 2023-02-20 02:51:03,445 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 59.753 -33613 6549 -40162 -40162 3.5944 3.5179 -0.2066 2.5058e+05 2023-02-20 02:51:05,304 INFO [main.py:643]
{rank 0/100} MD step = 146400 step time: 00:00:00.018042 Performance: 502.159 ns/day 0.048 hours/ns 29.060 steps/s 2023-02-20 02:51:06,696 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 60.689 -33539 6651.6 -40191 -40191 3.5986 3.5186 -0.20681 2.5073e+05 2023-02-20 02:51:08,514 INFO [main.py:643]
{rank 0/100} MD step = 146500 step time: 00:00:00.018245 Performance: 502.182 ns/day 0.048 hours/ns 29.061 steps/s 2023-02-20 02:51:14,251 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 59.589 -33583 6531 -40114 -40114 3.6014 3.5202 -0.20938 2.5093e+05 2023-02-20 02:51:16,232 INFO [main.py:643]
{rank 0/100} MD step = 146600 step time: 00:00:00.018164 Performance: 501.757 ns/day 0.048 hours/ns 29.037 steps/s 2023-02-20 02:51:17,512 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 60.993 -33350 6684.9 -40035 -40035 3.6053 3.5232 -0.20948 2.511e+05 2023-02-20 02:51:19,522 INFO [main.py:643]
{rank 0/100} MD step = 146700 step time: 00:00:00.018121 Performance: 501.772 ns/day 0.048 hours/ns 29.038 steps/s 2023-02-20 02:51:20,740 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 60.82 -33558 6665.9 -40224 -40224 3.6086 3.5253 -0.2079 2.5125e+05 2023-02-20 02:51:22,804 INFO [main.py:643]
{rank 0/100} MD step = 146800 step time: 00:00:00.018094 Performance: 501.788 ns/day 0.048 hours/ns 29.039 steps/s 2023-02-20 02:51:24,264 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 60.644 -33446 6646.7 -40092 -40092 3.6147 3.527 -0.20697 2.5145e+05 2023-02-20 02:51:26,099 INFO [main.py:643]
{rank 0/100} MD step = 146900 step time: 00:00:00.018304 Performance: 501.803 ns/day 0.048 hours/ns 29.040 steps/s 2023-02-20 02:51:27,365 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 58.98 -33509 6464.3 -39974 -39974 3.6173 3.5271 -0.20704 2.5165e+05 2023-02-20 02:51:29,342 INFO [main.py:643]
{rank 0/100} MD step = 147000 step time: 00:00:00.018207 Performance: 501.823 ns/day 0.048 hours/ns 29.041 steps/s 2023-02-20 02:51:30,713 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 60.006 -33587 6576.7 -40163 -40163 3.6192 3.5284 -0.20728 2.5177e+05 2023-02-20 02:51:32,672 INFO [main.py:643]
{rank 0/100} MD step = 147100 step time: 00:00:00.018330 Performance: 501.834 ns/day 0.048 hours/ns 29.041 steps/s 2023-02-20 02:51:33,942 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 60.861 -33307 6670.4 -39978 -39978 3.6246 3.5301 -0.20682 2.5198e+05 2023-02-20 02:51:35,870 INFO [main.py:643]
{rank 0/100} MD step = 147200 step time: 00:00:00.018735 Performance: 501.858 ns/day 0.048 hours/ns 29.043 steps/s 2023-02-20 02:51:37,123 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 60.265 -33544 6605.1 -40149 -40149 3.6278 3.5306 -0.20571 2.5215e+05 2023-02-20 02:51:39,086 INFO [main.py:643]
{rank 0/100} MD step = 147300 step time: 00:00:00.018542 Performance: 501.881 ns/day 0.048 hours/ns 29.044 steps/s 2023-02-20 02:51:52,134 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 61.751 -33364 6768 -40132 -40132 3.6307 3.5326 -0.20542 2.5233e+05 2023-02-20 02:51:54,019 INFO [main.py:643]
{rank 0/100} MD step = 147400 step time: 00:00:00.017972 Performance: 500.747 ns/day 0.048 hours/ns 28.978 steps/s 2023-02-20 02:51:55,313 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 60.142 -33541 6591.6 -40132 -40132 3.6363 3.5345 -0.20609 2.5248e+05 2023-02-20 02:51:57,222 INFO [main.py:643]
{rank 0/100} MD step = 147500 step time: 00:00:00.018241 Performance: 500.771 ns/day 0.048 hours/ns 28.980 steps/s 2023-02-20 02:51:58,327 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 59.189 -33752 6487.2 -40239 -40239 3.6398 3.5355 -0.20754 2.5265e+05 2023-02-20 02:52:00,325 INFO [main.py:643]
{rank 0/100} MD step = 147600 step time: 00:00:00.018219 Performance: 500.805 ns/day 0.048 hours/ns 28.982 steps/s 2023-02-20 02:52:01,556 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 60.073 -33613 6584.1 -40197 -40197 3.6439 3.5359 -0.20668 2.5289e+05 2023-02-20 02:52:03,548 INFO [main.py:643]
{rank 0/100} MD step = 147700 step time: 00:00:00.018956 Performance: 500.828 ns/day 0.048 hours/ns 28.983 steps/s 2023-02-20 02:52:04,746 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 60.925 -33439 6677.5 -40117 -40117 3.6483 3.5363 -0.2083 2.5303e+05 2023-02-20 02:52:06,697 INFO [main.py:643]
{rank 0/100} MD step = 147800 step time: 00:00:00.018015 Performance: 500.857 ns/day 0.048 hours/ns 28.985 steps/s 2023-02-20 02:52:07,933 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 60.448 -33525 6625.1 -40151 -40151 3.6533 3.5374 -0.20856 2.5318e+05 2023-02-20 02:52:09,852 INFO [main.py:643]
{rank 0/100} MD step = 147900 step time: 00:00:00.018181 Performance: 500.886 ns/day 0.048 hours/ns 28.986 steps/s 2023-02-20 02:52:11,052 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 59.721 -33559 6545.5 -40104 -40104 3.6574 3.5387 -0.20929 2.5337e+05 2023-02-20 02:52:13,001 INFO [main.py:643]
{rank 0/100} MD step = 148000 step time: 00:00:00.018002 Performance: 500.916 ns/day 0.048 hours/ns 28.988 steps/s 2023-02-20 02:52:14,343 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 59.906 -33502 6565.7 -40068 -40068 3.6607 3.5412 -0.20942 2.5356e+05 2023-02-20 02:52:16,200 INFO [main.py:643]
{rank 0/100} MD step = 148100 step time: 00:00:00.018143 Performance: 500.941 ns/day 0.048 hours/ns 28.990 steps/s 2023-02-20 02:52:17,451 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 59.54 -33555 6525.6 -40081 -40081 3.6637 3.5438 -0.20971 2.5371e+05 2023-02-20 02:52:19,446 INFO [main.py:643]
{rank 0/100} MD step = 148200 step time: 00:00:00.018219 Performance: 500.960 ns/day 0.048 hours/ns 28.991 steps/s 2023-02-20 02:52:20,762 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 148200 29640 60.214 -33605 6599.6 -40204 -40204 3.6686 3.5441 -0.21057 2.5388e+05 2023-02-20 02:52:22,624 INFO [main.py:643]
{rank 0/100} MD step = 148300 step time: 00:00:00.018164 Performance: 500.987 ns/day 0.048 hours/ns 28.992 steps/s 2023-02-20 02:52:23,901 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 60.611 -33596 6643 -40239 -40239 3.6728 3.5455 -0.21072 2.5404e+05 2023-02-20 02:52:25,809 INFO [main.py:643]
{rank 0/100} MD step = 148400 step time: 00:00:00.019285 Performance: 501.013 ns/day 0.048 hours/ns 28.994 steps/s 2023-02-20 02:52:27,065 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 60.609 -33509 6642.9 -40152 -40152 3.6769 3.5462 -0.21015 2.5423e+05 2023-02-20 02:52:29,014 INFO [main.py:643]
{rank 0/100} MD step = 148500 step time: 00:00:00.018250 Performance: 501.037 ns/day 0.048 hours/ns 28.995 steps/s 2023-02-20 02:52:30,380 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 59.83 -33612 6557.4 -40169 -40169 3.6806 3.5481 -0.20856 2.5442e+05 2023-02-20 02:52:32,370 INFO [main.py:643]
{rank 0/100} MD step = 148600 step time: 00:00:00.018748 Performance: 501.046 ns/day 0.048 hours/ns 28.996 steps/s 2023-02-20 02:52:33,821 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 59.862 -33591 6561 -40152 -40152 3.6857 3.5494 -0.20839 2.5461e+05 2023-02-20 02:52:35,719 INFO [main.py:643]
{rank 0/100} MD step = 148700 step time: 00:00:00.018065 Performance: 501.056 ns/day 0.048 hours/ns 28.996 steps/s 2023-02-20 02:52:37,454 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 60.414 -33620 6621.5 -40241 -40241 3.6891 3.5496 -0.20866 2.5478e+05 2023-02-20 02:52:39,510 INFO [main.py:643]
{rank 0/100} MD step = 148800 step time: 00:00:00.018124 Performance: 501.022 ns/day 0.048 hours/ns 28.994 steps/s 2023-02-20 02:52:40,803 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 61.06 -33516 6692.2 -40208 -40208 3.6935 3.5511 -0.20712 2.5496e+05 2023-02-20 02:52:42,878 INFO [main.py:643]
{rank 0/100} MD step = 148900 step time: 00:00:00.018106 Performance: 501.030 ns/day 0.048 hours/ns 28.995 steps/s 2023-02-20 02:52:44,434 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 60.559 -33468 6637.3 -40105 -40105 3.6981 3.5527 -0.2066 2.5518e+05 2023-02-20 02:52:46,418 INFO [main.py:643]
{rank 0/100} MD step = 149000 step time: 00:00:00.019032 Performance: 501.021 ns/day 0.048 hours/ns 28.994 steps/s 2023-02-20 02:52:47,692 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 60.09 -33524 6586 -40110 -40110 3.7038 3.5546 -0.20912 2.5534e+05 2023-02-20 02:52:49,773 INFO [main.py:643]
{rank 0/100} MD step = 149100 step time: 00:00:00.019267 Performance: 501.030 ns/day 0.048 hours/ns 28.995 steps/s 2023-02-20 02:52:51,116 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 59.954 -33623 6571 -40194 -40194 3.7096 3.5591 -0.21038 2.5551e+05 2023-02-20 02:52:53,289 INFO [main.py:643]
{rank 0/100} MD step = 149200 step time: 00:00:00.018666 Performance: 501.024 ns/day 0.048 hours/ns 28.994 steps/s 2023-02-20 02:52:54,698 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 60.334 -33424 6612.7 -40037 -40037 3.7123 3.5592 -0.21157 2.5572e+05 2023-02-20 02:52:56,889 INFO [main.py:643]
{rank 0/100} MD step = 149300 step time: 00:00:00.019781 Performance: 501.009 ns/day 0.048 hours/ns 28.994 steps/s 2023-02-20 02:52:58,138 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 149300 29860 59.734 -33599 6546.9 -40146 -40146 3.7172 3.5621 -0.21129 2.5588e+05 2023-02-20 02:53:00,360 INFO [main.py:643]
{rank 0/100} MD step = 149400 step time: 00:00:00.026074 Performance: 501.007 ns/day 0.048 hours/ns 28.993 steps/s 2023-02-20 02:53:01,738 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 59.609 -33653 6533.3 -40187 -40187 3.7229 3.5637 -0.21041 2.5605e+05 2023-02-20 02:53:04,182 INFO [main.py:643]
{rank 0/100} MD step = 149500 step time: 00:00:00.018576 Performance: 500.971 ns/day 0.048 hours/ns 28.991 steps/s 2023-02-20 02:53:05,610 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 59.503 -33608 6521.6 -40129 -40129 3.7278 3.5657 -0.21172 2.5621e+05 2023-02-20 02:53:07,690 INFO [main.py:643]
{rank 0/100} MD step = 149600 step time: 00:00:00.020101 Performance: 500.965 ns/day 0.048 hours/ns 28.991 steps/s 2023-02-20 02:53:09,327 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 59.917 -33591 6566.9 -40158 -40158 3.7323 3.5674 -0.2119 2.5639e+05 2023-02-20 02:53:11,270 INFO [main.py:643]
{rank 0/100} MD step = 149700 step time: 00:00:00.023450 Performance: 500.952 ns/day 0.048 hours/ns 28.990 steps/s 2023-02-20 02:53:12,816 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 149700 29940 60.519 -33514 6633 -40147 -40147 3.7391 3.5702 -0.21369 2.5661e+05 2023-02-20 02:53:14,838 INFO [main.py:643]
{rank 0/100} MD step = 149800 step time: 00:00:00.018056 Performance: 500.941 ns/day 0.048 hours/ns 28.990 steps/s 2023-02-20 02:53:16,408 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 60.35 -33578 6614.4 -40192 -40192 3.7434 3.5743 -0.21369 2.5675e+05 2023-02-20 02:53:18,622 INFO [main.py:643]
{rank 0/100} MD step = 149900 step time: 00:00:00.018251 Performance: 500.909 ns/day 0.048 hours/ns 28.988 steps/s 2023-02-20 02:53:20,016 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 60.41 -33526 6621 -40147 -40147 3.75 3.5768 -0.21413 2.5694e+05 2023-02-20 02:53:22,108 INFO [main.py:643]
{rank 0/100} MD step = 150000 step time: 00:00:00.019531 Performance: 500.905 ns/day 0.048 hours/ns 28.988 steps/s 2023-02-20 02:53:30,294 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 60.233 -33561 6601.6 -40162 -40162 3.7555 3.5779 -0.21482 2.5709e+05 2023-02-20 02:53:32,360 INFO [main.py:643]
{rank 0/100} MD step = 150100 step time: 00:00:00.018275 Performance: 500.248 ns/day 0.048 hours/ns 28.950 steps/s 2023-02-20 02:53:33,657 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 59.605 -33630 6532.8 -40163 -40163 3.7618 3.579 -0.2154 2.5728e+05 2023-02-20 02:53:35,638 INFO [main.py:643]
{rank 0/100} MD step = 150200 step time: 00:00:00.019002 Performance: 500.265 ns/day 0.048 hours/ns 28.951 steps/s 2023-02-20 02:53:38,583 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 60.213 -33456 6599.4 -40056 -40056 3.7658 3.5815 -0.2162 2.5745e+05 2023-02-20 02:53:40,501 INFO [main.py:643]
{rank 0/100} MD step = 150300 step time: 00:00:00.018262 Performance: 500.129 ns/day 0.048 hours/ns 28.943 steps/s 2023-02-20 02:53:42,106 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 60.183 -33725 6596.1 -40321 -40321 3.7707 3.5832 -0.21501 2.5758e+05 2023-02-20 02:53:44,030 INFO [main.py:643]
{rank 0/100} MD step = 150400 step time: 00:00:00.018351 Performance: 500.122 ns/day 0.048 hours/ns 28.942 steps/s 2023-02-20 02:53:45,298 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 60.215 -33417 6599.7 -40017 -40017 3.7746 3.584 -0.21365 2.578e+05 2023-02-20 02:53:47,341 INFO [main.py:643]
{rank 0/100} MD step = 150500 step time: 00:00:00.018173 Performance: 500.136 ns/day 0.048 hours/ns 28.943 steps/s 2023-02-20 02:53:48,779 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 59.515 -33647 6522.9 -40170 -40170 3.7783 3.5854 -0.21285 2.5794e+05 2023-02-20 02:53:50,792 INFO [main.py:643]
{rank 0/100} MD step = 150600 step time: 00:00:00.019776 Performance: 500.136 ns/day 0.048 hours/ns 28.943 steps/s 2023-02-20 02:53:52,153 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 60.498 -33527 6630.7 -40158 -40158 3.7814 3.5878 -0.21232 2.581e+05 2023-02-20 02:53:54,182 INFO [main.py:643]
{rank 0/100} MD step = 150700 step time: 00:00:00.021032 Performance: 500.143 ns/day 0.048 hours/ns 28.943 steps/s 2023-02-20 02:53:55,603 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 59.931 -33468 6568.5 -40036 -40036 3.7847 3.5899 -0.21325 2.5831e+05 2023-02-20 02:53:57,486 INFO [main.py:643]
{rank 0/100} MD step = 150800 step time: 00:00:00.017831 Performance: 500.157 ns/day 0.048 hours/ns 28.944 steps/s 2023-02-20 02:53:58,827 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 60.02 -33668 6578.3 -40246 -40246 3.7881 3.5918 -0.21267 2.5844e+05 2023-02-20 02:54:00,785 INFO [main.py:643]
{rank 0/100} MD step = 150900 step time: 00:00:00.018896 Performance: 500.172 ns/day 0.048 hours/ns 28.945 steps/s 2023-02-20 02:54:02,059 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 60.373 -33495 6617 -40112 -40112 3.7923 3.5934 -0.21264 2.5864e+05 2023-02-20 02:54:04,071 INFO [main.py:643]
{rank 0/100} MD step = 151000 step time: 00:00:00.018185 Performance: 500.188 ns/day 0.048 hours/ns 28.946 steps/s 2023-02-20 02:54:05,349 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 151000 30200 60.409 -33526 6620.9 -40147 -40147 3.797 3.5951 -0.21303 2.5881e+05 2023-02-20 02:54:07,352 INFO [main.py:643]
{rank 0/100} MD step = 151100 step time: 00:00:00.020624 Performance: 500.205 ns/day 0.048 hours/ns 28.947 steps/s 2023-02-20 02:54:08,828 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 59.366 -33474 6506.6 -39981 -39981 3.8005 3.5961 -0.21281 2.59e+05 2023-02-20 02:54:10,720 INFO [main.py:643]
{rank 0/100} MD step = 151200 step time: 00:00:00.018468 Performance: 500.213 ns/day 0.048 hours/ns 28.948 steps/s 2023-02-20 02:54:12,098 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 60.192 -33547 6597.1 -40144 -40144 3.806 3.5978 -0.21192 2.5916e+05 2023-02-20 02:54:14,123 INFO [main.py:643]
{rank 0/100} MD step = 151300 step time: 00:00:00.018208 Performance: 500.218 ns/day 0.048 hours/ns 28.948 steps/s 2023-02-20 02:54:15,786 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 59.868 -33530 6561.6 -40091 -40091 3.8093 3.5985 -0.21255 2.5934e+05 2023-02-20 02:54:17,827 INFO [main.py:643]
{rank 0/100} MD step = 151400 step time: 00:00:00.019306 Performance: 500.194 ns/day 0.048 hours/ns 28.946 steps/s 2023-02-20 02:54:19,259 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 59.614 -33584 6533.8 -40118 -40118 3.8133 3.6 -0.21226 2.5949e+05 2023-02-20 02:54:21,169 INFO [main.py:643]
{rank 0/100} MD step = 151500 step time: 00:00:00.019157 Performance: 500.205 ns/day 0.048 hours/ns 28.947 steps/s 2023-02-20 02:54:22,671 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 60.97 -33509 6682.4 -40191 -40191 3.8154 3.6013 -0.2138 2.5966e+05 2023-02-20 02:54:24,554 INFO [main.py:643]
{rank 0/100} MD step = 151600 step time: 00:00:00.019284 Performance: 500.212 ns/day 0.048 hours/ns 28.947 steps/s 2023-02-20 02:54:26,004 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 151600 30320 59.447 -33677 6515.4 -40193 -40193 3.8193 3.603 -0.21492 2.5984e+05 2023-02-20 02:54:28,079 INFO [main.py:643]
{rank 0/100} MD step = 151700 step time: 00:00:00.018079 Performance: 500.205 ns/day 0.048 hours/ns 28.947 steps/s 2023-02-20 02:54:29,564 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 59.731 -33506 6546.6 -40053 -40053 3.823 3.6042 -0.21536 2.6003e+05 2023-02-20 02:54:31,543 INFO [main.py:643]
{rank 0/100} MD step = 151800 step time: 00:00:00.018487 Performance: 500.204 ns/day 0.048 hours/ns 28.947 steps/s 2023-02-20 02:54:32,924 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 151800 30360 59.999 -33437 6576 -40013 -40013 3.8278 3.606 -0.21649 2.6023e+05 2023-02-20 02:54:34,849 INFO [main.py:643]
{rank 0/100} MD step = 151900 step time: 00:00:00.019332 Performance: 500.218 ns/day 0.048 hours/ns 28.948 steps/s 2023-02-20 02:54:36,254 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 60.022 -33660 6578.5 -40238 -40238 3.8336 3.6062 -0.21563 2.6035e+05 2023-02-20 02:54:38,323 INFO [main.py:643]
{rank 0/100} MD step = 152000 step time: 00:00:00.018671 Performance: 500.216 ns/day 0.048 hours/ns 28.948 steps/s 2023-02-20 02:54:39,657 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 59.886 -33541 6563.6 -40105 -40105 3.8374 3.6065 -0.2168 2.6054e+05 2023-02-20 02:54:41,774 INFO [main.py:643]
{rank 0/100} MD step = 152100 step time: 00:00:00.019276 Performance: 500.217 ns/day 0.048 hours/ns 28.948 steps/s 2023-02-20 02:54:43,222 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 152100 30420 60.098 -33532 6586.9 -40119 -40119 3.8426 3.6079 -0.21765 2.6069e+05 2023-02-20 02:54:45,187 INFO [main.py:643]
{rank 0/100} MD step = 152200 step time: 00:00:00.018142 Performance: 500.221 ns/day 0.048 hours/ns 28.948 steps/s 2023-02-20 02:54:46,371 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 152200 30440 59.778 -33624 6551.7 -40176 -40176 3.8475 3.6094 -0.21921 2.6085e+05 2023-02-20 02:54:48,449 INFO [main.py:643]
{rank 0/100} MD step = 152300 step time: 00:00:00.019716 Performance: 500.239 ns/day 0.048 hours/ns 28.949 steps/s 2023-02-20 02:54:50,146 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 60.293 -33510 6608.2 -40118 -40118 3.8542 3.61 -0.21925 2.6101e+05 2023-02-20 02:54:52,185 INFO [main.py:643]
{rank 0/100} MD step = 152400 step time: 00:00:00.018204 Performance: 500.212 ns/day 0.048 hours/ns 28.947 steps/s 2023-02-20 02:54:53,623 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 60.082 -33560 6585.1 -40146 -40146 3.8602 3.6092 -0.22218 2.6118e+05 2023-02-20 02:54:55,563 INFO [main.py:643]
{rank 0/100} MD step = 152500 step time: 00:00:00.026983 Performance: 500.219 ns/day 0.048 hours/ns 28.948 steps/s 2023-02-20 02:54:56,838 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 152500 30500 60.741 -33468 6657.3 -40125 -40125 3.8638 3.6104 -0.22176 2.6138e+05 2023-02-20 02:54:58,849 INFO [main.py:643]
{rank 0/100} MD step = 152600 step time: 00:00:00.018047 Performance: 500.235 ns/day 0.048 hours/ns 28.949 steps/s 2023-02-20 02:55:00,112 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 60.746 -33391 6657.9 -40049 -40049 3.8677 3.613 -0.22146 2.6157e+05 2023-02-20 02:55:02,136 INFO [main.py:643]
{rank 0/100} MD step = 152700 step time: 00:00:00.020782 Performance: 500.251 ns/day 0.048 hours/ns 28.950 steps/s 2023-02-20 02:55:04,124 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 60.965 -33395 6681.9 -40077 -40077 3.8702 3.6145 -0.21942 2.6172e+05 2023-02-20 02:55:06,096 INFO [main.py:643]
{rank 0/100} MD step = 152800 step time: 00:00:00.019092 Performance: 500.203 ns/day 0.048 hours/ns 28.947 steps/s 2023-02-20 02:55:07,362 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 58.947 -33644 6460.6 -40105 -40105 3.8746 3.6167 -0.21933 2.6185e+05 2023-02-20 02:55:09,421 INFO [main.py:643]
{rank 0/100} MD step = 152900 step time: 00:00:00.018434 Performance: 500.215 ns/day 0.048 hours/ns 28.948 steps/s 2023-02-20 02:55:10,331 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 59.789 -33531 6552.9 -40084 -40084 3.8791 3.6172 -0.21976 2.6204e+05 2023-02-20 02:55:12,878 INFO [main.py:643]
{rank 0/100} MD step = 153000 step time: 00:00:00.018455 Performance: 500.215 ns/day 0.048 hours/ns 28.948 steps/s 2023-02-20 02:55:14,092 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 59.646 -33568 6537.3 -40105 -40105 3.8843 3.6187 -0.21942 2.6221e+05 2023-02-20 02:55:16,368 INFO [main.py:643]
{rank 0/100} MD step = 153100 step time: 00:00:00.018128 Performance: 500.212 ns/day 0.048 hours/ns 28.947 steps/s 2023-02-20 02:55:17,291 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 59.849 -33605 6559.5 -40165 -40165 3.8905 3.6201 -0.2194 2.6236e+05 2023-02-20 02:55:19,720 INFO [main.py:643]
{rank 0/100} MD step = 153200 step time: 00:00:00.018526 Performance: 500.222 ns/day 0.048 hours/ns 28.948 steps/s 2023-02-20 02:55:20,989 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 153200 30640 60.588 -33431 6640.5 -40072 -40072 3.8944 3.6224 -0.21883 2.6254e+05 2023-02-20 02:55:22,958 INFO [main.py:643]
{rank 0/100} MD step = 153300 step time: 00:00:00.018281 Performance: 500.242 ns/day 0.048 hours/ns 28.949 steps/s 2023-02-20 02:55:24,363 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 59.949 -33574 6570.5 -40145 -40145 3.899 3.6251 -0.21874 2.6271e+05 2023-02-20 02:55:26,248 INFO [main.py:643]
{rank 0/100} MD step = 153400 step time: 00:00:00.018790 Performance: 500.258 ns/day 0.048 hours/ns 28.950 steps/s 2023-02-20 02:55:27,559 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 153400 30680 60.532 -33452 6634.4 -40086 -40086 3.9071 3.6274 -0.21901 2.629e+05 2023-02-20 02:55:29,575 INFO [main.py:643]
{rank 0/100} MD step = 153500 step time: 00:00:00.018163 Performance: 500.270 ns/day 0.048 hours/ns 28.951 steps/s 2023-02-20 02:55:31,262 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 60.156 -33481 6593.2 -40074 -40074 3.9101 3.6293 -0.22083 2.6306e+05 2023-02-20 02:55:33,401 INFO [main.py:643]
{rank 0/100} MD step = 153600 step time: 00:00:00.018331 Performance: 500.235 ns/day 0.048 hours/ns 28.949 steps/s 2023-02-20 02:55:34,574 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 60.327 -33551 6611.9 -40163 -40163 3.9152 3.6311 -0.22072 2.6323e+05 2023-02-20 02:55:36,580 INFO [main.py:643]
{rank 0/100} MD step = 153700 step time: 00:00:00.017967 Performance: 500.260 ns/day 0.048 hours/ns 28.950 steps/s 2023-02-20 02:55:37,973 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 60.407 -33445 6620.7 -40066 -40066 3.9206 3.6329 -0.22156 2.634e+05 2023-02-20 02:55:39,833 INFO [main.py:643]
{rank 0/100} MD step = 153800 step time: 00:00:00.018224 Performance: 500.279 ns/day 0.048 hours/ns 28.951 steps/s 2023-02-20 02:55:41,587 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 60.811 -33546 6665 -40211 -40211 3.9256 3.634 -0.22066 2.6354e+05 2023-02-20 02:55:43,482 INFO [main.py:643]
{rank 0/100} MD step = 153900 step time: 00:00:00.018308 Performance: 500.261 ns/day 0.048 hours/ns 28.950 steps/s 2023-02-20 02:55:44,796 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 153900 30780 60.196 -33459 6597.6 -40056 -40056 3.9264 3.6357 -0.22221 2.6369e+05 2023-02-20 02:55:46,736 INFO [main.py:643]
{rank 0/100} MD step = 154000 step time: 00:00:00.018154 Performance: 500.280 ns/day 0.048 hours/ns 28.951 steps/s 2023-02-20 02:55:48,025 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 60.2 -33473 6597.9 -40071 -40071 3.9311 3.637 -0.22184 2.6388e+05 2023-02-20 02:55:49,888 INFO [main.py:643]
{rank 0/100} MD step = 154100 step time: 00:00:00.018200 Performance: 500.308 ns/day 0.048 hours/ns 28.953 steps/s 2023-02-20 02:55:51,287 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 59.429 -33610 6513.5 -40123 -40123 3.9367 3.6381 -0.22194 2.6406e+05 2023-02-20 02:55:53,246 INFO [main.py:643]
{rank 0/100} MD step = 154200 step time: 00:00:00.017995 Performance: 500.317 ns/day 0.048 hours/ns 28.954 steps/s 2023-02-20 02:55:54,626 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 59.945 -33564 6570.1 -40134 -40134 3.9399 3.6379 -0.22169 2.6422e+05 2023-02-20 02:55:56,449 INFO [main.py:643]
{rank 0/100} MD step = 154300 step time: 00:00:00.017940 Performance: 500.341 ns/day 0.048 hours/ns 28.955 steps/s 2023-02-20 02:55:57,678 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 59.891 -33488 6564.2 -40052 -40052 3.9437 3.6385 -0.22201 2.6442e+05 2023-02-20 02:55:59,646 INFO [main.py:643]
{rank 0/100} MD step = 154400 step time: 00:00:00.018080 Performance: 500.365 ns/day 0.048 hours/ns 28.956 steps/s 2023-02-20 02:56:12,518 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 154400 30880 60.044 -33556 6580.9 -40137 -40137 3.9455 3.6391 -0.22086 2.6453e+05 2023-02-20 02:56:14,740 INFO [main.py:643]
{rank 0/100} MD step = 154500 step time: 00:00:00.018083 Performance: 499.276 ns/day 0.048 hours/ns 28.893 steps/s 2023-02-20 02:56:16,030 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 60.543 -33392 6635.5 -40028 -40028 3.947 3.6396 -0.22083 2.6471e+05 2023-02-20 02:56:17,985 INFO [main.py:643]
{rank 0/100} MD step = 154600 step time: 00:00:00.054826 Performance: 499.296 ns/day 0.048 hours/ns 28.894 steps/s 2023-02-20 02:56:19,295 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 58.976 -33606 6463.9 -40070 -40070 3.9515 3.6417 -0.22003 2.6489e+05 2023-02-20 02:56:21,153 INFO [main.py:643]
{rank 0/100} MD step = 154700 step time: 00:00:00.018577 Performance: 499.323 ns/day 0.048 hours/ns 28.896 steps/s 2023-02-20 02:56:22,337 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 59.911 -33633 6566.3 -40199 -40199 3.9577 3.644 -0.21954 2.6506e+05 2023-02-20 02:56:24,326 INFO [main.py:643]
{rank 0/100} MD step = 154800 step time: 00:00:00.018162 Performance: 499.350 ns/day 0.048 hours/ns 28.898 steps/s 2023-02-20 02:56:25,842 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 61.346 -33422 6723.6 -40145 -40145 3.9624 3.6446 -0.22029 2.6521e+05 2023-02-20 02:56:27,665 INFO [main.py:643]
{rank 0/100} MD step = 154900 step time: 00:00:00.018398 Performance: 499.361 ns/day 0.048 hours/ns 28.898 steps/s 2023-02-20 02:56:28,872 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 60.141 -33528 6591.5 -40119 -40119 3.9652 3.6459 -0.21826 2.6538e+05 2023-02-20 02:56:30,784 INFO [main.py:643]
{rank 0/100} MD step = 155000 step time: 00:00:00.018347 Performance: 499.393 ns/day 0.048 hours/ns 28.900 steps/s 2023-02-20 02:56:32,137 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 155000 31000 59.737 -33603 6547.2 -40150 -40150 3.9705 3.6478 -0.21916 2.6552e+05 2023-02-20 02:56:33,970 INFO [main.py:643]
{rank 0/100} MD step = 155100 step time: 00:00:00.018192 Performance: 499.419 ns/day 0.048 hours/ns 28.902 steps/s 2023-02-20 02:56:35,323 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 155100 31020 59.957 -33654 6571.4 -40225 -40225 3.9729 3.6485 -0.22086 2.6564e+05 2023-02-20 02:56:37,225 INFO [main.py:643]
{rank 0/100} MD step = 155200 step time: 00:00:00.017960 Performance: 499.438 ns/day 0.048 hours/ns 28.903 steps/s 2023-02-20 02:56:38,446 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 61.002 -33438 6685.9 -40124 -40124 3.976 3.6512 -0.2191 2.6586e+05 2023-02-20 02:56:40,430 INFO [main.py:643]
{rank 0/100} MD step = 155300 step time: 00:00:00.018013 Performance: 499.461 ns/day 0.048 hours/ns 28.904 steps/s 2023-02-20 02:56:41,675 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 155300 31060 59.672 -33606 6540.2 -40146 -40146 3.9779 3.6537 -0.21733 2.6603e+05 2023-02-20 02:56:43,644 INFO [main.py:643]
{rank 0/100} MD step = 155400 step time: 00:00:00.018357 Performance: 499.484 ns/day 0.048 hours/ns 28.905 steps/s 2023-02-20 02:56:44,863 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 155400 31080 60.147 -33574 6592.2 -40166 -40166 3.9835 3.6553 -0.21733 2.662e+05 2023-02-20 02:56:46,811 INFO [main.py:643]
{rank 0/100} MD step = 155500 step time: 00:00:00.018131 Performance: 499.511 ns/day 0.048 hours/ns 28.907 steps/s 2023-02-20 02:56:48,055 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 59.299 -33707 6499.2 -40207 -40207 3.9871 3.6572 -0.21744 2.6638e+05 2023-02-20 02:56:50,068 INFO [main.py:643]
{rank 0/100} MD step = 155600 step time: 00:00:00.018202 Performance: 499.530 ns/day 0.048 hours/ns 28.908 steps/s 2023-02-20 02:56:51,173 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 60.143 -33571 6591.7 -40163 -40163 3.9922 3.659 -0.21785 2.6659e+05 2023-02-20 02:56:53,150 INFO [main.py:643]
{rank 0/100} MD step = 155700 step time: 00:00:00.018327 Performance: 499.565 ns/day 0.048 hours/ns 28.910 steps/s 2023-02-20 02:56:54,427 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 59.577 -33589 6529.7 -40119 -40119 3.9967 3.6603 -0.21758 2.6673e+05 2023-02-20 02:56:56,319 INFO [main.py:643]
{rank 0/100} MD step = 155800 step time: 00:00:00.017990 Performance: 499.592 ns/day 0.048 hours/ns 28.912 steps/s 2023-02-20 02:56:57,558 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 59.503 -33587 6521.6 -40108 -40108 3.9993 3.6641 -0.2167 2.6692e+05 2023-02-20 02:56:59,498 INFO [main.py:643]
{rank 0/100} MD step = 155900 step time: 00:00:00.017951 Performance: 499.618 ns/day 0.048 hours/ns 28.913 steps/s 2023-02-20 02:57:00,751 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 59.863 -33589 6561.1 -40150 -40150 4.0012 3.6661 -0.2182 2.6707e+05 2023-02-20 02:57:02,714 INFO [main.py:643]
{rank 0/100} MD step = 156000 step time: 00:00:00.018066 Performance: 499.640 ns/day 0.048 hours/ns 28.914 steps/s 2023-02-20 02:57:03,993 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 156000 31200 60.399 -33479 6619.8 -40099 -40099 4.0057 3.6661 -0.21922 2.6725e+05 2023-02-20 02:57:05,920 INFO [main.py:643]
{rank 0/100} MD step = 156100 step time: 00:00:00.018054 Performance: 499.664 ns/day 0.048 hours/ns 28.916 steps/s 2023-02-20 02:57:07,130 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 59.932 -33666 6568.6 -40235 -40235 4.0092 3.6678 -0.21978 2.674e+05 2023-02-20 02:57:09,092 INFO [main.py:643]
{rank 0/100} MD step = 156200 step time: 00:00:00.018086 Performance: 499.690 ns/day 0.048 hours/ns 28.917 steps/s 2023-02-20 02:57:10,359 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 60.232 -33507 6601.5 -40109 -40109 4.0115 3.6692 -0.21839 2.6761e+05 2023-02-20 02:57:12,272 INFO [main.py:643]
{rank 0/100} MD step = 156300 step time: 00:00:00.018217 Performance: 499.716 ns/day 0.048 hours/ns 28.919 steps/s 2023-02-20 02:57:14,335 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 59.939 -33533 6569.4 -40102 -40102 4.0148 3.672 -0.21944 2.6778e+05 2023-02-20 02:57:16,146 INFO [main.py:643]
{rank 0/100} MD step = 156400 step time: 00:00:00.018274 Performance: 499.678 ns/day 0.048 hours/ns 28.917 steps/s 2023-02-20 02:57:17,489 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 60.034 -33621 6579.8 -40201 -40201 4.0186 3.6744 -0.21982 2.6792e+05 2023-02-20 02:57:19,354 INFO [main.py:643]
{rank 0/100} MD step = 156500 step time: 00:00:00.018174 Performance: 499.701 ns/day 0.048 hours/ns 28.918 steps/s 2023-02-20 02:57:20,645 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 59.22 -33628 6490.6 -40119 -40119 4.0228 3.676 -0.22058 2.681e+05 2023-02-20 02:57:22,554 INFO [main.py:643]
{rank 0/100} MD step = 156600 step time: 00:00:00.018258 Performance: 499.724 ns/day 0.048 hours/ns 28.919 steps/s 2023-02-20 02:57:23,919 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 59.981 -33527 6574 -40101 -40101 4.0266 3.6759 -0.21921 2.6828e+05 2023-02-20 02:57:25,829 INFO [main.py:643]
{rank 0/100} MD step = 156700 step time: 00:00:00.018172 Performance: 499.741 ns/day 0.048 hours/ns 28.920 steps/s 2023-02-20 02:57:27,215 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 60.13 -33507 6590.3 -40097 -40097 4.0301 3.6794 -0.21827 2.6845e+05 2023-02-20 02:57:29,104 INFO [main.py:643]
{rank 0/100} MD step = 156800 step time: 00:00:00.017991 Performance: 499.758 ns/day 0.048 hours/ns 28.921 steps/s 2023-02-20 02:57:30,357 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 60.193 -33453 6597.2 -40051 -40051 4.0352 3.6817 -0.2194 2.6861e+05 2023-02-20 02:57:32,289 INFO [main.py:643]
{rank 0/100} MD step = 156900 step time: 00:00:00.018001 Performance: 499.783 ns/day 0.048 hours/ns 28.923 steps/s 2023-02-20 02:57:33,565 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 59.08 -33595 6475.3 -40070 -40070 4.0385 3.6837 -0.21886 2.6881e+05 2023-02-20 02:57:35,565 INFO [main.py:643]
{rank 0/100} MD step = 157000 step time: 00:00:00.018128 Performance: 499.800 ns/day 0.048 hours/ns 28.924 steps/s 2023-02-20 02:57:37,148 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 59.501 -33700 6521.4 -40221 -40221 4.0388 3.6865 -0.21928 2.6894e+05 2023-02-20 02:57:38,999 INFO [main.py:643]
{rank 0/100} MD step = 157100 step time: 00:00:00.017956 Performance: 499.802 ns/day 0.048 hours/ns 28.924 steps/s 2023-02-20 02:57:40,271 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 60.351 -33378 6614.5 -39993 -39993 4.0438 3.6877 -0.21976 2.6915e+05 2023-02-20 02:57:42,109 INFO [main.py:643]
{rank 0/100} MD step = 157200 step time: 00:00:00.018038 Performance: 499.834 ns/day 0.048 hours/ns 28.926 steps/s 2023-02-20 02:57:43,451 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 59.38 -33637 6508.1 -40145 -40145 4.0493 3.6881 -0.21925 2.693e+05 2023-02-20 02:57:45,361 INFO [main.py:643]
{rank 0/100} MD step = 157300 step time: 00:00:00.017997 Performance: 499.853 ns/day 0.048 hours/ns 28.927 steps/s 2023-02-20 02:57:46,705 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 60.219 -33578 6600 -40178 -40178 4.0503 3.6894 -0.219 2.6946e+05 2023-02-20 02:57:48,829 INFO [main.py:643]
{rank 0/100} MD step = 157400 step time: 00:00:00.024288 Performance: 499.852 ns/day 0.048 hours/ns 28.927 steps/s 2023-02-20 02:57:50,019 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 59.464 -33510 6517.3 -40027 -40027 4.054 3.6916 -0.21895 2.6965e+05 2023-02-20 02:57:51,939 INFO [main.py:643]
{rank 0/100} MD step = 157500 step time: 00:00:00.018252 Performance: 499.884 ns/day 0.048 hours/ns 28.928 steps/s 2023-02-20 02:57:53,242 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 59.255 -33620 6494.4 -40115 -40115 4.0595 3.6935 -0.21801 2.698e+05 2023-02-20 02:57:55,077 INFO [main.py:643]
{rank 0/100} MD step = 157600 step time: 00:00:00.018324 Performance: 499.913 ns/day 0.048 hours/ns 28.930 steps/s 2023-02-20 02:57:56,765 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 59.93 -33730 6568.4 -40298 -40298 4.0629 3.6956 -0.21699 2.6993e+05 2023-02-20 02:57:58,635 INFO [main.py:643]
{rank 0/100} MD step = 157700 step time: 00:00:00.018078 Performance: 499.904 ns/day 0.048 hours/ns 28.930 steps/s 2023-02-20 02:57:59,873 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 60.388 -33388 6618.6 -40006 -40006 4.0687 3.698 -0.21437 2.7014e+05 2023-02-20 02:58:01,823 INFO [main.py:643]
{rank 0/100} MD step = 157800 step time: 00:00:00.018107 Performance: 499.928 ns/day 0.048 hours/ns 28.931 steps/s 2023-02-20 02:58:03,157 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 60.319 -33470 6611 -40081 -40081 4.073 3.6996 -0.21455 2.7029e+05 2023-02-20 02:58:04,994 INFO [main.py:643]
{rank 0/100} MD step = 157900 step time: 00:00:00.018103 Performance: 499.955 ns/day 0.048 hours/ns 28.933 steps/s 2023-02-20 02:58:09,595 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 61.398 -33430 6729.4 -40159 -40159 4.0764 3.7016 -0.21502 2.7045e+05 2023-02-20 02:58:11,520 INFO [main.py:643]
{rank 0/100} MD step = 158000 step time: 00:00:00.018129 Performance: 499.674 ns/day 0.048 hours/ns 28.916 steps/s 2023-02-20 02:58:12,749 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 59.407 -33492 6511 -40003 -40003 4.0814 3.7022 -0.21418 2.7064e+05 2023-02-20 02:58:14,672 INFO [main.py:643]
{rank 0/100} MD step = 158100 step time: 00:00:00.018127 Performance: 499.702 ns/day 0.048 hours/ns 28.918 steps/s 2023-02-20 02:58:15,957 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 58.92 -33577 6457.7 -40035 -40035 4.0857 3.7034 -0.21325 2.708e+05 2023-02-20 02:58:17,802 INFO [main.py:643]
{rank 0/100} MD step = 158200 step time: 00:00:00.017736 Performance: 499.732 ns/day 0.048 hours/ns 28.920 steps/s 2023-02-20 02:58:18,993 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 59.751 -33548 6548.8 -40097 -40097 4.0898 3.7045 -0.21402 2.7094e+05 2023-02-20 02:58:20,922 INFO [main.py:643]
{rank 0/100} MD step = 158300 step time: 00:00:00.017925 Performance: 499.762 ns/day 0.048 hours/ns 28.921 steps/s 2023-02-20 02:58:22,222 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 158300 31660 60.436 -33542 6623.9 -40166 -40166 4.0956 3.7057 -0.21305 2.7111e+05 2023-02-20 02:58:24,167 INFO [main.py:643]
{rank 0/100} MD step = 158400 step time: 00:00:00.018251 Performance: 499.782 ns/day 0.048 hours/ns 28.923 steps/s 2023-02-20 02:58:25,436 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 158400 31680 60.123 -33525 6589.5 -40114 -40114 4.097 3.7073 -0.2135 2.713e+05 2023-02-20 02:58:27,283 INFO [main.py:643]
{rank 0/100} MD step = 158500 step time: 00:00:00.018133 Performance: 499.813 ns/day 0.048 hours/ns 28.924 steps/s 2023-02-20 02:58:31,177 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 158500 31700 59.711 -33681 6544.4 -40226 -40226 4.1006 3.7081 -0.21275 2.7144e+05 2023-02-20 02:58:33,673 INFO [main.py:643]
{rank 0/100} MD step = 158600 step time: 00:00:00.018140 Performance: 499.546 ns/day 0.048 hours/ns 28.909 steps/s 2023-02-20 02:58:35,057 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 60.012 -33493 6577.4 -40071 -40071 4.1044 3.708 -0.21323 2.7163e+05 2023-02-20 02:58:36,896 INFO [main.py:643]
{rank 0/100} MD step = 158700 step time: 00:00:00.017882 Performance: 499.567 ns/day 0.048 hours/ns 28.910 steps/s 2023-02-20 02:58:41,244 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 60.49 -33585 6629.8 -40214 -40214 4.1109 3.7097 -0.21255 2.7178e+05 2023-02-20 02:58:43,436 INFO [main.py:643]
{rank 0/100} MD step = 158800 step time: 00:00:00.018073 Performance: 499.287 ns/day 0.048 hours/ns 28.894 steps/s 2023-02-20 02:58:44,737 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 60.438 -33534 6624.1 -40158 -40158 4.1136 3.7112 -0.21434 2.7196e+05 2023-02-20 02:58:46,554 INFO [main.py:643]
{rank 0/100} MD step = 158900 step time: 00:00:00.017932 Performance: 499.318 ns/day 0.048 hours/ns 28.896 steps/s 2023-02-20 02:58:47,982 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 158900 31780 59.656 -33540 6538.3 -40078 -40078 4.1172 3.7137 -0.21287 2.7214e+05 2023-02-20 02:58:49,903 INFO [main.py:643]
{rank 0/100} MD step = 159000 step time: 00:00:00.017893 Performance: 499.329 ns/day 0.048 hours/ns 28.896 steps/s 2023-02-20 02:58:51,353 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 59.276 -33648 6496.8 -40145 -40145 4.1195 3.7157 -0.21255 2.7227e+05 2023-02-20 02:58:53,292 INFO [main.py:643]
{rank 0/100} MD step = 159100 step time: 00:00:00.018291 Performance: 499.335 ns/day 0.048 hours/ns 28.897 steps/s 2023-02-20 02:58:54,795 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 59.607 -33602 6533 -40135 -40135 4.1218 3.7162 -0.21277 2.7244e+05 2023-02-20 02:58:56,751 INFO [main.py:643]
{rank 0/100} MD step = 159200 step time: 00:00:00.018002 Performance: 499.335 ns/day 0.048 hours/ns 28.897 steps/s 2023-02-20 02:58:58,160 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 59.9 -33687 6565.1 -40252 -40252 4.1256 3.7169 -0.21159 2.7259e+05 2023-02-20 02:59:00,010 INFO [main.py:643]
{rank 0/100} MD step = 159300 step time: 00:00:00.018146 Performance: 499.353 ns/day 0.048 hours/ns 28.898 steps/s 2023-02-20 02:59:01,323 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 60.574 -33326 6639 -39965 -39965 4.1285 3.7188 -0.21307 2.728e+05 2023-02-20 02:59:03,224 INFO [main.py:643]
{rank 0/100} MD step = 159400 step time: 00:00:00.018642 Performance: 499.376 ns/day 0.048 hours/ns 28.899 steps/s 2023-02-20 02:59:04,556 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 59.649 -33547 6537.6 -40085 -40085 4.1323 3.7234 -0.2131 2.7295e+05 2023-02-20 02:59:06,382 INFO [main.py:643]
{rank 0/100} MD step = 159500 step time: 00:00:00.018063 Performance: 499.403 ns/day 0.048 hours/ns 28.901 steps/s 2023-02-20 02:59:07,686 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 59.13 -33735 6480.7 -40215 -40215 4.1358 3.7252 -0.21196 2.7312e+05 2023-02-20 02:59:09,612 INFO [main.py:643]
{rank 0/100} MD step = 159600 step time: 00:00:00.018485 Performance: 499.424 ns/day 0.048 hours/ns 28.902 steps/s 2023-02-20 02:59:11,062 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 59.757 -33605 6549.5 -40155 -40155 4.1385 3.7267 -0.212 2.7331e+05 2023-02-20 02:59:12,931 INFO [main.py:643]
{rank 0/100} MD step = 159700 step time: 00:00:00.017804 Performance: 499.437 ns/day 0.048 hours/ns 28.903 steps/s 2023-02-20 02:59:14,308 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 59.879 -33515 6562.8 -40078 -40078 4.1444 3.7272 -0.21226 2.735e+05 2023-02-20 02:59:16,196 INFO [main.py:643]
{rank 0/100} MD step = 159800 step time: 00:00:00.017954 Performance: 499.454 ns/day 0.048 hours/ns 28.904 steps/s 2023-02-20 02:59:17,391 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 60.891 -33295 6673.8 -39969 -39969 4.1468 3.7292 -0.21326 2.737e+05 2023-02-20 02:59:19,501 INFO [main.py:643]
{rank 0/100} MD step = 159900 step time: 00:00:00.018466 Performance: 499.468 ns/day 0.048 hours/ns 28.904 steps/s 2023-02-20 02:59:20,883 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 59.863 -33451 6561.1 -40012 -40012 4.1516 3.7328 -0.21482 2.7386e+05 2023-02-20 02:59:22,805 INFO [main.py:643]
{rank 0/100} MD step = 160000 step time: 00:00:00.018242 Performance: 499.482 ns/day 0.048 hours/ns 28.905 steps/s 2023-02-20 02:59:24,313 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 58.79 -33684 6443.4 -40127 -40127 4.156 3.736 -0.2136 2.7401e+05 2023-02-20 02:59:26,259 INFO [main.py:643]
{rank 0/100} MD step = 160100 step time: 00:00:00.018140 Performance: 499.483 ns/day 0.048 hours/ns 28.905 steps/s 2023-02-20 02:59:27,845 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 160100 32020 60.335 -33554 6612.7 -40167 -40167 4.1584 3.7357 -0.21404 2.7418e+05 2023-02-20 02:59:29,681 INFO [main.py:643]
{rank 0/100} MD step = 160200 step time: 00:00:00.018018 Performance: 499.486 ns/day 0.048 hours/ns 28.905 steps/s 2023-02-20 02:59:31,001 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 59.694 -33556 6542.6 -40099 -40099 4.1628 3.7382 -0.21254 2.7437e+05 2023-02-20 02:59:32,889 INFO [main.py:643]
{rank 0/100} MD step = 160300 step time: 00:00:00.018004 Performance: 499.509 ns/day 0.048 hours/ns 28.907 steps/s 2023-02-20 02:59:34,217 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 60.151 -33516 6592.6 -40109 -40109 4.1669 3.7415 -0.21229 2.746e+05 2023-02-20 02:59:36,111 INFO [main.py:643]
{rank 0/100} MD step = 160400 step time: 00:00:00.017994 Performance: 499.530 ns/day 0.048 hours/ns 28.908 steps/s 2023-02-20 02:59:37,381 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 60.093 -33468 6586.2 -40054 -40054 4.1698 3.744 -0.21511 2.7475e+05 2023-02-20 02:59:39,310 INFO [main.py:643]
{rank 0/100} MD step = 160500 step time: 00:00:00.017974 Performance: 499.554 ns/day 0.048 hours/ns 28.909 steps/s 2023-02-20 02:59:40,810 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 60.145 -33489 6592 -40081 -40081 4.1735 3.7448 -0.21512 2.7491e+05 2023-02-20 02:59:42,723 INFO [main.py:643]
{rank 0/100} MD step = 160600 step time: 00:00:00.019135 Performance: 499.558 ns/day 0.048 hours/ns 28.910 steps/s 2023-02-20 02:59:43,973 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 60.395 -33445 6619.3 -40064 -40064 4.1771 3.7471 -0.21536 2.7505e+05 2023-02-20 02:59:45,912 INFO [main.py:643]
{rank 0/100} MD step = 160700 step time: 00:00:00.018142 Performance: 499.582 ns/day 0.048 hours/ns 28.911 steps/s 2023-02-20 02:59:47,174 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 59.842 -33594 6558.7 -40153 -40153 4.1803 3.7489 -0.21655 2.7522e+05 2023-02-20 02:59:49,088 INFO [main.py:643]
{rank 0/100} MD step = 160800 step time: 00:00:00.018156 Performance: 499.607 ns/day 0.048 hours/ns 28.912 steps/s 2023-02-20 02:59:50,553 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 160800 32160 61.136 -33445 6700.6 -40146 -40146 4.1838 3.7507 -0.21897 2.7541e+05 2023-02-20 02:59:52,435 INFO [main.py:643]
{rank 0/100} MD step = 160900 step time: 00:00:00.019027 Performance: 499.617 ns/day 0.048 hours/ns 28.913 steps/s 2023-02-20 02:59:53,849 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 60.01 -33488 6577.2 -40065 -40065 4.1887 3.7525 -0.22083 2.7555e+05 2023-02-20 02:59:55,679 INFO [main.py:643]
{rank 0/100} MD step = 161000 step time: 00:00:00.018707 Performance: 499.637 ns/day 0.048 hours/ns 28.914 steps/s 2023-02-20 02:59:56,977 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 59.931 -33631 6568.5 -40199 -40199 4.1928 3.7537 -0.21896 2.7571e+05 2023-02-20 02:59:58,882 INFO [main.py:643]
{rank 0/100} MD step = 161100 step time: 00:00:00.018164 Performance: 499.660 ns/day 0.048 hours/ns 28.915 steps/s 2023-02-20 03:00:00,474 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 60.766 -33537 6660 -40197 -40197 4.1989 3.7569 -0.21821 2.7588e+05 2023-02-20 03:00:02,289 INFO [main.py:643]
{rank 0/100} MD step = 161200 step time: 00:00:00.018124 Performance: 499.664 ns/day 0.048 hours/ns 28.916 steps/s 2023-02-20 03:00:03,659 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 59.298 -33527 6499.1 -40026 -40026 4.2033 3.7597 -0.21813 2.7609e+05 2023-02-20 03:00:05,553 INFO [main.py:643]
{rank 0/100} MD step = 161300 step time: 00:00:00.018137 Performance: 499.682 ns/day 0.048 hours/ns 28.917 steps/s 2023-02-20 03:00:06,816 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 161300 32260 60.099 -33362 6586.9 -39949 -39949 4.2093 3.7613 -0.22008 2.7631e+05 2023-02-20 03:00:08,724 INFO [main.py:643]
{rank 0/100} MD step = 161400 step time: 00:00:00.018317 Performance: 499.707 ns/day 0.048 hours/ns 28.918 steps/s 2023-02-20 03:00:10,126 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 161400 32280 60.352 -33552 6614.7 -40166 -40166 4.2124 3.7649 -0.22104 2.7644e+05 2023-02-20 03:00:12,269 INFO [main.py:643]
{rank 0/100} MD step = 161500 step time: 00:00:00.018056 Performance: 499.700 ns/day 0.048 hours/ns 28.918 steps/s 2023-02-20 03:00:13,483 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 59.15 -33724 6482.9 -40207 -40207 4.217 3.7662 -0.22347 2.7658e+05 2023-02-20 03:00:15,415 INFO [main.py:643]
{rank 0/100} MD step = 161600 step time: 00:00:00.018102 Performance: 499.727 ns/day 0.048 hours/ns 28.919 steps/s 2023-02-20 03:00:16,846 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 58.871 -33685 6452.4 -40137 -40137 4.22 3.7652 -0.22472 2.7681e+05 2023-02-20 03:00:18,768 INFO [main.py:643]
{rank 0/100} MD step = 161700 step time: 00:00:00.018107 Performance: 499.737 ns/day 0.048 hours/ns 28.920 steps/s 2023-02-20 03:00:20,562 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 59.546 -33617 6526.4 -40144 -40144 4.2223 3.7662 -0.22594 2.7697e+05 2023-02-20 03:00:22,501 INFO [main.py:643]
{rank 0/100} MD step = 161800 step time: 00:00:00.018159 Performance: 499.712 ns/day 0.048 hours/ns 28.919 steps/s 2023-02-20 03:00:23,867 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 59.875 -33572 6562.3 -40135 -40135 4.2279 3.7685 -0.22514 2.7714e+05 2023-02-20 03:00:25,706 INFO [main.py:643]
{rank 0/100} MD step = 161900 step time: 00:00:00.019055 Performance: 499.735 ns/day 0.048 hours/ns 28.920 steps/s 2023-02-20 03:00:27,077 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 59.647 -33555 6537.4 -40092 -40092 4.2311 3.7703 -0.22649 2.7729e+05 2023-02-20 03:00:28,988 INFO [main.py:643]
{rank 0/100} MD step = 162000 step time: 00:00:00.018075 Performance: 499.751 ns/day 0.048 hours/ns 28.921 steps/s 2023-02-20 03:00:30,274 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 162000 32400 59.744 -33610 6548 -40158 -40158 4.2362 3.7711 -0.22613 2.7746e+05 2023-02-20 03:00:32,237 INFO [main.py:643]
{rank 0/100} MD step = 162100 step time: 00:00:00.018130 Performance: 499.769 ns/day 0.048 hours/ns 28.922 steps/s 2023-02-20 03:00:33,506 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 60.011 -33497 6577.2 -40074 -40074 4.2398 3.7713 -0.22729 2.7765e+05 2023-02-20 03:00:35,435 INFO [main.py:643]
{rank 0/100} MD step = 162200 step time: 00:00:00.018255 Performance: 499.792 ns/day 0.048 hours/ns 28.923 steps/s 2023-02-20 03:00:36,899 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 60.685 -33562 6651.2 -40213 -40213 4.2429 3.7719 -0.22693 2.7782e+05 2023-02-20 03:00:38,879 INFO [main.py:643]
{rank 0/100} MD step = 162300 step time: 00:00:00.017954 Performance: 499.794 ns/day 0.048 hours/ns 28.923 steps/s 2023-02-20 03:00:40,011 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 59.868 -33451 6561.7 -40012 -40012 4.2496 3.7738 -0.22617 2.7803e+05 2023-02-20 03:00:42,112 INFO [main.py:643]
{rank 0/100} MD step = 162400 step time: 00:00:00.018006 Performance: 499.813 ns/day 0.048 hours/ns 28.924 steps/s 2023-02-20 03:00:43,551 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 59.327 -33529 6502.4 -40031 -40031 4.2516 3.7749 -0.22782 2.7819e+05 2023-02-20 03:00:45,376 INFO [main.py:643]
{rank 0/100} MD step = 162500 step time: 00:00:00.019911 Performance: 499.831 ns/day 0.048 hours/ns 28.925 steps/s 2023-02-20 03:00:46,793 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 59.614 -33710 6533.7 -40244 -40244 4.2565 3.7765 -0.22782 2.7832e+05 2023-02-20 03:00:48,640 INFO [main.py:643]
{rank 0/100} MD step = 162600 step time: 00:00:00.018257 Performance: 499.848 ns/day 0.048 hours/ns 28.926 steps/s 2023-02-20 03:00:49,880 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 60.146 -33594 6592.1 -40186 -40186 4.2605 3.7765 -0.22679 2.7853e+05 2023-02-20 03:00:51,833 INFO [main.py:643]
{rank 0/100} MD step = 162700 step time: 00:00:00.018343 Performance: 499.871 ns/day 0.048 hours/ns 28.928 steps/s 2023-02-20 03:00:53,094 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 162700 32540 61.076 -33523 6694 -40217 -40217 4.2631 3.7785 -0.22703 2.7867e+05 2023-02-20 03:00:55,035 INFO [main.py:643]
{rank 0/100} MD step = 162800 step time: 00:00:00.018134 Performance: 499.894 ns/day 0.048 hours/ns 28.929 steps/s 2023-02-20 03:00:56,458 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 60.631 -33371 6645.2 -40017 -40017 4.2676 3.7829 -0.22712 2.7885e+05 2023-02-20 03:00:58,311 INFO [main.py:643]
{rank 0/100} MD step = 162900 step time: 00:00:00.018087 Performance: 499.910 ns/day 0.048 hours/ns 28.930 steps/s 2023-02-20 03:00:59,811 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 60.038 -33514 6580.3 -40094 -40094 4.2729 3.7872 -0.229 2.7905e+05 2023-02-20 03:01:01,628 INFO [main.py:643]
{rank 0/100} MD step = 163000 step time: 00:00:00.018233 Performance: 499.922 ns/day 0.048 hours/ns 28.931 steps/s 2023-02-20 03:01:02,922 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 60.148 -33557 6592.3 -40149 -40149 4.2761 3.7879 -0.23106 2.7918e+05 2023-02-20 03:01:04,744 INFO [main.py:643]
{rank 0/100} MD step = 163100 step time: 00:00:00.018142 Performance: 499.953 ns/day 0.048 hours/ns 28.932 steps/s 2023-02-20 03:01:06,060 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 59.857 -33447 6560.4 -40007 -40007 4.2784 3.7895 -0.23081 2.7937e+05 2023-02-20 03:01:07,956 INFO [main.py:643]
{rank 0/100} MD step = 163200 step time: 00:00:00.020663 Performance: 499.974 ns/day 0.048 hours/ns 28.934 steps/s 2023-02-20 03:01:09,316 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 60.042 -33621 6580.7 -40202 -40202 4.2811 3.7931 -0.23091 2.7952e+05 2023-02-20 03:01:11,304 INFO [main.py:643]
{rank 0/100} MD step = 163300 step time: 00:00:00.020230 Performance: 499.984 ns/day 0.048 hours/ns 28.934 steps/s 2023-02-20 03:01:12,922 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 59.549 -33791 6526.7 -40317 -40317 4.2863 3.7936 -0.23045 2.7969e+05 2023-02-20 03:01:14,740 INFO [main.py:643]
{rank 0/100} MD step = 163400 step time: 00:00:00.018073 Performance: 499.986 ns/day 0.048 hours/ns 28.934 steps/s 2023-02-20 03:01:16,208 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 59.973 -33520 6573.1 -40094 -40094 4.2877 3.7954 -0.22905 2.7989e+05 2023-02-20 03:01:18,115 INFO [main.py:643]
{rank 0/100} MD step = 163500 step time: 00:00:00.018329 Performance: 499.993 ns/day 0.048 hours/ns 28.935 steps/s 2023-02-20 03:01:19,444 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 59.229 -33711 6491.6 -40202 -40202 4.2927 3.797 -0.22811 2.8005e+05 2023-02-20 03:01:21,336 INFO [main.py:643]
{rank 0/100} MD step = 163600 step time: 00:00:00.018027 Performance: 500.014 ns/day 0.048 hours/ns 28.936 steps/s 2023-02-20 03:01:22,705 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 60.021 -33587 6578.4 -40165 -40165 4.2983 3.7999 -0.22862 2.8025e+05 2023-02-20 03:01:25,364 INFO [main.py:643]
{rank 0/100} MD step = 163700 step time: 00:00:00.018094 Performance: 499.963 ns/day 0.048 hours/ns 28.933 steps/s 2023-02-20 03:01:26,642 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 163700 32740 59.418 -33674 6512.2 -40186 -40186 4.3001 3.8002 -0.22849 2.8039e+05 2023-02-20 03:01:28,492 INFO [main.py:643]
{rank 0/100} MD step = 163800 step time: 00:00:00.018257 Performance: 499.992 ns/day 0.048 hours/ns 28.935 steps/s 2023-02-20 03:01:29,768 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 59.952 -33543 6570.8 -40114 -40114 4.3026 3.8017 -0.22898 2.806e+05 2023-02-20 03:01:31,684 INFO [main.py:643]
{rank 0/100} MD step = 163900 step time: 00:00:00.018051 Performance: 500.015 ns/day 0.048 hours/ns 28.936 steps/s 2023-02-20 03:01:32,980 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 59.861 -33569 6560.8 -40129 -40129 4.3066 3.803 -0.22957 2.8075e+05 2023-02-20 03:01:34,927 INFO [main.py:643]
{rank 0/100} MD step = 164000 step time: 00:00:00.018175 Performance: 500.034 ns/day 0.048 hours/ns 28.937 steps/s 2023-02-20 03:01:36,239 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 60.189 -33678 6596.7 -40275 -40275 4.3105 3.8055 -0.23089 2.809e+05 2023-02-20 03:01:38,063 INFO [main.py:643]
{rank 0/100} MD step = 164100 step time: 00:00:00.019970 Performance: 500.062 ns/day 0.048 hours/ns 28.939 steps/s 2023-02-20 03:01:39,360 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 60.705 -33418 6653.4 -40071 -40071 4.3143 3.8075 -0.23058 2.8113e+05 2023-02-20 03:01:41,221 INFO [main.py:643]
{rank 0/100} MD step = 164200 step time: 00:00:00.017981 Performance: 500.089 ns/day 0.048 hours/ns 28.940 steps/s 2023-02-20 03:01:42,031 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 60.658 -33450 6648.1 -40098 -40098 4.3178 3.8081 -0.2318 2.813e+05 2023-02-20 03:01:44,376 INFO [main.py:643]
{rank 0/100} MD step = 164300 step time: 00:00:00.018147 Performance: 500.115 ns/day 0.048 hours/ns 28.942 steps/s 2023-02-20 03:01:45,773 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 59.971 -33602 6572.9 -40174 -40174 4.3237 3.8083 -0.23122 2.8147e+05 2023-02-20 03:01:47,734 INFO [main.py:643]
{rank 0/100} MD step = 164400 step time: 00:00:00.018158 Performance: 500.124 ns/day 0.048 hours/ns 28.942 steps/s 2023-02-20 03:01:49,106 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 59.54 -33589 6525.6 -40114 -40114 4.3257 3.8092 -0.233 2.8164e+05 2023-02-20 03:01:50,951 INFO [main.py:643]
{rank 0/100} MD step = 164500 step time: 00:00:00.018030 Performance: 500.144 ns/day 0.048 hours/ns 28.944 steps/s 2023-02-20 03:01:52,297 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 60.054 -33496 6582 -40078 -40078 4.3286 3.8097 -0.23361 2.8183e+05 2023-02-20 03:01:54,127 INFO [main.py:643]
{rank 0/100} MD step = 164600 step time: 00:00:00.018167 Performance: 500.169 ns/day 0.048 hours/ns 28.945 steps/s 2023-02-20 03:01:55,346 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 164600 32920 60.729 -33411 6656 -40067 -40067 4.3332 3.8089 -0.23396 2.8198e+05 2023-02-20 03:01:57,174 INFO [main.py:643]
{rank 0/100} MD step = 164700 step time: 00:00:00.018054 Performance: 500.205 ns/day 0.048 hours/ns 28.947 steps/s 2023-02-20 03:01:58,486 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 60.174 -33403 6595.2 -39998 -39998 4.3375 3.8105 -0.23357 2.8217e+05 2023-02-20 03:02:00,330 INFO [main.py:643]
{rank 0/100} MD step = 164800 step time: 00:00:00.018218 Performance: 500.231 ns/day 0.048 hours/ns 28.949 steps/s 2023-02-20 03:02:01,702 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 59.679 -33613 6540.9 -40154 -40154 4.3425 3.8119 -0.23455 2.8229e+05 2023-02-20 03:02:03,600 INFO [main.py:643]
{rank 0/100} MD step = 164900 step time: 00:00:00.018389 Performance: 500.247 ns/day 0.048 hours/ns 28.949 steps/s 2023-02-20 03:02:04,939 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 164900 32980 60.516 -33402 6632.6 -40035 -40035 4.3476 3.8147 -0.23524 2.825e+05 2023-02-20 03:02:06,833 INFO [main.py:643]
{rank 0/100} MD step = 165000 step time: 00:00:00.018133 Performance: 500.267 ns/day 0.048 hours/ns 28.951 steps/s 2023-02-20 03:02:08,049 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 59.494 -33510 6520.7 -40031 -40031 4.3513 3.8172 -0.23656 2.8266e+05 2023-02-20 03:02:09,970 INFO [main.py:643]
{rank 0/100} MD step = 165100 step time: 00:00:00.018145 Performance: 500.295 ns/day 0.048 hours/ns 28.952 steps/s 2023-02-20 03:02:11,226 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 59.191 -33566 6487.4 -40054 -40054 4.3583 3.8185 -0.23478 2.828e+05 2023-02-20 03:02:13,121 INFO [main.py:643]
{rank 0/100} MD step = 165200 step time: 00:00:00.018065 Performance: 500.321 ns/day 0.048 hours/ns 28.954 steps/s 2023-02-20 03:02:14,418 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 59.443 -33645 6515 -40160 -40160 4.3638 3.8216 -0.23462 2.8296e+05 2023-02-20 03:02:16,305 INFO [main.py:643]
{rank 0/100} MD step = 165300 step time: 00:00:00.017924 Performance: 500.345 ns/day 0.048 hours/ns 28.955 steps/s 2023-02-20 03:02:17,527 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 60.283 -33472 6607.1 -40079 -40079 4.3669 3.822 -0.23447 2.8315e+05 2023-02-20 03:02:19,441 INFO [main.py:643]
{rank 0/100} MD step = 165400 step time: 00:00:00.018010 Performance: 500.373 ns/day 0.048 hours/ns 28.957 steps/s 2023-02-20 03:02:20,708 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 60.062 -33569 6582.9 -40152 -40152 4.3715 3.8244 -0.23578 2.8333e+05 2023-02-20 03:02:22,572 INFO [main.py:643]
{rank 0/100} MD step = 165500 step time: 00:00:00.018251 Performance: 500.401 ns/day 0.048 hours/ns 28.958 steps/s 2023-02-20 03:02:23,843 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 60.212 -33598 6599.3 -40198 -40198 4.3769 3.8263 -0.2345 2.8349e+05 2023-02-20 03:02:25,795 INFO [main.py:643]
{rank 0/100} MD step = 165600 step time: 00:00:00.018215 Performance: 500.421 ns/day 0.048 hours/ns 28.960 steps/s 2023-02-20 03:02:27,031 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 60.159 -33566 6593.6 -40160 -40160 4.3831 3.828 -0.23523 2.8365e+05 2023-02-20 03:02:29,008 INFO [main.py:643]
{rank 0/100} MD step = 165700 step time: 00:00:00.017908 Performance: 500.442 ns/day 0.048 hours/ns 28.961 steps/s 2023-02-20 03:02:30,260 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 59.565 -33633 6528.4 -40161 -40161 4.3874 3.8283 -0.2351 2.8382e+05 2023-02-20 03:02:32,178 INFO [main.py:643]
{rank 0/100} MD step = 165800 step time: 00:00:00.018145 Performance: 500.467 ns/day 0.048 hours/ns 28.962 steps/s 2023-02-20 03:02:33,001 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 165800 33160 59.962 -33503 6571.9 -40075 -40075 4.3917 3.8287 -0.23443 2.8401e+05 2023-02-20 03:02:35,319 INFO [main.py:643]
{rank 0/100} MD step = 165900 step time: 00:00:00.018214 Performance: 500.494 ns/day 0.048 hours/ns 28.964 steps/s 2023-02-20 03:02:36,477 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 165900 33180 59.377 -33652 6507.8 -40160 -40160 4.3972 3.8309 -0.23398 2.8415e+05 2023-02-20 03:02:38,477 INFO [main.py:643]
{rank 0/100} MD step = 166000 step time: 00:00:00.018137 Performance: 500.520 ns/day 0.048 hours/ns 28.965 steps/s 2023-02-20 03:02:39,795 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 166000 33200 59.553 -33502 6527.1 -40029 -40029 4.4014 3.8337 -0.23287 2.8435e+05 2023-02-20 03:02:41,658 INFO [main.py:643]
{rank 0/100} MD step = 166100 step time: 00:00:00.018187 Performance: 500.543 ns/day 0.048 hours/ns 28.967 steps/s 2023-02-20 03:02:42,914 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 59.585 -33444 6530.6 -39975 -39975 4.4051 3.8358 -0.23283 2.8451e+05 2023-02-20 03:02:44,839 INFO [main.py:643]
{rank 0/100} MD step = 166200 step time: 00:00:00.018098 Performance: 500.567 ns/day 0.048 hours/ns 28.968 steps/s 2023-02-20 03:02:46,299 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 61.255 -33386 6713.6 -40100 -40100 4.4082 3.836 -0.23385 2.8468e+05 2023-02-20 03:02:48,132 INFO [main.py:643]
{rank 0/100} MD step = 166300 step time: 00:00:00.018732 Performance: 500.581 ns/day 0.048 hours/ns 28.969 steps/s 2023-02-20 03:02:48,991 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 59.788 -33480 6552.9 -40033 -40033 4.4122 3.8386 -0.23348 2.8486e+05 2023-02-20 03:02:51,395 INFO [main.py:643]
{rank 0/100} MD step = 166400 step time: 00:00:00.017853 Performance: 500.597 ns/day 0.048 hours/ns 28.970 steps/s 2023-02-20 03:02:52,776 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 166400 33280 59.669 -33591 6539.8 -40131 -40131 4.4158 3.8408 -0.23323 2.8497e+05 2023-02-20 03:02:54,686 INFO [main.py:643]
{rank 0/100} MD step = 166500 step time: 00:00:00.017979 Performance: 500.611 ns/day 0.048 hours/ns 28.971 steps/s 2023-02-20 03:02:55,843 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 60.369 -33493 6616.6 -40109 -40109 4.419 3.8431 -0.23281 2.8518e+05 2023-02-20 03:02:57,807 INFO [main.py:643]
{rank 0/100} MD step = 166600 step time: 00:00:00.018081 Performance: 500.640 ns/day 0.048 hours/ns 28.972 steps/s 2023-02-20 03:02:58,953 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 59.519 -33626 6523.4 -40150 -40150 4.4226 3.8449 -0.23338 2.8535e+05 2023-02-20 03:03:00,858 INFO [main.py:643]
{rank 0/100} MD step = 166700 step time: 00:00:00.019419 Performance: 500.675 ns/day 0.048 hours/ns 28.974 steps/s 2023-02-20 03:03:02,207 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 59.844 -33636 6558.9 -40195 -40195 4.4282 3.8469 -0.23436 2.8551e+05 2023-02-20 03:03:04,032 INFO [main.py:643]
{rank 0/100} MD step = 166800 step time: 00:00:00.018330 Performance: 500.699 ns/day 0.048 hours/ns 28.976 steps/s 2023-02-20 03:03:05,312 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 166800 33360 59.194 -33497 6487.7 -39984 -39984 4.4326 3.8491 -0.23386 2.8568e+05 2023-02-20 03:03:07,268 INFO [main.py:643]
{rank 0/100} MD step = 166900 step time: 00:00:00.018031 Performance: 500.718 ns/day 0.048 hours/ns 28.977 steps/s 2023-02-20 03:03:09,059 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 166900 33380 60.338 -33698 6613.1 -40311 -40311 4.4357 3.8504 -0.23344 2.8584e+05 2023-02-20 03:03:11,057 INFO [main.py:643]
{rank 0/100} MD step = 167000 step time: 00:00:00.017891 Performance: 500.689 ns/day 0.048 hours/ns 28.975 steps/s 2023-02-20 03:03:12,199 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 60.789 -33470 6662.6 -40133 -40133 4.4391 3.8523 -0.23306 2.86e+05 2023-02-20 03:03:14,323 INFO [main.py:643]
{rank 0/100} MD step = 167100 step time: 00:00:00.018269 Performance: 500.705 ns/day 0.048 hours/ns 28.976 steps/s 2023-02-20 03:03:15,564 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 60.254 -33544 6603.9 -40148 -40148 4.4443 3.8546 -0.23302 2.8617e+05 2023-02-20 03:03:17,488 INFO [main.py:643]
{rank 0/100} MD step = 167200 step time: 00:00:00.018361 Performance: 500.729 ns/day 0.048 hours/ns 28.977 steps/s 2023-02-20 03:03:18,777 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 59.6 -33499 6532.3 -40031 -40031 4.4498 3.8558 -0.23338 2.8636e+05 2023-02-20 03:03:20,618 INFO [main.py:643]
{rank 0/100} MD step = 167300 step time: 00:00:00.018043 Performance: 500.757 ns/day 0.048 hours/ns 28.979 steps/s 2023-02-20 03:03:21,897 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 60.048 -33601 6581.4 -40182 -40182 4.4548 3.8579 -0.23293 2.8649e+05 2023-02-20 03:03:23,844 INFO [main.py:643]
{rank 0/100} MD step = 167400 step time: 00:00:00.018492 Performance: 500.777 ns/day 0.048 hours/ns 28.980 steps/s 2023-02-20 03:03:25,104 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 60.042 -33476 6580.7 -40056 -40056 4.4606 3.8601 -0.23176 2.8669e+05 2023-02-20 03:03:27,014 INFO [main.py:643]
{rank 0/100} MD step = 167500 step time: 00:00:00.018071 Performance: 500.801 ns/day 0.048 hours/ns 28.982 steps/s 2023-02-20 03:03:28,447 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 60.491 -33544 6629.8 -40174 -40174 4.4645 3.8623 -0.23298 2.8685e+05 2023-02-20 03:03:30,365 INFO [main.py:643]
{rank 0/100} MD step = 167600 step time: 00:00:00.017916 Performance: 500.810 ns/day 0.048 hours/ns 28.982 steps/s 2023-02-20 03:03:37,802 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 60.243 -33573 6602.8 -40175 -40175 4.4699 3.8639 -0.2334 2.8705e+05 2023-02-20 03:03:39,757 INFO [main.py:643]
{rank 0/100} MD step = 167700 step time: 00:00:00.017880 Performance: 500.296 ns/day 0.048 hours/ns 28.952 steps/s 2023-02-20 03:03:45,734 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 60.076 -33507 6584.4 -40092 -40092 4.4722 3.8647 -0.23178 2.8724e+05 2023-02-20 03:03:47,561 INFO [main.py:643]
{rank 0/100} MD step = 167800 step time: 00:00:00.018071 Performance: 499.921 ns/day 0.048 hours/ns 28.931 steps/s 2023-02-20 03:03:52,217 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 60.009 -33652 6577.1 -40229 -40229 4.4772 3.8669 -0.2328 2.8739e+05 2023-02-20 03:03:54,176 INFO [main.py:643]
{rank 0/100} MD step = 167900 step time: 00:00:00.017937 Performance: 499.649 ns/day 0.048 hours/ns 28.915 steps/s 2023-02-20 03:03:55,559 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 59.828 -33670 6557.2 -40227 -40227 4.4833 3.8706 -0.23384 2.8755e+05 2023-02-20 03:03:57,441 INFO [main.py:643]
{rank 0/100} MD step = 168000 step time: 00:00:00.017860 Performance: 499.665 ns/day 0.048 hours/ns 28.916 steps/s 2023-02-20 03:03:59,063 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 59.464 -33598 6517.3 -40116 -40116 4.4863 3.8728 -0.23257 2.8774e+05 2023-02-20 03:04:00,881 INFO [main.py:643]
{rank 0/100} MD step = 168100 step time: 00:00:00.018140 Performance: 499.667 ns/day 0.048 hours/ns 28.916 steps/s 2023-02-20 03:04:02,429 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 59.82 -33476 6556.3 -40033 -40033 4.4895 3.8752 -0.23188 2.879e+05 2023-02-20 03:04:04,291 INFO [main.py:643]
{rank 0/100} MD step = 168200 step time: 00:00:00.018184 Performance: 499.671 ns/day 0.048 hours/ns 28.916 steps/s 2023-02-20 03:04:05,712 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 60.325 -33370 6611.7 -39982 -39982 4.4951 3.877 -0.23114 2.8809e+05 2023-02-20 03:04:07,607 INFO [main.py:643]
{rank 0/100} MD step = 168300 step time: 00:00:00.018139 Performance: 499.683 ns/day 0.048 hours/ns 28.917 steps/s 2023-02-20 03:04:09,478 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 60.645 -33442 6646.8 -40089 -40089 4.5015 3.8788 -0.23201 2.8825e+05 2023-02-20 03:04:11,324 INFO [main.py:643]
{rank 0/100} MD step = 168400 step time: 00:00:00.018382 Performance: 499.661 ns/day 0.048 hours/ns 28.916 steps/s 2023-02-20 03:04:13,051 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 168400 33680 60.287 -33526 6607.6 -40134 -40134 4.5054 3.8796 -0.23186 2.8841e+05 2023-02-20 03:04:14,973 INFO [main.py:643]
{rank 0/100} MD step = 168500 step time: 00:00:00.018018 Performance: 499.645 ns/day 0.048 hours/ns 28.915 steps/s 2023-02-20 03:04:16,368 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 168500 33700 60.185 -33588 6596.4 -40185 -40185 4.5101 3.8827 -0.23258 2.8859e+05 2023-02-20 03:04:18,230 INFO [main.py:643]
{rank 0/100} MD step = 168600 step time: 00:00:00.017939 Performance: 499.662 ns/day 0.048 hours/ns 28.916 steps/s 2023-02-20 03:04:19,755 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 60.322 -33598 6611.4 -40209 -40209 4.5149 3.8843 -0.23237 2.8877e+05 2023-02-20 03:04:21,604 INFO [main.py:643]
{rank 0/100} MD step = 168700 step time: 00:00:00.018145 Performance: 499.669 ns/day 0.048 hours/ns 28.916 steps/s 2023-02-20 03:04:23,268 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 168700 33740 60.634 -33422 6645.6 -40067 -40067 4.5188 3.8864 -0.23222 2.8894e+05 2023-02-20 03:04:25,269 INFO [main.py:643]
{rank 0/100} MD step = 168800 step time: 00:00:00.017972 Performance: 499.652 ns/day 0.048 hours/ns 28.915 steps/s 2023-02-20 03:04:26,419 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 59.458 -33655 6516.6 -40171 -40171 4.5222 3.8875 -0.23054 2.8913e+05 2023-02-20 03:04:28,450 INFO [main.py:643]
{rank 0/100} MD step = 168900 step time: 00:00:00.018154 Performance: 499.675 ns/day 0.048 hours/ns 28.916 steps/s 2023-02-20 03:04:29,777 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 60.456 -33493 6626.1 -40119 -40119 4.5265 3.8899 -0.23187 2.893e+05 2023-02-20 03:04:31,719 INFO [main.py:643]
{rank 0/100} MD step = 169000 step time: 00:00:00.018557 Performance: 499.692 ns/day 0.048 hours/ns 28.917 steps/s 2023-02-20 03:04:33,622 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 60.202 -33523 6598.2 -40121 -40121 4.532 3.8915 -0.23207 2.8948e+05 2023-02-20 03:04:35,496 INFO [main.py:643]
{rank 0/100} MD step = 169100 step time: 00:00:00.018416 Performance: 499.664 ns/day 0.048 hours/ns 28.916 steps/s 2023-02-20 03:04:37,149 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 59.881 -33564 6563.1 -40127 -40127 4.5366 3.8925 -0.23255 2.8963e+05 2023-02-20 03:04:39,103 INFO [main.py:643]
{rank 0/100} MD step = 169200 step time: 00:00:00.017923 Performance: 499.652 ns/day 0.048 hours/ns 28.915 steps/s 2023-02-20 03:04:40,903 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 59.325 -33666 6502.1 -40168 -40168 4.5423 3.8949 -0.2335 2.8979e+05 2023-02-20 03:04:42,777 INFO [main.py:643]
{rank 0/100} MD step = 169300 step time: 00:00:00.018325 Performance: 499.633 ns/day 0.048 hours/ns 28.914 steps/s 2023-02-20 03:04:44,323 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 59.782 -33634 6552.1 -40186 -40186 4.5459 3.894 -0.23452 2.8997e+05 2023-02-20 03:04:46,686 INFO [main.py:643]
{rank 0/100} MD step = 169400 step time: 00:00:00.018165 Performance: 499.595 ns/day 0.048 hours/ns 28.912 steps/s 2023-02-20 03:04:48,461 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 59.871 -33623 6561.9 -40185 -40185 4.5488 3.8945 -0.23487 2.9014e+05 2023-02-20 03:04:50,382 INFO [main.py:643]
{rank 0/100} MD step = 169500 step time: 00:00:00.018024 Performance: 499.575 ns/day 0.048 hours/ns 28.911 steps/s 2023-02-20 03:04:52,110 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 60.23 -33497 6601.3 -40098 -40098 4.5518 3.8965 -0.23537 2.903e+05 2023-02-20 03:04:54,012 INFO [main.py:643]
{rank 0/100} MD step = 169600 step time: 00:00:00.017961 Performance: 499.560 ns/day 0.048 hours/ns 28.910 steps/s 2023-02-20 03:04:55,531 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 60.185 -33407 6596.3 -40003 -40003 4.5573 3.8999 -0.23479 2.905e+05 2023-02-20 03:04:57,422 INFO [main.py:643]
{rank 0/100} MD step = 169700 step time: 00:00:00.018077 Performance: 499.564 ns/day 0.048 hours/ns 28.910 steps/s 2023-02-20 03:04:58,802 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 59.395 -33578 6509.8 -40088 -40088 4.5612 3.8995 -0.23426 2.9067e+05 2023-02-20 03:05:00,687 INFO [main.py:643]
{rank 0/100} MD step = 169800 step time: 00:00:00.018145 Performance: 499.581 ns/day 0.048 hours/ns 28.911 steps/s 2023-02-20 03:05:02,099 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 59.524 -33563 6523.9 -40087 -40087 4.5655 3.9 -0.23315 2.9086e+05 2023-02-20 03:05:03,952 INFO [main.py:643]
{rank 0/100} MD step = 169900 step time: 00:00:00.017911 Performance: 499.597 ns/day 0.048 hours/ns 28.912 steps/s 2023-02-20 03:05:05,214 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 60.18 -33624 6595.8 -40220 -40220 4.5714 3.9017 -0.23445 2.9097e+05 2023-02-20 03:05:07,151 INFO [main.py:643]
{rank 0/100} MD step = 170000 step time: 00:00:00.018038 Performance: 499.619 ns/day 0.048 hours/ns 28.913 steps/s 2023-02-20 03:05:09,568 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 170000 34000 60.872 -33459 6671.7 -40130 -40130 4.576 3.9023 -0.23354 2.9114e+05 2023-02-20 03:05:11,385 INFO [main.py:643]
{rank 0/100} MD step = 170100 step time: 00:00:00.018116 Performance: 499.553 ns/day 0.048 hours/ns 28.909 steps/s 2023-02-20 03:05:12,850 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 60.901 -33492 6674.8 -40167 -40167 4.5796 3.904 -0.23337 2.9128e+05 2023-02-20 03:05:14,701 INFO [main.py:643]
{rank 0/100} MD step = 170200 step time: 00:00:00.018055 Performance: 499.566 ns/day 0.048 hours/ns 28.910 steps/s 2023-02-20 03:05:15,687 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 60.13 -33573 6590.3 -40163 -40163 4.5849 3.906 -0.23482 2.9149e+05 2023-02-20 03:05:17,983 INFO [main.py:643]
{rank 0/100} MD step = 170300 step time: 00:00:00.019234 Performance: 499.581 ns/day 0.048 hours/ns 28.911 steps/s 2023-02-20 03:05:19,379 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 59.673 -33554 6540.2 -40095 -40095 4.5898 3.9086 -0.23378 2.9167e+05 2023-02-20 03:05:21,258 INFO [main.py:643]
{rank 0/100} MD step = 170400 step time: 00:00:00.017983 Performance: 499.596 ns/day 0.048 hours/ns 28.912 steps/s 2023-02-20 03:05:22,668 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 60.344 -33589 6613.8 -40203 -40203 4.5936 3.909 -0.23439 2.9184e+05 2023-02-20 03:05:24,594 INFO [main.py:643]
{rank 0/100} MD step = 170500 step time: 00:00:00.017969 Performance: 499.607 ns/day 0.048 hours/ns 28.912 steps/s 2023-02-20 03:05:26,585 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 170500 34100 60.275 -33613 6606.2 -40219 -40219 4.5975 3.9112 -0.23415 2.92e+05 2023-02-20 03:05:28,426 INFO [main.py:643]
{rank 0/100} MD step = 170600 step time: 00:00:00.018210 Performance: 499.575 ns/day 0.048 hours/ns 28.911 steps/s 2023-02-20 03:05:30,028 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 59.646 -33503 6537.2 -40040 -40040 4.6008 3.9127 -0.23407 2.9218e+05 2023-02-20 03:05:31,862 INFO [main.py:643]
{rank 0/100} MD step = 170700 step time: 00:00:00.018203 Performance: 499.577 ns/day 0.048 hours/ns 28.911 steps/s 2023-02-20 03:05:33,180 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 59.533 -33485 6524.9 -40010 -40010 4.6058 3.9142 -0.23438 2.9235e+05 2023-02-20 03:05:35,105 INFO [main.py:643]
{rank 0/100} MD step = 170800 step time: 00:00:00.018031 Performance: 499.595 ns/day 0.048 hours/ns 28.912 steps/s 2023-02-20 03:05:36,390 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 170800 34160 60.002 -33514 6576.2 -40090 -40090 4.6112 3.9154 -0.23436 2.925e+05 2023-02-20 03:05:38,346 INFO [main.py:643]
{rank 0/100} MD step = 170900 step time: 00:00:00.018102 Performance: 499.614 ns/day 0.048 hours/ns 28.913 steps/s 2023-02-20 03:05:39,532 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 61.044 -33457 6690.5 -40147 -40147 4.6158 3.9171 -0.23458 2.9268e+05 2023-02-20 03:05:41,450 INFO [main.py:643]
{rank 0/100} MD step = 171000 step time: 00:00:00.018560 Performance: 499.644 ns/day 0.048 hours/ns 28.915 steps/s 2023-02-20 03:05:43,174 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 60.263 -33585 6604.9 -40190 -40190 4.6202 3.9192 -0.23522 2.9287e+05 2023-02-20 03:05:45,194 INFO [main.py:643]
{rank 0/100} MD step = 171100 step time: 00:00:00.018189 Performance: 499.619 ns/day 0.048 hours/ns 28.913 steps/s 2023-02-20 03:05:46,656 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 60.507 -33454 6631.7 -40085 -40085 4.6246 3.9223 -0.23638 2.9305e+05 2023-02-20 03:05:48,510 INFO [main.py:643]
{rank 0/100} MD step = 171200 step time: 00:00:00.018109 Performance: 499.631 ns/day 0.048 hours/ns 28.914 steps/s 2023-02-20 03:05:49,830 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 60.368 -33451 6616.4 -40067 -40067 4.628 3.9242 -0.23712 2.9322e+05 2023-02-20 03:05:51,709 INFO [main.py:643]
{rank 0/100} MD step = 171300 step time: 00:00:00.018116 Performance: 499.653 ns/day 0.048 hours/ns 28.915 steps/s 2023-02-20 03:05:54,071 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 60.663 -33489 6648.8 -40138 -40138 4.6331 3.9236 -0.23727 2.9335e+05 2023-02-20 03:05:55,944 INFO [main.py:643]
{rank 0/100} MD step = 171400 step time: 00:00:00.018030 Performance: 499.588 ns/day 0.048 hours/ns 28.911 steps/s 2023-02-20 03:05:56,889 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 60.755 -33428 6658.8 -40087 -40087 4.6349 3.9256 -0.23797 2.935e+05 2023-02-20 03:05:59,227 INFO [main.py:643]
{rank 0/100} MD step = 171500 step time: 00:00:00.018233 Performance: 499.603 ns/day 0.048 hours/ns 28.912 steps/s 2023-02-20 03:06:00,503 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 60.5 -33450 6630.9 -40081 -40081 4.6407 3.9263 -0.23927 2.9367e+05 2023-02-20 03:06:02,390 INFO [main.py:643]
{rank 0/100} MD step = 171600 step time: 00:00:00.017975 Performance: 499.628 ns/day 0.048 hours/ns 28.914 steps/s 2023-02-20 03:06:03,696 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 59.001 -33648 6466.6 -40115 -40115 4.6475 3.9278 -0.23828 2.9384e+05 2023-02-20 03:06:05,616 INFO [main.py:643]
{rank 0/100} MD step = 171700 step time: 00:00:00.018891 Performance: 499.647 ns/day 0.048 hours/ns 28.915 steps/s 2023-02-20 03:06:07,069 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 59.281 -33515 6497.2 -40012 -40012 4.6505 3.9295 -0.23937 2.9404e+05 2023-02-20 03:06:08,956 INFO [main.py:643]
{rank 0/100} MD step = 171800 step time: 00:00:00.018196 Performance: 499.657 ns/day 0.048 hours/ns 28.915 steps/s 2023-02-20 03:06:10,296 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 59.88 -33572 6562.9 -40135 -40135 4.6543 3.9302 -0.24085 2.942e+05 2023-02-20 03:06:12,216 INFO [main.py:643]
{rank 0/100} MD step = 171900 step time: 00:00:00.018154 Performance: 499.674 ns/day 0.048 hours/ns 28.916 steps/s 2023-02-20 03:06:13,550 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 60.063 -33554 6583 -40137 -40137 4.6573 3.9314 -0.24089 2.9435e+05 2023-02-20 03:06:16,069 INFO [main.py:643]
{rank 0/100} MD step = 172000 step time: 00:00:00.018226 Performance: 499.641 ns/day 0.048 hours/ns 28.914 steps/s 2023-02-20 03:06:17,736 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 59.645 -33549 6537.2 -40086 -40086 4.6623 3.9323 -0.24159 2.9457e+05 2023-02-20 03:06:19,593 INFO [main.py:643]
{rank 0/100} MD step = 172100 step time: 00:00:00.017968 Performance: 499.635 ns/day 0.048 hours/ns 28.914 steps/s 2023-02-20 03:06:20,898 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 60.208 -33484 6598.8 -40083 -40083 4.6674 3.9317 -0.24314 2.9473e+05 2023-02-20 03:06:22,787 INFO [main.py:643]
{rank 0/100} MD step = 172200 step time: 00:00:00.017968 Performance: 499.657 ns/day 0.048 hours/ns 28.915 steps/s 2023-02-20 03:06:24,135 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 59.842 -33575 6558.7 -40134 -40134 4.672 3.9336 -0.24323 2.949e+05 2023-02-20 03:06:25,998 INFO [main.py:643]
{rank 0/100} MD step = 172300 step time: 00:00:00.018188 Performance: 499.678 ns/day 0.048 hours/ns 28.917 steps/s 2023-02-20 03:06:27,327 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 59.682 -33487 6541.3 -40029 -40029 4.6744 3.9353 -0.24369 2.951e+05 2023-02-20 03:06:29,197 INFO [main.py:643]
{rank 0/100} MD step = 172400 step time: 00:00:00.018534 Performance: 499.700 ns/day 0.048 hours/ns 28.918 steps/s 2023-02-20 03:06:30,586 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 60.849 -33439 6669.2 -40108 -40108 4.679 3.9368 -0.24491 2.9525e+05 2023-02-20 03:06:32,463 INFO [main.py:643]
{rank 0/100} MD step = 172500 step time: 00:00:00.018031 Performance: 499.716 ns/day 0.048 hours/ns 28.919 steps/s 2023-02-20 03:06:34,370 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 59.744 -33446 6548 -39994 -39994 4.6825 3.9384 -0.24611 2.9546e+05 2023-02-20 03:06:36,279 INFO [main.py:643]
{rank 0/100} MD step = 172600 step time: 00:00:00.018377 Performance: 499.686 ns/day 0.048 hours/ns 28.917 steps/s 2023-02-20 03:06:37,554 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 60.988 -33411 6684.4 -40095 -40095 4.6886 3.9388 -0.2439 2.9561e+05 2023-02-20 03:06:39,391 INFO [main.py:643]
{rank 0/100} MD step = 172700 step time: 00:00:00.018065 Performance: 499.715 ns/day 0.048 hours/ns 28.919 steps/s 2023-02-20 03:06:40,735 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 59.514 -33584 6522.8 -40107 -40107 4.6935 3.9408 -0.24388 2.9579e+05 2023-02-20 03:06:42,729 INFO [main.py:643]
{rank 0/100} MD step = 172800 step time: 00:00:00.018231 Performance: 499.725 ns/day 0.048 hours/ns 28.919 steps/s 2023-02-20 03:06:45,265 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 59.516 -33560 6523.1 -40083 -40083 4.6991 3.9438 -0.24423 2.9597e+05 2023-02-20 03:06:47,201 INFO [main.py:643]
{rank 0/100} MD step = 172900 step time: 00:00:00.018232 Performance: 499.640 ns/day 0.048 hours/ns 28.914 steps/s 2023-02-20 03:06:48,027 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 58.927 -33700 6458.5 -40159 -40159 4.7041 3.945 -0.24366 2.9614e+05 2023-02-20 03:06:50,356 INFO [main.py:643]
{rank 0/100} MD step = 173000 step time: 00:00:00.018311 Performance: 499.666 ns/day 0.048 hours/ns 28.916 steps/s 2023-02-20 03:06:51,701 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 60.362 -33368 6615.8 -39984 -39984 4.7111 3.9449 -0.24465 2.9634e+05 2023-02-20 03:06:53,782 INFO [main.py:643]
{rank 0/100} MD step = 173100 step time: 00:00:00.018090 Performance: 499.668 ns/day 0.048 hours/ns 28.916 steps/s 2023-02-20 03:06:55,598 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 60.475 -33404 6628.2 -40032 -40032 4.7157 3.9467 -0.24521 2.9654e+05 2023-02-20 03:06:57,919 INFO [main.py:643]
{rank 0/100} MD step = 173200 step time: 00:00:00.020772 Performance: 499.612 ns/day 0.048 hours/ns 28.913 steps/s 2023-02-20 03:07:08,969 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 173200 34640 59.723 -33588 6545.7 -40134 -40134 4.7178 3.9472 -0.24498 2.9669e+05 2023-02-20 03:07:10,787 INFO [main.py:643]
{rank 0/100} MD step = 173300 step time: 00:00:00.018287 Performance: 498.829 ns/day 0.048 hours/ns 28.867 steps/s 2023-02-20 03:07:12,191 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 59.335 -33675 6503.2 -40179 -40179 4.721 3.9476 -0.24442 2.9684e+05 2023-02-20 03:07:14,119 INFO [main.py:643]
{rank 0/100} MD step = 173400 step time: 00:00:00.018071 Performance: 498.840 ns/day 0.048 hours/ns 28.868 steps/s 2023-02-20 03:07:15,373 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 60.723 -33414 6655.4 -40069 -40069 4.725 3.9494 -0.24413 2.9703e+05 2023-02-20 03:07:17,310 INFO [main.py:643]
{rank 0/100} MD step = 173500 step time: 00:00:00.018267 Performance: 498.862 ns/day 0.048 hours/ns 28.869 steps/s 2023-02-20 03:07:18,633 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 60.919 -33347 6676.8 -40024 -40024 4.7298 3.95 -0.24247 2.9717e+05 2023-02-20 03:07:20,478 INFO [main.py:643]
{rank 0/100} MD step = 173600 step time: 00:00:00.018991 Performance: 498.887 ns/day 0.048 hours/ns 28.871 steps/s 2023-02-20 03:07:21,799 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 59.581 -33653 6530.1 -40183 -40183 4.7356 3.9536 -0.24065 2.9733e+05 2023-02-20 03:07:23,626 INFO [main.py:643]
{rank 0/100} MD step = 173700 step time: 00:00:00.018234 Performance: 498.913 ns/day 0.048 hours/ns 28.872 steps/s 2023-02-20 03:07:24,831 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 59.262 -33642 6495.2 -40137 -40137 4.7398 3.9534 -0.24179 2.9751e+05 2023-02-20 03:07:26,749 INFO [main.py:643]
{rank 0/100} MD step = 173800 step time: 00:00:00.018009 Performance: 498.941 ns/day 0.048 hours/ns 28.874 steps/s 2023-02-20 03:07:27,960 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 60.207 -33493 6598.8 -40092 -40092 4.7451 3.955 -0.24207 2.9769e+05 2023-02-20 03:07:29,921 INFO [main.py:643]
{rank 0/100} MD step = 173900 step time: 00:00:00.018460 Performance: 498.965 ns/day 0.048 hours/ns 28.875 steps/s 2023-02-20 03:07:31,368 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 173900 34780 60.226 -33495 6600.8 -40096 -40096 4.7477 3.9577 -0.24336 2.9787e+05 2023-02-20 03:07:33,212 INFO [main.py:643]
{rank 0/100} MD step = 174000 step time: 00:00:00.018058 Performance: 498.980 ns/day 0.048 hours/ns 28.876 steps/s 2023-02-20 03:07:34,418 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 60.134 -33536 6590.7 -40127 -40127 4.7525 3.9606 -0.24424 2.9801e+05 2023-02-20 03:07:36,463 INFO [main.py:643]
{rank 0/100} MD step = 174100 step time: 00:00:00.018653 Performance: 498.997 ns/day 0.048 hours/ns 28.877 steps/s 2023-02-20 03:07:37,666 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 60.018 -33595 6578 -40173 -40173 4.756 3.9635 -0.24436 2.9818e+05 2023-02-20 03:07:39,645 INFO [main.py:643]
{rank 0/100} MD step = 174200 step time: 00:00:00.018154 Performance: 499.020 ns/day 0.048 hours/ns 28.878 steps/s 2023-02-20 03:07:40,857 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 60.419 -33467 6622 -40089 -40089 4.7607 3.9664 -0.24451 2.9838e+05 2023-02-20 03:07:43,259 INFO [main.py:643]
{rank 0/100} MD step = 174300 step time: 00:00:00.034192 Performance: 499.008 ns/day 0.048 hours/ns 28.878 steps/s 2023-02-20 03:07:44,620 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 59.581 -33567 6530.1 -40097 -40097 4.7649 3.9674 -0.24561 2.9856e+05 2023-02-20 03:07:46,448 INFO [main.py:643]
{rank 0/100} MD step = 174400 step time: 00:00:00.018106 Performance: 499.030 ns/day 0.048 hours/ns 28.879 steps/s 2023-02-20 03:07:47,696 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 59.229 -33556 6491.6 -40048 -40048 4.7708 3.9683 -0.24406 2.9874e+05 2023-02-20 03:07:49,698 INFO [main.py:643]
{rank 0/100} MD step = 174500 step time: 00:00:00.018043 Performance: 499.048 ns/day 0.048 hours/ns 28.880 steps/s 2023-02-20 03:07:50,758 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 60.994 -33385 6685 -40070 -40070 4.7727 3.9706 -0.24306 2.989e+05 2023-02-20 03:07:52,768 INFO [main.py:643]
{rank 0/100} MD step = 174600 step time: 00:00:00.018255 Performance: 499.080 ns/day 0.048 hours/ns 28.882 steps/s 2023-02-20 03:07:53,992 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 60.068 -33576 6583.6 -40160 -40160 4.7783 3.9726 -0.24394 2.9909e+05 2023-02-20 03:07:55,951 INFO [main.py:643]
{rank 0/100} MD step = 174700 step time: 00:00:00.018392 Performance: 499.103 ns/day 0.048 hours/ns 28.883 steps/s 2023-02-20 03:07:57,264 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 59.355 -33680 6505.3 -40186 -40186 4.7811 3.9742 -0.24563 2.9925e+05 2023-02-20 03:07:59,174 INFO [main.py:643]
{rank 0/100} MD step = 174800 step time: 00:00:00.018174 Performance: 499.123 ns/day 0.048 hours/ns 28.884 steps/s 2023-02-20 03:08:00,350 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 60.413 -33589 6621.3 -40210 -40210 4.7868 3.9753 -0.24592 2.9943e+05 2023-02-20 03:08:02,325 INFO [main.py:643]
{rank 0/100} MD step = 174900 step time: 00:00:00.037150 Performance: 499.149 ns/day 0.048 hours/ns 28.886 steps/s 2023-02-20 03:08:03,632 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 174900 34980 60.118 -33528 6589 -40117 -40117 4.7929 3.9767 -0.24676 2.9958e+05 2023-02-20 03:08:05,469 INFO [main.py:643]
{rank 0/100} MD step = 175000 step time: 00:00:00.018150 Performance: 499.175 ns/day 0.048 hours/ns 28.887 steps/s 2023-02-20 03:08:06,802 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 59.965 -33496 6572.2 -40069 -40069 4.7981 3.9784 -0.24696 2.9978e+05 2023-02-20 03:08:08,684 INFO [main.py:643]
{rank 0/100} MD step = 175100 step time: 00:00:00.018103 Performance: 499.195 ns/day 0.048 hours/ns 28.889 steps/s 2023-02-20 03:08:09,511 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 60.459 -33556 6626.4 -40182 -40182 4.8015 3.9812 -0.24747 2.9994e+05 2023-02-20 03:08:11,816 INFO [main.py:643]
{rank 0/100} MD step = 175200 step time: 00:00:00.018213 Performance: 499.222 ns/day 0.048 hours/ns 28.890 steps/s 2023-02-20 03:08:13,189 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 175200 35040 60.012 -33545 6577.3 -40122 -40122 4.8085 3.9843 -0.24886 3.0013e+05 2023-02-20 03:08:15,029 INFO [main.py:643]
{rank 0/100} MD step = 175300 step time: 00:00:00.017987 Performance: 499.243 ns/day 0.048 hours/ns 28.891 steps/s 2023-02-20 03:08:16,252 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 59.952 -33528 6570.8 -40099 -40099 4.8149 3.988 -0.25015 3.0029e+05 2023-02-20 03:08:18,206 INFO [main.py:643]
{rank 0/100} MD step = 175400 step time: 00:00:00.017842 Performance: 499.266 ns/day 0.048 hours/ns 28.893 steps/s 2023-02-20 03:08:19,481 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 59.579 -33426 6529.9 -39956 -39956 4.8207 3.9889 -0.25009 3.0049e+05 2023-02-20 03:08:21,404 INFO [main.py:643]
{rank 0/100} MD step = 175500 step time: 00:00:00.018001 Performance: 499.288 ns/day 0.048 hours/ns 28.894 steps/s 2023-02-20 03:08:22,561 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 175500 35100 59.643 -33659 6537 -40196 -40196 4.8233 3.9908 -0.2506 3.0064e+05 2023-02-20 03:08:24,575 INFO [main.py:643]
{rank 0/100} MD step = 175600 step time: 00:00:00.018152 Performance: 499.312 ns/day 0.048 hours/ns 28.895 steps/s 2023-02-20 03:08:25,862 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 60.04 -33565 6580.4 -40145 -40145 4.8282 3.9923 -0.2507 3.0083e+05 2023-02-20 03:08:27,777 INFO [main.py:643]
{rank 0/100} MD step = 175700 step time: 00:00:00.018146 Performance: 499.333 ns/day 0.048 hours/ns 28.897 steps/s 2023-02-20 03:08:29,073 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 60.611 -33529 6643.1 -40172 -40172 4.835 3.9934 -0.2506 3.0099e+05 2023-02-20 03:08:30,941 INFO [main.py:643]
{rank 0/100} MD step = 175800 step time: 00:00:00.018684 Performance: 499.357 ns/day 0.048 hours/ns 28.898 steps/s 2023-02-20 03:08:32,236 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 59.741 -33487 6547.7 -40035 -40035 4.8388 3.9932 -0.25095 3.0119e+05 2023-02-20 03:08:34,088 INFO [main.py:643]
{rank 0/100} MD step = 175900 step time: 00:00:00.018155 Performance: 499.383 ns/day 0.048 hours/ns 28.899 steps/s 2023-02-20 03:08:35,404 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 59.865 -33617 6561.3 -40178 -40178 4.8409 3.9954 -0.25177 3.0133e+05 2023-02-20 03:08:37,262 INFO [main.py:643]
{rank 0/100} MD step = 176000 step time: 00:00:00.018100 Performance: 499.407 ns/day 0.048 hours/ns 28.901 steps/s 2023-02-20 03:08:38,618 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 59.331 -33676 6502.8 -40178 -40178 4.845 3.9982 -0.253 3.0154e+05 2023-02-20 03:08:40,505 INFO [main.py:643]
{rank 0/100} MD step = 176100 step time: 00:00:00.018171 Performance: 499.424 ns/day 0.048 hours/ns 28.902 steps/s 2023-02-20 03:08:41,788 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 59.653 -33698 6538.1 -40236 -40236 4.8507 4.0007 -0.25213 3.0171e+05 2023-02-20 03:08:43,665 INFO [main.py:643]
{rank 0/100} MD step = 176200 step time: 00:00:00.018226 Performance: 499.449 ns/day 0.048 hours/ns 28.903 steps/s 2023-02-20 03:08:45,294 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 176200 35240 60.528 -33487 6634 -40121 -40121 4.8551 4.0015 -0.25259 3.0188e+05 2023-02-20 03:08:47,341 INFO [main.py:643]
{rank 0/100} MD step = 176300 step time: 00:00:00.018249 Performance: 499.431 ns/day 0.048 hours/ns 28.902 steps/s 2023-02-20 03:08:48,791 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 60.365 -33732 6616.1 -40348 -40348 4.8585 4.0036 -0.25188 3.0201e+05 2023-02-20 03:08:50,643 INFO [main.py:643]
{rank 0/100} MD step = 176400 step time: 00:00:00.018110 Performance: 499.444 ns/day 0.048 hours/ns 28.903 steps/s 2023-02-20 03:08:52,212 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 60.845 -33540 6668.7 -40209 -40209 4.8611 4.0063 -0.25232 3.022e+05 2023-02-20 03:08:54,046 INFO [main.py:643]
{rank 0/100} MD step = 176500 step time: 00:00:00.018282 Performance: 499.449 ns/day 0.048 hours/ns 28.903 steps/s 2023-02-20 03:08:59,848 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 176500 35300 59.231 -33564 6491.8 -40056 -40056 4.8656 4.0091 -0.25342 3.0238e+05 2023-02-20 03:09:01,889 INFO [main.py:643]
{rank 0/100} MD step = 176600 step time: 00:00:00.018224 Performance: 499.091 ns/day 0.048 hours/ns 28.883 steps/s 2023-02-20 03:09:06,545 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 60.641 -33611 6646.4 -40257 -40257 4.8709 4.012 -0.25379 3.0254e+05 2023-02-20 03:09:08,437 INFO [main.py:643]
{rank 0/100} MD step = 176700 step time: 00:00:00.017885 Performance: 498.839 ns/day 0.048 hours/ns 28.868 steps/s 2023-02-20 03:09:14,860 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 59.942 -33652 6569.7 -40222 -40222 4.8741 4.0123 -0.25499 3.027e+05 2023-02-20 03:09:16,701 INFO [main.py:643]
{rank 0/100} MD step = 176800 step time: 00:00:00.018474 Performance: 498.449 ns/day 0.048 hours/ns 28.845 steps/s 2023-02-20 03:09:18,097 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 59.827 -33629 6557.1 -40186 -40186 4.879 4.0128 -0.25494 3.0287e+05 2023-02-20 03:09:20,376 INFO [main.py:643]
{rank 0/100} MD step = 176900 step time: 00:00:00.017965 Performance: 498.432 ns/day 0.048 hours/ns 28.844 steps/s 2023-02-20 03:09:22,134 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 59.687 -33634 6541.8 -40176 -40176 4.8828 4.0157 -0.2538 3.0306e+05 2023-02-20 03:09:24,099 INFO [main.py:643]
{rank 0/100} MD step = 177000 step time: 00:00:00.018547 Performance: 498.411 ns/day 0.048 hours/ns 28.843 steps/s 2023-02-20 03:09:28,228 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 60.98 -33383 6683.5 -40066 -40066 4.8864 4.0175 -0.25573 3.0325e+05 2023-02-20 03:09:30,142 INFO [main.py:643]
{rank 0/100} MD step = 177100 step time: 00:00:00.018054 Performance: 498.202 ns/day 0.048 hours/ns 28.831 steps/s 2023-02-20 03:09:31,617 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 60.024 -33489 6578.7 -40068 -40068 4.8926 4.018 -0.25702 3.0341e+05 2023-02-20 03:09:33,455 INFO [main.py:643]
{rank 0/100} MD step = 177200 step time: 00:00:00.018019 Performance: 498.214 ns/day 0.048 hours/ns 28.832 steps/s 2023-02-20 03:09:34,813 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 60.748 -33502 6658 -40160 -40160 4.8953 4.0177 -0.25752 3.0355e+05 2023-02-20 03:09:36,687 INFO [main.py:643]
{rank 0/100} MD step = 177300 step time: 00:00:00.018012 Performance: 498.233 ns/day 0.048 hours/ns 28.833 steps/s 2023-02-20 03:09:37,949 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 59.579 -33567 6529.9 -40097 -40097 4.9009 4.019 -0.2583 3.0371e+05 2023-02-20 03:09:39,850 INFO [main.py:643]
{rank 0/100} MD step = 177400 step time: 00:00:00.018104 Performance: 498.258 ns/day 0.048 hours/ns 28.834 steps/s 2023-02-20 03:09:41,262 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 177400 35480 59.538 -33602 6525.4 -40128 -40128 4.9045 4.0209 -0.25985 3.0387e+05 2023-02-20 03:09:43,230 INFO [main.py:643]
{rank 0/100} MD step = 177500 step time: 00:00:00.018641 Performance: 498.265 ns/day 0.048 hours/ns 28.835 steps/s 2023-02-20 03:09:44,583 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 59.62 -33625 6534.4 -40160 -40160 4.9084 4.0235 -0.25982 3.0405e+05 2023-02-20 03:09:46,479 INFO [main.py:643]
{rank 0/100} MD step = 177600 step time: 00:00:00.018057 Performance: 498.283 ns/day 0.048 hours/ns 28.836 steps/s 2023-02-20 03:09:47,948 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 59.988 -33626 6574.7 -40201 -40201 4.9131 4.0265 -0.25805 3.0422e+05 2023-02-20 03:09:49,828 INFO [main.py:643]
{rank 0/100} MD step = 177700 step time: 00:00:00.018033 Performance: 498.293 ns/day 0.048 hours/ns 28.836 steps/s 2023-02-20 03:09:51,053 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 60.09 -33530 6585.9 -40116 -40116 4.9195 4.029 -0.2572 3.0438e+05 2023-02-20 03:09:52,976 INFO [main.py:643]
{rank 0/100} MD step = 177800 step time: 00:00:00.017988 Performance: 498.318 ns/day 0.048 hours/ns 28.838 steps/s 2023-02-20 03:09:56,921 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 60.556 -33517 6637 -40154 -40154 4.9245 4.0314 -0.25681 3.0459e+05 2023-02-20 03:09:58,860 INFO [main.py:643]
{rank 0/100} MD step = 177900 step time: 00:00:00.017992 Performance: 498.123 ns/day 0.048 hours/ns 28.827 steps/s 2023-02-20 03:10:01,545 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 60.171 -33472 6594.8 -40066 -40066 4.9308 4.0334 -0.25779 3.0482e+05 2023-02-20 03:10:03,404 INFO [main.py:643]
{rank 0/100} MD step = 178000 step time: 00:00:00.018094 Performance: 498.037 ns/day 0.048 hours/ns 28.822 steps/s 2023-02-20 03:10:04,795 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 61.005 -33455 6686.3 -40141 -40141 4.9364 4.0357 -0.25953 3.0499e+05 2023-02-20 03:10:06,696 INFO [main.py:643]
{rank 0/100} MD step = 178100 step time: 00:00:00.018071 Performance: 498.051 ns/day 0.048 hours/ns 28.822 steps/s 2023-02-20 03:10:08,039 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 178100 35620 58.799 -33637 6444.4 -40081 -40081 4.9431 4.036 -0.2587 3.0518e+05 2023-02-20 03:10:09,962 INFO [main.py:643]
{rank 0/100} MD step = 178200 step time: 00:00:00.018060 Performance: 498.067 ns/day 0.048 hours/ns 28.823 steps/s 2023-02-20 03:10:11,363 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 60.541 -33542 6635.4 -40177 -40177 4.947 4.0388 -0.25926 3.0533e+05 2023-02-20 03:10:13,270 INFO [main.py:643]
{rank 0/100} MD step = 178300 step time: 00:00:00.018038 Performance: 498.080 ns/day 0.048 hours/ns 28.824 steps/s 2023-02-20 03:10:14,758 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 60.301 -33444 6609.1 -40053 -40053 4.952 4.0402 -0.26106 3.0554e+05 2023-02-20 03:10:16,721 INFO [main.py:643]
{rank 0/100} MD step = 178400 step time: 00:00:00.019845 Performance: 498.082 ns/day 0.048 hours/ns 28.824 steps/s 2023-02-20 03:10:18,123 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 60.575 -33518 6639.1 -40158 -40158 4.9562 4.0431 -0.26059 3.0571e+05 2023-02-20 03:10:20,038 INFO [main.py:643]
{rank 0/100} MD step = 178500 step time: 00:00:00.018007 Performance: 498.094 ns/day 0.048 hours/ns 28.825 steps/s 2023-02-20 03:10:21,341 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 60.069 -33627 6583.6 -40211 -40211 4.9618 4.0444 -0.26206 3.0585e+05 2023-02-20 03:10:23,236 INFO [main.py:643]
{rank 0/100} MD step = 178600 step time: 00:00:00.018102 Performance: 498.116 ns/day 0.048 hours/ns 28.826 steps/s 2023-02-20 03:10:24,689 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 178600 35720 60.667 -33486 6649.2 -40135 -40135 4.9653 4.0462 -0.25956 3.0604e+05 2023-02-20 03:10:26,544 INFO [main.py:643]
{rank 0/100} MD step = 178700 step time: 00:00:00.017900 Performance: 498.129 ns/day 0.048 hours/ns 28.827 steps/s 2023-02-20 03:10:27,791 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 59.681 -33589 6541.1 -40130 -40130 4.9668 4.0462 -0.25676 3.0623e+05 2023-02-20 03:10:29,742 INFO [main.py:643]
{rank 0/100} MD step = 178800 step time: 00:00:00.018165 Performance: 498.151 ns/day 0.048 hours/ns 28.828 steps/s 2023-02-20 03:10:31,546 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 59.022 -33473 6468.9 -39942 -39942 4.9724 4.0476 -0.25815 3.0642e+05 2023-02-20 03:10:33,442 INFO [main.py:643]
{rank 0/100} MD step = 178900 step time: 00:00:00.018993 Performance: 498.132 ns/day 0.048 hours/ns 28.827 steps/s 2023-02-20 03:10:34,841 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 60.736 -33424 6656.7 -40080 -40080 4.9774 4.0487 -0.2588 3.0655e+05 2023-02-20 03:10:36,784 INFO [main.py:643]
{rank 0/100} MD step = 179000 step time: 00:00:00.017907 Performance: 498.142 ns/day 0.048 hours/ns 28.828 steps/s 2023-02-20 03:10:38,186 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 179000 35800 59.029 -33783 6469.6 -40253 -40253 4.9839 4.0506 -0.2574 3.067e+05 2023-02-20 03:10:40,105 INFO [main.py:643]
{rank 0/100} MD step = 179100 step time: 00:00:00.018181 Performance: 498.154 ns/day 0.048 hours/ns 28.828 steps/s 2023-02-20 03:10:41,620 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 59.192 -33520 6487.5 -40007 -40007 4.9884 4.0519 -0.25941 3.069e+05 2023-02-20 03:10:43,576 INFO [main.py:643]
{rank 0/100} MD step = 179200 step time: 00:00:00.018057 Performance: 498.154 ns/day 0.048 hours/ns 28.828 steps/s 2023-02-20 03:10:44,969 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 60.022 -33594 6578.4 -40172 -40172 4.9926 4.0534 -0.2596 3.0705e+05 2023-02-20 03:10:46,774 INFO [main.py:643]
{rank 0/100} MD step = 179300 step time: 00:00:00.018104 Performance: 498.176 ns/day 0.048 hours/ns 28.830 steps/s 2023-02-20 03:10:48,119 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 60.169 -33582 6594.6 -40177 -40177 4.9958 4.0556 -0.25895 3.072e+05 2023-02-20 03:10:50,023 INFO [main.py:643]
{rank 0/100} MD step = 179400 step time: 00:00:00.018259 Performance: 498.193 ns/day 0.048 hours/ns 28.831 steps/s 2023-02-20 03:10:51,490 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 59.22 -33736 6490.6 -40227 -40227 5.0005 4.0576 -0.25893 3.0736e+05 2023-02-20 03:10:53,298 INFO [main.py:643]
{rank 0/100} MD step = 179500 step time: 00:00:00.018248 Performance: 498.209 ns/day 0.048 hours/ns 28.832 steps/s 2023-02-20 03:10:54,558 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 60.116 -33524 6588.8 -40113 -40113 5.0043 4.059 -0.25977 3.0754e+05 2023-02-20 03:10:56,406 INFO [main.py:643]
{rank 0/100} MD step = 179600 step time: 00:00:00.017865 Performance: 498.238 ns/day 0.048 hours/ns 28.833 steps/s 2023-02-20 03:10:58,282 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 179600 35920 59.988 -33576 6574.7 -40151 -40151 5.0107 4.0611 -0.26076 3.0772e+05 2023-02-20 03:11:00,183 INFO [main.py:643]
{rank 0/100} MD step = 179700 step time: 00:00:00.018028 Performance: 498.213 ns/day 0.048 hours/ns 28.832 steps/s 2023-02-20 03:11:01,232 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 59.357 -33672 6505.6 -40177 -40177 5.0149 4.0614 -0.26141 3.0786e+05 2023-02-20 03:11:03,291 INFO [main.py:643]
{rank 0/100} MD step = 179800 step time: 00:00:00.018738 Performance: 498.242 ns/day 0.048 hours/ns 28.833 steps/s 2023-02-20 03:11:04,649 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 60.346 -33632 6614 -40246 -40246 5.0198 4.062 -0.26253 3.0804e+05 2023-02-20 03:11:06,988 INFO [main.py:643]
{rank 0/100} MD step = 179900 step time: 00:00:00.018107 Performance: 498.223 ns/day 0.048 hours/ns 28.832 steps/s 2023-02-20 03:11:08,251 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 59.909 -33527 6566.1 -40093 -40093 5.0229 4.0631 -0.26175 3.0821e+05 2023-02-20 03:11:10,193 INFO [main.py:643]
{rank 0/100} MD step = 180000 step time: 00:00:00.018071 Performance: 498.244 ns/day 0.048 hours/ns 28.834 steps/s 2023-02-20 03:11:11,506 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 180000 36000 59.343 -33658 6504 -40162 -40162 5.0296 4.0657 -0.26358 3.084e+05 2023-02-20 03:11:13,553 INFO [main.py:643]
{rank 0/100} MD step = 180100 step time: 00:00:00.018215 Performance: 498.253 ns/day 0.048 hours/ns 28.834 steps/s 2023-02-20 03:11:14,780 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 59.864 -33694 6561.2 -40255 -40255 5.0338 4.0658 -0.26424 3.0855e+05 2023-02-20 03:11:16,688 INFO [main.py:643]
{rank 0/100} MD step = 180200 step time: 00:00:00.018108 Performance: 498.280 ns/day 0.048 hours/ns 28.836 steps/s 2023-02-20 03:11:17,923 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 59.797 -33563 6553.8 -40117 -40117 5.04 4.0668 -0.26542 3.0873e+05 2023-02-20 03:11:19,851 INFO [main.py:643]
{rank 0/100} MD step = 180300 step time: 00:00:00.018021 Performance: 498.304 ns/day 0.048 hours/ns 28.837 steps/s 2023-02-20 03:11:21,121 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 180300 36060 59.385 -33604 6508.6 -40112 -40112 5.0436 4.0672 -0.26672 3.089e+05 2023-02-20 03:11:23,070 INFO [main.py:643]
{rank 0/100} MD step = 180400 step time: 00:00:00.017912 Performance: 498.324 ns/day 0.048 hours/ns 28.838 steps/s 2023-02-20 03:11:24,007 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 60.3 -33525 6609 -40134 -40134 5.0514 4.0686 -0.26609 3.0907e+05 2023-02-20 03:11:26,382 INFO [main.py:643]
{rank 0/100} MD step = 180500 step time: 00:00:00.018061 Performance: 498.336 ns/day 0.048 hours/ns 28.839 steps/s 2023-02-20 03:11:27,895 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 59.852 -33575 6559.8 -40134 -40134 5.0545 4.0708 -0.26788 3.0922e+05 2023-02-20 03:11:29,755 INFO [main.py:643]
{rank 0/100} MD step = 180600 step time: 00:00:00.018032 Performance: 498.344 ns/day 0.048 hours/ns 28.839 steps/s 2023-02-20 03:11:30,974 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 59.466 -33547 6517.6 -40064 -40064 5.0599 4.0737 -0.26723 3.0938e+05 2023-02-20 03:11:32,933 INFO [main.py:643]
{rank 0/100} MD step = 180700 step time: 00:00:00.018007 Performance: 498.367 ns/day 0.048 hours/ns 28.841 steps/s 2023-02-20 03:11:34,210 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 59.65 -33455 6537.8 -39993 -39993 5.0658 4.0772 -0.26781 3.0954e+05 2023-02-20 03:11:36,127 INFO [main.py:643]
{rank 0/100} MD step = 180800 step time: 00:00:00.018026 Performance: 498.388 ns/day 0.048 hours/ns 28.842 steps/s 2023-02-20 03:11:37,438 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 59.852 -33641 6559.8 -40201 -40201 5.0687 4.0774 -0.26716 3.0971e+05 2023-02-20 03:11:39,298 INFO [main.py:643]
{rank 0/100} MD step = 180900 step time: 00:00:00.018281 Performance: 498.412 ns/day 0.048 hours/ns 28.843 steps/s 2023-02-20 03:11:40,562 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 59.507 -33582 6522 -40104 -40104 5.0738 4.0793 -0.266 3.0986e+05 2023-02-20 03:11:42,450 INFO [main.py:643]
{rank 0/100} MD step = 181000 step time: 00:00:00.018032 Performance: 498.437 ns/day 0.048 hours/ns 28.845 steps/s 2023-02-20 03:11:43,837 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 60.038 -33597 6580.2 -40177 -40177 5.0778 4.0803 -0.26536 3.1001e+05 2023-02-20 03:11:45,737 INFO [main.py:643]
{rank 0/100} MD step = 181100 step time: 00:00:00.018268 Performance: 498.451 ns/day 0.048 hours/ns 28.846 steps/s 2023-02-20 03:11:47,120 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 60.094 -33479 6586.4 -40066 -40066 5.0847 4.0816 -0.26451 3.1021e+05 2023-02-20 03:11:48,968 INFO [main.py:643]
{rank 0/100} MD step = 181200 step time: 00:00:00.018065 Performance: 498.470 ns/day 0.048 hours/ns 28.847 steps/s 2023-02-20 03:11:50,198 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 59.913 -33600 6566.6 -40167 -40167 5.0911 4.0839 -0.26356 3.1039e+05 2023-02-20 03:11:52,233 INFO [main.py:643]
{rank 0/100} MD step = 181300 step time: 00:00:00.017994 Performance: 498.486 ns/day 0.048 hours/ns 28.848 steps/s 2023-02-20 03:11:53,589 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 181300 36260 60.122 -33492 6589.5 -40082 -40082 5.097 4.0857 -0.26221 3.1057e+05 2023-02-20 03:11:55,416 INFO [main.py:643]
{rank 0/100} MD step = 181400 step time: 00:00:00.018199 Performance: 498.508 ns/day 0.048 hours/ns 28.849 steps/s 2023-02-20 03:11:56,742 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 59.955 -33432 6571.2 -40003 -40003 5.102 4.0872 -0.26252 3.1078e+05 2023-02-20 03:11:58,650 INFO [main.py:643]
{rank 0/100} MD step = 181500 step time: 00:00:00.018185 Performance: 498.527 ns/day 0.048 hours/ns 28.850 steps/s 2023-02-20 03:11:59,929 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 181500 36300 60.039 -33560 6580.3 -40140 -40140 5.1057 4.0888 -0.26211 3.1092e+05 2023-02-20 03:12:01,767 INFO [main.py:643]
{rank 0/100} MD step = 181600 step time: 00:00:00.018061 Performance: 498.554 ns/day 0.048 hours/ns 28.852 steps/s 2023-02-20 03:12:03,117 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 59.604 -33617 6532.7 -40150 -40150 5.1115 4.09 -0.26367 3.111e+05 2023-02-20 03:12:04,985 INFO [main.py:643]
{rank 0/100} MD step = 181700 step time: 00:00:00.018174 Performance: 498.574 ns/day 0.048 hours/ns 28.853 steps/s 2023-02-20 03:12:06,165 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 60.316 -33585 6610.8 -40195 -40195 5.116 4.092 -0.26215 3.1127e+05 2023-02-20 03:12:08,113 INFO [main.py:643]
{rank 0/100} MD step = 181800 step time: 00:00:00.018048 Performance: 498.601 ns/day 0.048 hours/ns 28.854 steps/s 2023-02-20 03:12:09,396 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 59.784 -33494 6552.4 -40046 -40046 5.1195 4.0925 -0.26211 3.1147e+05 2023-02-20 03:12:11,211 INFO [main.py:643]
{rank 0/100} MD step = 181900 step time: 00:00:00.018540 Performance: 498.630 ns/day 0.048 hours/ns 28.856 steps/s 2023-02-20 03:12:12,397 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 59.905 -33473 6565.7 -40038 -40038 5.1217 4.0948 -0.26182 3.1165e+05 2023-02-20 03:12:14,346 INFO [main.py:643]
{rank 0/100} MD step = 182000 step time: 00:00:00.018568 Performance: 498.656 ns/day 0.048 hours/ns 28.857 steps/s 2023-02-20 03:12:15,826 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 59.523 -33623 6523.8 -40146 -40146 5.1261 4.097 -0.26191 3.1182e+05 2023-02-20 03:12:17,636 INFO [main.py:643]
{rank 0/100} MD step = 182100 step time: 00:00:00.018441 Performance: 498.670 ns/day 0.048 hours/ns 28.858 steps/s 2023-02-20 03:12:18,841 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 59.775 -33653 6551.4 -40205 -40205 5.1295 4.0996 -0.26057 3.1197e+05 2023-02-20 03:12:20,819 INFO [main.py:643]
{rank 0/100} MD step = 182200 step time: 00:00:00.017988 Performance: 498.692 ns/day 0.048 hours/ns 28.860 steps/s 2023-02-20 03:12:22,135 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 60.229 -33550 6601.2 -40151 -40151 5.1338 4.0996 -0.26019 3.1213e+05 2023-02-20 03:12:23,954 INFO [main.py:643]
{rank 0/100} MD step = 182300 step time: 00:00:00.018079 Performance: 498.718 ns/day 0.048 hours/ns 28.861 steps/s 2023-02-20 03:12:24,775 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 60.809 -33416 6664.8 -40081 -40081 5.1379 4.1004 -0.25829 3.1234e+05 2023-02-20 03:12:27,112 INFO [main.py:643]
{rank 0/100} MD step = 182400 step time: 00:00:00.018086 Performance: 498.742 ns/day 0.048 hours/ns 28.862 steps/s 2023-02-20 03:12:29,311 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 59.884 -33487 6563.4 -40050 -40050 5.1414 4.1005 -0.25883 3.1256e+05 2023-02-20 03:12:31,214 INFO [main.py:643]
{rank 0/100} MD step = 182500 step time: 00:00:00.018049 Performance: 498.692 ns/day 0.048 hours/ns 28.860 steps/s 2023-02-20 03:12:32,653 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 59.77 -33614 6550.9 -40164 -40164 5.1485 4.1017 -0.25895 3.1272e+05 2023-02-20 03:12:34,463 INFO [main.py:643]
{rank 0/100} MD step = 182600 step time: 00:00:00.018251 Performance: 498.709 ns/day 0.048 hours/ns 28.860 steps/s 2023-02-20 03:12:35,632 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 60.683 -33466 6651 -40117 -40117 5.1533 4.1037 -0.25916 3.1292e+05 2023-02-20 03:12:37,577 INFO [main.py:643]
{rank 0/100} MD step = 182700 step time: 00:00:00.018251 Performance: 498.737 ns/day 0.048 hours/ns 28.862 steps/s 2023-02-20 03:12:38,871 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 60.282 -33459 6607 -40066 -40066 5.1569 4.1041 -0.2588 3.1308e+05 2023-02-20 03:12:40,810 INFO [main.py:643]
{rank 0/100} MD step = 182800 step time: 00:00:00.018179 Performance: 498.755 ns/day 0.048 hours/ns 28.863 steps/s 2023-02-20 03:12:42,102 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 182800 36560 58.735 -33631 6437.4 -40068 -40068 5.1616 4.1056 -0.26137 3.1328e+05 2023-02-20 03:12:43,953 INFO [main.py:643]
{rank 0/100} MD step = 182900 step time: 00:00:00.017976 Performance: 498.780 ns/day 0.048 hours/ns 28.865 steps/s 2023-02-20 03:12:45,243 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 60.593 -33397 6641 -40038 -40038 5.168 4.1079 -0.25944 3.1345e+05 2023-02-20 03:12:47,093 INFO [main.py:643]
{rank 0/100} MD step = 183000 step time: 00:00:00.018101 Performance: 498.806 ns/day 0.048 hours/ns 28.866 steps/s 2023-02-20 03:12:48,198 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 183000 36600 60.82 -33469 6665.9 -40135 -40135 5.1728 4.1082 -0.25851 3.1358e+05 2023-02-20 03:12:50,210 INFO [main.py:643]
{rank 0/100} MD step = 183100 step time: 00:00:00.017891 Performance: 498.833 ns/day 0.048 hours/ns 28.868 steps/s 2023-02-20 03:12:51,419 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 60.589 -33455 6640.6 -40095 -40095 5.179 4.1108 -0.25721 3.1378e+05 2023-02-20 03:12:53,408 INFO [main.py:643]
{rank 0/100} MD step = 183200 step time: 00:00:00.018108 Performance: 498.854 ns/day 0.048 hours/ns 28.869 steps/s 2023-02-20 03:12:54,812 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 59.93 -33548 6568.4 -40117 -40117 5.1851 4.1122 -0.25628 3.1391e+05 2023-02-20 03:12:56,691 INFO [main.py:643]
{rank 0/100} MD step = 183300 step time: 00:00:00.018020 Performance: 498.868 ns/day 0.048 hours/ns 28.870 steps/s 2023-02-20 03:12:58,046 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 60.866 -33536 6671 -40207 -40207 5.189 4.1137 -0.25687 3.1409e+05 2023-02-20 03:12:59,900 INFO [main.py:643]
{rank 0/100} MD step = 183400 step time: 00:00:00.017875 Performance: 498.888 ns/day 0.048 hours/ns 28.871 steps/s 2023-02-20 03:13:01,170 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 60.462 -33472 6626.7 -40099 -40099 5.194 4.1162 -0.25824 3.1428e+05 2023-02-20 03:13:03,024 INFO [main.py:643]
{rank 0/100} MD step = 183500 step time: 00:00:00.018120 Performance: 498.915 ns/day 0.048 hours/ns 28.872 steps/s 2023-02-20 03:13:04,214 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 59.942 -33430 6569.7 -39999 -39999 5.1976 4.1177 -0.25938 3.1446e+05 2023-02-20 03:13:06,239 INFO [main.py:643]
{rank 0/100} MD step = 183600 step time: 00:00:00.017893 Performance: 498.935 ns/day 0.048 hours/ns 28.874 steps/s 2023-02-20 03:13:07,667 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 61.293 -33507 6717.7 -40224 -40224 5.2008 4.1185 -0.25952 3.1459e+05 2023-02-20 03:13:09,503 INFO [main.py:643]
{rank 0/100} MD step = 183700 step time: 00:00:00.018080 Performance: 498.950 ns/day 0.048 hours/ns 28.874 steps/s 2023-02-20 03:13:10,671 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 60.868 -33453 6671.2 -40124 -40124 5.2052 4.1199 -0.25906 3.148e+05 2023-02-20 03:13:12,626 INFO [main.py:643]
{rank 0/100} MD step = 183800 step time: 00:00:00.018394 Performance: 498.977 ns/day 0.048 hours/ns 28.876 steps/s 2023-02-20 03:13:13,965 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 59.794 -33535 6553.5 -40088 -40088 5.2105 4.1224 -0.25856 3.1497e+05 2023-02-20 03:13:15,882 INFO [main.py:643]
{rank 0/100} MD step = 183900 step time: 00:00:00.018129 Performance: 498.993 ns/day 0.048 hours/ns 28.877 steps/s 2023-02-20 03:13:17,178 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 59.917 -33521 6567 -40088 -40088 5.2147 4.1228 -0.25774 3.1514e+05 2023-02-20 03:13:19,108 INFO [main.py:643]
{rank 0/100} MD step = 184000 step time: 00:00:00.018063 Performance: 499.012 ns/day 0.048 hours/ns 28.878 steps/s 2023-02-20 03:13:20,401 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 60.148 -33587 6592.3 -40179 -40179 5.2192 4.1228 -0.25887 3.1531e+05 2023-02-20 03:13:22,311 INFO [main.py:643]
{rank 0/100} MD step = 184100 step time: 00:00:00.017966 Performance: 499.032 ns/day 0.048 hours/ns 28.879 steps/s 2023-02-20 03:13:23,695 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 58.705 -33603 6434.2 -40037 -40037 5.2244 4.1234 -0.26006 3.1551e+05 2023-02-20 03:13:25,567 INFO [main.py:643]
{rank 0/100} MD step = 184200 step time: 00:00:00.018163 Performance: 499.048 ns/day 0.048 hours/ns 28.880 steps/s 2023-02-20 03:13:26,852 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 60.49 -33415 6629.8 -40045 -40045 5.2293 4.1268 -0.26013 3.1567e+05 2023-02-20 03:13:28,671 INFO [main.py:643]
{rank 0/100} MD step = 184300 step time: 00:00:00.017933 Performance: 499.076 ns/day 0.048 hours/ns 28.882 steps/s 2023-02-20 03:13:29,880 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 59.815 -33516 6555.8 -40072 -40072 5.234 4.1296 -0.26165 3.1583e+05 2023-02-20 03:13:31,782 INFO [main.py:643]
{rank 0/100} MD step = 184400 step time: 00:00:00.018096 Performance: 499.104 ns/day 0.048 hours/ns 28.883 steps/s 2023-02-20 03:13:33,090 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 60.568 -33438 6638.3 -40077 -40077 5.2395 4.1311 -0.26112 3.1601e+05 2023-02-20 03:13:34,918 INFO [main.py:643]
{rank 0/100} MD step = 184500 step time: 00:00:00.017955 Performance: 499.129 ns/day 0.048 hours/ns 28.885 steps/s 2023-02-20 03:13:36,128 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 59.354 -33515 6505.3 -40020 -40020 5.2459 4.1331 -0.25954 3.1619e+05 2023-02-20 03:13:38,086 INFO [main.py:643]
{rank 0/100} MD step = 184600 step time: 00:00:00.018282 Performance: 499.152 ns/day 0.048 hours/ns 28.886 steps/s 2023-02-20 03:13:39,400 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 59.54 -33479 6525.6 -40005 -40005 5.2491 4.134 -0.2604 3.1636e+05 2023-02-20 03:13:41,402 INFO [main.py:643]
{rank 0/100} MD step = 184700 step time: 00:00:00.017936 Performance: 499.164 ns/day 0.048 hours/ns 28.887 steps/s 2023-02-20 03:13:43,966 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 184700 36940 60.292 -33620 6608.1 -40228 -40228 5.2533 4.1361 -0.26144 3.1651e+05 2023-02-20 03:13:45,971 INFO [main.py:643]
{rank 0/100} MD step = 184800 step time: 00:00:00.024767 Performance: 499.077 ns/day 0.048 hours/ns 28.882 steps/s 2023-02-20 03:13:47,195 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 59.364 -33648 6506.4 -40155 -40155 5.2577 4.1384 -0.26079 3.167e+05 2023-02-20 03:13:49,148 INFO [main.py:643]
{rank 0/100} MD step = 184900 step time: 00:00:00.018117 Performance: 499.099 ns/day 0.048 hours/ns 28.883 steps/s 2023-02-20 03:13:52,347 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 184900 36980 59.752 -33690 6548.9 -40239 -40239 5.2628 4.1394 -0.26075 3.1685e+05 2023-02-20 03:13:54,166 INFO [main.py:643]
{rank 0/100} MD step = 185000 step time: 00:00:00.018298 Performance: 498.978 ns/day 0.048 hours/ns 28.876 steps/s 2023-02-20 03:13:55,472 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 59.703 -33558 6543.5 -40101 -40101 5.2669 4.1405 -0.26081 3.1701e+05 2023-02-20 03:13:57,360 INFO [main.py:643]
{rank 0/100} MD step = 185100 step time: 00:00:00.017972 Performance: 498.999 ns/day 0.048 hours/ns 28.877 steps/s 2023-02-20 03:14:04,411 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 58.952 -33723 6461.2 -40185 -40185 5.2731 4.1403 -0.26028 3.1717e+05 2023-02-20 03:14:06,243 INFO [main.py:643]
{rank 0/100} MD step = 185200 step time: 00:00:00.018104 Performance: 498.578 ns/day 0.048 hours/ns 28.853 steps/s 2023-02-20 03:14:09,721 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 60.594 -33500 6641.2 -40141 -40141 5.2762 4.1416 -0.26043 3.1733e+05 2023-02-20 03:14:11,539 INFO [main.py:643]
{rank 0/100} MD step = 185300 step time: 00:00:00.017982 Performance: 498.436 ns/day 0.048 hours/ns 28.845 steps/s 2023-02-20 03:14:12,802 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 185300 37060 59.206 -33618 6489.1 -40107 -40107 5.28 4.145 -0.26232 3.1748e+05 2023-02-20 03:14:14,687 INFO [main.py:643]
{rank 0/100} MD step = 185400 step time: 00:00:00.018121 Performance: 498.460 ns/day 0.048 hours/ns 28.846 steps/s 2023-02-20 03:14:15,977 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 60.468 -33489 6627.4 -40116 -40116 5.2857 4.1479 -0.26201 3.1765e+05 2023-02-20 03:14:17,906 INFO [main.py:643]
{rank 0/100} MD step = 185500 step time: 00:00:00.025372 Performance: 498.480 ns/day 0.048 hours/ns 28.847 steps/s 2023-02-20 03:14:19,115 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 59.768 -33582 6550.7 -40133 -40133 5.2889 4.1481 -0.2622 3.1785e+05 2023-02-20 03:14:21,046 INFO [main.py:643]
{rank 0/100} MD step = 185600 step time: 00:00:00.017914 Performance: 498.505 ns/day 0.048 hours/ns 28.849 steps/s 2023-02-20 03:14:22,233 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 60.256 -33397 6604.2 -40001 -40001 5.2931 4.1507 -0.26293 3.1801e+05 2023-02-20 03:14:24,208 INFO [main.py:643]
{rank 0/100} MD step = 185700 step time: 00:00:00.018137 Performance: 498.529 ns/day 0.048 hours/ns 28.850 steps/s 2023-02-20 03:14:25,575 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 60.452 -33523 6625.6 -40149 -40149 5.2988 4.1531 -0.26268 3.1816e+05 2023-02-20 03:14:27,388 INFO [main.py:643]
{rank 0/100} MD step = 185800 step time: 00:00:00.018306 Performance: 498.551 ns/day 0.048 hours/ns 28.851 steps/s 2023-02-20 03:14:28,899 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 59.196 -33592 6488 -40080 -40080 5.306 4.1551 -0.26095 3.1834e+05 2023-02-20 03:14:30,816 INFO [main.py:643]
{rank 0/100} MD step = 185900 step time: 00:00:00.017909 Performance: 498.554 ns/day 0.048 hours/ns 28.851 steps/s 2023-02-20 03:14:32,107 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 59.097 -33553 6477.1 -40030 -40030 5.3104 4.1563 -0.26176 3.1855e+05 2023-02-20 03:14:33,984 INFO [main.py:643]
{rank 0/100} MD step = 186000 step time: 00:00:00.018229 Performance: 498.577 ns/day 0.048 hours/ns 28.853 steps/s 2023-02-20 03:14:35,232 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 59.971 -33468 6572.9 -40041 -40041 5.3135 4.1572 -0.26081 3.1873e+05 2023-02-20 03:14:37,195 INFO [main.py:643]
{rank 0/100} MD step = 186100 step time: 00:00:00.018263 Performance: 498.596 ns/day 0.048 hours/ns 28.854 steps/s 2023-02-20 03:14:38,487 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 60.29 -33390 6607.9 -39998 -39998 5.3161 4.1585 -0.25988 3.1892e+05 2023-02-20 03:14:40,482 INFO [main.py:643]
{rank 0/100} MD step = 186200 step time: 00:00:00.017995 Performance: 498.610 ns/day 0.048 hours/ns 28.855 steps/s 2023-02-20 03:14:41,690 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 60.546 -33387 6635.9 -40023 -40023 5.3175 4.1603 -0.26243 3.1907e+05 2023-02-20 03:14:43,671 INFO [main.py:643]
{rank 0/100} MD step = 186300 step time: 00:00:00.020236 Performance: 498.632 ns/day 0.048 hours/ns 28.856 steps/s 2023-02-20 03:14:45,692 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 60.289 -33353 6607.7 -39961 -39961 5.3212 4.161 -0.26362 3.1923e+05 2023-02-20 03:14:47,523 INFO [main.py:643]
{rank 0/100} MD step = 186400 step time: 00:00:00.018309 Performance: 498.602 ns/day 0.048 hours/ns 28.854 steps/s 2023-02-20 03:14:49,085 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 59.643 -33575 6536.9 -40112 -40112 5.3249 4.1641 -0.26463 3.1939e+05 2023-02-20 03:14:50,904 INFO [main.py:643]
{rank 0/100} MD step = 186500 step time: 00:00:00.018049 Performance: 498.608 ns/day 0.048 hours/ns 28.855 steps/s 2023-02-20 03:14:51,833 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 60.417 -33368 6621.8 -39990 -39990 5.3298 4.1668 -0.2656 3.1956e+05 2023-02-20 03:14:54,132 INFO [main.py:643]
{rank 0/100} MD step = 186600 step time: 00:00:00.019535 Performance: 498.627 ns/day 0.048 hours/ns 28.856 steps/s 2023-02-20 03:14:55,344 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 60.354 -33593 6614.8 -40207 -40207 5.333 4.1687 -0.26591 3.1974e+05 2023-02-20 03:14:57,274 INFO [main.py:643]
{rank 0/100} MD step = 186700 step time: 00:00:00.018118 Performance: 498.652 ns/day 0.048 hours/ns 28.857 steps/s 2023-02-20 03:14:58,789 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 60.54 -33478 6635.3 -40114 -40114 5.3375 4.1692 -0.26648 3.199e+05 2023-02-20 03:15:00,619 INFO [main.py:643]
{rank 0/100} MD step = 186800 step time: 00:00:00.018141 Performance: 498.661 ns/day 0.048 hours/ns 28.858 steps/s 2023-02-20 03:15:01,915 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 60.484 -33523 6629.2 -40152 -40152 5.3414 4.1708 -0.26682 3.2005e+05 2023-02-20 03:15:03,934 INFO [main.py:643]
{rank 0/100} MD step = 186900 step time: 00:00:00.018468 Performance: 498.672 ns/day 0.048 hours/ns 28.858 steps/s 2023-02-20 03:15:05,040 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 59.812 -33558 6555.5 -40113 -40113 5.3479 4.1709 -0.26644 3.2024e+05 2023-02-20 03:15:07,170 INFO [main.py:643]
{rank 0/100} MD step = 187000 step time: 00:00:00.018186 Performance: 498.690 ns/day 0.048 hours/ns 28.859 steps/s 2023-02-20 03:15:08,667 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 60.188 -33530 6596.7 -40127 -40127 5.3546 4.1709 -0.26616 3.2039e+05 2023-02-20 03:15:10,587 INFO [main.py:643]
{rank 0/100} MD step = 187100 step time: 00:00:00.018209 Performance: 498.694 ns/day 0.048 hours/ns 28.860 steps/s 2023-02-20 03:15:12,031 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 59.527 -33734 6524.2 -40258 -40258 5.3585 4.1716 -0.26452 3.2053e+05 2023-02-20 03:15:13,872 INFO [main.py:643]
{rank 0/100} MD step = 187200 step time: 00:00:00.018669 Performance: 498.708 ns/day 0.048 hours/ns 28.860 steps/s 2023-02-20 03:15:15,110 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 60.456 -33473 6626.1 -40099 -40099 5.3614 4.173 -0.26446 3.2072e+05 2023-02-20 03:15:17,109 INFO [main.py:643]
{rank 0/100} MD step = 187300 step time: 00:00:00.017940 Performance: 498.725 ns/day 0.048 hours/ns 28.861 steps/s 2023-02-20 03:15:18,340 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 60 -33655 6576.1 -40231 -40231 5.3631 4.1745 -0.26457 3.2089e+05 2023-02-20 03:15:20,268 INFO [main.py:643]
{rank 0/100} MD step = 187400 step time: 00:00:00.018382 Performance: 498.749 ns/day 0.048 hours/ns 28.863 steps/s 2023-02-20 03:15:21,411 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 60.073 -33482 6584.1 -40066 -40066 5.367 4.1758 -0.26498 3.2107e+05 2023-02-20 03:15:23,445 INFO [main.py:643]
{rank 0/100} MD step = 187500 step time: 00:00:00.018209 Performance: 498.771 ns/day 0.048 hours/ns 28.864 steps/s 2023-02-20 03:15:24,573 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 59.696 -33537 6542.8 -40080 -40080 5.3718 4.1775 -0.26553 3.2125e+05 2023-02-20 03:15:26,520 INFO [main.py:643]
{rank 0/100} MD step = 187600 step time: 00:00:00.018408 Performance: 498.801 ns/day 0.048 hours/ns 28.866 steps/s 2023-02-20 03:15:28,008 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 59.655 -33463 6538.2 -40001 -40001 5.3775 4.1796 -0.26765 3.2144e+05 2023-02-20 03:15:30,005 INFO [main.py:643]
{rank 0/100} MD step = 187700 step time: 00:00:00.017931 Performance: 498.799 ns/day 0.048 hours/ns 28.866 steps/s 2023-02-20 03:15:31,373 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 60.138 -33638 6591.2 -40229 -40229 5.3809 4.1815 -0.26848 3.2158e+05 2023-02-20 03:15:33,327 INFO [main.py:643]
{rank 0/100} MD step = 187800 step time: 00:00:00.018637 Performance: 498.810 ns/day 0.048 hours/ns 28.866 steps/s 2023-02-20 03:15:34,712 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 60.313 -33522 6610.4 -40132 -40132 5.3845 4.1832 -0.26689 3.2175e+05 2023-02-20 03:15:36,640 INFO [main.py:643]
{rank 0/100} MD step = 187900 step time: 00:00:00.018471 Performance: 498.822 ns/day 0.048 hours/ns 28.867 steps/s 2023-02-20 03:15:37,981 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 60.511 -33347 6632.1 -39979 -39979 5.3879 4.1854 -0.2678 3.2194e+05 2023-02-20 03:15:39,877 INFO [main.py:643]
{rank 0/100} MD step = 188000 step time: 00:00:00.017913 Performance: 498.839 ns/day 0.048 hours/ns 28.868 steps/s 2023-02-20 03:15:41,206 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 60.126 -33556 6589.9 -40146 -40146 5.3927 4.1858 -0.26702 3.2208e+05 2023-02-20 03:15:43,089 INFO [main.py:643]
{rank 0/100} MD step = 188100 step time: 00:00:00.018290 Performance: 498.858 ns/day 0.048 hours/ns 28.869 steps/s 2023-02-20 03:15:44,315 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 59.583 -33641 6530.3 -40171 -40171 5.396 4.187 -0.26832 3.2227e+05 2023-02-20 03:15:46,246 INFO [main.py:643]
{rank 0/100} MD step = 188200 step time: 00:00:00.018126 Performance: 498.882 ns/day 0.048 hours/ns 28.870 steps/s 2023-02-20 03:15:47,547 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 59.724 -33578 6545.8 -40124 -40124 5.4006 4.1893 -0.26786 3.2246e+05 2023-02-20 03:15:49,409 INFO [main.py:643]
{rank 0/100} MD step = 188300 step time: 00:00:00.018313 Performance: 498.905 ns/day 0.048 hours/ns 28.872 steps/s 2023-02-20 03:15:50,665 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 188300 37660 59.382 -33558 6508.3 -40066 -40066 5.4013 4.1908 -0.26621 3.2261e+05 2023-02-20 03:15:52,613 INFO [main.py:643]
{rank 0/100} MD step = 188400 step time: 00:00:00.018201 Performance: 498.925 ns/day 0.048 hours/ns 28.873 steps/s 2023-02-20 03:15:53,983 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 61.012 -33401 6687 -40088 -40088 5.4063 4.1916 -0.26361 3.2278e+05 2023-02-20 03:15:55,843 INFO [main.py:643]
{rank 0/100} MD step = 188500 step time: 00:00:00.019470 Performance: 498.942 ns/day 0.048 hours/ns 28.874 steps/s 2023-02-20 03:15:57,256 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 59.377 -33626 6507.8 -40134 -40134 5.4107 4.1923 -0.264 3.2296e+05 2023-02-20 03:15:59,074 INFO [main.py:643]
{rank 0/100} MD step = 188600 step time: 00:00:00.018059 Performance: 498.960 ns/day 0.048 hours/ns 28.875 steps/s 2023-02-20 03:16:00,533 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 59.212 -33640 6489.7 -40130 -40130 5.413 4.1948 -0.26518 3.2311e+05 2023-02-20 03:16:02,524 INFO [main.py:643]
{rank 0/100} MD step = 188700 step time: 00:00:00.018012 Performance: 498.961 ns/day 0.048 hours/ns 28.875 steps/s 2023-02-20 03:16:03,810 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 60.129 -33513 6590.2 -40103 -40103 5.4177 4.1987 -0.26464 3.2328e+05 2023-02-20 03:16:05,634 INFO [main.py:643]
{rank 0/100} MD step = 188800 step time: 00:00:00.017927 Performance: 498.988 ns/day 0.048 hours/ns 28.877 steps/s 2023-02-20 03:16:07,270 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 59.747 -33464 6548.4 -40012 -40012 5.4211 4.2008 -0.26375 3.2348e+05 2023-02-20 03:16:09,145 INFO [main.py:643]
{rank 0/100} MD step = 188900 step time: 00:00:00.018101 Performance: 498.984 ns/day 0.048 hours/ns 28.876 steps/s 2023-02-20 03:16:10,955 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 60.288 -33565 6607.7 -40173 -40173 5.4243 4.2031 -0.26271 3.2363e+05 2023-02-20 03:16:12,900 INFO [main.py:643]
{rank 0/100} MD step = 189000 step time: 00:00:00.018010 Performance: 498.962 ns/day 0.048 hours/ns 28.875 steps/s 2023-02-20 03:16:14,205 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 60.982 -33485 6683.7 -40169 -40169 5.4259 4.205 -0.26187 3.2379e+05 2023-02-20 03:16:16,217 INFO [main.py:643]
{rank 0/100} MD step = 189100 step time: 00:00:00.017987 Performance: 498.973 ns/day 0.048 hours/ns 28.876 steps/s 2023-02-20 03:16:17,495 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 60.33 -33594 6612.2 -40206 -40206 5.4288 4.2068 -0.26233 3.2394e+05 2023-02-20 03:16:19,415 INFO [main.py:643]
{rank 0/100} MD step = 189200 step time: 00:00:00.018094 Performance: 498.993 ns/day 0.048 hours/ns 28.877 steps/s 2023-02-20 03:16:20,840 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 60.998 -33402 6685.5 -40087 -40087 5.4352 4.2078 -0.26137 3.2414e+05 2023-02-20 03:16:22,675 INFO [main.py:643]
{rank 0/100} MD step = 189300 step time: 00:00:00.018031 Performance: 499.009 ns/day 0.048 hours/ns 28.878 steps/s 2023-02-20 03:16:24,073 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 60.372 -33503 6616.9 -40120 -40120 5.4392 4.2091 -0.26449 3.2433e+05 2023-02-20 03:16:26,157 INFO [main.py:643]
{rank 0/100} MD step = 189400 step time: 00:00:00.018146 Performance: 499.007 ns/day 0.048 hours/ns 28.878 steps/s 2023-02-20 03:16:27,695 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 189400 37880 59.976 -33583 6573.5 -40156 -40156 5.4439 4.2098 -0.2639 3.2445e+05 2023-02-20 03:16:29,639 INFO [main.py:643]
{rank 0/100} MD step = 189500 step time: 00:00:00.019984 Performance: 499.006 ns/day 0.048 hours/ns 28.878 steps/s 2023-02-20 03:16:31,333 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 59.255 -33582 6494.4 -40076 -40076 5.4466 4.2125 -0.26447 3.2462e+05 2023-02-20 03:16:33,271 INFO [main.py:643]
{rank 0/100} MD step = 189600 step time: 00:00:00.018016 Performance: 498.993 ns/day 0.048 hours/ns 28.877 steps/s 2023-02-20 03:16:34,575 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 60.43 -33451 6623.2 -40074 -40074 5.4525 4.2151 -0.26187 3.2481e+05 2023-02-20 03:16:36,406 INFO [main.py:643]
{rank 0/100} MD step = 189700 step time: 00:00:00.018322 Performance: 499.018 ns/day 0.048 hours/ns 28.878 steps/s 2023-02-20 03:16:37,599 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 59.731 -33629 6546.6 -40175 -40175 5.4571 4.2157 -0.26103 3.2496e+05 2023-02-20 03:16:39,527 INFO [main.py:643]
{rank 0/100} MD step = 189800 step time: 00:00:00.018037 Performance: 499.044 ns/day 0.048 hours/ns 28.880 steps/s 2023-02-20 03:16:40,934 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 59.554 -33618 6527.2 -40145 -40145 5.4593 4.2167 -0.26013 3.2512e+05 2023-02-20 03:16:42,771 INFO [main.py:643]
{rank 0/100} MD step = 189900 step time: 00:00:00.018648 Performance: 499.061 ns/day 0.048 hours/ns 28.881 steps/s 2023-02-20 03:16:44,067 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 59.669 -33658 6539.8 -40198 -40198 5.4635 4.2191 -0.25925 3.2529e+05 2023-02-20 03:16:45,951 INFO [main.py:643]
{rank 0/100} MD step = 190000 step time: 00:00:00.017925 Performance: 499.082 ns/day 0.048 hours/ns 28.882 steps/s 2023-02-20 03:16:47,267 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 60.567 -33423 6638.2 -40061 -40061 5.4666 4.2195 -0.26023 3.2548e+05 2023-02-20 03:16:49,101 INFO [main.py:643]
{rank 0/100} MD step = 190100 step time: 00:00:00.018068 Performance: 499.106 ns/day 0.048 hours/ns 28.883 steps/s 2023-02-20 03:16:50,436 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 59.967 -33545 6572.5 -40118 -40118 5.4683 4.2208 -0.26009 3.2562e+05 2023-02-20 03:16:52,260 INFO [main.py:643]
{rank 0/100} MD step = 190200 step time: 00:00:00.018191 Performance: 499.129 ns/day 0.048 hours/ns 28.885 steps/s 2023-02-20 03:16:53,774 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 59.731 -33593 6546.6 -40140 -40140 5.4717 4.2238 -0.26047 3.2578e+05 2023-02-20 03:16:55,604 INFO [main.py:643]
{rank 0/100} MD step = 190300 step time: 00:00:00.018032 Performance: 499.138 ns/day 0.048 hours/ns 28.885 steps/s 2023-02-20 03:16:56,982 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 60.019 -33650 6578.1 -40228 -40228 5.4751 4.225 -0.25872 3.2595e+05 2023-02-20 03:16:58,896 INFO [main.py:643]
{rank 0/100} MD step = 190400 step time: 00:00:00.018313 Performance: 499.151 ns/day 0.048 hours/ns 28.886 steps/s 2023-02-20 03:17:00,157 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 59.984 -33480 6574.3 -40054 -40054 5.4792 4.2249 -0.26024 3.2613e+05 2023-02-20 03:17:01,996 INFO [main.py:643]
{rank 0/100} MD step = 190500 step time: 00:00:00.018391 Performance: 499.178 ns/day 0.048 hours/ns 28.888 steps/s 2023-02-20 03:17:03,206 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 59.958 -33583 6571.5 -40154 -40154 5.4807 4.2279 -0.26146 3.263e+05 2023-02-20 03:17:05,299 INFO [main.py:643]
{rank 0/100} MD step = 190600 step time: 00:00:00.018403 Performance: 499.190 ns/day 0.048 hours/ns 28.888 steps/s 2023-02-20 03:17:06,524 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 59.911 -33542 6566.4 -40109 -40109 5.4859 4.2289 -0.26165 3.2649e+05 2023-02-20 03:17:08,461 INFO [main.py:643]
{rank 0/100} MD step = 190700 step time: 00:00:00.018047 Performance: 499.213 ns/day 0.048 hours/ns 28.890 steps/s 2023-02-20 03:17:09,537 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 60.024 -33435 6578.7 -40014 -40014 5.4907 4.2296 -0.26059 3.2669e+05 2023-02-20 03:17:11,552 INFO [main.py:643]
{rank 0/100} MD step = 190800 step time: 00:00:00.017965 Performance: 499.241 ns/day 0.048 hours/ns 28.891 steps/s 2023-02-20 03:17:12,823 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 59.991 -33588 6575.1 -40163 -40163 5.4929 4.2305 -0.26028 3.2683e+05 2023-02-20 03:17:14,668 INFO [main.py:643]
{rank 0/100} MD step = 190900 step time: 00:00:00.018079 Performance: 499.267 ns/day 0.048 hours/ns 28.893 steps/s 2023-02-20 03:17:15,974 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 60.076 -33463 6584.4 -40048 -40048 5.4974 4.2318 -0.26146 3.2703e+05 2023-02-20 03:17:17,823 INFO [main.py:643]
{rank 0/100} MD step = 191000 step time: 00:00:00.018127 Performance: 499.290 ns/day 0.048 hours/ns 28.894 steps/s 2023-02-20 03:17:18,977 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 60.358 -33497 6615.3 -40112 -40112 5.4999 4.233 -0.26172 3.2718e+05 2023-02-20 03:17:20,928 INFO [main.py:643]
{rank 0/100} MD step = 191100 step time: 00:00:00.017994 Performance: 499.317 ns/day 0.048 hours/ns 28.896 steps/s 2023-02-20 03:17:22,353 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 60.635 -33510 6645.7 -40156 -40156 5.5018 4.233 -0.26236 3.2733e+05 2023-02-20 03:17:24,299 INFO [main.py:643]
{rank 0/100} MD step = 191200 step time: 00:00:00.018509 Performance: 499.323 ns/day 0.048 hours/ns 28.896 steps/s 2023-02-20 03:17:25,796 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 59.985 -33557 6574.5 -40132 -40132 5.5045 4.2345 -0.26146 3.2751e+05 2023-02-20 03:17:27,653 INFO [main.py:643]
{rank 0/100} MD step = 191300 step time: 00:00:00.018060 Performance: 499.331 ns/day 0.048 hours/ns 28.896 steps/s 2023-02-20 03:17:28,884 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 59.802 -33546 6554.3 -40101 -40101 5.5102 4.2377 -0.26323 3.2771e+05 2023-02-20 03:17:30,746 INFO [main.py:643]
{rank 0/100} MD step = 191400 step time: 00:00:00.018092 Performance: 499.359 ns/day 0.048 hours/ns 28.898 steps/s 2023-02-20 03:17:31,959 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 191400 38280 60.053 -33560 6581.9 -40142 -40142 5.5153 4.2394 -0.26472 3.2787e+05 2023-02-20 03:17:33,872 INFO [main.py:643]
{rank 0/100} MD step = 191500 step time: 00:00:00.018191 Performance: 499.384 ns/day 0.048 hours/ns 28.900 steps/s 2023-02-20 03:17:35,183 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 59.807 -33566 6554.9 -40121 -40121 5.5189 4.242 -0.26741 3.2805e+05 2023-02-20 03:17:37,008 INFO [main.py:643]
{rank 0/100} MD step = 191600 step time: 00:00:00.018004 Performance: 499.409 ns/day 0.048 hours/ns 28.901 steps/s 2023-02-20 03:17:38,239 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 60.63 -33485 6645.1 -40130 -40130 5.5223 4.2434 -0.26687 3.2822e+05 2023-02-20 03:17:40,145 INFO [main.py:643]
{rank 0/100} MD step = 191700 step time: 00:00:00.017894 Performance: 499.433 ns/day 0.048 hours/ns 28.902 steps/s 2023-02-20 03:17:41,372 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 59.375 -33547 6507.6 -40054 -40054 5.5248 4.2447 -0.26628 3.2839e+05 2023-02-20 03:17:43,319 INFO [main.py:643]
{rank 0/100} MD step = 191800 step time: 00:00:00.017971 Performance: 499.455 ns/day 0.048 hours/ns 28.904 steps/s 2023-02-20 03:17:44,302 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 59.247 -33565 6493.5 -40058 -40058 5.5264 4.2473 -0.26744 3.2856e+05 2023-02-20 03:17:46,461 INFO [main.py:643]
{rank 0/100} MD step = 191900 step time: 00:00:00.017891 Performance: 499.479 ns/day 0.048 hours/ns 28.905 steps/s 2023-02-20 03:17:47,939 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 59.138 -33578 6481.6 -40059 -40059 5.5298 4.2484 -0.26897 3.2873e+05 2023-02-20 03:17:49,835 INFO [main.py:643]
{rank 0/100} MD step = 192000 step time: 00:00:00.017945 Performance: 499.485 ns/day 0.048 hours/ns 28.905 steps/s 2023-02-20 03:17:51,041 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 60.229 -33632 6601.2 -40234 -40234 5.5307 4.2502 -0.26944 3.2889e+05 2023-02-20 03:17:52,930 INFO [main.py:643]
{rank 0/100} MD step = 192100 step time: 00:00:00.018058 Performance: 499.512 ns/day 0.048 hours/ns 28.907 steps/s 2023-02-20 03:17:54,248 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 59.844 -33610 6559 -40169 -40169 5.5328 4.2522 -0.2695 3.2906e+05 2023-02-20 03:17:56,125 INFO [main.py:643]
{rank 0/100} MD step = 192200 step time: 00:00:00.018130 Performance: 499.532 ns/day 0.048 hours/ns 28.908 steps/s 2023-02-20 03:17:57,455 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 60.314 -33591 6610.5 -40202 -40202 5.5361 4.2541 -0.2684 3.2924e+05 2023-02-20 03:17:59,334 INFO [main.py:643]
{rank 0/100} MD step = 192300 step time: 00:00:00.018098 Performance: 499.551 ns/day 0.048 hours/ns 28.909 steps/s 2023-02-20 03:18:00,617 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 192300 38460 60.789 -33475 6662.6 -40137 -40137 5.5373 4.2568 -0.27 3.2941e+05 2023-02-20 03:18:02,470 INFO [main.py:643]
{rank 0/100} MD step = 192400 step time: 00:00:00.018253 Performance: 499.575 ns/day 0.048 hours/ns 28.911 steps/s 2023-02-20 03:18:03,689 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 60.14 -33601 6591.5 -40192 -40192 5.5426 4.2593 -0.27118 3.2959e+05 2023-02-20 03:18:05,585 INFO [main.py:643]
{rank 0/100} MD step = 192500 step time: 00:00:00.018071 Performance: 499.601 ns/day 0.048 hours/ns 28.912 steps/s 2023-02-20 03:18:06,804 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 192500 38500 60.011 -33563 6577.3 -40141 -40141 5.545 4.2592 -0.27101 3.2975e+05 2023-02-20 03:18:08,724 INFO [main.py:643]
{rank 0/100} MD step = 192600 step time: 00:00:00.018033 Performance: 499.625 ns/day 0.048 hours/ns 28.913 steps/s 2023-02-20 03:18:09,964 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 60.478 -33458 6628.5 -40086 -40086 5.5487 4.259 -0.27039 3.2993e+05 2023-02-20 03:18:11,867 INFO [main.py:643]
{rank 0/100} MD step = 192700 step time: 00:00:00.018354 Performance: 499.649 ns/day 0.048 hours/ns 28.915 steps/s 2023-02-20 03:18:13,158 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 59.572 -33659 6529.2 -40188 -40188 5.553 4.2595 -0.26967 3.3009e+05 2023-02-20 03:18:15,011 INFO [main.py:643]
{rank 0/100} MD step = 192800 step time: 00:00:00.018614 Performance: 499.672 ns/day 0.048 hours/ns 28.916 steps/s 2023-02-20 03:18:16,216 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 60.134 -33514 6590.7 -40105 -40105 5.5552 4.2612 -0.2687 3.3028e+05 2023-02-20 03:18:18,151 INFO [main.py:643]
{rank 0/100} MD step = 192900 step time: 00:00:00.018100 Performance: 499.696 ns/day 0.048 hours/ns 28.918 steps/s 2023-02-20 03:18:19,513 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 59.609 -33645 6533.2 -40178 -40178 5.5579 4.2607 -0.27007 3.3043e+05 2023-02-20 03:18:21,320 INFO [main.py:643]
{rank 0/100} MD step = 193000 step time: 00:00:00.018393 Performance: 499.718 ns/day 0.048 hours/ns 28.919 steps/s 2023-02-20 03:18:22,507 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 60.427 -33507 6622.9 -40130 -40130 5.562 4.2622 -0.26956 3.3062e+05 2023-02-20 03:18:24,442 INFO [main.py:643]
{rank 0/100} MD step = 193100 step time: 00:00:00.017738 Performance: 499.743 ns/day 0.048 hours/ns 28.920 steps/s 2023-02-20 03:18:25,664 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 59.779 -33626 6551.9 -40178 -40178 5.5643 4.264 -0.27031 3.308e+05 2023-02-20 03:18:27,622 INFO [main.py:643]
{rank 0/100} MD step = 193200 step time: 00:00:00.018211 Performance: 499.764 ns/day 0.048 hours/ns 28.922 steps/s 2023-02-20 03:18:28,831 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 59.659 -33683 6538.7 -40221 -40221 5.5676 4.2665 -0.26981 3.3097e+05 2023-02-20 03:18:30,727 INFO [main.py:643]
{rank 0/100} MD step = 193300 step time: 00:00:00.018032 Performance: 499.790 ns/day 0.048 hours/ns 28.923 steps/s 2023-02-20 03:18:32,111 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 60.644 -33476 6646.7 -40123 -40123 5.5738 4.266 -0.26939 3.3116e+05 2023-02-20 03:18:34,059 INFO [main.py:643]
{rank 0/100} MD step = 193400 step time: 00:00:00.018207 Performance: 499.800 ns/day 0.048 hours/ns 28.924 steps/s 2023-02-20 03:18:35,358 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 59.458 -33577 6516.7 -40094 -40094 5.5776 4.2655 -0.27163 3.3135e+05 2023-02-20 03:18:37,172 INFO [main.py:643]
{rank 0/100} MD step = 193500 step time: 00:00:00.018017 Performance: 499.825 ns/day 0.048 hours/ns 28.925 steps/s 2023-02-20 03:18:38,258 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 59.034 -33735 6470.2 -40205 -40205 5.5822 4.2648 -0.27064 3.315e+05 2023-02-20 03:18:40,275 INFO [main.py:643]
{rank 0/100} MD step = 193600 step time: 00:00:00.017866 Performance: 499.852 ns/day 0.048 hours/ns 28.927 steps/s 2023-02-20 03:18:41,731 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 59.848 -33468 6559.4 -40027 -40027 5.5844 4.2662 -0.27161 3.3172e+05 2023-02-20 03:18:43,617 INFO [main.py:643]
{rank 0/100} MD step = 193700 step time: 00:00:00.018633 Performance: 499.860 ns/day 0.048 hours/ns 28.927 steps/s 2023-02-20 03:18:44,950 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 59.835 -33578 6558 -40136 -40136 5.5887 4.2689 -0.27213 3.3187e+05 2023-02-20 03:18:46,750 INFO [main.py:643]
{rank 0/100} MD step = 193800 step time: 00:00:00.018140 Performance: 499.884 ns/day 0.048 hours/ns 28.928 steps/s 2023-02-20 03:18:47,950 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 59.936 -33520 6569.1 -40089 -40089 5.5922 4.2698 -0.27175 3.3204e+05 2023-02-20 03:18:49,857 INFO [main.py:643]
{rank 0/100} MD step = 193900 step time: 00:00:00.018249 Performance: 499.911 ns/day 0.048 hours/ns 28.930 steps/s 2023-02-20 03:18:51,046 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 193900 38780 60.773 -33512 6660.8 -40173 -40173 5.5958 4.2719 -0.27122 3.322e+05 2023-02-20 03:18:53,037 INFO [main.py:643]
{rank 0/100} MD step = 194000 step time: 00:00:00.018195 Performance: 499.931 ns/day 0.048 hours/ns 28.931 steps/s 2023-02-20 03:18:54,339 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 60.307 -33682 6609.8 -40292 -40292 5.6018 4.2733 -0.27158 3.3236e+05 2023-02-20 03:18:56,177 INFO [main.py:643]
{rank 0/100} MD step = 194100 step time: 00:00:00.018122 Performance: 499.955 ns/day 0.048 hours/ns 28.933 steps/s 2023-02-20 03:18:57,575 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 60.35 -33634 6614.4 -40248 -40248 5.6059 4.2767 -0.27156 3.3254e+05 2023-02-20 03:18:59,530 INFO [main.py:643]
{rank 0/100} MD step = 194200 step time: 00:00:00.018001 Performance: 499.962 ns/day 0.048 hours/ns 28.933 steps/s 2023-02-20 03:19:00,745 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 59.611 -33688 6533.5 -40222 -40222 5.6083 4.2792 -0.27165 3.3269e+05 2023-02-20 03:19:02,672 INFO [main.py:643]
{rank 0/100} MD step = 194300 step time: 00:00:00.018063 Performance: 499.986 ns/day 0.048 hours/ns 28.934 steps/s 2023-02-20 03:19:03,911 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 59.352 -33681 6505 -40186 -40186 5.6135 4.2805 -0.27325 3.3286e+05 2023-02-20 03:19:05,790 INFO [main.py:643]
{rank 0/100} MD step = 194400 step time: 00:00:00.018558 Performance: 500.011 ns/day 0.048 hours/ns 28.936 steps/s 2023-02-20 03:19:07,078 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 194400 38880 59.192 -33601 6487.6 -40089 -40089 5.6185 4.2816 -0.27384 3.3305e+05 2023-02-20 03:19:08,957 INFO [main.py:643]
{rank 0/100} MD step = 194500 step time: 00:00:00.018047 Performance: 500.033 ns/day 0.048 hours/ns 28.937 steps/s 2023-02-20 03:19:10,143 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 59.37 -33624 6507.1 -40131 -40131 5.6234 4.2834 -0.27384 3.3326e+05 2023-02-20 03:19:12,045 INFO [main.py:643]
{rank 0/100} MD step = 194600 step time: 00:00:00.018051 Performance: 500.060 ns/day 0.048 hours/ns 28.939 steps/s 2023-02-20 03:19:13,279 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 60.711 -33534 6654 -40188 -40188 5.6277 4.286 -0.27407 3.334e+05 2023-02-20 03:19:15,136 INFO [main.py:643]
{rank 0/100} MD step = 194700 step time: 00:00:00.018006 Performance: 500.087 ns/day 0.048 hours/ns 28.940 steps/s 2023-02-20 03:19:16,224 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 60.055 -33431 6582.1 -40013 -40013 5.6337 4.2875 -0.27315 3.3362e+05 2023-02-20 03:19:18,259 INFO [main.py:643]
{rank 0/100} MD step = 194800 step time: 00:00:00.018719 Performance: 500.112 ns/day 0.048 hours/ns 28.942 steps/s 2023-02-20 03:19:19,572 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 60.278 -33518 6606.6 -40124 -40124 5.6398 4.2895 -0.27247 3.3378e+05 2023-02-20 03:19:21,450 INFO [main.py:643]
{rank 0/100} MD step = 194900 step time: 00:00:00.018188 Performance: 500.131 ns/day 0.048 hours/ns 28.943 steps/s 2023-02-20 03:19:22,615 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 59.319 -33695 6501.4 -40197 -40197 5.6444 4.2906 -0.27237 3.3395e+05 2023-02-20 03:19:24,578 INFO [main.py:643]
{rank 0/100} MD step = 195000 step time: 00:00:00.018116 Performance: 500.156 ns/day 0.048 hours/ns 28.944 steps/s 2023-02-20 03:19:25,854 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 60.852 -33499 6669.4 -40169 -40169 5.6489 4.2916 -0.27171 3.3414e+05 2023-02-20 03:19:27,708 INFO [main.py:643]
{rank 0/100} MD step = 195100 step time: 00:00:00.018158 Performance: 500.180 ns/day 0.048 hours/ns 28.946 steps/s 2023-02-20 03:19:29,283 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 59.986 -33606 6574.5 -40180 -40180 5.6532 4.2922 -0.27249 3.343e+05 2023-02-20 03:19:31,228 INFO [main.py:643]
{rank 0/100} MD step = 195200 step time: 00:00:00.018239 Performance: 500.175 ns/day 0.048 hours/ns 28.945 steps/s 2023-02-20 03:19:32,676 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 60.012 -33671 6577.4 -40249 -40249 5.6589 4.2922 -0.27156 3.3443e+05 2023-02-20 03:19:34,566 INFO [main.py:643]
{rank 0/100} MD step = 195300 step time: 00:00:00.018741 Performance: 500.183 ns/day 0.048 hours/ns 28.946 steps/s 2023-02-20 03:19:35,902 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 60.005 -33562 6576.6 -40139 -40139 5.6627 4.2929 -0.27158 3.3461e+05 2023-02-20 03:19:37,717 INFO [main.py:643]
{rank 0/100} MD step = 195400 step time: 00:00:00.018358 Performance: 500.206 ns/day 0.048 hours/ns 28.947 steps/s 2023-02-20 03:19:38,895 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 60.44 -33372 6624.3 -39996 -39996 5.6665 4.2933 -0.2713 3.3483e+05 2023-02-20 03:19:40,910 INFO [main.py:643]
{rank 0/100} MD step = 195500 step time: 00:00:00.017959 Performance: 500.225 ns/day 0.048 hours/ns 28.948 steps/s 2023-02-20 03:19:42,283 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 60.051 -33554 6581.7 -40136 -40136 5.6714 4.2957 -0.26888 3.3495e+05 2023-02-20 03:19:44,168 INFO [main.py:643]
{rank 0/100} MD step = 195600 step time: 00:00:00.018234 Performance: 500.240 ns/day 0.048 hours/ns 28.949 steps/s 2023-02-20 03:19:45,398 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 60.058 -33590 6582.5 -40173 -40173 5.6737 4.296 -0.27034 3.3511e+05 2023-02-20 03:19:47,307 INFO [main.py:643]
{rank 0/100} MD step = 195700 step time: 00:00:00.017972 Performance: 500.263 ns/day 0.048 hours/ns 28.950 steps/s 2023-02-20 03:19:48,665 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 59.941 -33671 6569.7 -40241 -40241 5.6788 4.2973 -0.26982 3.3529e+05 2023-02-20 03:19:50,486 INFO [main.py:643]
{rank 0/100} MD step = 195800 step time: 00:00:00.018066 Performance: 500.284 ns/day 0.048 hours/ns 28.952 steps/s 2023-02-20 03:19:51,698 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 59.266 -33571 6495.6 -40067 -40067 5.6842 4.2977 -0.26963 3.3547e+05 2023-02-20 03:19:53,612 INFO [main.py:643]
{rank 0/100} MD step = 195900 step time: 00:00:00.018033 Performance: 500.308 ns/day 0.048 hours/ns 28.953 steps/s 2023-02-20 03:19:54,838 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 60.167 -33502 6594.3 -40096 -40096 5.688 4.299 -0.27013 3.3564e+05 2023-02-20 03:19:56,696 INFO [main.py:643]
{rank 0/100} MD step = 196000 step time: 00:00:00.018864 Performance: 500.335 ns/day 0.048 hours/ns 28.955 steps/s 2023-02-20 03:19:57,916 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 196000 39200 59.544 -33567 6526.1 -40093 -40093 5.6909 4.3012 -0.27078 3.3583e+05 2023-02-20 03:19:59,782 INFO [main.py:643]
{rank 0/100} MD step = 196100 step time: 00:00:00.017964 Performance: 500.362 ns/day 0.048 hours/ns 28.956 steps/s 2023-02-20 03:20:00,948 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 59.334 -33712 6503.1 -40215 -40215 5.694 4.3031 -0.27165 3.36e+05 2023-02-20 03:20:02,848 INFO [main.py:643]
{rank 0/100} MD step = 196200 step time: 00:00:00.018037 Performance: 500.391 ns/day 0.048 hours/ns 28.958 steps/s 2023-02-20 03:20:04,164 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 196200 39240 59.942 -33540 6569.7 -40110 -40110 5.698 4.3044 -0.2718 3.3617e+05 2023-02-20 03:20:05,969 INFO [main.py:643]
{rank 0/100} MD step = 196300 step time: 00:00:00.018377 Performance: 500.416 ns/day 0.048 hours/ns 28.959 steps/s 2023-02-20 03:20:06,782 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 60.211 -33499 6599.2 -40098 -40098 5.7017 4.3065 -0.27065 3.3633e+05 2023-02-20 03:20:09,126 INFO [main.py:643]
{rank 0/100} MD step = 196400 step time: 00:00:00.018161 Performance: 500.437 ns/day 0.048 hours/ns 28.960 steps/s 2023-02-20 03:20:10,297 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 59.829 -33459 6557.3 -40016 -40016 5.7055 4.3076 -0.27003 3.3653e+05 2023-02-20 03:20:12,175 INFO [main.py:643]
{rank 0/100} MD step = 196500 step time: 00:00:00.017941 Performance: 500.467 ns/day 0.048 hours/ns 28.962 steps/s 2023-02-20 03:20:13,419 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 60.532 -33446 6634.3 -40080 -40080 5.7087 4.3081 -0.27053 3.3669e+05 2023-02-20 03:20:15,240 INFO [main.py:643]
{rank 0/100} MD step = 196600 step time: 00:00:00.018132 Performance: 500.496 ns/day 0.048 hours/ns 28.964 steps/s 2023-02-20 03:20:16,545 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 60.015 -33440 6577.8 -40018 -40018 5.7105 4.3092 -0.27 3.3687e+05 2023-02-20 03:20:18,398 INFO [main.py:643]
{rank 0/100} MD step = 196700 step time: 00:00:00.018027 Performance: 500.517 ns/day 0.048 hours/ns 28.965 steps/s 2023-02-20 03:20:19,599 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 196700 39340 59.732 -33591 6546.7 -40138 -40138 5.714 4.3108 -0.26965 3.3703e+05 2023-02-20 03:20:21,575 INFO [main.py:643]
{rank 0/100} MD step = 196800 step time: 00:00:00.018156 Performance: 500.538 ns/day 0.048 hours/ns 28.966 steps/s 2023-02-20 03:20:22,957 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 59.904 -33584 6565.5 -40150 -40150 5.7198 4.3129 -0.27116 3.3721e+05 2023-02-20 03:20:24,790 INFO [main.py:643]
{rank 0/100} MD step = 196900 step time: 00:00:00.018273 Performance: 500.555 ns/day 0.048 hours/ns 28.967 steps/s 2023-02-20 03:20:26,037 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 60.29 -33523 6607.8 -40130 -40130 5.7237 4.3133 -0.27291 3.3738e+05 2023-02-20 03:20:28,014 INFO [main.py:643]
{rank 0/100} MD step = 197000 step time: 00:00:00.017980 Performance: 500.572 ns/day 0.048 hours/ns 28.968 steps/s 2023-02-20 03:20:29,149 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 60.274 -33569 6606.1 -40175 -40175 5.7278 4.3137 -0.27481 3.3754e+05 2023-02-20 03:20:31,150 INFO [main.py:643]
{rank 0/100} MD step = 197100 step time: 00:00:00.017908 Performance: 500.595 ns/day 0.048 hours/ns 28.970 steps/s 2023-02-20 03:20:32,273 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 60.024 -33603 6578.7 -40182 -40182 5.7335 4.3148 -0.27527 3.3771e+05 2023-02-20 03:20:34,313 INFO [main.py:643]
{rank 0/100} MD step = 197200 step time: 00:00:00.018248 Performance: 500.617 ns/day 0.048 hours/ns 28.971 steps/s 2023-02-20 03:20:35,709 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 197200 39440 60.778 -33570 6661.4 -40232 -40232 5.7378 4.3173 -0.27476 3.3788e+05 2023-02-20 03:20:37,558 INFO [main.py:643]
{rank 0/100} MD step = 197300 step time: 00:00:00.018175 Performance: 500.632 ns/day 0.048 hours/ns 28.972 steps/s 2023-02-20 03:20:38,881 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 59.481 -33665 6519.2 -40184 -40184 5.7448 4.3172 -0.27532 3.3808e+05 2023-02-20 03:20:40,702 INFO [main.py:643]
{rank 0/100} MD step = 197400 step time: 00:00:00.018905 Performance: 500.654 ns/day 0.048 hours/ns 28.973 steps/s 2023-02-20 03:20:42,079 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 59.729 -33515 6546.4 -40062 -40062 5.7492 4.3176 -0.27625 3.3828e+05 2023-02-20 03:20:43,974 INFO [main.py:643]
{rank 0/100} MD step = 197500 step time: 00:00:00.018897 Performance: 500.667 ns/day 0.048 hours/ns 28.974 steps/s 2023-02-20 03:20:45,262 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 59.752 -33640 6548.9 -40189 -40189 5.7543 4.3188 -0.27592 3.3842e+05 2023-02-20 03:20:47,155 INFO [main.py:643]
{rank 0/100} MD step = 197600 step time: 00:00:00.017988 Performance: 500.687 ns/day 0.048 hours/ns 28.975 steps/s 2023-02-20 03:20:48,407 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 197600 39520 59.225 -33584 6491.1 -40075 -40075 5.7581 4.3194 -0.27472 3.3862e+05 2023-02-20 03:20:50,341 INFO [main.py:643]
{rank 0/100} MD step = 197700 step time: 00:00:00.018301 Performance: 500.707 ns/day 0.048 hours/ns 28.976 steps/s 2023-02-20 03:20:51,557 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 59.027 -33555 6469.5 -40025 -40025 5.7629 4.3215 -0.27592 3.3882e+05 2023-02-20 03:20:53,498 INFO [main.py:643]
{rank 0/100} MD step = 197800 step time: 00:00:00.018029 Performance: 500.728 ns/day 0.048 hours/ns 28.977 steps/s 2023-02-20 03:20:55,124 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 59.094 -33661 6476.8 -40137 -40137 5.7682 4.323 -0.27514 3.3897e+05 2023-02-20 03:20:56,950 INFO [main.py:643]
{rank 0/100} MD step = 197900 step time: 00:00:00.018007 Performance: 500.728 ns/day 0.048 hours/ns 28.977 steps/s 2023-02-20 03:20:58,210 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 59.21 -33550 6489.5 -40040 -40040 5.7719 4.3247 -0.27618 3.3917e+05 2023-02-20 03:21:00,089 INFO [main.py:643]
{rank 0/100} MD step = 198000 step time: 00:00:00.018007 Performance: 500.751 ns/day 0.048 hours/ns 28.979 steps/s 2023-02-20 03:21:01,557 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 198000 39600 60.573 -33418 6638.9 -40057 -40057 5.7784 4.3245 -0.27827 3.3936e+05 2023-02-20 03:21:03,389 INFO [main.py:643]
{rank 0/100} MD step = 198100 step time: 00:00:00.018184 Performance: 500.762 ns/day 0.048 hours/ns 28.979 steps/s 2023-02-20 03:21:04,673 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 198100 39620 60.531 -33532 6634.3 -40166 -40166 5.7859 4.3251 -0.27646 3.3952e+05 2023-02-20 03:21:06,638 INFO [main.py:643]
{rank 0/100} MD step = 198200 step time: 00:00:00.018595 Performance: 500.777 ns/day 0.048 hours/ns 28.980 steps/s 2023-02-20 03:21:07,947 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 60.255 -33452 6604 -40056 -40056 5.7902 4.3261 -0.27739 3.3968e+05 2023-02-20 03:21:09,765 INFO [main.py:643]
{rank 0/100} MD step = 198300 step time: 00:00:00.018614 Performance: 500.801 ns/day 0.048 hours/ns 28.982 steps/s 2023-02-20 03:21:11,134 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 60.168 -33474 6594.5 -40069 -40069 5.7951 4.3276 -0.27706 3.3984e+05 2023-02-20 03:21:13,037 INFO [main.py:643]
{rank 0/100} MD step = 198400 step time: 00:00:00.018214 Performance: 500.814 ns/day 0.048 hours/ns 28.982 steps/s 2023-02-20 03:21:14,577 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 61.306 -33256 6719.2 -39975 -39975 5.7995 4.328 -0.27784 3.4003e+05 2023-02-20 03:21:16,812 INFO [main.py:643]
{rank 0/100} MD step = 198500 step time: 00:00:00.018014 Performance: 500.790 ns/day 0.048 hours/ns 28.981 steps/s 2023-02-20 03:21:17,795 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 59.562 -33636 6528 -40164 -40164 5.8053 4.3287 -0.27577 3.402e+05 2023-02-20 03:21:19,965 INFO [main.py:643]
{rank 0/100} MD step = 198600 step time: 00:00:00.018444 Performance: 500.812 ns/day 0.048 hours/ns 28.982 steps/s 2023-02-20 03:21:21,690 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 59.931 -33587 6568.5 -40155 -40155 5.8105 4.3281 -0.27659 3.4036e+05 2023-02-20 03:21:23,555 INFO [main.py:643]
{rank 0/100} MD step = 198700 step time: 00:00:00.018032 Performance: 500.802 ns/day 0.048 hours/ns 28.982 steps/s 2023-02-20 03:21:25,098 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 59.906 -33571 6565.8 -40137 -40137 5.8133 4.3291 -0.27815 3.4054e+05 2023-02-20 03:21:26,911 INFO [main.py:643]
{rank 0/100} MD step = 198800 step time: 00:00:00.018255 Performance: 500.808 ns/day 0.048 hours/ns 28.982 steps/s 2023-02-20 03:21:28,626 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 60.046 -33527 6581.1 -40108 -40108 5.8184 4.3294 -0.27689 3.407e+05 2023-02-20 03:21:30,465 INFO [main.py:643]
{rank 0/100} MD step = 198900 step time: 00:00:00.018047 Performance: 500.801 ns/day 0.048 hours/ns 28.982 steps/s 2023-02-20 03:21:31,740 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 58.915 -33621 6457.1 -40078 -40078 5.8232 4.3291 -0.27567 3.4087e+05 2023-02-20 03:21:33,648 INFO [main.py:643]
{rank 0/100} MD step = 199000 step time: 00:00:00.017915 Performance: 500.820 ns/day 0.048 hours/ns 28.983 steps/s 2023-02-20 03:21:34,907 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 59.194 -33622 6487.7 -40110 -40110 5.8281 4.3304 -0.27611 3.4103e+05 2023-02-20 03:21:36,891 INFO [main.py:643]
{rank 0/100} MD step = 199100 step time: 00:00:00.018047 Performance: 500.835 ns/day 0.048 hours/ns 28.984 steps/s 2023-02-20 03:21:37,817 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 59.376 -33566 6507.7 -40074 -40074 5.833 4.331 -0.27573 3.4122e+05 2023-02-20 03:21:40,531 INFO [main.py:643]
{rank 0/100} MD step = 199200 step time: 00:00:00.018088 Performance: 500.822 ns/day 0.048 hours/ns 28.983 steps/s 2023-02-20 03:21:41,845 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 199200 39840 60.864 -33628 6670.7 -40298 -40298 5.8386 4.3318 -0.27476 3.4135e+05 2023-02-20 03:21:43,680 INFO [main.py:643]
{rank 0/100} MD step = 199300 step time: 00:00:00.018554 Performance: 500.844 ns/day 0.048 hours/ns 28.984 steps/s 2023-02-20 03:21:44,962 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 59.778 -33485 6551.8 -40037 -40037 5.8399 4.3329 -0.27479 3.4158e+05 2023-02-20 03:21:46,885 INFO [main.py:643]
{rank 0/100} MD step = 199400 step time: 00:00:00.018147 Performance: 500.861 ns/day 0.048 hours/ns 28.985 steps/s 2023-02-20 03:21:48,119 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 59.406 -33608 6511 -40119 -40119 5.8432 4.3349 -0.27434 3.4175e+05 2023-02-20 03:21:50,016 INFO [main.py:643]
{rank 0/100} MD step = 199500 step time: 00:00:00.018006 Performance: 500.885 ns/day 0.048 hours/ns 28.986 steps/s 2023-02-20 03:21:51,270 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 59.526 -33712 6524.1 -40236 -40236 5.8457 4.3366 -0.27442 3.4188e+05 2023-02-20 03:21:53,214 INFO [main.py:643]
{rank 0/100} MD step = 199600 step time: 00:00:00.018136 Performance: 500.903 ns/day 0.048 hours/ns 28.987 steps/s 2023-02-20 03:21:54,454 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 199600 39920 60.425 -33562 6622.6 -40185 -40185 5.8512 4.337 -0.27397 3.4202e+05 2023-02-20 03:21:56,396 INFO [main.py:643]
{rank 0/100} MD step = 199700 step time: 00:00:00.018181 Performance: 500.922 ns/day 0.048 hours/ns 28.989 steps/s 2023-02-20 03:21:57,597 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 60.374 -33536 6617.1 -40153 -40153 5.8555 4.3369 -0.27237 3.4223e+05 2023-02-20 03:21:59,487 INFO [main.py:643]
{rank 0/100} MD step = 199800 step time: 00:00:00.018142 Performance: 500.949 ns/day 0.048 hours/ns 28.990 steps/s 2023-02-20 03:22:00,674 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 199800 39960 59.614 -33610 6533.8 -40144 -40144 5.8599 4.3383 -0.27167 3.4241e+05 2023-02-20 03:22:02,655 INFO [main.py:643]
{rank 0/100} MD step = 199900 step time: 00:00:00.018362 Performance: 500.969 ns/day 0.048 hours/ns 28.991 steps/s 2023-02-20 03:22:03,990 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 59.994 -33511 6575.4 -40086 -40086 5.8633 4.339 -0.27216 3.4257e+05 2023-02-20 03:22:05,808 INFO [main.py:643]
{rank 0/100} MD step = 200000 step time: 00:00:00.018266 Performance: 500.990 ns/day 0.048 hours/ns 28.993 steps/s 2023-02-20 03:22:07,053 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 59.768 -33494 6550.6 -40044 -40044 5.8677 4.34 -0.27242 3.4271e+05 2023-02-20 03:22:09,011 INFO [main.py:643]
{rank 0/100} MD step = 200100 step time: 00:00:00.017965 Performance: 501.008 ns/day 0.048 hours/ns 28.994 steps/s 2023-02-20 03:22:10,170 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 60.656 -33479 6647.9 -40127 -40127 5.8699 4.3403 -0.27177 3.4288e+05 2023-02-20 03:22:12,109 INFO [main.py:643]
{rank 0/100} MD step = 200200 step time: 00:00:00.017988 Performance: 501.034 ns/day 0.048 hours/ns 28.995 steps/s 2023-02-20 03:22:13,712 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 200200 40040 60.661 -33555 6648.5 -40203 -40203 5.8721 4.342 -0.27224 3.4305e+05 2023-02-20 03:22:15,698 INFO [main.py:643]
{rank 0/100} MD step = 200300 step time: 00:00:00.018118 Performance: 501.024 ns/day 0.048 hours/ns 28.994 steps/s 2023-02-20 03:22:16,777 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 60.639 -33634 6646.2 -40280 -40280 5.8785 4.3424 -0.27083 3.4322e+05 2023-02-20 03:22:18,801 INFO [main.py:643]
{rank 0/100} MD step = 200400 step time: 00:00:00.018092 Performance: 501.049 ns/day 0.048 hours/ns 28.996 steps/s 2023-02-20 03:22:20,054 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 200400 40080 59.531 -33663 6524.6 -40187 -40187 5.8836 4.3421 -0.26948 3.4342e+05 2023-02-20 03:22:21,908 INFO [main.py:643]
{rank 0/100} MD step = 200500 step time: 00:00:00.018127 Performance: 501.074 ns/day 0.048 hours/ns 28.997 steps/s 2023-02-20 03:22:23,244 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 60.551 -33417 6636.4 -40053 -40053 5.8892 4.3427 -0.26876 3.436e+05 2023-02-20 03:22:25,116 INFO [main.py:643]
{rank 0/100} MD step = 200600 step time: 00:00:00.019936 Performance: 501.091 ns/day 0.048 hours/ns 28.998 steps/s 2023-02-20 03:22:26,189 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 60.129 -33471 6590.2 -40062 -40062 5.893 4.3436 -0.26823 3.438e+05 2023-02-20 03:22:28,265 INFO [main.py:643]
{rank 0/100} MD step = 200700 step time: 00:00:00.018461 Performance: 501.113 ns/day 0.048 hours/ns 29.000 steps/s 2023-02-20 03:22:29,890 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 59.807 -33570 6554.9 -40125 -40125 5.8984 4.3442 -0.27 3.4395e+05 2023-02-20 03:22:31,822 INFO [main.py:643]
{rank 0/100} MD step = 200800 step time: 00:00:00.018119 Performance: 501.105 ns/day 0.048 hours/ns 28.999 steps/s 2023-02-20 03:22:33,077 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 60.146 -33530 6592 -40122 -40122 5.9001 4.3451 -0.26923 3.4413e+05 2023-02-20 03:22:35,004 INFO [main.py:643]
{rank 0/100} MD step = 200900 step time: 00:00:00.018347 Performance: 501.124 ns/day 0.048 hours/ns 29.000 steps/s 2023-02-20 03:22:36,303 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 60.614 -33317 6643.4 -39960 -39960 5.9034 4.3464 -0.27 3.4435e+05 2023-02-20 03:22:38,231 INFO [main.py:643]
{rank 0/100} MD step = 201000 step time: 00:00:00.018344 Performance: 501.140 ns/day 0.048 hours/ns 29.001 steps/s 2023-02-20 03:22:39,592 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 60.716 -33563 6654.5 -40218 -40218 5.9076 4.3494 -0.27143 3.4448e+05 2023-02-20 03:22:41,443 INFO [main.py:643]
{rank 0/100} MD step = 201100 step time: 00:00:00.018060 Performance: 501.157 ns/day 0.048 hours/ns 29.002 steps/s 2023-02-20 03:22:42,657 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 59.038 -33711 6470.7 -40181 -40181 5.912 4.3506 -0.27219 3.4466e+05 2023-02-20 03:22:44,532 INFO [main.py:643]
{rank 0/100} MD step = 201200 step time: 00:00:00.018168 Performance: 501.183 ns/day 0.048 hours/ns 29.004 steps/s 2023-02-20 03:22:45,714 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 60.142 -33514 6591.7 -40106 -40106 5.9168 4.3521 -0.27333 3.4487e+05 2023-02-20 03:22:47,767 INFO [main.py:643]
{rank 0/100} MD step = 201300 step time: 00:00:00.018126 Performance: 501.198 ns/day 0.048 hours/ns 29.005 steps/s 2023-02-20 03:22:49,072 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 201300 40260 60.295 -33534 6608.4 -40142 -40142 5.9206 4.3525 -0.27418 3.4501e+05 2023-02-20 03:22:51,016 INFO [main.py:643]
{rank 0/100} MD step = 201400 step time: 00:00:00.018881 Performance: 501.213 ns/day 0.048 hours/ns 29.005 steps/s 2023-02-20 03:22:52,459 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 60.241 -33481 6602.5 -40084 -40084 5.9258 4.3543 -0.27303 3.4522e+05 2023-02-20 03:22:54,393 INFO [main.py:643]
{rank 0/100} MD step = 201500 step time: 00:00:00.018109 Performance: 501.218 ns/day 0.048 hours/ns 29.006 steps/s 2023-02-20 03:22:55,636 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 60.204 -33568 6598.4 -40167 -40167 5.93 4.3545 -0.27248 3.4536e+05 2023-02-20 03:22:57,624 INFO [main.py:643]
{rank 0/100} MD step = 201600 step time: 00:00:00.017957 Performance: 501.233 ns/day 0.048 hours/ns 29.007 steps/s 2023-02-20 03:22:58,797 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 59.577 -33717 6529.7 -40246 -40246 5.9316 4.3559 -0.27295 3.4551e+05 2023-02-20 03:23:00,757 INFO [main.py:643]
{rank 0/100} MD step = 201700 step time: 00:00:00.018416 Performance: 501.256 ns/day 0.048 hours/ns 29.008 steps/s 2023-02-20 03:23:02,004 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 201700 40340 59.71 -33609 6544.3 -40153 -40153 5.934 4.3571 -0.27422 3.457e+05 2023-02-20 03:23:03,962 INFO [main.py:643]
{rank 0/100} MD step = 201800 step time: 00:00:00.018034 Performance: 501.274 ns/day 0.048 hours/ns 29.009 steps/s 2023-02-20 03:23:05,184 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 59.838 -33482 6558.4 -40041 -40041 5.9369 4.358 -0.27396 3.4589e+05 2023-02-20 03:23:07,077 INFO [main.py:643]
{rank 0/100} MD step = 201900 step time: 00:00:00.018112 Performance: 501.298 ns/day 0.048 hours/ns 29.010 steps/s 2023-02-20 03:23:08,423 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 59.612 -33524 6533.5 -40057 -40057 5.9408 4.3584 -0.27419 3.4607e+05 2023-02-20 03:23:10,236 INFO [main.py:643]
{rank 0/100} MD step = 202000 step time: 00:00:00.018069 Performance: 501.318 ns/day 0.048 hours/ns 29.011 steps/s 2023-02-20 03:23:11,464 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 202000 40400 59.375 -33485 6507.5 -39992 -39992 5.9408 4.3586 -0.27249 3.4626e+05 2023-02-20 03:23:13,396 INFO [main.py:643]
{rank 0/100} MD step = 202100 step time: 00:00:00.018131 Performance: 501.339 ns/day 0.048 hours/ns 29.013 steps/s 2023-02-20 03:23:14,678 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 60.136 -33553 6591 -40144 -40144 5.9422 4.3604 -0.27168 3.464e+05 2023-02-20 03:23:16,530 INFO [main.py:643]
{rank 0/100} MD step = 202200 step time: 00:00:00.018144 Performance: 501.361 ns/day 0.048 hours/ns 29.014 steps/s 2023-02-20 03:23:17,781 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 59.817 -33573 6556 -40129 -40129 5.9454 4.3636 -0.27124 3.4654e+05 2023-02-20 03:23:19,674 INFO [main.py:643]
{rank 0/100} MD step = 202300 step time: 00:00:00.018089 Performance: 501.383 ns/day 0.048 hours/ns 29.015 steps/s 2023-02-20 03:23:20,877 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 60.889 -33446 6673.5 -40119 -40119 5.9512 4.3638 -0.27204 3.4672e+05 2023-02-20 03:23:22,850 INFO [main.py:643]
{rank 0/100} MD step = 202400 step time: 00:00:00.018032 Performance: 501.403 ns/day 0.048 hours/ns 29.016 steps/s 2023-02-20 03:23:24,165 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 59.821 -33605 6556.5 -40162 -40162 5.9558 4.3664 -0.27163 3.4689e+05 2023-02-20 03:23:25,978 INFO [main.py:643]
{rank 0/100} MD step = 202500 step time: 00:00:00.018061 Performance: 501.425 ns/day 0.048 hours/ns 29.018 steps/s 2023-02-20 03:23:27,222 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 60.663 -33339 6648.8 -39988 -39988 5.9609 4.3672 -0.27236 3.4708e+05 2023-02-20 03:23:29,054 INFO [main.py:643]
{rank 0/100} MD step = 202600 step time: 00:00:00.018132 Performance: 501.452 ns/day 0.048 hours/ns 29.019 steps/s 2023-02-20 03:23:30,437 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 59.679 -33569 6540.9 -40110 -40110 5.9641 4.3663 -0.27426 3.4721e+05 2023-02-20 03:23:32,267 INFO [main.py:643]
{rank 0/100} MD step = 202700 step time: 00:00:00.018071 Performance: 501.469 ns/day 0.048 hours/ns 29.020 steps/s 2023-02-20 03:23:34,019 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 60.375 -33441 6617.2 -40058 -40058 5.9658 4.3661 -0.27385 3.474e+05 2023-02-20 03:23:36,004 INFO [main.py:643]
{rank 0/100} MD step = 202800 step time: 00:00:00.018000 Performance: 501.448 ns/day 0.048 hours/ns 29.019 steps/s 2023-02-20 03:23:37,268 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 59.56 -33578 6527.8 -40106 -40106 5.9687 4.3665 -0.27362 3.4754e+05 2023-02-20 03:23:39,195 INFO [main.py:643]
{rank 0/100} MD step = 202900 step time: 00:00:00.018137 Performance: 501.466 ns/day 0.048 hours/ns 29.020 steps/s 2023-02-20 03:23:40,414 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 59.167 -33649 6484.8 -40133 -40133 5.9718 4.3668 -0.27503 3.4771e+05 2023-02-20 03:23:42,324 INFO [main.py:643]
{rank 0/100} MD step = 203000 step time: 00:00:00.018366 Performance: 501.489 ns/day 0.048 hours/ns 29.021 steps/s 2023-02-20 03:23:43,476 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 60.37 -33570 6616.6 -40186 -40186 5.9768 4.3682 -0.27608 3.4789e+05 2023-02-20 03:23:45,447 INFO [main.py:643]
{rank 0/100} MD step = 203100 step time: 00:00:00.018049 Performance: 501.512 ns/day 0.048 hours/ns 29.023 steps/s 2023-02-20 03:23:46,709 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 59.956 -33632 6571.2 -40203 -40203 5.9822 4.3702 -0.27638 3.4805e+05 2023-02-20 03:23:48,570 INFO [main.py:643]
{rank 0/100} MD step = 203200 step time: 00:00:00.018037 Performance: 501.535 ns/day 0.048 hours/ns 29.024 steps/s 2023-02-20 03:23:49,787 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 60.741 -33424 6657.3 -40081 -40081 5.9871 4.372 -0.27556 3.4825e+05 2023-02-20 03:23:51,710 INFO [main.py:643]
{rank 0/100} MD step = 203300 step time: 00:00:00.017958 Performance: 501.557 ns/day 0.048 hours/ns 29.025 steps/s 2023-02-20 03:23:53,070 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 60.242 -33516 6602.6 -40119 -40119 5.9904 4.3722 -0.27681 3.484e+05 2023-02-20 03:23:55,017 INFO [main.py:643]
{rank 0/100} MD step = 203400 step time: 00:00:00.018066 Performance: 501.567 ns/day 0.048 hours/ns 29.026 steps/s 2023-02-20 03:24:03,304 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 60.267 -33501 6605.4 -40106 -40106 5.9957 4.3726 -0.27609 3.4855e+05 2023-02-20 03:24:05,141 INFO [main.py:643]
{rank 0/100} MD step = 203500 step time: 00:00:00.018057 Performance: 501.090 ns/day 0.048 hours/ns 28.998 steps/s 2023-02-20 03:24:06,480 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 59.542 -33620 6525.9 -40146 -40146 5.9997 4.3733 -0.27624 3.4871e+05 2023-02-20 03:24:08,314 INFO [main.py:643]
{rank 0/100} MD step = 203600 step time: 00:00:00.018114 Performance: 501.109 ns/day 0.048 hours/ns 28.999 steps/s 2023-02-20 03:24:10,595 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 59.689 -33671 6542 -40213 -40213 6.0043 4.3731 -0.27893 3.4889e+05 2023-02-20 03:24:12,557 INFO [main.py:643]
{rank 0/100} MD step = 203700 step time: 00:00:00.017978 Performance: 501.053 ns/day 0.048 hours/ns 28.996 steps/s 2023-02-20 03:24:13,770 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 59.265 -33537 6495.5 -40033 -40033 6.0056 4.3752 -0.27937 3.4907e+05 2023-02-20 03:24:15,738 INFO [main.py:643]
{rank 0/100} MD step = 203800 step time: 00:00:00.018144 Performance: 501.072 ns/day 0.048 hours/ns 28.997 steps/s 2023-02-20 03:24:16,976 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 59.796 -33539 6553.7 -40093 -40093 6.0092 4.3762 -0.27998 3.492e+05 2023-02-20 03:24:18,912 INFO [main.py:643]
{rank 0/100} MD step = 203900 step time: 00:00:00.018923 Performance: 501.091 ns/day 0.048 hours/ns 28.998 steps/s 2023-02-20 03:24:20,176 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 60.021 -33431 6578.4 -40010 -40010 6.0132 4.3779 -0.27862 3.4939e+05 2023-02-20 03:24:22,096 INFO [main.py:643]
{rank 0/100} MD step = 204000 step time: 00:00:00.018060 Performance: 501.110 ns/day 0.048 hours/ns 28.999 steps/s 2023-02-20 03:24:23,416 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 59.586 -33507 6530.7 -40037 -40037 6.0168 4.3783 -0.27883 3.4955e+05 2023-02-20 03:24:25,313 INFO [main.py:643]
{rank 0/100} MD step = 204100 step time: 00:00:00.018445 Performance: 501.127 ns/day 0.048 hours/ns 29.000 steps/s 2023-02-20 03:24:27,262 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 60.809 -33347 6664.8 -40012 -40012 6.0208 4.3793 -0.27758 3.4969e+05 2023-02-20 03:24:29,122 INFO [main.py:643]
{rank 0/100} MD step = 204200 step time: 00:00:00.018092 Performance: 501.101 ns/day 0.048 hours/ns 28.999 steps/s 2023-02-20 03:24:30,336 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 60.68 -33531 6650.6 -40182 -40182 6.0235 4.3806 -0.27655 3.4986e+05 2023-02-20 03:24:32,234 INFO [main.py:643]
{rank 0/100} MD step = 204300 step time: 00:00:00.017943 Performance: 501.125 ns/day 0.048 hours/ns 29.000 steps/s 2023-02-20 03:24:33,489 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 59.509 -33637 6522.3 -40159 -40159 6.027 4.3823 -0.27713 3.5002e+05 2023-02-20 03:24:35,397 INFO [main.py:643]
{rank 0/100} MD step = 204400 step time: 00:00:00.018401 Performance: 501.145 ns/day 0.048 hours/ns 29.001 steps/s 2023-02-20 03:24:36,605 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 59.313 -33634 6500.8 -40134 -40134 6.0321 4.3856 -0.27576 3.502e+05 2023-02-20 03:24:38,534 INFO [main.py:643]
{rank 0/100} MD step = 204500 step time: 00:00:00.018106 Performance: 501.167 ns/day 0.048 hours/ns 29.003 steps/s 2023-02-20 03:24:39,768 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 59.292 -33523 6498.4 -40021 -40021 6.0348 4.3876 -0.27608 3.504e+05 2023-02-20 03:24:41,731 INFO [main.py:643]
{rank 0/100} MD step = 204600 step time: 00:00:00.018235 Performance: 501.185 ns/day 0.048 hours/ns 29.004 steps/s 2023-02-20 03:24:43,013 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 59.918 -33592 6567 -40159 -40159 6.0387 4.3905 -0.27634 3.5052e+05 2023-02-20 03:24:44,879 INFO [main.py:643]
{rank 0/100} MD step = 204700 step time: 00:00:00.018161 Performance: 501.206 ns/day 0.048 hours/ns 29.005 steps/s 2023-02-20 03:24:46,207 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 60.241 -33528 6602.4 -40131 -40131 6.0438 4.3943 -0.27541 3.5071e+05 2023-02-20 03:24:48,051 INFO [main.py:643]
{rank 0/100} MD step = 204800 step time: 00:00:00.018164 Performance: 501.226 ns/day 0.048 hours/ns 29.006 steps/s 2023-02-20 03:24:49,239 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 60.784 -33385 6662 -40047 -40047 6.0473 4.3944 -0.27301 3.5088e+05 2023-02-20 03:24:51,216 INFO [main.py:643]
{rank 0/100} MD step = 204900 step time: 00:00:00.018854 Performance: 501.246 ns/day 0.048 hours/ns 29.007 steps/s 2023-02-20 03:24:52,417 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 60.069 -33403 6583.6 -39987 -39987 6.0509 4.3958 -0.27379 3.5103e+05 2023-02-20 03:24:54,317 INFO [main.py:643]
{rank 0/100} MD step = 205000 step time: 00:00:00.018629 Performance: 501.270 ns/day 0.048 hours/ns 29.009 steps/s 2023-02-20 03:24:55,617 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 205000 41000 60.493 -33535 6630.1 -40165 -40165 6.0572 4.3971 -0.27361 3.5119e+05 2023-02-20 03:24:57,421 INFO [main.py:643]
{rank 0/100} MD step = 205100 step time: 00:00:00.018138 Performance: 501.295 ns/day 0.048 hours/ns 29.010 steps/s 2023-02-20 03:24:58,690 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 60.468 -33609 6627.3 -40237 -40237 6.061 4.3971 -0.27265 3.5134e+05 2023-02-20 03:25:00,561 INFO [main.py:643]
{rank 0/100} MD step = 205200 step time: 00:00:00.017992 Performance: 501.317 ns/day 0.048 hours/ns 29.011 steps/s 2023-02-20 03:25:01,840 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 59.713 -33614 6544.7 -40158 -40158 6.0626 4.399 -0.27468 3.5148e+05 2023-02-20 03:25:03,715 INFO [main.py:643]
{rank 0/100} MD step = 205300 step time: 00:00:00.018181 Performance: 501.337 ns/day 0.048 hours/ns 29.013 steps/s 2023-02-20 03:25:04,973 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 59.184 -33586 6486.7 -40073 -40073 6.0682 4.3986 -0.27466 3.517e+05 2023-02-20 03:25:06,824 INFO [main.py:643]
{rank 0/100} MD step = 205400 step time: 00:00:00.017884 Performance: 501.361 ns/day 0.048 hours/ns 29.014 steps/s 2023-02-20 03:25:08,077 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 59.834 -33450 6557.8 -40008 -40008 6.0742 4.3987 -0.27474 3.5189e+05 2023-02-20 03:25:09,957 INFO [main.py:643]
{rank 0/100} MD step = 205500 step time: 00:00:00.018213 Performance: 501.383 ns/day 0.048 hours/ns 29.015 steps/s 2023-02-20 03:25:11,282 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 59.426 -33630 6513.1 -40143 -40143 6.0775 4.3996 -0.27456 3.5205e+05 2023-02-20 03:25:13,102 INFO [main.py:643]
{rank 0/100} MD step = 205600 step time: 00:00:00.018105 Performance: 501.405 ns/day 0.048 hours/ns 29.016 steps/s 2023-02-20 03:25:14,274 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 59.791 -33541 6553.1 -40094 -40094 6.0812 4.4015 -0.27645 3.5223e+05 2023-02-20 03:25:16,259 INFO [main.py:643]
{rank 0/100} MD step = 205700 step time: 00:00:00.018235 Performance: 501.425 ns/day 0.048 hours/ns 29.018 steps/s 2023-02-20 03:25:17,450 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 59.365 -33608 6506.5 -40114 -40114 6.0828 4.4008 -0.27621 3.5239e+05 2023-02-20 03:25:19,426 INFO [main.py:643]
{rank 0/100} MD step = 205800 step time: 00:00:00.018247 Performance: 501.445 ns/day 0.048 hours/ns 29.019 steps/s 2023-02-20 03:25:20,653 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 60.804 -33463 6664.2 -40128 -40128 6.0867 4.4023 -0.27636 3.5256e+05 2023-02-20 03:25:22,636 INFO [main.py:643]
{rank 0/100} MD step = 205900 step time: 00:00:00.018116 Performance: 501.462 ns/day 0.048 hours/ns 29.020 steps/s 2023-02-20 03:25:23,801 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 205900 41180 60.458 -33468 6626.3 -40094 -40094 6.0898 4.4042 -0.27422 3.5269e+05 2023-02-20 03:25:25,745 INFO [main.py:643]
{rank 0/100} MD step = 206000 step time: 00:00:00.018018 Performance: 501.485 ns/day 0.048 hours/ns 29.021 steps/s 2023-02-20 03:25:26,934 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 59.964 -33489 6572.1 -40061 -40061 6.0913 4.4056 -0.27292 3.5288e+05 2023-02-20 03:25:28,875 INFO [main.py:643]
{rank 0/100} MD step = 206100 step time: 00:00:00.018245 Performance: 501.508 ns/day 0.048 hours/ns 29.022 steps/s 2023-02-20 03:25:30,030 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 60.321 -33536 6611.2 -40148 -40148 6.0961 4.4075 -0.27503 3.5304e+05 2023-02-20 03:25:32,033 INFO [main.py:643]
{rank 0/100} MD step = 206200 step time: 00:00:00.018076 Performance: 501.528 ns/day 0.048 hours/ns 29.024 steps/s 2023-02-20 03:25:33,277 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 60.054 -33447 6582 -40029 -40029 6.0972 4.4102 -0.27367 3.5321e+05 2023-02-20 03:25:35,200 INFO [main.py:643]
{rank 0/100} MD step = 206300 step time: 00:00:00.017981 Performance: 501.548 ns/day 0.048 hours/ns 29.025 steps/s 2023-02-20 03:25:36,487 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 206300 41260 60.114 -33522 6588.6 -40110 -40110 6.1011 4.411 -0.27509 3.5337e+05 2023-02-20 03:25:38,355 INFO [main.py:643]
{rank 0/100} MD step = 206400 step time: 00:00:00.018040 Performance: 501.568 ns/day 0.048 hours/ns 29.026 steps/s 2023-02-20 03:25:39,501 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 58.897 -33702 6455.2 -40157 -40157 6.1072 4.4134 -0.27567 3.5356e+05 2023-02-20 03:25:41,465 INFO [main.py:643]
{rank 0/100} MD step = 206500 step time: 00:00:00.017990 Performance: 501.592 ns/day 0.048 hours/ns 29.027 steps/s 2023-02-20 03:25:42,759 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 206500 41300 60.204 -33525 6598.4 -40123 -40123 6.1116 4.4136 -0.27339 3.5373e+05 2023-02-20 03:25:44,614 INFO [main.py:643]
{rank 0/100} MD step = 206600 step time: 00:00:00.018444 Performance: 501.613 ns/day 0.048 hours/ns 29.029 steps/s 2023-02-20 03:25:45,893 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 59.465 -33550 6517.4 -40067 -40067 6.117 4.4143 -0.2745 3.5393e+05 2023-02-20 03:25:47,698 INFO [main.py:643]
{rank 0/100} MD step = 206700 step time: 00:00:00.017932 Performance: 501.638 ns/day 0.048 hours/ns 29.030 steps/s 2023-02-20 03:25:48,850 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 59.356 -33553 6505.5 -40058 -40058 6.121 4.4162 -0.27482 3.5411e+05 2023-02-20 03:25:50,811 INFO [main.py:643]
{rank 0/100} MD step = 206800 step time: 00:00:00.018003 Performance: 501.661 ns/day 0.048 hours/ns 29.031 steps/s 2023-02-20 03:25:51,935 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 206800 41360 60.514 -33465 6632.4 -40098 -40098 6.1226 4.4188 -0.27503 3.5426e+05 2023-02-20 03:25:53,965 INFO [main.py:643]
{rank 0/100} MD step = 206900 step time: 00:00:00.018078 Performance: 501.682 ns/day 0.048 hours/ns 29.033 steps/s 2023-02-20 03:25:55,139 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 59.485 -33594 6519.6 -40113 -40113 6.1252 4.4208 -0.27642 3.5444e+05 2023-02-20 03:25:57,093 INFO [main.py:643]
{rank 0/100} MD step = 207000 step time: 00:00:00.018056 Performance: 501.704 ns/day 0.048 hours/ns 29.034 steps/s 2023-02-20 03:25:58,276 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 59.864 -33522 6561.2 -40083 -40083 6.1292 4.4228 -0.27634 3.5462e+05 2023-02-20 03:26:00,292 INFO [main.py:643]
{rank 0/100} MD step = 207100 step time: 00:00:00.018076 Performance: 501.721 ns/day 0.048 hours/ns 29.035 steps/s 2023-02-20 03:26:01,516 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 60.158 -33554 6593.3 -40147 -40147 6.1319 4.4219 -0.27798 3.5478e+05 2023-02-20 03:26:03,436 INFO [main.py:643]
{rank 0/100} MD step = 207200 step time: 00:00:00.018182 Performance: 501.743 ns/day 0.048 hours/ns 29.036 steps/s 2023-02-20 03:26:04,671 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 60.728 -33482 6655.9 -40138 -40138 6.1368 4.4257 -0.27763 3.5494e+05 2023-02-20 03:26:06,808 INFO [main.py:643]
{rank 0/100} MD step = 207300 step time: 00:00:00.018148 Performance: 501.748 ns/day 0.048 hours/ns 29.036 steps/s 2023-02-20 03:26:08,313 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 59.998 -33625 6575.9 -40201 -40201 6.1421 4.4278 -0.27882 3.5512e+05 2023-02-20 03:26:10,530 INFO [main.py:643]
{rank 0/100} MD step = 207400 step time: 00:00:00.023563 Performance: 501.728 ns/day 0.048 hours/ns 29.035 steps/s 2023-02-20 03:26:11,866 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 59.779 -33574 6551.9 -40126 -40126 6.146 4.4296 -0.28122 3.5533e+05 2023-02-20 03:26:13,834 INFO [main.py:643]
{rank 0/100} MD step = 207500 step time: 00:00:00.017966 Performance: 501.738 ns/day 0.048 hours/ns 29.036 steps/s 2023-02-20 03:26:15,098 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 59.963 -33515 6572 -40087 -40087 6.1505 4.4311 -0.28215 3.555e+05 2023-02-20 03:26:16,959 INFO [main.py:643]
{rank 0/100} MD step = 207600 step time: 00:00:00.018263 Performance: 501.760 ns/day 0.048 hours/ns 29.037 steps/s 2023-02-20 03:26:18,496 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 60.002 -33626 6576.3 -40202 -40202 6.1552 4.4339 -0.28253 3.5567e+05 2023-02-20 03:26:20,476 INFO [main.py:643]
{rank 0/100} MD step = 207700 step time: 00:00:00.018165 Performance: 501.755 ns/day 0.048 hours/ns 29.037 steps/s 2023-02-20 03:26:21,717 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 60.438 -33464 6624.1 -40088 -40088 6.1576 4.4361 -0.2827 3.5585e+05 2023-02-20 03:26:23,627 INFO [main.py:643]
{rank 0/100} MD step = 207800 step time: 00:00:00.017879 Performance: 501.776 ns/day 0.048 hours/ns 29.038 steps/s 2023-02-20 03:26:24,849 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 60.221 -33568 6600.3 -40169 -40169 6.1615 4.4363 -0.28287 3.5598e+05 2023-02-20 03:26:26,780 INFO [main.py:643]
{rank 0/100} MD step = 207900 step time: 00:00:00.018004 Performance: 501.796 ns/day 0.048 hours/ns 29.039 steps/s 2023-02-20 03:26:28,009 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 60.409 -33429 6620.9 -40049 -40049 6.1636 4.4368 -0.28455 3.5621e+05 2023-02-20 03:26:30,034 INFO [main.py:643]
{rank 0/100} MD step = 208000 step time: 00:00:00.018199 Performance: 501.809 ns/day 0.048 hours/ns 29.040 steps/s 2023-02-20 03:26:31,349 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 208000 41600 59.168 -33658 6484.9 -40143 -40143 6.1674 4.4367 -0.28348 3.5635e+05 2023-02-20 03:26:33,215 INFO [main.py:643]
{rank 0/100} MD step = 208100 step time: 00:00:00.017887 Performance: 501.828 ns/day 0.048 hours/ns 29.041 steps/s 2023-02-20 03:26:34,374 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 60.912 -33460 6676 -40136 -40136 6.1724 4.4376 -0.28349 3.5656e+05 2023-02-20 03:26:36,377 INFO [main.py:643]
{rank 0/100} MD step = 208200 step time: 00:00:00.017976 Performance: 501.847 ns/day 0.048 hours/ns 29.042 steps/s 2023-02-20 03:26:37,584 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 59.762 -33601 6550 -40151 -40151 6.1759 4.4367 -0.28285 3.5673e+05 2023-02-20 03:26:39,500 INFO [main.py:643]
{rank 0/100} MD step = 208300 step time: 00:00:00.017792 Performance: 501.870 ns/day 0.048 hours/ns 29.043 steps/s 2023-02-20 03:26:40,813 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 208300 41660 60.213 -33500 6599.5 -40099 -40099 6.1794 4.4379 -0.28169 3.569e+05 2023-02-20 03:26:42,646 INFO [main.py:643]
{rank 0/100} MD step = 208400 step time: 00:00:00.018009 Performance: 501.891 ns/day 0.048 hours/ns 29.045 steps/s 2023-02-20 03:26:43,839 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 59.977 -33460 6573.6 -40033 -40033 6.183 4.4395 -0.28181 3.5709e+05 2023-02-20 03:26:45,805 INFO [main.py:643]
{rank 0/100} MD step = 208500 step time: 00:00:00.018080 Performance: 501.911 ns/day 0.048 hours/ns 29.046 steps/s 2023-02-20 03:26:47,037 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 60.405 -33362 6620.4 -39983 -39983 6.19 4.4413 -0.28332 3.5725e+05 2023-02-20 03:26:48,894 INFO [main.py:643]
{rank 0/100} MD step = 208600 step time: 00:00:00.018059 Performance: 501.935 ns/day 0.048 hours/ns 29.047 steps/s 2023-02-20 03:26:50,157 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 60.522 -33555 6633.2 -40189 -40189 6.1933 4.4416 -0.28438 3.574e+05 2023-02-20 03:26:52,069 INFO [main.py:643]
{rank 0/100} MD step = 208700 step time: 00:00:00.018251 Performance: 501.954 ns/day 0.048 hours/ns 29.048 steps/s 2023-02-20 03:26:53,210 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 208700 41740 60.33 -33689 6612.3 -40301 -40301 6.1971 4.4428 -0.2848 3.5757e+05 2023-02-20 03:26:55,091 INFO [main.py:643]
{rank 0/100} MD step = 208800 step time: 00:00:00.018016 Performance: 501.983 ns/day 0.048 hours/ns 29.050 steps/s 2023-02-20 03:26:56,389 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 59.571 -33626 6529.1 -40155 -40155 6.2005 4.4431 -0.28398 3.5778e+05 2023-02-20 03:26:58,296 INFO [main.py:643]
{rank 0/100} MD step = 208900 step time: 00:00:00.018147 Performance: 502.000 ns/day 0.048 hours/ns 29.051 steps/s 2023-02-20 03:26:59,855 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 60.629 -33440 6645 -40085 -40085 6.2053 4.4445 -0.28586 3.5799e+05 2023-02-20 03:27:01,701 INFO [main.py:643]
{rank 0/100} MD step = 209000 step time: 00:00:00.018074 Performance: 502.002 ns/day 0.048 hours/ns 29.051 steps/s 2023-02-20 03:27:04,092 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 60.408 -33500 6620.8 -40121 -40121 6.2086 4.446 -0.28581 3.5815e+05 2023-02-20 03:27:06,024 INFO [main.py:643]
{rank 0/100} MD step = 209100 step time: 00:00:00.018223 Performance: 501.941 ns/day 0.048 hours/ns 29.048 steps/s 2023-02-20 03:27:07,318 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 59.719 -33617 6545.3 -40162 -40162 6.2124 4.4482 -0.2848 3.5832e+05 2023-02-20 03:27:09,161 INFO [main.py:643]
{rank 0/100} MD step = 209200 step time: 00:00:00.018060 Performance: 501.962 ns/day 0.048 hours/ns 29.049 steps/s 2023-02-20 03:27:10,426 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 60.305 -33482 6609.5 -40091 -40091 6.2156 4.4506 -0.2842 3.5855e+05 2023-02-20 03:27:12,404 INFO [main.py:643]
{rank 0/100} MD step = 209300 step time: 00:00:00.017978 Performance: 501.976 ns/day 0.048 hours/ns 29.050 steps/s 2023-02-20 03:27:14,186 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 59.645 -33568 6537.2 -40105 -40105 6.2187 4.4522 -0.28413 3.587e+05 2023-02-20 03:27:16,082 INFO [main.py:643]
{rank 0/100} MD step = 209400 step time: 00:00:00.018216 Performance: 501.960 ns/day 0.048 hours/ns 29.049 steps/s 2023-02-20 03:27:17,497 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 61.061 -33468 6692.3 -40160 -40160 6.2239 4.4534 -0.28285 3.5886e+05 2023-02-20 03:27:19,355 INFO [main.py:643]
{rank 0/100} MD step = 209500 step time: 00:00:00.018166 Performance: 501.972 ns/day 0.048 hours/ns 29.049 steps/s 2023-02-20 03:27:21,036 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 60.243 -33446 6602.7 -40049 -40049 6.2269 4.4548 -0.28294 3.5904e+05 2023-02-20 03:27:22,936 INFO [main.py:643]
{rank 0/100} MD step = 209600 step time: 00:00:00.017857 Performance: 501.962 ns/day 0.048 hours/ns 29.049 steps/s 2023-02-20 03:27:24,247 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 59.955 -33542 6571.1 -40113 -40113 6.2314 4.4574 -0.28384 3.5921e+05 2023-02-20 03:27:26,070 INFO [main.py:643]
{rank 0/100} MD step = 209700 step time: 00:00:00.018173 Performance: 501.983 ns/day 0.048 hours/ns 29.050 steps/s 2023-02-20 03:27:27,781 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 59.73 -33508 6546.5 -40055 -40055 6.2344 4.4576 -0.2838 3.5939e+05 2023-02-20 03:27:29,669 INFO [main.py:643]
{rank 0/100} MD step = 209800 step time: 00:00:00.018675 Performance: 501.973 ns/day 0.048 hours/ns 29.049 steps/s 2023-02-20 03:27:30,830 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 60.331 -33520 6612.4 -40133 -40133 6.2373 4.4589 -0.28344 3.5956e+05 2023-02-20 03:27:32,759 INFO [main.py:643]
{rank 0/100} MD step = 209900 step time: 00:00:00.018014 Performance: 501.997 ns/day 0.048 hours/ns 29.051 steps/s 2023-02-20 03:27:34,110 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 209900 41980 60.798 -33450 6663.5 -40114 -40114 6.2411 4.4597 -0.28377 3.5973e+05 2023-02-20 03:27:35,975 INFO [main.py:643]
{rank 0/100} MD step = 210000 step time: 00:00:00.018076 Performance: 502.013 ns/day 0.048 hours/ns 29.052 steps/s 2023-02-20 03:27:37,288 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 59.401 -33715 6510.5 -40226 -40226 6.2461 4.4599 -0.28358 3.5987e+05 2023-02-20 03:27:39,109 INFO [main.py:643]
{rank 0/100} MD step = 210100 step time: 00:00:00.018054 Performance: 502.034 ns/day 0.048 hours/ns 29.053 steps/s 2023-02-20 03:27:40,461 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 61.099 -33369 6696.5 -40065 -40065 6.2492 4.4608 -0.28419 3.6006e+05 2023-02-20 03:27:42,273 INFO [main.py:643]
{rank 0/100} MD step = 210200 step time: 00:00:00.018088 Performance: 502.053 ns/day 0.048 hours/ns 29.054 steps/s 2023-02-20 03:27:43,594 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 59.05 -33559 6471.9 -40031 -40031 6.2524 4.4617 -0.28246 3.602e+05 2023-02-20 03:27:45,447 INFO [main.py:643]
{rank 0/100} MD step = 210300 step time: 00:00:00.017933 Performance: 502.072 ns/day 0.048 hours/ns 29.055 steps/s 2023-02-20 03:27:46,602 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 59.274 -33712 6496.5 -40209 -40209 6.2552 4.4639 -0.28068 3.6033e+05 2023-02-20 03:27:48,648 INFO [main.py:643]
{rank 0/100} MD step = 210400 step time: 00:00:00.018585 Performance: 502.089 ns/day 0.048 hours/ns 29.056 steps/s 2023-02-20 03:27:49,959 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 58.937 -33676 6459.5 -40136 -40136 6.2587 4.4656 -0.28101 3.6053e+05 2023-02-20 03:27:51,871 INFO [main.py:643]
{rank 0/100} MD step = 210500 step time: 00:00:00.018198 Performance: 502.104 ns/day 0.048 hours/ns 29.057 steps/s 2023-02-20 03:27:53,166 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 60.674 -33567 6650 -40217 -40217 6.2617 4.4693 -0.28268 3.6074e+05 2023-02-20 03:27:55,041 INFO [main.py:643]
{rank 0/100} MD step = 210600 step time: 00:00:00.018260 Performance: 502.123 ns/day 0.048 hours/ns 29.058 steps/s 2023-02-20 03:27:56,381 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 59.306 -33515 6500 -40016 -40016 6.2626 4.4693 -0.28314 3.6093e+05 2023-02-20 03:27:58,270 INFO [main.py:643]
{rank 0/100} MD step = 210700 step time: 00:00:00.019039 Performance: 502.137 ns/day 0.048 hours/ns 29.059 steps/s 2023-02-20 03:27:59,503 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 61.147 -33379 6701.8 -40081 -40081 6.2655 4.4697 -0.28383 3.6111e+05 2023-02-20 03:28:01,408 INFO [main.py:643]
{rank 0/100} MD step = 210800 step time: 00:00:00.018054 Performance: 502.158 ns/day 0.048 hours/ns 29.060 steps/s 2023-02-20 03:28:02,739 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 60.559 -33512 6637.3 -40150 -40150 6.2704 4.4702 -0.28308 3.6125e+05 2023-02-20 03:28:04,560 INFO [main.py:643]
{rank 0/100} MD step = 210900 step time: 00:00:00.018186 Performance: 502.178 ns/day 0.048 hours/ns 29.061 steps/s 2023-02-20 03:28:05,851 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 60.32 -33580 6611.1 -40191 -40191 6.2749 4.4726 -0.28316 3.614e+05 2023-02-20 03:28:07,768 INFO [main.py:643]
{rank 0/100} MD step = 211000 step time: 00:00:00.018159 Performance: 502.195 ns/day 0.048 hours/ns 29.062 steps/s 2023-02-20 03:28:09,114 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 59.62 -33525 6534.5 -40060 -40060 6.2782 4.4752 -0.28444 3.6159e+05 2023-02-20 03:28:10,962 INFO [main.py:643]
{rank 0/100} MD step = 211100 step time: 00:00:00.018092 Performance: 502.212 ns/day 0.048 hours/ns 29.063 steps/s 2023-02-20 03:28:12,260 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 60.325 -33489 6611.7 -40101 -40101 6.2846 4.4761 -0.28406 3.6175e+05 2023-02-20 03:28:14,141 INFO [main.py:643]
{rank 0/100} MD step = 211200 step time: 00:00:00.018061 Performance: 502.230 ns/day 0.048 hours/ns 29.064 steps/s 2023-02-20 03:28:15,499 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 60.676 -33395 6650.2 -40045 -40045 6.2892 4.477 -0.28356 3.6189e+05 2023-02-20 03:28:17,426 INFO [main.py:643]
{rank 0/100} MD step = 211300 step time: 00:00:00.018443 Performance: 502.240 ns/day 0.048 hours/ns 29.065 steps/s 2023-02-20 03:28:18,664 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 59.829 -33686 6557.4 -40244 -40244 6.2936 4.478 -0.28458 3.6204e+05 2023-02-20 03:28:20,570 INFO [main.py:643]
{rank 0/100} MD step = 211400 step time: 00:00:00.018053 Performance: 502.261 ns/day 0.048 hours/ns 29.066 steps/s 2023-02-20 03:28:22,086 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 60.082 -33595 6585 -40180 -40180 6.2973 4.4796 -0.28303 3.6222e+05 2023-02-20 03:28:23,987 INFO [main.py:643]
{rank 0/100} MD step = 211500 step time: 00:00:00.017951 Performance: 502.263 ns/day 0.048 hours/ns 29.066 steps/s 2023-02-20 03:28:25,774 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 60.357 -33397 6615.2 -40012 -40012 6.2989 4.4801 -0.28373 3.624e+05 2023-02-20 03:28:27,679 INFO [main.py:643]
{rank 0/100} MD step = 211600 step time: 00:00:00.017992 Performance: 502.245 ns/day 0.048 hours/ns 29.065 steps/s 2023-02-20 03:28:28,913 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 211600 42320 59.309 -33499 6500.3 -39999 -39999 6.3019 4.4798 -0.28383 3.6259e+05 2023-02-20 03:28:30,838 INFO [main.py:643]
{rank 0/100} MD step = 211700 step time: 00:00:00.017985 Performance: 502.265 ns/day 0.048 hours/ns 29.066 steps/s 2023-02-20 03:28:32,319 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 60.631 -33573 6645.3 -40218 -40218 6.3044 4.4805 -0.28227 3.6273e+05 2023-02-20 03:28:34,216 INFO [main.py:643]
{rank 0/100} MD step = 211800 step time: 00:00:00.018086 Performance: 502.269 ns/day 0.048 hours/ns 29.066 steps/s 2023-02-20 03:28:35,661 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 59.916 -33594 6566.9 -40160 -40160 6.308 4.4838 -0.28051 3.6292e+05 2023-02-20 03:28:37,583 INFO [main.py:643]
{rank 0/100} MD step = 211900 step time: 00:00:00.018089 Performance: 502.274 ns/day 0.048 hours/ns 29.067 steps/s 2023-02-20 03:28:39,338 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 60.242 -33439 6602.5 -40042 -40042 6.3115 4.4847 -0.27769 3.6308e+05 2023-02-20 03:28:41,256 INFO [main.py:643]
{rank 0/100} MD step = 212000 step time: 00:00:00.018202 Performance: 502.258 ns/day 0.048 hours/ns 29.066 steps/s 2023-02-20 03:28:42,585 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 60.297 -33531 6608.7 -40140 -40140 6.3172 4.4867 -0.2788 3.6327e+05 2023-02-20 03:28:44,420 INFO [main.py:643]
{rank 0/100} MD step = 212100 step time: 00:00:00.017965 Performance: 502.277 ns/day 0.048 hours/ns 29.067 steps/s 2023-02-20 03:28:45,690 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 60.767 -33540 6660.2 -40200 -40200 6.3203 4.4877 -0.27769 3.6345e+05 2023-02-20 03:28:47,547 INFO [main.py:643]
{rank 0/100} MD step = 212200 step time: 00:00:00.018205 Performance: 502.299 ns/day 0.048 hours/ns 29.068 steps/s 2023-02-20 03:28:48,837 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 59.597 -33716 6531.9 -40248 -40248 6.324 4.4888 -0.2774 3.636e+05 2023-02-20 03:28:50,718 INFO [main.py:643]
{rank 0/100} MD step = 212300 step time: 00:00:00.018056 Performance: 502.317 ns/day 0.048 hours/ns 29.069 steps/s 2023-02-20 03:28:51,998 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 59.87 -33502 6561.8 -40064 -40064 6.328 4.4904 -0.27649 3.6382e+05 2023-02-20 03:28:53,815 INFO [main.py:643]
{rank 0/100} MD step = 212400 step time: 00:00:00.018234 Performance: 502.341 ns/day 0.048 hours/ns 29.071 steps/s 2023-02-20 03:28:55,351 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 60.805 -33380 6664.3 -40045 -40045 6.3325 4.4932 -0.27677 3.6399e+05 2023-02-20 03:28:57,177 INFO [main.py:643]
{rank 0/100} MD step = 212500 step time: 00:00:00.018144 Performance: 502.346 ns/day 0.048 hours/ns 29.071 steps/s 2023-02-20 03:28:58,509 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 61.021 -33355 6688 -40043 -40043 6.3346 4.4948 -0.27668 3.6417e+05 2023-02-20 03:29:00,353 INFO [main.py:643]
{rank 0/100} MD step = 212600 step time: 00:00:00.018090 Performance: 502.364 ns/day 0.048 hours/ns 29.072 steps/s 2023-02-20 03:29:01,556 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 60.533 -33557 6634.5 -40192 -40192 6.3379 4.4964 -0.27613 3.6431e+05 2023-02-20 03:29:03,507 INFO [main.py:643]
{rank 0/100} MD step = 212700 step time: 00:00:00.018000 Performance: 502.384 ns/day 0.048 hours/ns 29.073 steps/s 2023-02-20 03:29:04,717 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 59.058 -33635 6472.8 -40108 -40108 6.3413 4.4973 -0.2766 3.6451e+05 2023-02-20 03:29:06,619 INFO [main.py:643]
{rank 0/100} MD step = 212800 step time: 00:00:00.018960 Performance: 502.406 ns/day 0.048 hours/ns 29.074 steps/s 2023-02-20 03:29:07,916 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 59.457 -33533 6516.6 -40050 -40050 6.3421 4.5005 -0.2776 3.6467e+05 2023-02-20 03:29:09,866 INFO [main.py:643]
{rank 0/100} MD step = 212900 step time: 00:00:00.018258 Performance: 502.419 ns/day 0.048 hours/ns 29.075 steps/s 2023-02-20 03:29:10,997 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 60.578 -33468 6639.4 -40107 -40107 6.3462 4.5003 -0.2775 3.6481e+05 2023-02-20 03:29:12,999 INFO [main.py:643]
{rank 0/100} MD step = 213000 step time: 00:00:00.018169 Performance: 502.440 ns/day 0.048 hours/ns 29.076 steps/s 2023-02-20 03:29:14,236 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 213000 42600 60.336 -33553 6612.9 -40165 -40165 6.3519 4.5011 -0.27791 3.6499e+05 2023-02-20 03:29:16,136 INFO [main.py:643]
{rank 0/100} MD step = 213100 step time: 00:00:00.017963 Performance: 502.461 ns/day 0.048 hours/ns 29.078 steps/s 2023-02-20 03:29:17,469 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 60.664 -33414 6648.9 -40063 -40063 6.3544 4.5012 -0.27764 3.6516e+05 2023-02-20 03:29:19,296 INFO [main.py:643]
{rank 0/100} MD step = 213200 step time: 00:00:00.018060 Performance: 502.480 ns/day 0.048 hours/ns 29.079 steps/s 2023-02-20 03:29:20,561 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 213200 42640 60.037 -33525 6580.2 -40106 -40106 6.3554 4.5019 -0.27784 3.6536e+05 2023-02-20 03:29:22,420 INFO [main.py:643]
{rank 0/100} MD step = 213300 step time: 00:00:00.018135 Performance: 502.502 ns/day 0.048 hours/ns 29.080 steps/s 2023-02-20 03:29:23,986 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 59.822 -33618 6556.5 -40174 -40174 6.3582 4.5042 -0.27771 3.6552e+05 2023-02-20 03:29:25,881 INFO [main.py:643]
{rank 0/100} MD step = 213400 step time: 00:00:00.018014 Performance: 502.500 ns/day 0.048 hours/ns 29.080 steps/s 2023-02-20 03:29:27,204 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 213400 42680 61.244 -33374 6712.5 -40086 -40086 6.3609 4.5051 -0.27843 3.6571e+05 2023-02-20 03:29:29,024 INFO [main.py:643]
{rank 0/100} MD step = 213500 step time: 00:00:00.018146 Performance: 502.521 ns/day 0.048 hours/ns 29.081 steps/s 2023-02-20 03:29:30,808 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 60.7 -33509 6652.8 -40162 -40162 6.3642 4.509 -0.27743 3.6584e+05 2023-02-20 03:29:32,935 INFO [main.py:643]
{rank 0/100} MD step = 213600 step time: 00:00:00.018167 Performance: 502.488 ns/day 0.048 hours/ns 29.079 steps/s 2023-02-20 03:29:34,234 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 59.649 -33591 6537.6 -40128 -40128 6.3689 4.5083 -0.27599 3.6603e+05 2023-02-20 03:29:36,119 INFO [main.py:643]
{rank 0/100} MD step = 213700 step time: 00:00:00.018126 Performance: 502.506 ns/day 0.048 hours/ns 29.080 steps/s 2023-02-20 03:29:37,503 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 59.995 -33597 6575.5 -40173 -40173 6.3729 4.5099 -0.27451 3.6616e+05 2023-02-20 03:29:39,323 INFO [main.py:643]
{rank 0/100} MD step = 213800 step time: 00:00:00.017995 Performance: 502.522 ns/day 0.048 hours/ns 29.081 steps/s 2023-02-20 03:29:40,583 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 60.492 -33503 6630 -40133 -40133 6.3776 4.5125 -0.27438 3.6634e+05 2023-02-20 03:29:42,453 INFO [main.py:643]
{rank 0/100} MD step = 213900 step time: 00:00:00.017972 Performance: 502.543 ns/day 0.048 hours/ns 29.082 steps/s 2023-02-20 03:29:43,757 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 213900 42780 60.113 -33475 6588.5 -40063 -40063 6.3794 4.5132 -0.27426 3.6654e+05 2023-02-20 03:29:45,606 INFO [main.py:643]
{rank 0/100} MD step = 214000 step time: 00:00:00.018064 Performance: 502.562 ns/day 0.048 hours/ns 29.083 steps/s 2023-02-20 03:29:46,915 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 60.185 -33527 6596.4 -40123 -40123 6.3847 4.5166 -0.27461 3.6674e+05 2023-02-20 03:29:48,741 INFO [main.py:643]
{rank 0/100} MD step = 214100 step time: 00:00:00.018148 Performance: 502.583 ns/day 0.048 hours/ns 29.085 steps/s 2023-02-20 03:29:50,399 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 60.56 -33653 6637.5 -40291 -40291 6.3861 4.5193 -0.27504 3.669e+05 2023-02-20 03:29:52,288 INFO [main.py:643]
{rank 0/100} MD step = 214200 step time: 00:00:00.018068 Performance: 502.576 ns/day 0.048 hours/ns 29.084 steps/s 2023-02-20 03:29:53,594 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 214200 42840 59.726 -33554 6546 -40100 -40100 6.3914 4.5209 -0.27462 3.671e+05 2023-02-20 03:29:55,484 INFO [main.py:643]
{rank 0/100} MD step = 214300 step time: 00:00:00.017924 Performance: 502.592 ns/day 0.048 hours/ns 29.085 steps/s 2023-02-20 03:29:56,852 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 59.877 -33610 6562.6 -40173 -40173 6.3943 4.521 -0.27463 3.6733e+05 2023-02-20 03:29:58,816 INFO [main.py:643]
{rank 0/100} MD step = 214400 step time: 00:00:00.018114 Performance: 502.599 ns/day 0.048 hours/ns 29.086 steps/s 2023-02-20 03:30:00,177 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 60.312 -33609 6610.3 -40220 -40220 6.3993 4.522 -0.27205 3.6745e+05 2023-02-20 03:30:02,062 INFO [main.py:643]
{rank 0/100} MD step = 214500 step time: 00:00:00.019461 Performance: 502.612 ns/day 0.048 hours/ns 29.086 steps/s 2023-02-20 03:30:03,324 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 59.177 -33635 6485.9 -40121 -40121 6.4014 4.5235 -0.27101 3.6762e+05 2023-02-20 03:30:05,229 INFO [main.py:643]
{rank 0/100} MD step = 214600 step time: 00:00:00.018112 Performance: 502.631 ns/day 0.048 hours/ns 29.087 steps/s 2023-02-20 03:30:06,477 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 60.013 -33471 6577.5 -40049 -40049 6.4069 4.5243 -0.26969 3.6781e+05 2023-02-20 03:30:08,370 INFO [main.py:643]
{rank 0/100} MD step = 214700 step time: 00:00:00.017996 Performance: 502.651 ns/day 0.048 hours/ns 29.089 steps/s 2023-02-20 03:30:09,688 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 60.221 -33608 6600.3 -40208 -40208 6.4129 4.5263 -0.26732 3.6796e+05 2023-02-20 03:30:11,831 INFO [main.py:643]
{rank 0/100} MD step = 214800 step time: 00:00:00.018618 Performance: 502.650 ns/day 0.048 hours/ns 29.089 steps/s 2023-02-20 03:30:13,108 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 214800 42960 59.383 -33744 6508.5 -40253 -40253 6.4183 4.5281 -0.26607 3.6814e+05 2023-02-20 03:30:14,941 INFO [main.py:643]
{rank 0/100} MD step = 214900 step time: 00:00:00.018341 Performance: 502.672 ns/day 0.048 hours/ns 29.090 steps/s 2023-02-20 03:30:16,223 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 60.286 -33511 6607.4 -40118 -40118 6.4234 4.5269 -0.26581 3.6835e+05 2023-02-20 03:30:18,141 INFO [main.py:643]
{rank 0/100} MD step = 215000 step time: 00:00:00.017987 Performance: 502.688 ns/day 0.048 hours/ns 29.091 steps/s 2023-02-20 03:30:19,401 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 60.19 -33427 6596.9 -40024 -40024 6.4287 4.5277 -0.26573 3.6852e+05 2023-02-20 03:30:21,330 INFO [main.py:643]
{rank 0/100} MD step = 215100 step time: 00:00:00.018049 Performance: 502.705 ns/day 0.048 hours/ns 29.092 steps/s 2023-02-20 03:30:23,069 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 215100 43020 60.375 -33468 6617.2 -40085 -40085 6.4333 4.53 -0.26531 3.6869e+05 2023-02-20 03:30:24,990 INFO [main.py:643]
{rank 0/100} MD step = 215200 step time: 00:00:00.018316 Performance: 502.690 ns/day 0.048 hours/ns 29.091 steps/s 2023-02-20 03:30:26,499 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 60.196 -33470 6597.6 -40068 -40068 6.4364 4.5304 -0.26501 3.6881e+05 2023-02-20 03:30:28,350 INFO [main.py:643]
{rank 0/100} MD step = 215300 step time: 00:00:00.017941 Performance: 502.695 ns/day 0.048 hours/ns 29.091 steps/s 2023-02-20 03:30:29,714 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 60.616 -33426 6643.6 -40070 -40070 6.4409 4.5323 -0.26403 3.6903e+05 2023-02-20 03:30:31,569 INFO [main.py:643]
{rank 0/100} MD step = 215400 step time: 00:00:00.018195 Performance: 502.710 ns/day 0.048 hours/ns 29.092 steps/s 2023-02-20 03:30:33,142 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 60.717 -33522 6654.6 -40176 -40176 6.4449 4.5326 -0.26334 3.6918e+05 2023-02-20 03:30:35,142 INFO [main.py:643]
{rank 0/100} MD step = 215500 step time: 00:00:00.017908 Performance: 502.701 ns/day 0.048 hours/ns 29.091 steps/s 2023-02-20 03:30:36,447 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 60.456 -33463 6626.1 -40089 -40089 6.4485 4.5337 -0.26461 3.6936e+05 2023-02-20 03:30:38,365 INFO [main.py:643]
{rank 0/100} MD step = 215600 step time: 00:00:00.017918 Performance: 502.715 ns/day 0.048 hours/ns 29.092 steps/s 2023-02-20 03:30:39,615 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 59.477 -33596 6518.8 -40115 -40115 6.4529 4.537 -0.26554 3.6955e+05 2023-02-20 03:30:41,528 INFO [main.py:643]
{rank 0/100} MD step = 215700 step time: 00:00:00.018077 Performance: 502.734 ns/day 0.048 hours/ns 29.093 steps/s 2023-02-20 03:30:42,800 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 215700 43140 60.684 -33377 6651 -40028 -40028 6.4557 4.539 -0.26515 3.6974e+05 2023-02-20 03:30:44,709 INFO [main.py:643]
{rank 0/100} MD step = 215800 step time: 00:00:00.018761 Performance: 502.751 ns/day 0.048 hours/ns 29.094 steps/s 2023-02-20 03:30:46,316 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 60.338 -33471 6613.1 -40084 -40084 6.4596 4.5417 -0.26415 3.6988e+05 2023-02-20 03:30:48,213 INFO [main.py:643]
{rank 0/100} MD step = 215900 step time: 00:00:00.018168 Performance: 502.747 ns/day 0.048 hours/ns 29.094 steps/s 2023-02-20 03:30:49,481 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 60.163 -33533 6593.9 -40127 -40127 6.4631 4.5432 -0.26379 3.7008e+05 2023-02-20 03:30:51,453 INFO [main.py:643]
{rank 0/100} MD step = 216000 step time: 00:00:00.017911 Performance: 502.760 ns/day 0.048 hours/ns 29.095 steps/s 2023-02-20 03:30:52,775 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 59.843 -33497 6558.9 -40056 -40056 6.4666 4.5457 -0.26349 3.7026e+05 2023-02-20 03:30:54,599 INFO [main.py:643]
{rank 0/100} MD step = 216100 step time: 00:00:00.018248 Performance: 502.780 ns/day 0.048 hours/ns 29.096 steps/s 2023-02-20 03:30:55,871 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 60.817 -33499 6665.6 -40164 -40164 6.4704 4.5469 -0.26361 3.7045e+05 2023-02-20 03:30:57,820 INFO [main.py:643]
{rank 0/100} MD step = 216200 step time: 00:00:00.018016 Performance: 502.794 ns/day 0.048 hours/ns 29.097 steps/s 2023-02-20 03:30:59,036 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 59.689 -33747 6542 -40289 -40289 6.4745 4.5482 -0.26239 3.706e+05 2023-02-20 03:31:00,964 INFO [main.py:643]
{rank 0/100} MD step = 216300 step time: 00:00:00.018096 Performance: 502.814 ns/day 0.048 hours/ns 29.098 steps/s 2023-02-20 03:31:02,958 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 59.398 -33691 6510.1 -40201 -40201 6.4783 4.5508 -0.26158 3.7078e+05 2023-02-20 03:31:04,885 INFO [main.py:643]
{rank 0/100} MD step = 216400 step time: 00:00:00.018115 Performance: 502.781 ns/day 0.048 hours/ns 29.096 steps/s 2023-02-20 03:31:06,495 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 60.478 -33525 6628.4 -40154 -40154 6.4811 4.5535 -0.26278 3.7095e+05 2023-02-20 03:31:08,428 INFO [main.py:643]
{rank 0/100} MD step = 216500 step time: 00:00:00.018017 Performance: 502.774 ns/day 0.048 hours/ns 29.096 steps/s 2023-02-20 03:31:09,743 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 60.037 -33653 6580.1 -40233 -40233 6.4824 4.5544 -0.26233 3.7113e+05 2023-02-20 03:31:11,655 INFO [main.py:643]
{rank 0/100} MD step = 216600 step time: 00:00:00.018218 Performance: 502.788 ns/day 0.048 hours/ns 29.097 steps/s 2023-02-20 03:31:12,940 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 58.901 -33516 6455.7 -39971 -39971 6.4844 4.5551 -0.26255 3.7132e+05 2023-02-20 03:31:14,815 INFO [main.py:643]
{rank 0/100} MD step = 216700 step time: 00:00:00.017908 Performance: 502.807 ns/day 0.048 hours/ns 29.098 steps/s 2023-02-20 03:31:16,039 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 58.828 -33653 6447.6 -40101 -40101 6.4888 4.5576 -0.26009 3.7146e+05 2023-02-20 03:31:17,919 INFO [main.py:643]
{rank 0/100} MD step = 216800 step time: 00:00:00.021246 Performance: 502.829 ns/day 0.048 hours/ns 29.099 steps/s 2023-02-20 03:31:19,188 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 59.35 -33564 6504.8 -40069 -40069 6.4928 4.5598 -0.26165 3.7162e+05 2023-02-20 03:31:21,089 INFO [main.py:643]
{rank 0/100} MD step = 216900 step time: 00:00:00.018025 Performance: 502.848 ns/day 0.048 hours/ns 29.100 steps/s 2023-02-20 03:31:22,442 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 59.676 -33626 6540.6 -40167 -40167 6.4975 4.5622 -0.26097 3.718e+05 2023-02-20 03:31:24,835 INFO [main.py:643]
{rank 0/100} MD step = 217000 step time: 00:00:00.018027 Performance: 502.827 ns/day 0.048 hours/ns 29.099 steps/s 2023-02-20 03:31:26,160 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 59.699 -33583 6543.1 -40126 -40126 6.4988 4.5622 -0.26059 3.7197e+05 2023-02-20 03:31:28,048 INFO [main.py:643]
{rank 0/100} MD step = 217100 step time: 00:00:00.018039 Performance: 502.842 ns/day 0.048 hours/ns 29.100 steps/s 2023-02-20 03:31:29,428 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 60.456 -33466 6626.1 -40092 -40092 6.5038 4.563 -0.26104 3.7214e+05 2023-02-20 03:31:31,297 INFO [main.py:643]
{rank 0/100} MD step = 217200 step time: 00:00:00.018198 Performance: 502.854 ns/day 0.048 hours/ns 29.100 steps/s 2023-02-20 03:31:32,543 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 59.892 -33525 6564.2 -40090 -40090 6.5081 4.5641 -0.25975 3.7232e+05 2023-02-20 03:31:34,401 INFO [main.py:643]
{rank 0/100} MD step = 217300 step time: 00:00:00.017940 Performance: 502.877 ns/day 0.048 hours/ns 29.102 steps/s 2023-02-20 03:31:35,659 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 59.67 -33555 6539.9 -40095 -40095 6.512 4.5654 -0.26078 3.725e+05 2023-02-20 03:31:37,583 INFO [main.py:643]
{rank 0/100} MD step = 217400 step time: 00:00:00.018016 Performance: 502.894 ns/day 0.048 hours/ns 29.103 steps/s 2023-02-20 03:31:38,890 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 59.599 -33693 6532.1 -40225 -40225 6.5163 4.5662 -0.26229 3.7268e+05 2023-02-20 03:31:40,745 INFO [main.py:643]
{rank 0/100} MD step = 217500 step time: 00:00:00.018033 Performance: 502.912 ns/day 0.048 hours/ns 29.104 steps/s 2023-02-20 03:31:42,493 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 59.693 -33634 6542.4 -40176 -40176 6.5194 4.5676 -0.2625 3.7289e+05 2023-02-20 03:31:44,545 INFO [main.py:643]
{rank 0/100} MD step = 217600 step time: 00:00:00.018014 Performance: 502.888 ns/day 0.048 hours/ns 29.102 steps/s 2023-02-20 03:31:45,909 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 59.821 -33688 6556.4 -40244 -40244 6.5228 4.5691 -0.26335 3.7302e+05 2023-02-20 03:31:47,793 INFO [main.py:643]
{rank 0/100} MD step = 217700 step time: 00:00:00.018081 Performance: 502.900 ns/day 0.048 hours/ns 29.103 steps/s 2023-02-20 03:31:48,892 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 217700 43540 59.685 -33585 6541.5 -40126 -40126 6.5268 4.5685 -0.26343 3.7321e+05 2023-02-20 03:31:50,995 INFO [main.py:643]
{rank 0/100} MD step = 217800 step time: 00:00:00.018078 Performance: 502.916 ns/day 0.048 hours/ns 29.104 steps/s 2023-02-20 03:31:52,310 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 60.048 -33566 6581.3 -40147 -40147 6.5295 4.5696 -0.26419 3.7337e+05 2023-02-20 03:31:54,133 INFO [main.py:643]
{rank 0/100} MD step = 217900 step time: 00:00:00.018189 Performance: 502.936 ns/day 0.048 hours/ns 29.105 steps/s 2023-02-20 03:31:55,509 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 217900 43580 60.307 -33492 6609.7 -40102 -40102 6.5319 4.5706 -0.26395 3.7357e+05 2023-02-20 03:31:57,544 INFO [main.py:643]
{rank 0/100} MD step = 218000 step time: 00:00:00.018640 Performance: 502.938 ns/day 0.048 hours/ns 29.105 steps/s 2023-02-20 03:31:58,876 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 60.12 -33564 6589.3 -40153 -40153 6.5351 4.5718 -0.26265 3.7375e+05 2023-02-20 03:32:00,681 INFO [main.py:643]
{rank 0/100} MD step = 218100 step time: 00:00:00.017973 Performance: 502.958 ns/day 0.048 hours/ns 29.106 steps/s 2023-02-20 03:32:02,092 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 59.782 -33572 6552.2 -40124 -40124 6.539 4.5741 -0.26392 3.739e+05 2023-02-20 03:32:03,934 INFO [main.py:643]
{rank 0/100} MD step = 218200 step time: 00:00:00.017993 Performance: 502.970 ns/day 0.048 hours/ns 29.107 steps/s 2023-02-20 03:32:05,184 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 60.833 -33347 6667.3 -40014 -40014 6.5416 4.576 -0.26485 3.741e+05 2023-02-20 03:32:07,010 INFO [main.py:643]
{rank 0/100} MD step = 218300 step time: 00:00:00.018508 Performance: 502.994 ns/day 0.048 hours/ns 29.108 steps/s 2023-02-20 03:32:08,206 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 59.825 -33665 6556.9 -40222 -40222 6.5435 4.5774 -0.26525 3.7421e+05 2023-02-20 03:32:10,264 INFO [main.py:643]
{rank 0/100} MD step = 218400 step time: 00:00:00.018132 Performance: 503.006 ns/day 0.048 hours/ns 29.109 steps/s 2023-02-20 03:32:11,458 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 59.734 -33570 6546.9 -40117 -40117 6.5464 4.5793 -0.26488 3.7442e+05 2023-02-20 03:32:13,379 INFO [main.py:643]
{rank 0/100} MD step = 218500 step time: 00:00:00.017956 Performance: 503.028 ns/day 0.048 hours/ns 29.110 steps/s 2023-02-20 03:32:14,676 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 60.845 -33440 6668.7 -40109 -40109 6.5508 4.581 -0.26447 3.746e+05 2023-02-20 03:32:16,494 INFO [main.py:643]
{rank 0/100} MD step = 218600 step time: 00:00:00.018229 Performance: 503.049 ns/day 0.048 hours/ns 29.112 steps/s 2023-02-20 03:32:17,807 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 60.106 -33666 6587.7 -40253 -40253 6.5551 4.5823 -0.26647 3.7477e+05 2023-02-20 03:32:19,621 INFO [main.py:643]
{rank 0/100} MD step = 218700 step time: 00:00:00.019281 Performance: 503.070 ns/day 0.048 hours/ns 29.113 steps/s 2023-02-20 03:32:20,382 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 218700 43740 59.499 -33602 6521.1 -40123 -40123 6.5587 4.5829 -0.26557 3.7495e+05 2023-02-20 03:32:22,691 INFO [main.py:643]
{rank 0/100} MD step = 218800 step time: 00:00:00.018037 Performance: 503.094 ns/day 0.048 hours/ns 29.114 steps/s 2023-02-20 03:32:23,971 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 60.328 -33497 6612.1 -40109 -40109 6.5614 4.5845 -0.26471 3.7512e+05 2023-02-20 03:32:25,850 INFO [main.py:643]
{rank 0/100} MD step = 218900 step time: 00:00:00.018215 Performance: 503.113 ns/day 0.048 hours/ns 29.115 steps/s 2023-02-20 03:32:27,094 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 218900 43780 59.171 -33739 6485.3 -40224 -40224 6.5662 4.5852 -0.26567 3.7528e+05 2023-02-20 03:32:28,976 INFO [main.py:643]
{rank 0/100} MD step = 219000 step time: 00:00:00.018036 Performance: 503.134 ns/day 0.048 hours/ns 29.117 steps/s 2023-02-20 03:32:30,227 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 60.08 -33497 6584.8 -40082 -40082 6.5703 4.5858 -0.26594 3.7549e+05 2023-02-20 03:32:32,116 INFO [main.py:643]
{rank 0/100} MD step = 219100 step time: 00:00:00.018194 Performance: 503.153 ns/day 0.048 hours/ns 29.118 steps/s 2023-02-20 03:32:33,353 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 59.095 -33653 6476.8 -40130 -40130 6.5728 4.5869 -0.26714 3.7564e+05 2023-02-20 03:32:35,246 INFO [main.py:643]
{rank 0/100} MD step = 219200 step time: 00:00:00.018038 Performance: 503.174 ns/day 0.048 hours/ns 29.119 steps/s 2023-02-20 03:32:36,546 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 59.792 -33519 6553.3 -40072 -40072 6.5759 4.5883 -0.2684 3.7581e+05 2023-02-20 03:32:38,374 INFO [main.py:643]
{rank 0/100} MD step = 219300 step time: 00:00:00.018048 Performance: 503.194 ns/day 0.048 hours/ns 29.120 steps/s 2023-02-20 03:32:39,597 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 59.568 -33455 6528.8 -39983 -39983 6.5774 4.59 -0.26676 3.7599e+05 2023-02-20 03:32:41,509 INFO [main.py:643]
{rank 0/100} MD step = 219400 step time: 00:00:00.018001 Performance: 503.214 ns/day 0.048 hours/ns 29.121 steps/s 2023-02-20 03:32:42,722 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 61.21 -33519 6708.7 -40227 -40227 6.5814 4.5903 -0.26529 3.7613e+05 2023-02-20 03:32:44,655 INFO [main.py:643]
{rank 0/100} MD step = 219500 step time: 00:00:00.017940 Performance: 503.233 ns/day 0.048 hours/ns 29.122 steps/s 2023-02-20 03:32:46,383 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 59.745 -33614 6548.2 -40162 -40162 6.5857 4.5921 -0.26662 3.7631e+05 2023-02-20 03:32:48,239 INFO [main.py:643]
{rank 0/100} MD step = 219600 step time: 00:00:00.017967 Performance: 503.223 ns/day 0.048 hours/ns 29.122 steps/s 2023-02-20 03:32:49,883 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 59.849 -33539 6559.5 -40099 -40099 6.591 4.5948 -0.26863 3.7649e+05 2023-02-20 03:32:51,732 INFO [main.py:643]
{rank 0/100} MD step = 219700 step time: 00:00:00.018093 Performance: 503.219 ns/day 0.048 hours/ns 29.121 steps/s 2023-02-20 03:32:53,084 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 59.901 -33624 6565.2 -40189 -40189 6.5939 4.5966 -0.26725 3.7665e+05 2023-02-20 03:32:54,907 INFO [main.py:643]
{rank 0/100} MD step = 219800 step time: 00:00:00.018244 Performance: 503.237 ns/day 0.048 hours/ns 29.122 steps/s 2023-02-20 03:32:56,164 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 60.977 -33505 6683.1 -40188 -40188 6.598 4.5978 -0.2666 3.7681e+05 2023-02-20 03:32:58,185 INFO [main.py:643]
{rank 0/100} MD step = 219900 step time: 00:00:00.018209 Performance: 503.247 ns/day 0.048 hours/ns 29.123 steps/s 2023-02-20 03:32:59,399 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 59.86 -33701 6560.8 -40262 -40262 6.6025 4.5975 -0.2675 3.7699e+05 2023-02-20 03:33:01,396 INFO [main.py:643]
{rank 0/100} MD step = 220000 step time: 00:00:00.018103 Performance: 503.262 ns/day 0.048 hours/ns 29.124 steps/s 2023-02-20 03:33:02,825 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 61.049 -33385 6691.1 -40076 -40076 6.6043 4.5985 -0.26908 3.7719e+05 2023-02-20 03:33:04,678 INFO [main.py:643]
{rank 0/100} MD step = 220100 step time: 00:00:00.018527 Performance: 503.272 ns/day 0.048 hours/ns 29.125 steps/s 2023-02-20 03:33:06,020 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 220100 44020 59.353 -33636 6505.2 -40141 -40141 6.6082 4.6013 -0.26908 3.7737e+05 2023-02-20 03:33:07,977 INFO [main.py:643]
{rank 0/100} MD step = 220200 step time: 00:00:00.025544 Performance: 503.281 ns/day 0.048 hours/ns 29.125 steps/s 2023-02-20 03:33:09,197 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 220200 44040 60.071 -33618 6583.8 -40202 -40202 6.6104 4.601 -0.26784 3.7754e+05 2023-02-20 03:33:11,237 INFO [main.py:643]
{rank 0/100} MD step = 220300 step time: 00:00:00.018139 Performance: 503.292 ns/day 0.048 hours/ns 29.126 steps/s 2023-02-20 03:33:12,507 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 59.387 -33661 6508.9 -40169 -40169 6.6143 4.6006 -0.26718 3.7772e+05 2023-02-20 03:33:14,490 INFO [main.py:643]
{rank 0/100} MD step = 220400 step time: 00:00:00.018005 Performance: 503.304 ns/day 0.048 hours/ns 29.126 steps/s 2023-02-20 03:33:15,865 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 59.946 -33532 6570.2 -40102 -40102 6.6176 4.6029 -0.26676 3.7789e+05 2023-02-20 03:33:17,753 INFO [main.py:643]
{rank 0/100} MD step = 220500 step time: 00:00:00.017947 Performance: 503.316 ns/day 0.048 hours/ns 29.127 steps/s 2023-02-20 03:33:19,122 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 60.716 -33413 6654.5 -40068 -40068 6.6213 4.6032 -0.26754 3.7808e+05 2023-02-20 03:33:20,997 INFO [main.py:643]
{rank 0/100} MD step = 220600 step time: 00:00:00.018006 Performance: 503.328 ns/day 0.048 hours/ns 29.128 steps/s 2023-02-20 03:33:26,505 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 60.385 -33599 6618.2 -40217 -40217 6.6248 4.6017 -0.26637 3.7823e+05 2023-02-20 03:33:29,058 INFO [main.py:643]
{rank 0/100} MD step = 220700 step time: 00:00:00.018310 Performance: 503.021 ns/day 0.048 hours/ns 29.110 steps/s 2023-02-20 03:33:30,831 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 60.256 -33636 6604.2 -40240 -40240 6.6276 4.6029 -0.26695 3.7841e+05 2023-02-20 03:33:32,695 INFO [main.py:643]
{rank 0/100} MD step = 220800 step time: 00:00:00.018102 Performance: 503.008 ns/day 0.048 hours/ns 29.109 steps/s 2023-02-20 03:33:36,945 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 60.509 -33461 6631.8 -40092 -40092 6.629 4.6039 -0.26847 3.7857e+05 2023-02-20 03:33:38,797 INFO [main.py:643]
{rank 0/100} MD step = 220900 step time: 00:00:00.018043 Performance: 502.831 ns/day 0.048 hours/ns 29.099 steps/s 2023-02-20 03:33:40,328 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 59.547 -33655 6526.4 -40181 -40181 6.6296 4.6067 -0.26788 3.7875e+05 2023-02-20 03:33:42,534 INFO [main.py:643]
{rank 0/100} MD step = 221000 step time: 00:00:00.018620 Performance: 502.811 ns/day 0.048 hours/ns 29.098 steps/s 2023-02-20 03:33:43,783 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 60.62 -33634 6644.1 -40278 -40278 6.6323 4.6067 -0.26716 3.7892e+05 2023-02-20 03:33:45,703 INFO [main.py:643]
{rank 0/100} MD step = 221100 step time: 00:00:00.018003 Performance: 502.829 ns/day 0.048 hours/ns 29.099 steps/s 2023-02-20 03:33:47,076 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 60.626 -33394 6644.6 -40039 -40039 6.6364 4.6074 -0.26857 3.7916e+05 2023-02-20 03:33:48,984 INFO [main.py:643]
{rank 0/100} MD step = 221200 step time: 00:00:00.018081 Performance: 502.839 ns/day 0.048 hours/ns 29.099 steps/s 2023-02-20 03:33:53,602 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 221200 44240 60.241 -33461 6602.5 -40063 -40063 6.6401 4.6106 -0.26853 3.7932e+05 2023-02-20 03:33:55,611 INFO [main.py:643]
{rank 0/100} MD step = 221300 step time: 00:00:00.018356 Performance: 502.628 ns/day 0.048 hours/ns 29.087 steps/s 2023-02-20 03:34:02,753 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 60.036 -33519 6580 -40099 -40099 6.6441 4.6135 -0.26826 3.7947e+05 2023-02-20 03:34:04,847 INFO [main.py:643]
{rank 0/100} MD step = 221400 step time: 00:00:00.018027 Performance: 502.246 ns/day 0.048 hours/ns 29.065 steps/s 2023-02-20 03:34:06,209 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 60.067 -33552 6583.4 -40136 -40136 6.6471 4.6152 -0.26826 3.7968e+05 2023-02-20 03:34:08,142 INFO [main.py:643]
{rank 0/100} MD step = 221500 step time: 00:00:00.017977 Performance: 502.255 ns/day 0.048 hours/ns 29.066 steps/s 2023-02-20 03:34:12,548 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 59.312 -33683 6500.7 -40184 -40184 6.6524 4.6153 -0.26921 3.7982e+05 2023-02-20 03:34:14,479 INFO [main.py:643]
{rank 0/100} MD step = 221600 step time: 00:00:00.018303 Performance: 502.064 ns/day 0.048 hours/ns 29.055 steps/s 2023-02-20 03:34:15,647 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 60.354 -33442 6614.9 -40057 -40057 6.656 4.6166 -0.26947 3.7998e+05 2023-02-20 03:34:17,612 INFO [main.py:643]
{rank 0/100} MD step = 221700 step time: 00:00:00.018394 Performance: 502.085 ns/day 0.048 hours/ns 29.056 steps/s 2023-02-20 03:34:18,921 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 59.804 -33553 6554.6 -40108 -40108 6.6609 4.6186 -0.26921 3.8015e+05 2023-02-20 03:34:20,742 INFO [main.py:643]
{rank 0/100} MD step = 221800 step time: 00:00:00.019694 Performance: 502.105 ns/day 0.048 hours/ns 29.057 steps/s 2023-02-20 03:34:22,092 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 58.785 -33721 6442.9 -40164 -40164 6.6637 4.6206 -0.27145 3.8031e+05 2023-02-20 03:34:23,949 INFO [main.py:643]
{rank 0/100} MD step = 221900 step time: 00:00:00.018269 Performance: 502.121 ns/day 0.048 hours/ns 29.058 steps/s 2023-02-20 03:34:25,271 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 60.134 -33563 6590.8 -40154 -40154 6.6673 4.622 -0.27031 3.8045e+05 2023-02-20 03:34:27,140 INFO [main.py:643]
{rank 0/100} MD step = 222000 step time: 00:00:00.017969 Performance: 502.137 ns/day 0.048 hours/ns 29.059 steps/s 2023-02-20 03:34:28,358 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 58.841 -33737 6449.1 -40186 -40186 6.6728 4.6226 -0.27138 3.8067e+05 2023-02-20 03:34:30,315 INFO [main.py:643]
{rank 0/100} MD step = 222100 step time: 00:00:00.018281 Performance: 502.155 ns/day 0.048 hours/ns 29.060 steps/s 2023-02-20 03:34:31,634 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 60.706 -33455 6653.4 -40108 -40108 6.677 4.6245 -0.27217 3.8083e+05 2023-02-20 03:34:33,497 INFO [main.py:643]
{rank 0/100} MD step = 222200 step time: 00:00:00.018706 Performance: 502.172 ns/day 0.048 hours/ns 29.061 steps/s 2023-02-20 03:34:34,670 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 59.62 -33615 6534.4 -40149 -40149 6.6818 4.6265 -0.27374 3.8099e+05 2023-02-20 03:34:36,635 INFO [main.py:643]
{rank 0/100} MD step = 222300 step time: 00:00:00.018139 Performance: 502.192 ns/day 0.048 hours/ns 29.062 steps/s 2023-02-20 03:34:37,972 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 59.382 -33484 6508.4 -39992 -39992 6.6877 4.6262 -0.27392 3.8118e+05 2023-02-20 03:34:39,854 INFO [main.py:643]
{rank 0/100} MD step = 222400 step time: 00:00:00.017892 Performance: 502.206 ns/day 0.048 hours/ns 29.063 steps/s 2023-02-20 03:34:41,192 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 60.71 -33438 6653.9 -40092 -40092 6.6912 4.6263 -0.27329 3.8132e+05 2023-02-20 03:34:43,008 INFO [main.py:643]
{rank 0/100} MD step = 222500 step time: 00:00:00.018033 Performance: 502.225 ns/day 0.048 hours/ns 29.064 steps/s 2023-02-20 03:34:43,784 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 222500 44500 59.937 -33609 6569.1 -40178 -40178 6.6954 4.6276 -0.27362 3.8147e+05 2023-02-20 03:34:46,128 INFO [main.py:643]
{rank 0/100} MD step = 222600 step time: 00:00:00.017989 Performance: 502.246 ns/day 0.048 hours/ns 29.065 steps/s 2023-02-20 03:34:47,435 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 222600 44520 60.518 -33396 6632.9 -40029 -40029 6.7031 4.6278 -0.27323 3.8164e+05 2023-02-20 03:34:49,332 INFO [main.py:643]
{rank 0/100} MD step = 222700 step time: 00:00:00.018131 Performance: 502.261 ns/day 0.048 hours/ns 29.066 steps/s 2023-02-20 03:34:50,655 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 59.638 -33604 6536.5 -40140 -40140 6.7089 4.6278 -0.27253 3.818e+05 2023-02-20 03:34:52,501 INFO [main.py:643]
{rank 0/100} MD step = 222800 step time: 00:00:00.018023 Performance: 502.279 ns/day 0.048 hours/ns 29.067 steps/s 2023-02-20 03:34:53,889 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 59.624 -33556 6534.9 -40091 -40091 6.712 4.6297 -0.27202 3.8199e+05 2023-02-20 03:34:55,789 INFO [main.py:643]
{rank 0/100} MD step = 222900 step time: 00:00:00.018141 Performance: 502.289 ns/day 0.048 hours/ns 29.068 steps/s 2023-02-20 03:34:57,210 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 59.58 -33653 6530.1 -40183 -40183 6.7177 4.6289 -0.27261 3.8215e+05 2023-02-20 03:34:59,120 INFO [main.py:643]
{rank 0/100} MD step = 223000 step time: 00:00:00.017894 Performance: 502.296 ns/day 0.048 hours/ns 29.068 steps/s 2023-02-20 03:34:59,908 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 59.899 -33443 6565 -40008 -40008 6.7233 4.6315 -0.27282 3.8236e+05 2023-02-20 03:35:02,302 INFO [main.py:643]
{rank 0/100} MD step = 223100 step time: 00:00:00.018089 Performance: 502.313 ns/day 0.048 hours/ns 29.069 steps/s 2023-02-20 03:35:03,624 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 60.773 -33577 6660.8 -40238 -40238 6.728 4.6337 -0.27342 3.8251e+05 2023-02-20 03:35:05,528 INFO [main.py:643]
{rank 0/100} MD step = 223200 step time: 00:00:00.018207 Performance: 502.327 ns/day 0.048 hours/ns 29.070 steps/s 2023-02-20 03:35:07,002 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 59.546 -33651 6526.4 -40178 -40178 6.733 4.6359 -0.27325 3.8268e+05 2023-02-20 03:35:08,857 INFO [main.py:643]
{rank 0/100} MD step = 223300 step time: 00:00:00.018020 Performance: 502.335 ns/day 0.048 hours/ns 29.070 steps/s 2023-02-20 03:35:10,103 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 61.049 -33384 6691 -40075 -40075 6.7386 4.6389 -0.27474 3.8286e+05 2023-02-20 03:35:11,962 INFO [main.py:643]
{rank 0/100} MD step = 223400 step time: 00:00:00.017924 Performance: 502.356 ns/day 0.048 hours/ns 29.072 steps/s 2023-02-20 03:35:13,228 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 60.645 -33513 6646.8 -40160 -40160 6.7466 4.6422 -0.27642 3.8305e+05 2023-02-20 03:35:15,180 INFO [main.py:643]
{rank 0/100} MD step = 223500 step time: 00:00:00.018048 Performance: 502.371 ns/day 0.048 hours/ns 29.072 steps/s 2023-02-20 03:35:17,106 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 58.487 -33584 6410.3 -39994 -39994 6.7509 4.6434 -0.27662 3.8326e+05 2023-02-20 03:35:18,986 INFO [main.py:643]
{rank 0/100} MD step = 223600 step time: 00:00:00.017919 Performance: 502.347 ns/day 0.048 hours/ns 29.071 steps/s 2023-02-20 03:35:20,422 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 223600 44720 60.214 -33502 6599.5 -40102 -40102 6.7549 4.6434 -0.27693 3.8342e+05 2023-02-20 03:35:22,246 INFO [main.py:643]
{rank 0/100} MD step = 223700 step time: 00:00:00.018040 Performance: 502.359 ns/day 0.048 hours/ns 29.072 steps/s 2023-02-20 03:35:23,846 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 60.296 -33552 6608.5 -40161 -40161 6.7581 4.6433 -0.2759 3.836e+05 2023-02-20 03:35:25,797 INFO [main.py:643]
{rank 0/100} MD step = 223800 step time: 00:00:00.017923 Performance: 502.351 ns/day 0.048 hours/ns 29.071 steps/s 2023-02-20 03:35:27,039 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 60.661 -33497 6648.5 -40146 -40146 6.762 4.6436 -0.27525 3.8374e+05 2023-02-20 03:35:28,955 INFO [main.py:643]
{rank 0/100} MD step = 223900 step time: 00:00:00.020167 Performance: 502.370 ns/day 0.048 hours/ns 29.072 steps/s 2023-02-20 03:35:30,273 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 59.514 -33591 6522.8 -40114 -40114 6.7654 4.6454 -0.275 3.8392e+05 2023-02-20 03:35:32,198 INFO [main.py:643]
{rank 0/100} MD step = 224000 step time: 00:00:00.018126 Performance: 502.383 ns/day 0.048 hours/ns 29.073 steps/s 2023-02-20 03:35:33,434 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 60.35 -33469 6614.5 -40083 -40083 6.7684 4.6471 -0.27625 3.8409e+05 2023-02-20 03:35:35,390 INFO [main.py:643]
{rank 0/100} MD step = 224100 step time: 00:00:00.018349 Performance: 502.399 ns/day 0.048 hours/ns 29.074 steps/s 2023-02-20 03:35:36,643 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 58.615 -33606 6424.3 -40030 -40030 6.7758 4.6491 -0.27824 3.8425e+05 2023-02-20 03:35:38,532 INFO [main.py:643]
{rank 0/100} MD step = 224200 step time: 00:00:00.017948 Performance: 502.418 ns/day 0.048 hours/ns 29.075 steps/s 2023-02-20 03:35:39,796 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 59.747 -33426 6548.4 -39975 -39975 6.7782 4.6518 -0.28038 3.8442e+05 2023-02-20 03:35:41,728 INFO [main.py:643]
{rank 0/100} MD step = 224300 step time: 00:00:00.018231 Performance: 502.434 ns/day 0.048 hours/ns 29.076 steps/s 2023-02-20 03:35:43,045 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 59.132 -33614 6480.9 -40094 -40094 6.7813 4.6516 -0.28103 3.8459e+05 2023-02-20 03:35:44,883 INFO [main.py:643]
{rank 0/100} MD step = 224400 step time: 00:00:00.018205 Performance: 502.453 ns/day 0.048 hours/ns 29.077 steps/s 2023-02-20 03:35:46,268 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 59.887 -33634 6563.7 -40198 -40198 6.7847 4.6506 -0.28024 3.8474e+05 2023-02-20 03:35:48,093 INFO [main.py:643]
{rank 0/100} MD step = 224500 step time: 00:00:00.018068 Performance: 502.467 ns/day 0.048 hours/ns 29.078 steps/s 2023-02-20 03:35:49,198 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 59.322 -33630 6501.7 -40131 -40131 6.79 4.6523 -0.27927 3.8491e+05 2023-02-20 03:35:51,242 INFO [main.py:643]
{rank 0/100} MD step = 224600 step time: 00:00:00.018010 Performance: 502.486 ns/day 0.048 hours/ns 29.079 steps/s 2023-02-20 03:35:52,492 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 58.79 -33697 6443.4 -40140 -40140 6.7929 4.6558 -0.27748 3.8508e+05 2023-02-20 03:35:54,386 INFO [main.py:643]
{rank 0/100} MD step = 224700 step time: 00:00:00.018031 Performance: 502.505 ns/day 0.048 hours/ns 29.080 steps/s 2023-02-20 03:35:55,841 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 59.715 -33701 6544.9 -40246 -40246 6.797 4.6586 -0.27712 3.8524e+05 2023-02-20 03:35:57,680 INFO [main.py:643]
{rank 0/100} MD step = 224800 step time: 00:00:00.018740 Performance: 502.515 ns/day 0.048 hours/ns 29.081 steps/s 2023-02-20 03:35:59,021 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 60.712 -33392 6654.2 -40046 -40046 6.7989 4.6608 -0.27727 3.8546e+05 2023-02-20 03:36:00,876 INFO [main.py:643]
{rank 0/100} MD step = 224900 step time: 00:00:00.018126 Performance: 502.531 ns/day 0.048 hours/ns 29.082 steps/s 2023-02-20 03:36:02,233 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 224900 44980 59.648 -33615 6537.5 -40153 -40153 6.8024 4.6627 -0.27605 3.8559e+05 2023-02-20 03:36:04,114 INFO [main.py:643]
{rank 0/100} MD step = 225000 step time: 00:00:00.018062 Performance: 502.544 ns/day 0.048 hours/ns 29.082 steps/s 2023-02-20 03:36:05,523 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 59.578 -33445 6529.8 -39975 -39975 6.8054 4.6651 -0.27572 3.8579e+05 2023-02-20 03:36:07,387 INFO [main.py:643]
{rank 0/100} MD step = 225100 step time: 00:00:00.017988 Performance: 502.554 ns/day 0.048 hours/ns 29.083 steps/s 2023-02-20 03:36:08,801 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 59.64 -33599 6536.6 -40136 -40136 6.8082 4.6658 -0.27613 3.8594e+05 2023-02-20 03:36:10,681 INFO [main.py:643]
{rank 0/100} MD step = 225200 step time: 00:00:00.018064 Performance: 502.564 ns/day 0.048 hours/ns 29.084 steps/s 2023-02-20 03:36:12,025 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 61.426 -33383 6732.4 -40115 -40115 6.8116 4.667 -0.27609 3.8611e+05 2023-02-20 03:36:14,028 INFO [main.py:643]
{rank 0/100} MD step = 225300 step time: 00:00:00.018010 Performance: 502.570 ns/day 0.048 hours/ns 29.084 steps/s 2023-02-20 03:36:15,589 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 59.703 -33677 6543.5 -40220 -40220 6.8147 4.668 -0.27586 3.8629e+05 2023-02-20 03:36:17,765 INFO [main.py:643]
{rank 0/100} MD step = 225400 step time: 00:00:00.018033 Performance: 502.550 ns/day 0.048 hours/ns 29.083 steps/s 2023-02-20 03:36:19,139 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 60.474 -33536 6628 -40164 -40164 6.8171 4.6675 -0.27325 3.8648e+05 2023-02-20 03:36:20,948 INFO [main.py:643]
{rank 0/100} MD step = 225500 step time: 00:00:00.018250 Performance: 502.567 ns/day 0.048 hours/ns 29.084 steps/s 2023-02-20 03:36:22,349 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 225500 45100 60.057 -33425 6582.3 -40007 -40007 6.8212 4.6689 -0.27325 3.8665e+05 2023-02-20 03:36:24,208 INFO [main.py:643]
{rank 0/100} MD step = 225600 step time: 00:00:00.018063 Performance: 502.579 ns/day 0.048 hours/ns 29.084 steps/s 2023-02-20 03:36:25,427 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 60.21 -33380 6599 -39979 -39979 6.8278 4.6687 -0.27291 3.8683e+05 2023-02-20 03:36:27,370 INFO [main.py:643]
{rank 0/100} MD step = 225700 step time: 00:00:00.018670 Performance: 502.596 ns/day 0.048 hours/ns 29.085 steps/s 2023-02-20 03:36:29,261 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 59.556 -33654 6527.4 -40181 -40181 6.8315 4.6693 -0.27354 3.8698e+05 2023-02-20 03:36:31,254 INFO [main.py:643]
{rank 0/100} MD step = 225800 step time: 00:00:00.018142 Performance: 502.568 ns/day 0.048 hours/ns 29.084 steps/s 2023-02-20 03:36:32,809 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 60.192 -33575 6597.1 -40172 -40172 6.8364 4.6706 -0.2739 3.8717e+05 2023-02-20 03:36:34,740 INFO [main.py:643]
{rank 0/100} MD step = 225900 step time: 00:00:00.018230 Performance: 502.564 ns/day 0.048 hours/ns 29.084 steps/s 2023-02-20 03:36:35,997 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 225900 45180 60.644 -33536 6646.6 -40183 -40183 6.8402 4.6704 -0.2743 3.8731e+05 2023-02-20 03:36:37,919 INFO [main.py:643]
{rank 0/100} MD step = 226000 step time: 00:00:00.020995 Performance: 502.581 ns/day 0.048 hours/ns 29.085 steps/s 2023-02-20 03:36:39,207 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 59.512 -33732 6522.6 -40254 -40254 6.8423 4.6729 -0.27327 3.8748e+05 2023-02-20 03:36:41,145 INFO [main.py:643]
{rank 0/100} MD step = 226100 step time: 00:00:00.018594 Performance: 502.595 ns/day 0.048 hours/ns 29.085 steps/s 2023-02-20 03:36:42,457 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 59.48 -33542 6519.1 -40061 -40061 6.8463 4.6744 -0.27552 3.8768e+05 2023-02-20 03:36:44,291 INFO [main.py:643]
{rank 0/100} MD step = 226200 step time: 00:00:00.018057 Performance: 502.614 ns/day 0.048 hours/ns 29.086 steps/s 2023-02-20 03:36:45,467 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 60.336 -33479 6612.9 -40092 -40092 6.8493 4.6777 -0.27427 3.8786e+05 2023-02-20 03:36:47,462 INFO [main.py:643]
{rank 0/100} MD step = 226300 step time: 00:00:00.018092 Performance: 502.631 ns/day 0.048 hours/ns 29.087 steps/s 2023-02-20 03:36:48,718 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 59.473 -33591 6518.3 -40109 -40109 6.8513 4.6794 -0.27354 3.8802e+05 2023-02-20 03:36:50,580 INFO [main.py:643]
{rank 0/100} MD step = 226400 step time: 00:00:00.018123 Performance: 502.652 ns/day 0.048 hours/ns 29.089 steps/s 2023-02-20 03:36:51,815 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 59.856 -33574 6560.3 -40134 -40134 6.8551 4.6804 -0.27358 3.8819e+05 2023-02-20 03:36:53,736 INFO [main.py:643]
{rank 0/100} MD step = 226500 step time: 00:00:00.018221 Performance: 502.670 ns/day 0.048 hours/ns 29.090 steps/s 2023-02-20 03:36:54,972 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 59.813 -33486 6555.6 -40041 -40041 6.8612 4.6839 -0.27578 3.8836e+05 2023-02-20 03:36:56,898 INFO [main.py:643]
{rank 0/100} MD step = 226600 step time: 00:00:00.017840 Performance: 502.688 ns/day 0.048 hours/ns 29.091 steps/s 2023-02-20 03:36:57,979 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 60.027 -33478 6579.1 -40057 -40057 6.8634 4.6854 -0.27639 3.8855e+05 2023-02-20 03:37:00,002 INFO [main.py:643]
{rank 0/100} MD step = 226700 step time: 00:00:00.018083 Performance: 502.709 ns/day 0.048 hours/ns 29.092 steps/s 2023-02-20 03:37:01,261 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 59.609 -33542 6533.2 -40076 -40076 6.8655 4.6859 -0.27552 3.8871e+05 2023-02-20 03:37:03,153 INFO [main.py:643]
{rank 0/100} MD step = 226800 step time: 00:00:00.018024 Performance: 502.728 ns/day 0.048 hours/ns 29.093 steps/s 2023-02-20 03:37:04,439 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 59.111 -33653 6478.6 -40131 -40131 6.8684 4.6856 -0.27428 3.8887e+05 2023-02-20 03:37:06,405 INFO [main.py:643]
{rank 0/100} MD step = 226900 step time: 00:00:00.017976 Performance: 502.740 ns/day 0.048 hours/ns 29.094 steps/s 2023-02-20 03:37:07,970 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 59.306 -33641 6500.1 -40141 -40141 6.8707 4.6864 -0.27367 3.8905e+05 2023-02-20 03:37:09,837 INFO [main.py:643]
{rank 0/100} MD step = 227000 step time: 00:00:00.018049 Performance: 502.740 ns/day 0.048 hours/ns 29.094 steps/s 2023-02-20 03:37:11,234 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 60.333 -33336 6612.5 -39948 -39948 6.875 4.6874 -0.27327 3.8927e+05 2023-02-20 03:37:13,109 INFO [main.py:643]
{rank 0/100} MD step = 227100 step time: 00:00:00.018181 Performance: 502.751 ns/day 0.048 hours/ns 29.094 steps/s 2023-02-20 03:37:13,934 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 59.785 -33605 6552.5 -40158 -40158 6.881 4.6886 -0.27165 3.8941e+05 2023-02-20 03:37:16,260 INFO [main.py:643]
{rank 0/100} MD step = 227200 step time: 00:00:00.017984 Performance: 502.769 ns/day 0.048 hours/ns 29.095 steps/s 2023-02-20 03:37:17,481 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 60.296 -33564 6608.5 -40173 -40173 6.8854 4.6904 -0.27152 3.8959e+05 2023-02-20 03:37:19,407 INFO [main.py:643]
{rank 0/100} MD step = 227300 step time: 00:00:00.018333 Performance: 502.788 ns/day 0.048 hours/ns 29.097 steps/s 2023-02-20 03:37:20,661 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 60.204 -33480 6598.5 -40079 -40079 6.8917 4.6921 -0.27148 3.8978e+05 2023-02-20 03:37:22,539 INFO [main.py:643]
{rank 0/100} MD step = 227400 step time: 00:00:00.018023 Performance: 502.807 ns/day 0.048 hours/ns 29.098 steps/s 2023-02-20 03:37:23,785 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 59.94 -33519 6569.5 -40089 -40089 6.896 4.6915 -0.27097 3.8996e+05 2023-02-20 03:37:25,711 INFO [main.py:643]
{rank 0/100} MD step = 227500 step time: 00:00:00.018076 Performance: 502.824 ns/day 0.048 hours/ns 29.099 steps/s 2023-02-20 03:37:27,074 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 60.178 -33496 6595.6 -40092 -40092 6.8999 4.6923 -0.27095 3.9014e+05 2023-02-20 03:37:28,969 INFO [main.py:643]
{rank 0/100} MD step = 227600 step time: 00:00:00.017991 Performance: 502.836 ns/day 0.048 hours/ns 29.099 steps/s 2023-02-20 03:37:30,262 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 59.783 -33569 6552.3 -40121 -40121 6.9043 4.6944 -0.27195 3.9026e+05 2023-02-20 03:37:32,121 INFO [main.py:643]
{rank 0/100} MD step = 227700 step time: 00:00:00.018015 Performance: 502.854 ns/day 0.048 hours/ns 29.100 steps/s 2023-02-20 03:37:33,455 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 60.289 -33575 6607.7 -40183 -40183 6.9093 4.6947 -0.27107 3.9046e+05 2023-02-20 03:37:35,285 INFO [main.py:643]
{rank 0/100} MD step = 227800 step time: 00:00:00.018030 Performance: 502.872 ns/day 0.048 hours/ns 29.101 steps/s 2023-02-20 03:37:36,635 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 60.835 -33411 6667.6 -40078 -40078 6.9142 4.6958 -0.27148 3.9063e+05 2023-02-20 03:37:38,468 INFO [main.py:643]
{rank 0/100} MD step = 227900 step time: 00:00:00.018218 Performance: 502.888 ns/day 0.048 hours/ns 29.102 steps/s 2023-02-20 03:37:39,714 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 60.104 -33556 6587.5 -40144 -40144 6.9179 4.6974 -0.27067 3.908e+05 2023-02-20 03:37:41,561 INFO [main.py:643]
{rank 0/100} MD step = 228000 step time: 00:00:00.018252 Performance: 502.910 ns/day 0.048 hours/ns 29.104 steps/s 2023-02-20 03:37:42,720 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 59.899 -33676 6565 -40241 -40241 6.9224 4.699 -0.27023 3.9094e+05 2023-02-20 03:37:44,677 INFO [main.py:643]
{rank 0/100} MD step = 228100 step time: 00:00:00.018400 Performance: 502.930 ns/day 0.048 hours/ns 29.105 steps/s 2023-02-20 03:37:45,877 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 228100 45620 60.344 -33518 6613.8 -40132 -40132 6.9279 4.7 -0.26946 3.9114e+05 2023-02-20 03:37:47,850 INFO [main.py:643]
{rank 0/100} MD step = 228200 step time: 00:00:00.018097 Performance: 502.947 ns/day 0.048 hours/ns 29.106 steps/s 2023-02-20 03:37:49,251 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 61.029 -33550 6688.8 -40238 -40238 6.9316 4.7013 -0.2683 3.9134e+05 2023-02-20 03:37:51,091 INFO [main.py:643]
{rank 0/100} MD step = 228300 step time: 00:00:00.017931 Performance: 502.960 ns/day 0.048 hours/ns 29.106 steps/s 2023-02-20 03:37:52,482 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 60.034 -33603 6579.8 -40183 -40183 6.9354 4.7021 -0.26836 3.9153e+05 2023-02-20 03:37:54,338 INFO [main.py:643]
{rank 0/100} MD step = 228400 step time: 00:00:00.018319 Performance: 502.972 ns/day 0.048 hours/ns 29.107 steps/s 2023-02-20 03:37:55,580 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 60.368 -33527 6616.5 -40144 -40144 6.9384 4.7036 -0.26882 3.9167e+05 2023-02-20 03:37:57,503 INFO [main.py:643]
{rank 0/100} MD step = 228500 step time: 00:00:00.018059 Performance: 502.989 ns/day 0.048 hours/ns 29.108 steps/s 2023-02-20 03:37:58,836 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 59.788 -33512 6552.9 -40065 -40065 6.9425 4.706 -0.26974 3.9183e+05 2023-02-20 03:38:00,650 INFO [main.py:643]
{rank 0/100} MD step = 228600 step time: 00:00:00.018210 Performance: 503.008 ns/day 0.048 hours/ns 29.109 steps/s 2023-02-20 03:38:01,989 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 58.848 -33616 6449.8 -40066 -40066 6.9497 4.7079 -0.27011 3.92e+05 2023-02-20 03:38:03,999 INFO [main.py:643]
{rank 0/100} MD step = 228700 step time: 00:00:00.018407 Performance: 503.013 ns/day 0.048 hours/ns 29.110 steps/s 2023-02-20 03:38:05,219 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 60.691 -33542 6651.8 -40194 -40194 6.9562 4.7091 -0.27 3.9218e+05 2023-02-20 03:38:07,189 INFO [main.py:643]
{rank 0/100} MD step = 228800 step time: 00:00:00.018720 Performance: 503.029 ns/day 0.048 hours/ns 29.110 steps/s 2023-02-20 03:38:08,732 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 60.217 -33463 6599.8 -40062 -40062 6.962 4.7082 -0.26925 3.9235e+05 2023-02-20 03:38:10,591 INFO [main.py:643]
{rank 0/100} MD step = 228900 step time: 00:00:00.018145 Performance: 503.031 ns/day 0.048 hours/ns 29.111 steps/s 2023-02-20 03:38:11,952 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 60.21 -33504 6599.1 -40103 -40103 6.9658 4.7081 -0.26981 3.9254e+05 2023-02-20 03:38:13,804 INFO [main.py:643]
{rank 0/100} MD step = 229000 step time: 00:00:00.018021 Performance: 503.045 ns/day 0.048 hours/ns 29.111 steps/s 2023-02-20 03:38:15,055 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 60.146 -33511 6592.1 -40103 -40103 6.9692 4.7102 -0.27081 3.927e+05 2023-02-20 03:38:16,950 INFO [main.py:643]
{rank 0/100} MD step = 229100 step time: 00:00:00.018030 Performance: 503.064 ns/day 0.048 hours/ns 29.112 steps/s 2023-02-20 03:38:21,523 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 60.286 -33474 6607.4 -40082 -40082 6.9746 4.7107 -0.27152 3.9287e+05 2023-02-20 03:38:23,384 INFO [main.py:643]
{rank 0/100} MD step = 229200 step time: 00:00:00.018085 Performance: 502.872 ns/day 0.048 hours/ns 29.101 steps/s 2023-02-20 03:38:24,716 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 60.84 -33394 6668.1 -40062 -40062 6.9787 4.7121 -0.27182 3.9304e+05 2023-02-20 03:38:26,651 INFO [main.py:643]
{rank 0/100} MD step = 229300 step time: 00:00:00.018040 Performance: 502.883 ns/day 0.048 hours/ns 29.102 steps/s 2023-02-20 03:38:27,877 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 59.793 -33721 6553.4 -40274 -40274 6.9836 4.7139 -0.27373 3.9317e+05 2023-02-20 03:38:32,893 INFO [main.py:643]
{rank 0/100} MD step = 229400 step time: 00:00:00.018195 Performance: 502.704 ns/day 0.048 hours/ns 29.092 steps/s 2023-02-20 03:38:34,706 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 59.449 -33502 6515.7 -40018 -40018 6.9855 4.7151 -0.27346 3.9337e+05 2023-02-20 03:38:36,746 INFO [main.py:643]
{rank 0/100} MD step = 229500 step time: 00:00:00.018217 Performance: 502.678 ns/day 0.048 hours/ns 29.090 steps/s 2023-02-20 03:38:39,427 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 59.747 -33581 6548.4 -40130 -40130 6.9873 4.7165 -0.27571 3.9354e+05 2023-02-20 03:38:41,251 INFO [main.py:643]
{rank 0/100} MD step = 229600 step time: 00:00:00.018002 Performance: 502.610 ns/day 0.048 hours/ns 29.086 steps/s 2023-02-20 03:38:42,594 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 229600 45920 59.663 -33628 6539.2 -40167 -40167 6.9886 4.72 -0.27602 3.9369e+05 2023-02-20 03:38:44,509 INFO [main.py:643]
{rank 0/100} MD step = 229700 step time: 00:00:00.017932 Performance: 502.621 ns/day 0.048 hours/ns 29.087 steps/s 2023-02-20 03:38:46,565 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 59.605 -33604 6532.8 -40137 -40137 6.9914 4.7221 -0.27532 3.9387e+05 2023-02-20 03:38:48,533 INFO [main.py:643]
{rank 0/100} MD step = 229800 step time: 00:00:00.018142 Performance: 502.584 ns/day 0.048 hours/ns 29.085 steps/s 2023-02-20 03:38:49,880 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 59.375 -33545 6507.6 -40052 -40052 6.9933 4.7244 -0.27543 3.9406e+05 2023-02-20 03:38:51,697 INFO [main.py:643]
{rank 0/100} MD step = 229900 step time: 00:00:00.018082 Performance: 502.601 ns/day 0.048 hours/ns 29.086 steps/s 2023-02-20 03:38:53,068 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 59.227 -33600 6491.3 -40091 -40091 6.9972 4.7267 -0.27685 3.9421e+05 2023-02-20 03:38:54,914 INFO [main.py:643]
{rank 0/100} MD step = 230000 step time: 00:00:00.018035 Performance: 502.615 ns/day 0.048 hours/ns 29.087 steps/s 2023-02-20 03:38:55,991 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 60.238 -33493 6602.2 -40095 -40095 7.0002 4.7297 -0.27533 3.9439e+05 2023-02-20 03:38:58,107 INFO [main.py:643]
{rank 0/100} MD step = 230100 step time: 00:00:00.018118 Performance: 502.631 ns/day 0.048 hours/ns 29.087 steps/s 2023-02-20 03:38:59,496 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 60.025 -33497 6578.8 -40076 -40076 7.0042 4.7306 -0.27589 3.9459e+05 2023-02-20 03:39:01,355 INFO [main.py:643]
{rank 0/100} MD step = 230200 step time: 00:00:00.018124 Performance: 502.643 ns/day 0.048 hours/ns 29.088 steps/s 2023-02-20 03:39:02,654 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 60.188 -33413 6596.7 -40009 -40009 7.009 4.7324 -0.27712 3.9477e+05 2023-02-20 03:39:04,516 INFO [main.py:643]
{rank 0/100} MD step = 230300 step time: 00:00:00.018068 Performance: 502.660 ns/day 0.048 hours/ns 29.089 steps/s 2023-02-20 03:39:05,899 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 60.719 -33363 6654.9 -40018 -40018 7.0136 4.734 -0.27992 3.9496e+05 2023-02-20 03:39:07,878 INFO [main.py:643]
{rank 0/100} MD step = 230400 step time: 00:00:00.018233 Performance: 502.665 ns/day 0.048 hours/ns 29.089 steps/s 2023-02-20 03:39:09,143 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 59.555 -33674 6527.3 -40201 -40201 7.0167 4.736 -0.27819 3.9509e+05 2023-02-20 03:39:11,044 INFO [main.py:643]
{rank 0/100} MD step = 230500 step time: 00:00:00.017964 Performance: 502.682 ns/day 0.048 hours/ns 29.090 steps/s 2023-02-20 03:39:12,384 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 59.715 -33498 6544.9 -40043 -40043 7.0204 4.7381 -0.27755 3.9527e+05 2023-02-20 03:39:14,312 INFO [main.py:643]
{rank 0/100} MD step = 230600 step time: 00:00:00.017963 Performance: 502.693 ns/day 0.048 hours/ns 29.091 steps/s 2023-02-20 03:39:15,854 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 59.861 -33564 6560.9 -40125 -40125 7.0235 4.7386 -0.2764 3.9546e+05 2023-02-20 03:39:17,662 INFO [main.py:643]
{rank 0/100} MD step = 230700 step time: 00:00:00.018038 Performance: 502.699 ns/day 0.048 hours/ns 29.091 steps/s 2023-02-20 03:39:18,971 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 60.185 -33510 6596.3 -40106 -40106 7.0264 4.7387 -0.27637 3.9563e+05 2023-02-20 03:39:20,892 INFO [main.py:643]
{rank 0/100} MD step = 230800 step time: 00:00:00.018494 Performance: 502.712 ns/day 0.048 hours/ns 29.092 steps/s 2023-02-20 03:39:22,305 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 59.62 -33575 6534.4 -40109 -40109 7.0303 4.7404 -0.277 3.9582e+05 2023-02-20 03:39:24,151 INFO [main.py:643]
{rank 0/100} MD step = 230900 step time: 00:00:00.018003 Performance: 502.723 ns/day 0.048 hours/ns 29.093 steps/s 2023-02-20 03:39:25,436 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 230900 46180 60.255 -33494 6604 -40098 -40098 7.0344 4.742 -0.27703 3.9595e+05 2023-02-20 03:39:27,339 INFO [main.py:643]
{rank 0/100} MD step = 231000 step time: 00:00:00.017979 Performance: 502.739 ns/day 0.048 hours/ns 29.094 steps/s 2023-02-20 03:39:28,608 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 60.08 -33536 6584.9 -40121 -40121 7.0392 4.7439 -0.27755 3.9615e+05 2023-02-20 03:39:30,533 INFO [main.py:643]
{rank 0/100} MD step = 231100 step time: 00:00:00.018378 Performance: 502.754 ns/day 0.048 hours/ns 29.095 steps/s 2023-02-20 03:39:31,799 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 59.774 -33537 6551.3 -40088 -40088 7.0444 4.7442 -0.27794 3.9633e+05 2023-02-20 03:39:33,647 INFO [main.py:643]
{rank 0/100} MD step = 231200 step time: 00:00:00.018024 Performance: 502.775 ns/day 0.048 hours/ns 29.096 steps/s 2023-02-20 03:39:34,931 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 231200 46240 59.831 -33540 6557.6 -40097 -40097 7.0491 4.7446 -0.27944 3.9652e+05 2023-02-20 03:39:36,850 INFO [main.py:643]
{rank 0/100} MD step = 231300 step time: 00:00:00.017994 Performance: 502.790 ns/day 0.048 hours/ns 29.097 steps/s 2023-02-20 03:39:38,254 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 59.399 -33658 6510.2 -40169 -40169 7.0525 4.746 -0.28051 3.9668e+05 2023-02-20 03:39:40,113 INFO [main.py:643]
{rank 0/100} MD step = 231400 step time: 00:00:00.018116 Performance: 502.801 ns/day 0.048 hours/ns 29.097 steps/s 2023-02-20 03:39:41,405 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 231400 46280 59.708 -33549 6544.1 -40093 -40093 7.0551 4.7465 -0.2803 3.9688e+05 2023-02-20 03:39:43,201 INFO [main.py:643]
{rank 0/100} MD step = 231500 step time: 00:00:00.018577 Performance: 502.823 ns/day 0.048 hours/ns 29.099 steps/s 2023-02-20 03:39:44,118 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 60.474 -33446 6628 -40074 -40074 7.0582 4.7477 -0.28144 3.9702e+05 2023-02-20 03:39:46,475 INFO [main.py:643]
{rank 0/100} MD step = 231600 step time: 00:00:00.018075 Performance: 502.833 ns/day 0.048 hours/ns 29.099 steps/s 2023-02-20 03:39:47,820 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 231600 46320 59.442 -33642 6514.9 -40157 -40157 7.062 4.7491 -0.28369 3.9718e+05 2023-02-20 03:39:49,698 INFO [main.py:643]
{rank 0/100} MD step = 231700 step time: 00:00:00.018292 Performance: 502.846 ns/day 0.048 hours/ns 29.100 steps/s 2023-02-20 03:39:51,080 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 59.766 -33606 6550.4 -40157 -40157 7.0643 4.7532 -0.2864 3.9734e+05 2023-02-20 03:39:52,888 INFO [main.py:643]
{rank 0/100} MD step = 231800 step time: 00:00:00.018194 Performance: 502.862 ns/day 0.048 hours/ns 29.101 steps/s 2023-02-20 03:39:54,237 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 60.43 -33429 6623.1 -40053 -40053 7.0679 4.7554 -0.28744 3.9755e+05 2023-02-20 03:39:56,121 INFO [main.py:643]
{rank 0/100} MD step = 231900 step time: 00:00:00.018280 Performance: 502.875 ns/day 0.048 hours/ns 29.102 steps/s 2023-02-20 03:39:57,505 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 59.405 -33590 6510.8 -40101 -40101 7.0717 4.7569 -0.28798 3.9772e+05 2023-02-20 03:39:59,324 INFO [main.py:643]
{rank 0/100} MD step = 232000 step time: 00:00:00.018124 Performance: 502.890 ns/day 0.048 hours/ns 29.102 steps/s 2023-02-20 03:40:00,624 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 59.345 -33574 6504.2 -40078 -40078 7.0769 4.7584 -0.28895 3.979e+05 2023-02-20 03:40:02,499 INFO [main.py:643]
{rank 0/100} MD step = 232100 step time: 00:00:00.018098 Performance: 502.906 ns/day 0.048 hours/ns 29.103 steps/s 2023-02-20 03:40:03,373 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 59.723 -33532 6545.7 -40078 -40078 7.0808 4.7593 -0.28997 3.9804e+05 2023-02-20 03:40:05,695 INFO [main.py:643]
{rank 0/100} MD step = 232200 step time: 00:00:00.018900 Performance: 502.921 ns/day 0.048 hours/ns 29.104 steps/s 2023-02-20 03:40:06,932 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 59.886 -33596 6563.6 -40160 -40160 7.0845 4.7622 -0.2917 3.982e+05 2023-02-20 03:40:08,832 INFO [main.py:643]
{rank 0/100} MD step = 232300 step time: 00:00:00.018141 Performance: 502.940 ns/day 0.048 hours/ns 29.105 steps/s 2023-02-20 03:40:10,111 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 232300 46460 59.715 -33476 6544.8 -40021 -40021 7.0887 4.764 -0.2907 3.984e+05 2023-02-20 03:40:12,003 INFO [main.py:643]
{rank 0/100} MD step = 232400 step time: 00:00:00.018143 Performance: 502.957 ns/day 0.048 hours/ns 29.106 steps/s 2023-02-20 03:40:22,906 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 60.522 -33306 6633.3 -39940 -39940 7.0919 4.7669 -0.29171 3.9858e+05 2023-02-20 03:40:24,838 INFO [main.py:643]
{rank 0/100} MD step = 232500 step time: 00:00:00.018199 Performance: 502.366 ns/day 0.048 hours/ns 29.072 steps/s 2023-02-20 03:40:27,982 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 232500 46500 59.211 -33591 6489.5 -40080 -40080 7.0951 4.7678 -0.28936 3.9874e+05 2023-02-20 03:40:29,786 INFO [main.py:643]
{rank 0/100} MD step = 232600 step time: 00:00:00.018189 Performance: 502.271 ns/day 0.048 hours/ns 29.067 steps/s 2023-02-20 03:40:30,980 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 60.044 -33537 6580.9 -40118 -40118 7.1003 4.7704 -0.28968 3.9892e+05 2023-02-20 03:40:32,920 INFO [main.py:643]
{rank 0/100} MD step = 232700 step time: 00:00:00.018151 Performance: 502.290 ns/day 0.048 hours/ns 29.068 steps/s 2023-02-20 03:40:34,274 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 60.374 -33347 6617.1 -39964 -39964 7.104 4.772 -0.28956 3.9916e+05 2023-02-20 03:40:36,127 INFO [main.py:643]
{rank 0/100} MD step = 232800 step time: 00:00:00.018014 Performance: 502.305 ns/day 0.048 hours/ns 29.069 steps/s 2023-02-20 03:40:37,427 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 60.645 -33512 6646.8 -40158 -40158 7.1092 4.7729 -0.2908 3.9932e+05 2023-02-20 03:40:39,300 INFO [main.py:643]
{rank 0/100} MD step = 232900 step time: 00:00:00.018066 Performance: 502.321 ns/day 0.048 hours/ns 29.070 steps/s 2023-02-20 03:40:40,515 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 59.837 -33578 6558.3 -40136 -40136 7.1127 4.7746 -0.29055 3.9949e+05 2023-02-20 03:40:42,412 INFO [main.py:643]
{rank 0/100} MD step = 233000 step time: 00:00:00.017895 Performance: 502.342 ns/day 0.048 hours/ns 29.071 steps/s 2023-02-20 03:40:43,690 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 60.313 -33461 6610.4 -40071 -40071 7.1173 4.7782 -0.28988 3.9965e+05 2023-02-20 03:40:45,608 INFO [main.py:643]
{rank 0/100} MD step = 233100 step time: 00:00:00.017938 Performance: 502.357 ns/day 0.048 hours/ns 29.072 steps/s 2023-02-20 03:40:46,854 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 60.545 -33497 6635.8 -40133 -40133 7.1199 4.7803 -0.28857 3.9982e+05 2023-02-20 03:40:48,775 INFO [main.py:643]
{rank 0/100} MD step = 233200 step time: 00:00:00.018296 Performance: 502.374 ns/day 0.048 hours/ns 29.073 steps/s 2023-02-20 03:40:50,077 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 60.693 -33327 6652 -39979 -39979 7.1241 4.7834 -0.28918 4e+05 2023-02-20 03:40:51,957 INFO [main.py:643]
{rank 0/100} MD step = 233300 step time: 00:00:00.017976 Performance: 502.390 ns/day 0.048 hours/ns 29.074 steps/s 2023-02-20 03:40:53,301 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 59.694 -33646 6542.6 -40189 -40189 7.128 4.7842 -0.28873 4.0014e+05 2023-02-20 03:40:55,134 INFO [main.py:643]
{rank 0/100} MD step = 233400 step time: 00:00:00.018092 Performance: 502.407 ns/day 0.048 hours/ns 29.074 steps/s 2023-02-20 03:40:56,413 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 233400 46680 60.064 -33639 6583.1 -40222 -40222 7.1302 4.7869 -0.28854 4.0028e+05 2023-02-20 03:40:58,345 INFO [main.py:643]
{rank 0/100} MD step = 233500 step time: 00:00:00.018018 Performance: 502.421 ns/day 0.048 hours/ns 29.075 steps/s 2023-02-20 03:40:59,717 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 60.269 -33584 6605.6 -40189 -40189 7.1327 4.79 -0.28674 4.0044e+05 2023-02-20 03:41:01,763 INFO [main.py:643]
{rank 0/100} MD step = 233600 step time: 00:00:00.018063 Performance: 502.423 ns/day 0.048 hours/ns 29.075 steps/s 2023-02-20 03:41:02,999 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 60.031 -33618 6579.5 -40197 -40197 7.1368 4.7905 -0.28817 4.0061e+05 2023-02-20 03:41:06,261 INFO [main.py:643]
{rank 0/100} MD step = 233700 step time: 00:00:00.018262 Performance: 502.356 ns/day 0.048 hours/ns 29.072 steps/s 2023-02-20 03:41:07,103 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 59.517 -33625 6523.2 -40148 -40148 7.1412 4.7925 -0.28919 4.0079e+05 2023-02-20 03:41:09,117 INFO [main.py:643]
{rank 0/100} MD step = 233800 step time: 00:00:00.017977 Performance: 502.393 ns/day 0.048 hours/ns 29.074 steps/s 2023-02-20 03:41:10,408 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 59.934 -33428 6568.9 -39997 -39997 7.1457 4.7936 -0.28749 4.0098e+05 2023-02-20 03:41:12,313 INFO [main.py:643]
{rank 0/100} MD step = 233900 step time: 00:00:00.018006 Performance: 502.408 ns/day 0.048 hours/ns 29.075 steps/s 2023-02-20 03:41:13,797 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 59.899 -33534 6565 -40099 -40099 7.1492 4.7952 -0.28897 4.0111e+05 2023-02-20 03:41:15,629 INFO [main.py:643]
{rank 0/100} MD step = 234000 step time: 00:00:00.018240 Performance: 502.416 ns/day 0.048 hours/ns 29.075 steps/s 2023-02-20 03:41:17,739 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 59.942 -33665 6569.7 -40234 -40234 7.1518 4.7963 -0.28946 4.0123e+05 2023-02-20 03:41:19,674 INFO [main.py:643]
{rank 0/100} MD step = 234100 step time: 00:00:00.018044 Performance: 502.378 ns/day 0.048 hours/ns 29.073 steps/s 2023-02-20 03:41:21,136 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 59.519 -33591 6523.4 -40115 -40115 7.1547 4.7957 -0.28989 4.0141e+05 2023-02-20 03:41:22,948 INFO [main.py:643]
{rank 0/100} MD step = 234200 step time: 00:00:00.017957 Performance: 502.388 ns/day 0.048 hours/ns 29.073 steps/s 2023-02-20 03:41:24,634 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 59.599 -33576 6532.1 -40109 -40109 7.1593 4.7978 -0.29082 4.0159e+05 2023-02-20 03:41:26,553 INFO [main.py:643]
{rank 0/100} MD step = 234300 step time: 00:00:00.017983 Performance: 502.378 ns/day 0.048 hours/ns 29.073 steps/s 2023-02-20 03:41:28,054 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 60.125 -33523 6589.8 -40113 -40113 7.1623 4.8005 -0.28872 4.0177e+05 2023-02-20 03:41:30,030 INFO [main.py:643]
{rank 0/100} MD step = 234400 step time: 00:00:00.017962 Performance: 502.376 ns/day 0.048 hours/ns 29.073 steps/s 2023-02-20 03:41:31,548 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 59.531 -33578 6524.7 -40103 -40103 7.1673 4.8026 -0.2888 4.0193e+05 2023-02-20 03:41:33,401 INFO [main.py:643]
{rank 0/100} MD step = 234500 step time: 00:00:00.018037 Performance: 502.380 ns/day 0.048 hours/ns 29.073 steps/s 2023-02-20 03:41:34,766 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 60.664 -33457 6648.9 -40106 -40106 7.1705 4.8048 -0.28798 4.021e+05 2023-02-20 03:41:36,756 INFO [main.py:643]
{rank 0/100} MD step = 234600 step time: 00:00:00.018230 Performance: 502.385 ns/day 0.048 hours/ns 29.073 steps/s 2023-02-20 03:41:38,137 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 60.725 -33344 6655.5 -39999 -39999 7.1756 4.8066 -0.28837 4.0227e+05 2023-02-20 03:41:40,063 INFO [main.py:643]
{rank 0/100} MD step = 234700 step time: 00:00:00.034616 Performance: 502.393 ns/day 0.048 hours/ns 29.074 steps/s 2023-02-20 03:41:41,853 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 234700 46940 59.423 -33665 6512.8 -40178 -40178 7.1807 4.8082 -0.2877 4.024e+05 2023-02-20 03:41:43,795 INFO [main.py:643]
{rank 0/100} MD step = 234800 step time: 00:00:00.018376 Performance: 502.375 ns/day 0.048 hours/ns 29.073 steps/s 2023-02-20 03:41:45,126 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 60.751 -33349 6658.4 -40007 -40007 7.1823 4.8111 -0.28807 4.0262e+05 2023-02-20 03:41:47,036 INFO [main.py:643]
{rank 0/100} MD step = 234900 step time: 00:00:00.018175 Performance: 502.388 ns/day 0.048 hours/ns 29.073 steps/s 2023-02-20 03:41:48,429 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 60.64 -33616 6646.2 -40262 -40262 7.1868 4.814 -0.28859 4.0275e+05 2023-02-20 03:41:50,248 INFO [main.py:643]
{rank 0/100} MD step = 235000 step time: 00:00:00.017901 Performance: 502.402 ns/day 0.048 hours/ns 29.074 steps/s 2023-02-20 03:41:51,618 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 60.366 -33498 6616.1 -40114 -40114 7.192 4.814 -0.28973 4.0295e+05 2023-02-20 03:41:53,425 INFO [main.py:643]
{rank 0/100} MD step = 235100 step time: 00:00:00.018390 Performance: 502.418 ns/day 0.048 hours/ns 29.075 steps/s 2023-02-20 03:41:54,702 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 59.826 -33544 6557 -40101 -40101 7.1953 4.8138 -0.28883 4.0315e+05 2023-02-20 03:41:56,619 INFO [main.py:643]
{rank 0/100} MD step = 235200 step time: 00:00:00.018297 Performance: 502.433 ns/day 0.048 hours/ns 29.076 steps/s 2023-02-20 03:41:57,852 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 60.345 -33558 6613.9 -40172 -40172 7.1993 4.8165 -0.28973 4.0329e+05 2023-02-20 03:41:59,779 INFO [main.py:643]
{rank 0/100} MD step = 235300 step time: 00:00:00.017875 Performance: 502.451 ns/day 0.048 hours/ns 29.077 steps/s 2023-02-20 03:42:01,271 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 60.463 -33430 6626.8 -40057 -40057 7.2008 4.8165 -0.29205 4.0351e+05 2023-02-20 03:42:03,167 INFO [main.py:643]
{rank 0/100} MD step = 235400 step time: 00:00:00.020028 Performance: 502.454 ns/day 0.048 hours/ns 29.077 steps/s 2023-02-20 03:42:04,766 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 59.808 -33698 6555 -40253 -40253 7.2042 4.816 -0.29217 4.0365e+05 2023-02-20 03:42:06,612 INFO [main.py:643]
{rank 0/100} MD step = 235500 step time: 00:00:00.017891 Performance: 502.453 ns/day 0.048 hours/ns 29.077 steps/s 2023-02-20 03:42:07,886 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 235500 47100 59.585 -33650 6530.6 -40181 -40181 7.2065 4.8167 -0.29309 4.0384e+05 2023-02-20 03:42:09,843 INFO [main.py:643]
{rank 0/100} MD step = 235600 step time: 00:00:00.018305 Performance: 502.466 ns/day 0.048 hours/ns 29.078 steps/s 2023-02-20 03:42:11,198 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 59.87 -33635 6561.9 -40197 -40197 7.2121 4.8195 -0.29277 4.0402e+05 2023-02-20 03:42:13,019 INFO [main.py:643]
{rank 0/100} MD step = 235700 step time: 00:00:00.018107 Performance: 502.483 ns/day 0.048 hours/ns 29.079 steps/s 2023-02-20 03:42:14,361 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 58.986 -33625 6465 -40090 -40090 7.2164 4.8215 -0.29192 4.0417e+05 2023-02-20 03:42:16,286 INFO [main.py:643]
{rank 0/100} MD step = 235800 step time: 00:00:00.017972 Performance: 502.493 ns/day 0.048 hours/ns 29.079 steps/s 2023-02-20 03:42:17,629 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 58.969 -33653 6463.1 -40116 -40116 7.2214 4.8224 -0.29129 4.0433e+05 2023-02-20 03:42:19,500 INFO [main.py:643]
{rank 0/100} MD step = 235900 step time: 00:00:00.017900 Performance: 502.507 ns/day 0.048 hours/ns 29.080 steps/s 2023-02-20 03:42:20,684 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 60.248 -33371 6603.2 -39975 -39975 7.2244 4.8246 -0.28924 4.0453e+05 2023-02-20 03:42:22,613 INFO [main.py:643]
{rank 0/100} MD step = 236000 step time: 00:00:00.017991 Performance: 502.527 ns/day 0.048 hours/ns 29.081 steps/s 2023-02-20 03:42:23,961 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 236000 47200 60.103 -33508 6587.3 -40096 -40096 7.2294 4.8267 -0.28878 4.0466e+05 2023-02-20 03:42:25,811 INFO [main.py:643]
{rank 0/100} MD step = 236100 step time: 00:00:00.018460 Performance: 502.542 ns/day 0.048 hours/ns 29.082 steps/s 2023-02-20 03:42:27,109 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 59.501 -33747 6521.4 -40269 -40269 7.2342 4.8278 -0.28931 4.0481e+05 2023-02-20 03:42:29,065 INFO [main.py:643]
{rank 0/100} MD step = 236200 step time: 00:00:00.018389 Performance: 502.554 ns/day 0.048 hours/ns 29.083 steps/s 2023-02-20 03:42:30,407 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 60.65 -33538 6647.3 -40186 -40186 7.2395 4.8303 -0.28788 4.0497e+05 2023-02-20 03:42:32,326 INFO [main.py:643]
{rank 0/100} MD step = 236300 step time: 00:00:00.018228 Performance: 502.565 ns/day 0.048 hours/ns 29.084 steps/s 2023-02-20 03:42:33,639 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 59.492 -33666 6520.4 -40186 -40186 7.2445 4.8321 -0.28578 4.0511e+05 2023-02-20 03:42:35,495 INFO [main.py:643]
{rank 0/100} MD step = 236400 step time: 00:00:00.018189 Performance: 502.581 ns/day 0.048 hours/ns 29.085 steps/s 2023-02-20 03:42:36,774 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 60.341 -33492 6613.4 -40105 -40105 7.247 4.8346 -0.28574 4.0529e+05 2023-02-20 03:42:38,755 INFO [main.py:643]
{rank 0/100} MD step = 236500 step time: 00:00:00.018152 Performance: 502.592 ns/day 0.048 hours/ns 29.085 steps/s 2023-02-20 03:42:40,034 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 59.562 -33543 6528 -40071 -40071 7.252 4.8365 -0.28543 4.0545e+05 2023-02-20 03:42:41,918 INFO [main.py:643]
{rank 0/100} MD step = 236600 step time: 00:00:00.018109 Performance: 502.609 ns/day 0.048 hours/ns 29.086 steps/s 2023-02-20 03:42:43,548 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 59.7 -33514 6543.2 -40057 -40057 7.2563 4.8402 -0.2851 4.0561e+05 2023-02-20 03:42:45,393 INFO [main.py:643]
{rank 0/100} MD step = 236700 step time: 00:00:00.018156 Performance: 502.607 ns/day 0.048 hours/ns 29.086 steps/s 2023-02-20 03:42:46,983 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 59.153 -33720 6483.2 -40203 -40203 7.2599 4.8413 -0.28382 4.0575e+05 2023-02-20 03:42:48,949 INFO [main.py:643]
{rank 0/100} MD step = 236800 step time: 00:00:00.019315 Performance: 502.600 ns/day 0.048 hours/ns 29.086 steps/s 2023-02-20 03:42:50,288 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 59.994 -33458 6575.4 -40033 -40033 7.266 4.8444 -0.28295 4.0594e+05 2023-02-20 03:42:52,154 INFO [main.py:643]
{rank 0/100} MD step = 236900 step time: 00:00:00.017881 Performance: 502.614 ns/day 0.048 hours/ns 29.086 steps/s 2023-02-20 03:42:53,462 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 60.818 -33567 6665.7 -40233 -40233 7.2707 4.8476 -0.28479 4.0608e+05 2023-02-20 03:42:55,333 INFO [main.py:643]
{rank 0/100} MD step = 237000 step time: 00:00:00.017792 Performance: 502.630 ns/day 0.048 hours/ns 29.087 steps/s 2023-02-20 03:42:56,603 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 59.478 -33618 6518.9 -40137 -40137 7.2729 4.8503 -0.2852 4.0627e+05 2023-02-20 03:42:58,489 INFO [main.py:643]
{rank 0/100} MD step = 237100 step time: 00:00:00.018253 Performance: 502.648 ns/day 0.048 hours/ns 29.088 steps/s 2023-02-20 03:43:00,247 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 60.773 -33315 6660.8 -39976 -39976 7.2781 4.8515 -0.28568 4.0646e+05 2023-02-20 03:43:02,146 INFO [main.py:643]
{rank 0/100} MD step = 237200 step time: 00:00:00.018330 Performance: 502.634 ns/day 0.048 hours/ns 29.088 steps/s 2023-02-20 03:43:03,629 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 59.852 -33551 6559.9 -40111 -40111 7.2832 4.8534 -0.28566 4.0663e+05 2023-02-20 03:43:05,756 INFO [main.py:643]
{rank 0/100} MD step = 237300 step time: 00:00:00.017959 Performance: 502.623 ns/day 0.048 hours/ns 29.087 steps/s 2023-02-20 03:43:07,460 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 59.702 -33610 6543.4 -40153 -40153 7.289 4.8545 -0.28726 4.0679e+05 2023-02-20 03:43:09,366 INFO [main.py:643]
{rank 0/100} MD step = 237400 step time: 00:00:00.017870 Performance: 502.613 ns/day 0.048 hours/ns 29.086 steps/s 2023-02-20 03:43:11,224 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 60.313 -33675 6610.3 -40285 -40285 7.2963 4.8562 -0.28591 4.0696e+05 2023-02-20 03:43:13,044 INFO [main.py:643]
{rank 0/100} MD step = 237500 step time: 00:00:00.017954 Performance: 502.598 ns/day 0.048 hours/ns 29.086 steps/s 2023-02-20 03:43:14,588 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 59.942 -33582 6569.7 -40151 -40151 7.3034 4.8569 -0.28746 4.0712e+05 2023-02-20 03:43:16,498 INFO [main.py:643]
{rank 0/100} MD step = 237600 step time: 00:00:00.018096 Performance: 502.597 ns/day 0.048 hours/ns 29.085 steps/s 2023-02-20 03:43:17,937 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 59.922 -33424 6567.5 -39991 -39991 7.3077 4.8595 -0.28562 4.0732e+05 2023-02-20 03:43:19,788 INFO [main.py:643]
{rank 0/100} MD step = 237700 step time: 00:00:00.018195 Performance: 502.606 ns/day 0.048 hours/ns 29.086 steps/s 2023-02-20 03:43:21,216 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 60.913 -33470 6676.2 -40146 -40146 7.3142 4.8589 -0.28622 4.075e+05 2023-02-20 03:43:23,030 INFO [main.py:643]
{rank 0/100} MD step = 237800 step time: 00:00:00.017899 Performance: 502.618 ns/day 0.048 hours/ns 29.087 steps/s 2023-02-20 03:43:24,292 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 59.835 -33600 6558 -40158 -40158 7.3176 4.8626 -0.28678 4.0768e+05 2023-02-20 03:43:26,253 INFO [main.py:643]
{rank 0/100} MD step = 237900 step time: 00:00:00.018100 Performance: 502.631 ns/day 0.048 hours/ns 29.087 steps/s 2023-02-20 03:43:27,650 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 59.561 -33549 6528 -40077 -40077 7.3236 4.8644 -0.2863 4.0785e+05 2023-02-20 03:43:29,572 INFO [main.py:643]
{rank 0/100} MD step = 238000 step time: 00:00:00.018108 Performance: 502.639 ns/day 0.048 hours/ns 29.088 steps/s 2023-02-20 03:43:30,846 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 60.072 -33461 6583.9 -40045 -40045 7.3299 4.8662 -0.28657 4.0804e+05 2023-02-20 03:43:32,755 INFO [main.py:643]
{rank 0/100} MD step = 238100 step time: 00:00:00.018123 Performance: 502.654 ns/day 0.048 hours/ns 29.089 steps/s 2023-02-20 03:43:34,860 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 60.657 -33400 6648.1 -40048 -40048 7.3325 4.8677 -0.28632 4.0818e+05 2023-02-20 03:43:36,684 INFO [main.py:643]
{rank 0/100} MD step = 238200 step time: 00:00:00.017879 Performance: 502.624 ns/day 0.048 hours/ns 29.087 steps/s 2023-02-20 03:43:37,967 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 60.257 -33431 6604.3 -40035 -40035 7.3357 4.8681 -0.28804 4.0832e+05 2023-02-20 03:43:39,951 INFO [main.py:643]
{rank 0/100} MD step = 238300 step time: 00:00:00.018177 Performance: 502.635 ns/day 0.048 hours/ns 29.088 steps/s 2023-02-20 03:43:41,480 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 60.518 -33559 6632.8 -40192 -40192 7.3398 4.8703 -0.28906 4.0848e+05 2023-02-20 03:43:43,440 INFO [main.py:643]
{rank 0/100} MD step = 238400 step time: 00:00:00.018094 Performance: 502.632 ns/day 0.048 hours/ns 29.087 steps/s 2023-02-20 03:43:44,335 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 59.889 -33477 6563.9 -40041 -40041 7.3439 4.8723 -0.28874 4.0866e+05 2023-02-20 03:43:47,242 INFO [main.py:643]
{rank 0/100} MD step = 238500 step time: 00:00:00.018234 Performance: 502.609 ns/day 0.048 hours/ns 29.086 steps/s 2023-02-20 03:43:48,737 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 59.978 -33612 6573.7 -40185 -40185 7.3503 4.874 -0.2897 4.0882e+05 2023-02-20 03:43:50,593 INFO [main.py:643]
{rank 0/100} MD step = 238600 step time: 00:00:00.018138 Performance: 502.615 ns/day 0.048 hours/ns 29.086 steps/s 2023-02-20 03:43:52,009 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 238600 47720 60.171 -33535 6594.8 -40130 -40130 7.3576 4.8752 -0.28946 4.0901e+05 2023-02-20 03:43:53,884 INFO [main.py:643]
{rank 0/100} MD step = 238700 step time: 00:00:00.018320 Performance: 502.624 ns/day 0.048 hours/ns 29.087 steps/s 2023-02-20 03:43:55,418 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 238700 47740 60.563 -33570 6637.7 -40208 -40208 7.3616 4.8765 -0.28941 4.0918e+05 2023-02-20 03:43:57,320 INFO [main.py:643]
{rank 0/100} MD step = 238800 step time: 00:00:00.018034 Performance: 502.624 ns/day 0.048 hours/ns 29.087 steps/s 2023-02-20 03:44:06,539 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 60.091 -33465 6586.1 -40051 -40051 7.3656 4.8773 -0.28924 4.0937e+05 2023-02-20 03:44:08,422 INFO [main.py:643]
{rank 0/100} MD step = 238900 step time: 00:00:00.018075 Performance: 502.155 ns/day 0.048 hours/ns 29.060 steps/s 2023-02-20 03:44:10,030 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 238900 47780 59.364 -33644 6506.4 -40150 -40150 7.3713 4.8794 -0.28927 4.0952e+05 2023-02-20 03:44:11,890 INFO [main.py:643]
{rank 0/100} MD step = 239000 step time: 00:00:00.018090 Performance: 502.154 ns/day 0.048 hours/ns 29.060 steps/s 2023-02-20 03:44:16,399 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 60.173 -33490 6595.1 -40085 -40085 7.3747 4.8812 -0.28773 4.097e+05 2023-02-20 03:44:18,270 INFO [main.py:643]
{rank 0/100} MD step = 239100 step time: 00:00:00.018106 Performance: 501.974 ns/day 0.048 hours/ns 29.049 steps/s 2023-02-20 03:44:19,588 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 59.88 -33626 6562.9 -40189 -40189 7.3766 4.8824 -0.28498 4.0985e+05 2023-02-20 03:44:22,055 INFO [main.py:643]
{rank 0/100} MD step = 239200 step time: 00:00:00.018244 Performance: 501.953 ns/day 0.048 hours/ns 29.048 steps/s 2023-02-20 03:44:23,402 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 239200 47840 59.465 -33515 6517.4 -40032 -40032 7.3818 4.886 -0.28431 4.1002e+05 2023-02-20 03:44:25,267 INFO [main.py:643]
{rank 0/100} MD step = 239300 step time: 00:00:00.018004 Performance: 501.967 ns/day 0.048 hours/ns 29.049 steps/s 2023-02-20 03:44:26,822 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 239300 47860 59.02 -33583 6468.7 -40052 -40052 7.3853 4.8872 -0.28504 4.102e+05 2023-02-20 03:44:28,666 INFO [main.py:643]
{rank 0/100} MD step = 239400 step time: 00:00:00.018011 Performance: 501.970 ns/day 0.048 hours/ns 29.049 steps/s 2023-02-20 03:44:30,570 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 60.006 -33452 6576.7 -40029 -40029 7.3891 4.8885 -0.28451 4.1037e+05 2023-02-20 03:44:32,433 INFO [main.py:643]
{rank 0/100} MD step = 239500 step time: 00:00:00.017872 Performance: 501.950 ns/day 0.048 hours/ns 29.048 steps/s 2023-02-20 03:44:33,785 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 60.852 -33374 6669.5 -40043 -40043 7.3947 4.8909 -0.28405 4.1057e+05 2023-02-20 03:44:35,605 INFO [main.py:643]
{rank 0/100} MD step = 239600 step time: 00:00:00.018496 Performance: 501.967 ns/day 0.048 hours/ns 29.049 steps/s 2023-02-20 03:44:37,122 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 59.648 -33720 6537.4 -40257 -40257 7.3985 4.8927 -0.2836 4.1072e+05 2023-02-20 03:44:39,040 INFO [main.py:643]
{rank 0/100} MD step = 239700 step time: 00:00:00.018014 Performance: 501.967 ns/day 0.048 hours/ns 29.049 steps/s 2023-02-20 03:44:40,527 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 59.553 -33610 6527 -40137 -40137 7.4018 4.8953 -0.28209 4.1088e+05 2023-02-20 03:44:42,326 INFO [main.py:643]
{rank 0/100} MD step = 239800 step time: 00:00:00.019014 Performance: 501.977 ns/day 0.048 hours/ns 29.050 steps/s 2023-02-20 03:44:44,214 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 60.462 -33623 6626.7 -40250 -40250 7.4072 4.8991 -0.28268 4.1104e+05 2023-02-20 03:44:46,102 INFO [main.py:643]
{rank 0/100} MD step = 239900 step time: 00:00:00.018141 Performance: 501.956 ns/day 0.048 hours/ns 29.048 steps/s 2023-02-20 03:44:47,783 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 60.393 -33551 6619.2 -40170 -40170 7.4096 4.9016 -0.2825 4.1121e+05 2023-02-20 03:44:49,712 INFO [main.py:643]
{rank 0/100} MD step = 240000 step time: 00:00:00.018073 Performance: 501.946 ns/day 0.048 hours/ns 29.048 steps/s 2023-02-20 03:44:51,293 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 240000 48000 60.205 -33449 6598.5 -40048 -40048 7.4158 4.9018 -0.28266 4.1138e+05 2023-02-20 03:44:53,164 INFO [main.py:643]
{rank 0/100} MD step = 240100 step time: 00:00:00.018022 Performance: 501.946 ns/day 0.048 hours/ns 29.048 steps/s 2023-02-20 03:44:54,871 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 58.954 -33689 6461.5 -40151 -40151 7.421 4.9032 -0.28135 4.1158e+05 2023-02-20 03:44:56,672 INFO [main.py:643]
{rank 0/100} MD step = 240200 step time: 00:00:00.017838 Performance: 501.942 ns/day 0.048 hours/ns 29.048 steps/s 2023-02-20 03:44:58,077 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 60.326 -33494 6611.8 -40106 -40106 7.4252 4.9044 -0.28054 4.1169e+05 2023-02-20 03:44:59,899 INFO [main.py:643]
{rank 0/100} MD step = 240300 step time: 00:00:00.017808 Performance: 501.955 ns/day 0.048 hours/ns 29.048 steps/s 2023-02-20 03:45:01,181 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 60.469 -33556 6627.4 -40183 -40183 7.4283 4.9071 -0.28086 4.1187e+05 2023-02-20 03:45:03,021 INFO [main.py:643]
{rank 0/100} MD step = 240400 step time: 00:00:00.018023 Performance: 501.974 ns/day 0.048 hours/ns 29.049 steps/s 2023-02-20 03:45:04,630 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 240400 48080 60.007 -33490 6576.8 -40067 -40067 7.4328 4.9087 -0.28303 4.1201e+05 2023-02-20 03:45:06,518 INFO [main.py:643]
{rank 0/100} MD step = 240500 step time: 00:00:00.018251 Performance: 501.971 ns/day 0.048 hours/ns 29.049 steps/s 2023-02-20 03:45:07,842 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 60.548 -33548 6636.2 -40185 -40185 7.4372 4.91 -0.28358 4.1218e+05 2023-02-20 03:45:09,691 INFO [main.py:643]
{rank 0/100} MD step = 240600 step time: 00:00:00.018539 Performance: 501.987 ns/day 0.048 hours/ns 29.050 steps/s 2023-02-20 03:45:10,970 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 60.782 -33497 6661.8 -40159 -40159 7.4402 4.9115 -0.28512 4.1233e+05 2023-02-20 03:45:12,822 INFO [main.py:643]
{rank 0/100} MD step = 240700 step time: 00:00:00.018379 Performance: 502.006 ns/day 0.048 hours/ns 29.051 steps/s 2023-02-20 03:45:14,057 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 240700 48140 60.444 -33438 6624.8 -40063 -40063 7.4434 4.9122 -0.28402 4.125e+05 2023-02-20 03:45:15,966 INFO [main.py:643]
{rank 0/100} MD step = 240800 step time: 00:00:00.018347 Performance: 502.024 ns/day 0.048 hours/ns 29.052 steps/s 2023-02-20 03:45:17,487 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 59.182 -33658 6486.4 -40144 -40144 7.4474 4.9133 -0.28394 4.127e+05 2023-02-20 03:45:19,395 INFO [main.py:643]
{rank 0/100} MD step = 240900 step time: 00:00:00.018299 Performance: 502.025 ns/day 0.048 hours/ns 29.052 steps/s 2023-02-20 03:45:20,636 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 59.554 -33624 6527.2 -40151 -40151 7.4517 4.915 -0.28588 4.1287e+05 2023-02-20 03:45:22,562 INFO [main.py:643]
{rank 0/100} MD step = 241000 step time: 00:00:00.017946 Performance: 502.042 ns/day 0.048 hours/ns 29.053 steps/s 2023-02-20 03:45:23,774 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 59.836 -33554 6558.1 -40112 -40112 7.4552 4.9166 -0.28687 4.1306e+05 2023-02-20 03:45:25,709 INFO [main.py:643]
{rank 0/100} MD step = 241100 step time: 00:00:00.018306 Performance: 502.060 ns/day 0.048 hours/ns 29.054 steps/s 2023-02-20 03:45:26,989 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 59.224 -33668 6491.1 -40159 -40159 7.4579 4.9192 -0.28504 4.1322e+05 2023-02-20 03:45:28,916 INFO [main.py:643]
{rank 0/100} MD step = 241200 step time: 00:00:00.018451 Performance: 502.074 ns/day 0.048 hours/ns 29.055 steps/s 2023-02-20 03:45:30,110 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 241200 48240 60.041 -33570 6580.5 -40151 -40151 7.4615 4.9211 -0.2832 4.1341e+05 2023-02-20 03:45:32,090 INFO [main.py:643]
{rank 0/100} MD step = 241300 step time: 00:00:00.018025 Performance: 502.090 ns/day 0.048 hours/ns 29.056 steps/s 2023-02-20 03:45:33,636 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 59.666 -33637 6539.4 -40177 -40177 7.4678 4.9219 -0.28167 4.1358e+05 2023-02-20 03:45:35,520 INFO [main.py:643]
{rank 0/100} MD step = 241400 step time: 00:00:00.018042 Performance: 502.091 ns/day 0.048 hours/ns 29.056 steps/s 2023-02-20 03:45:36,764 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 59.861 -33583 6560.9 -40144 -40144 7.4709 4.924 -0.28242 4.1375e+05 2023-02-20 03:45:38,772 INFO [main.py:643]
{rank 0/100} MD step = 241500 step time: 00:00:00.017962 Performance: 502.102 ns/day 0.048 hours/ns 29.057 steps/s 2023-02-20 03:45:40,011 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 59.636 -33633 6536.1 -40169 -40169 7.4759 4.9247 -0.28332 4.1393e+05 2023-02-20 03:45:41,932 INFO [main.py:643]
{rank 0/100} MD step = 241600 step time: 00:00:00.018003 Performance: 502.119 ns/day 0.048 hours/ns 29.058 steps/s 2023-02-20 03:45:49,460 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 241600 48320 59.922 -33429 6567.5 -39997 -39997 7.4782 4.9252 -0.2828 4.1414e+05 2023-02-20 03:45:51,439 INFO [main.py:643]
{rank 0/100} MD step = 241700 step time: 00:00:00.017839 Performance: 501.753 ns/day 0.048 hours/ns 29.037 steps/s 2023-02-20 03:45:52,724 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 60.652 -33473 6647.5 -40121 -40121 7.4835 4.9277 -0.28346 4.1429e+05 2023-02-20 03:45:54,609 INFO [main.py:643]
{rank 0/100} MD step = 241800 step time: 00:00:00.018043 Performance: 501.770 ns/day 0.048 hours/ns 29.038 steps/s 2023-02-20 03:45:57,926 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 59.239 -33534 6492.7 -40027 -40027 7.4895 4.9306 -0.28291 4.1443e+05 2023-02-20 03:45:59,747 INFO [main.py:643]
{rank 0/100} MD step = 241900 step time: 00:00:00.018415 Performance: 501.668 ns/day 0.048 hours/ns 29.032 steps/s 2023-02-20 03:46:02,332 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 60.245 -33548 6602.9 -40151 -40151 7.4947 4.9317 -0.2823 4.1462e+05 2023-02-20 03:46:04,204 INFO [main.py:643]
{rank 0/100} MD step = 242000 step time: 00:00:00.017933 Performance: 501.607 ns/day 0.048 hours/ns 29.028 steps/s 2023-02-20 03:46:07,062 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 59.113 -33632 6478.9 -40111 -40111 7.4988 4.9336 -0.28312 4.148e+05 2023-02-20 03:46:08,941 INFO [main.py:643]
{rank 0/100} MD step = 242100 step time: 00:00:00.018107 Performance: 501.529 ns/day 0.048 hours/ns 29.024 steps/s 2023-02-20 03:46:10,327 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 60.12 -33574 6589.2 -40163 -40163 7.5024 4.9343 -0.28219 4.1497e+05 2023-02-20 03:46:12,221 INFO [main.py:643]
{rank 0/100} MD step = 242200 step time: 00:00:00.018223 Performance: 501.539 ns/day 0.048 hours/ns 29.024 steps/s 2023-02-20 03:46:13,432 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 60.563 -33403 6637.7 -40041 -40041 7.5057 4.9361 -0.28158 4.1515e+05 2023-02-20 03:46:15,408 INFO [main.py:643]
{rank 0/100} MD step = 242300 step time: 00:00:00.018016 Performance: 501.554 ns/day 0.048 hours/ns 29.025 steps/s 2023-02-20 03:46:16,798 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 242300 48460 59.759 -33452 6549.7 -40002 -40002 7.5073 4.939 -0.28252 4.1534e+05 2023-02-20 03:46:18,668 INFO [main.py:643]
{rank 0/100} MD step = 242400 step time: 00:00:00.018096 Performance: 501.566 ns/day 0.048 hours/ns 29.026 steps/s 2023-02-20 03:46:20,214 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 59.268 -33572 6495.8 -40068 -40068 7.5104 4.9401 -0.2819 4.1548e+05 2023-02-20 03:46:22,129 INFO [main.py:643]
{rank 0/100} MD step = 242500 step time: 00:00:00.017900 Performance: 501.565 ns/day 0.048 hours/ns 29.026 steps/s 2023-02-20 03:46:23,303 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 60.424 -33563 6622.5 -40185 -40185 7.5123 4.9401 -0.28304 4.1562e+05 2023-02-20 03:46:25,357 INFO [main.py:643]
{rank 0/100} MD step = 242600 step time: 00:00:00.018149 Performance: 501.578 ns/day 0.048 hours/ns 29.026 steps/s 2023-02-20 03:46:26,691 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 59.279 -33573 6497 -40070 -40070 7.5173 4.941 -0.28285 4.1581e+05 2023-02-20 03:46:28,606 INFO [main.py:643]
{rank 0/100} MD step = 242700 step time: 00:00:00.017917 Performance: 501.589 ns/day 0.048 hours/ns 29.027 steps/s 2023-02-20 03:46:29,835 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 59.414 -33626 6511.9 -40138 -40138 7.5203 4.9418 -0.28234 4.1595e+05 2023-02-20 03:46:31,758 INFO [main.py:643]
{rank 0/100} MD step = 242800 step time: 00:00:00.018106 Performance: 501.607 ns/day 0.048 hours/ns 29.028 steps/s 2023-02-20 03:46:33,243 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 60.155 -33540 6593 -40133 -40133 7.524 4.9443 -0.28416 4.1616e+05 2023-02-20 03:46:35,137 INFO [main.py:643]
{rank 0/100} MD step = 242900 step time: 00:00:00.019747 Performance: 501.611 ns/day 0.048 hours/ns 29.028 steps/s 2023-02-20 03:46:36,314 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 59.707 -33591 6543.9 -40135 -40135 7.5285 4.946 -0.28562 4.1633e+05 2023-02-20 03:46:38,280 INFO [main.py:643]
{rank 0/100} MD step = 243000 step time: 00:00:00.018114 Performance: 501.629 ns/day 0.048 hours/ns 29.029 steps/s 2023-02-20 03:46:39,467 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 60.009 -33513 6577.1 -40091 -40091 7.5339 4.9459 -0.2846 4.1651e+05 2023-02-20 03:46:41,400 INFO [main.py:643]
{rank 0/100} MD step = 243100 step time: 00:00:00.017983 Performance: 501.649 ns/day 0.048 hours/ns 29.031 steps/s 2023-02-20 03:46:42,623 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 60.143 -33562 6591.7 -40154 -40154 7.5364 4.9472 -0.28644 4.1665e+05 2023-02-20 03:46:44,521 INFO [main.py:643]
{rank 0/100} MD step = 243200 step time: 00:00:00.018025 Performance: 501.668 ns/day 0.048 hours/ns 29.032 steps/s 2023-02-20 03:46:45,776 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 59.291 -33660 6498.4 -40158 -40158 7.5403 4.9484 -0.28478 4.1681e+05 2023-02-20 03:46:47,656 INFO [main.py:643]
{rank 0/100} MD step = 243300 step time: 00:00:00.020357 Performance: 501.686 ns/day 0.048 hours/ns 29.033 steps/s 2023-02-20 03:46:48,922 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 60.227 -33569 6600.9 -40170 -40170 7.5433 4.9485 -0.28671 4.1701e+05 2023-02-20 03:46:50,860 INFO [main.py:643]
{rank 0/100} MD step = 243400 step time: 00:00:00.017975 Performance: 501.701 ns/day 0.048 hours/ns 29.034 steps/s 2023-02-20 03:46:52,200 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 243400 48680 60.891 -33338 6673.7 -40012 -40012 7.5464 4.95 -0.28756 4.1718e+05 2023-02-20 03:46:54,050 INFO [main.py:643]
{rank 0/100} MD step = 243500 step time: 00:00:00.017997 Performance: 501.716 ns/day 0.048 hours/ns 29.034 steps/s 2023-02-20 03:46:55,275 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 60.476 -33572 6628.3 -40200 -40200 7.5507 4.9481 -0.28695 4.1736e+05 2023-02-20 03:46:57,239 INFO [main.py:643]
{rank 0/100} MD step = 243600 step time: 00:00:00.017947 Performance: 501.731 ns/day 0.048 hours/ns 29.035 steps/s 2023-02-20 03:46:58,511 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 59.383 -33559 6508.5 -40068 -40068 7.557 4.9499 -0.28729 4.1754e+05 2023-02-20 03:47:00,329 INFO [main.py:643]
{rank 0/100} MD step = 243700 step time: 00:00:00.018054 Performance: 501.752 ns/day 0.048 hours/ns 29.037 steps/s 2023-02-20 03:47:01,538 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 59.868 -33519 6561.6 -40080 -40080 7.5604 4.9513 -0.28761 4.1771e+05 2023-02-20 03:47:03,481 INFO [main.py:643]
{rank 0/100} MD step = 243800 step time: 00:00:00.017952 Performance: 501.770 ns/day 0.048 hours/ns 29.038 steps/s 2023-02-20 03:47:04,632 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 59.769 -33633 6550.7 -40183 -40183 7.5652 4.9525 -0.2887 4.1787e+05 2023-02-20 03:47:06,648 INFO [main.py:643]
{rank 0/100} MD step = 243900 step time: 00:00:00.017932 Performance: 501.786 ns/day 0.048 hours/ns 29.039 steps/s 2023-02-20 03:47:08,075 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 243900 48780 60.495 -33640 6630.3 -40270 -40270 7.5689 4.9535 -0.28702 4.1804e+05 2023-02-20 03:47:09,915 INFO [main.py:643]
{rank 0/100} MD step = 244000 step time: 00:00:00.017806 Performance: 501.797 ns/day 0.048 hours/ns 29.039 steps/s 2023-02-20 03:47:11,111 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 59.915 -33556 6566.8 -40123 -40123 7.5749 4.9533 -0.28634 4.1825e+05 2023-02-20 03:47:13,017 INFO [main.py:643]
{rank 0/100} MD step = 244100 step time: 00:00:00.018024 Performance: 501.817 ns/day 0.048 hours/ns 29.040 steps/s 2023-02-20 03:47:14,264 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 244100 48820 60.068 -33657 6583.5 -40240 -40240 7.5799 4.9549 -0.28501 4.184e+05 2023-02-20 03:47:16,349 INFO [main.py:643]
{rank 0/100} MD step = 244200 step time: 00:00:00.018151 Performance: 501.824 ns/day 0.048 hours/ns 29.041 steps/s 2023-02-20 03:47:17,670 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 244200 48840 60.557 -33550 6637.1 -40187 -40187 7.5816 4.9581 -0.28411 4.1855e+05 2023-02-20 03:47:19,515 INFO [main.py:643]
{rank 0/100} MD step = 244300 step time: 00:00:00.017973 Performance: 501.841 ns/day 0.048 hours/ns 29.042 steps/s 2023-02-20 03:47:20,750 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 244300 48860 60.106 -33482 6587.7 -40070 -40070 7.5852 4.9594 -0.28562 4.1873e+05 2023-02-20 03:47:22,629 INFO [main.py:643]
{rank 0/100} MD step = 244400 step time: 00:00:00.018590 Performance: 501.860 ns/day 0.048 hours/ns 29.043 steps/s 2023-02-20 03:47:24,297 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 60.155 -33561 6593.1 -40154 -40154 7.5888 4.9601 -0.28604 4.1889e+05 2023-02-20 03:47:26,210 INFO [main.py:643]
{rank 0/100} MD step = 244500 step time: 00:00:00.017885 Performance: 501.852 ns/day 0.048 hours/ns 29.042 steps/s 2023-02-20 03:47:27,497 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 59.76 -33634 6549.8 -40184 -40184 7.5948 4.961 -0.28665 4.1906e+05 2023-02-20 03:47:29,328 INFO [main.py:643]
{rank 0/100} MD step = 244600 step time: 00:00:00.018326 Performance: 501.871 ns/day 0.048 hours/ns 29.043 steps/s 2023-02-20 03:47:30,648 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 59.834 -33513 6557.9 -40070 -40070 7.598 4.962 -0.28562 4.1929e+05 2023-02-20 03:47:32,518 INFO [main.py:643]
{rank 0/100} MD step = 244700 step time: 00:00:00.018000 Performance: 501.887 ns/day 0.048 hours/ns 29.044 steps/s 2023-02-20 03:47:33,789 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 60.049 -33520 6581.5 -40101 -40101 7.6023 4.9623 -0.28682 4.1942e+05 2023-02-20 03:47:35,693 INFO [main.py:643]
{rank 0/100} MD step = 244800 step time: 00:00:00.018235 Performance: 501.902 ns/day 0.048 hours/ns 29.045 steps/s 2023-02-20 03:47:36,909 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 244800 48960 59.158 -33722 6483.8 -40206 -40206 7.6088 4.9641 -0.28648 4.1956e+05 2023-02-20 03:47:38,858 INFO [main.py:643]
{rank 0/100} MD step = 244900 step time: 00:00:00.017938 Performance: 501.919 ns/day 0.048 hours/ns 29.046 steps/s 2023-02-20 03:47:40,985 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 60.443 -33462 6624.6 -40086 -40086 7.6136 4.9653 -0.28642 4.1975e+05 2023-02-20 03:47:42,945 INFO [main.py:643]
{rank 0/100} MD step = 245000 step time: 00:00:00.017877 Performance: 501.881 ns/day 0.048 hours/ns 29.044 steps/s 2023-02-20 03:47:44,090 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 59.927 -33592 6568.1 -40160 -40160 7.6227 4.9666 -0.28874 4.1989e+05 2023-02-20 03:47:46,073 INFO [main.py:643]
{rank 0/100} MD step = 245100 step time: 00:00:00.018460 Performance: 501.899 ns/day 0.048 hours/ns 29.045 steps/s 2023-02-20 03:47:47,256 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 61.132 -33336 6700.1 -40036 -40036 7.625 4.9682 -0.28773 4.2008e+05 2023-02-20 03:47:49,196 INFO [main.py:643]
{rank 0/100} MD step = 245200 step time: 00:00:00.018088 Performance: 501.918 ns/day 0.048 hours/ns 29.046 steps/s 2023-02-20 03:47:51,686 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 58.529 -33727 6414.8 -40142 -40142 7.6332 4.9684 -0.2885 4.2025e+05 2023-02-20 03:47:53,780 INFO [main.py:643]
{rank 0/100} MD step = 245300 step time: 00:00:00.018021 Performance: 501.851 ns/day 0.048 hours/ns 29.042 steps/s 2023-02-20 03:47:55,307 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 245300 49060 59.257 -33694 6494.6 -40189 -40189 7.6381 4.9693 -0.28851 4.2043e+05 2023-02-20 03:47:57,134 INFO [main.py:643]
{rank 0/100} MD step = 245400 step time: 00:00:00.017936 Performance: 501.856 ns/day 0.048 hours/ns 29.043 steps/s 2023-02-20 03:48:00,866 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 60.453 -33488 6625.8 -40114 -40114 7.6401 4.9702 -0.28657 4.2059e+05 2023-02-20 03:48:02,680 INFO [main.py:643]
{rank 0/100} MD step = 245500 step time: 00:00:00.018310 Performance: 501.731 ns/day 0.048 hours/ns 29.035 steps/s 2023-02-20 03:48:05,530 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 59.883 -33658 6563.2 -40221 -40221 7.6445 4.9719 -0.28676 4.2077e+05 2023-02-20 03:48:09,114 INFO [main.py:643]
{rank 0/100} MD step = 245600 step time: 00:00:00.019826 Performance: 501.554 ns/day 0.048 hours/ns 29.025 steps/s 2023-02-20 03:48:10,668 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 60.377 -33468 6617.4 -40085 -40085 7.6508 4.9733 -0.28637 4.2093e+05 2023-02-20 03:48:12,563 INFO [main.py:643]
{rank 0/100} MD step = 245700 step time: 00:00:00.018510 Performance: 501.554 ns/day 0.048 hours/ns 29.025 steps/s 2023-02-20 03:48:13,866 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 60.499 -33472 6630.8 -40103 -40103 7.654 4.9756 -0.28798 4.2114e+05 2023-02-20 03:48:15,690 INFO [main.py:643]
{rank 0/100} MD step = 245800 step time: 00:00:00.018145 Performance: 501.572 ns/day 0.048 hours/ns 29.026 steps/s 2023-02-20 03:48:16,878 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 59.659 -33521 6538.7 -40059 -40059 7.6601 4.9766 -0.28937 4.2131e+05 2023-02-20 03:48:18,817 INFO [main.py:643]
{rank 0/100} MD step = 245900 step time: 00:00:00.017939 Performance: 501.591 ns/day 0.048 hours/ns 29.027 steps/s 2023-02-20 03:48:20,011 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 59.484 -33545 6519.5 -40065 -40065 7.6648 4.9777 -0.28888 4.2152e+05 2023-02-20 03:48:21,944 INFO [main.py:643]
{rank 0/100} MD step = 246000 step time: 00:00:00.018117 Performance: 501.610 ns/day 0.048 hours/ns 29.028 steps/s 2023-02-20 03:48:23,162 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 59.46 -33662 6516.9 -40179 -40179 7.6703 4.9768 -0.28928 4.217e+05 2023-02-20 03:48:25,042 INFO [main.py:643]
{rank 0/100} MD step = 246100 step time: 00:00:00.018061 Performance: 501.631 ns/day 0.048 hours/ns 29.030 steps/s 2023-02-20 03:48:26,169 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 60.018 -33586 6578.1 -40164 -40164 7.674 4.9785 -0.29053 4.2186e+05 2023-02-20 03:48:28,161 INFO [main.py:643]
{rank 0/100} MD step = 246200 step time: 00:00:00.018031 Performance: 501.650 ns/day 0.048 hours/ns 29.031 steps/s 2023-02-20 03:48:29,468 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 59.616 -33477 6533.9 -40011 -40011 7.6775 4.9791 -0.29053 4.2203e+05 2023-02-20 03:48:31,281 INFO [main.py:643]
{rank 0/100} MD step = 246300 step time: 00:00:00.018501 Performance: 501.669 ns/day 0.048 hours/ns 29.032 steps/s 2023-02-20 03:48:32,536 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 58.579 -33731 6420.3 -40151 -40151 7.6812 4.9799 -0.29065 4.222e+05 2023-02-20 03:48:34,433 INFO [main.py:643]
{rank 0/100} MD step = 246400 step time: 00:00:00.017900 Performance: 501.686 ns/day 0.048 hours/ns 29.033 steps/s 2023-02-20 03:48:35,859 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 246400 49280 60.354 -33572 6614.8 -40187 -40187 7.6863 4.9792 -0.29276 4.2237e+05 2023-02-20 03:48:37,697 INFO [main.py:643]
{rank 0/100} MD step = 246500 step time: 00:00:00.018079 Performance: 501.697 ns/day 0.048 hours/ns 29.033 steps/s 2023-02-20 03:48:38,936 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 60.641 -33395 6646.4 -40041 -40041 7.6883 4.9807 -0.29409 4.2253e+05 2023-02-20 03:48:40,788 INFO [main.py:643]
{rank 0/100} MD step = 246600 step time: 00:00:00.019373 Performance: 501.718 ns/day 0.048 hours/ns 29.035 steps/s 2023-02-20 03:48:42,125 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 246600 49320 59.625 -33638 6535 -40173 -40173 7.6953 4.9846 -0.29308 4.227e+05 2023-02-20 03:48:44,012 INFO [main.py:643]
{rank 0/100} MD step = 246700 step time: 00:00:00.018065 Performance: 501.731 ns/day 0.048 hours/ns 29.035 steps/s 2023-02-20 03:48:45,252 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 60.21 -33617 6599.1 -40216 -40216 7.7009 4.9861 -0.29529 4.2288e+05 2023-02-20 03:48:47,137 INFO [main.py:643]
{rank 0/100} MD step = 246800 step time: 00:00:00.018007 Performance: 501.750 ns/day 0.048 hours/ns 29.036 steps/s 2023-02-20 03:48:48,367 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 59.696 -33529 6542.7 -40071 -40071 7.7034 4.9899 -0.29541 4.2308e+05 2023-02-20 03:48:50,213 INFO [main.py:643]
{rank 0/100} MD step = 246900 step time: 00:00:00.017911 Performance: 501.771 ns/day 0.048 hours/ns 29.038 steps/s 2023-02-20 03:48:51,491 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 59.404 -33754 6510.7 -40264 -40264 7.7082 4.9922 -0.29607 4.2321e+05 2023-02-20 03:48:53,290 INFO [main.py:643]
{rank 0/100} MD step = 247000 step time: 00:00:00.018266 Performance: 501.793 ns/day 0.048 hours/ns 29.039 steps/s 2023-02-20 03:48:54,563 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 59.443 -33717 6515.1 -40232 -40232 7.7135 4.9943 -0.29689 4.2336e+05 2023-02-20 03:48:56,448 INFO [main.py:643]
{rank 0/100} MD step = 247100 step time: 00:00:00.018251 Performance: 501.810 ns/day 0.048 hours/ns 29.040 steps/s 2023-02-20 03:48:57,606 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 59.815 -33518 6555.8 -40074 -40074 7.7202 4.9972 -0.29804 4.2357e+05 2023-02-20 03:48:59,572 INFO [main.py:643]
{rank 0/100} MD step = 247200 step time: 00:00:00.018012 Performance: 501.829 ns/day 0.048 hours/ns 29.041 steps/s 2023-02-20 03:49:00,825 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 60.08 -33493 6584.9 -40078 -40078 7.726 4.9974 -0.29767 4.2372e+05 2023-02-20 03:49:02,652 INFO [main.py:643]
{rank 0/100} MD step = 247300 step time: 00:00:00.017984 Performance: 501.850 ns/day 0.048 hours/ns 29.042 steps/s 2023-02-20 03:49:03,910 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 59.876 -33511 6562.5 -40073 -40073 7.7309 4.999 -0.29722 4.239e+05 2023-02-20 03:49:05,769 INFO [main.py:643]
{rank 0/100} MD step = 247400 step time: 00:00:00.018229 Performance: 501.869 ns/day 0.048 hours/ns 29.043 steps/s 2023-02-20 03:49:07,019 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 60.388 -33530 6618.6 -40149 -40149 7.7375 5.0024 -0.29588 4.2407e+05 2023-02-20 03:49:08,937 INFO [main.py:643]
{rank 0/100} MD step = 247500 step time: 00:00:00.017812 Performance: 501.886 ns/day 0.048 hours/ns 29.044 steps/s 2023-02-20 03:49:10,105 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 59.282 -33567 6497.4 -40065 -40065 7.7419 5.0036 -0.29762 4.243e+05 2023-02-20 03:49:12,054 INFO [main.py:643]
{rank 0/100} MD step = 247600 step time: 00:00:00.018743 Performance: 501.905 ns/day 0.048 hours/ns 29.045 steps/s 2023-02-20 03:49:13,287 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 59.512 -33755 6522.6 -40278 -40278 7.7443 5.006 -0.29666 4.2442e+05 2023-02-20 03:49:15,157 INFO [main.py:643]
{rank 0/100} MD step = 247700 step time: 00:00:00.018063 Performance: 501.925 ns/day 0.048 hours/ns 29.047 steps/s 2023-02-20 03:49:16,455 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 59.845 -33507 6559 -40066 -40066 7.7502 5.0082 -0.29598 4.246e+05 2023-02-20 03:49:18,334 INFO [main.py:643]
{rank 0/100} MD step = 247800 step time: 00:00:00.018010 Performance: 501.940 ns/day 0.048 hours/ns 29.047 steps/s 2023-02-20 03:49:19,766 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 60.163 -33513 6594 -40107 -40107 7.755 5.0091 -0.2955 4.2477e+05 2023-02-20 03:49:21,634 INFO [main.py:643]
{rank 0/100} MD step = 247900 step time: 00:00:00.018283 Performance: 501.949 ns/day 0.048 hours/ns 29.048 steps/s 2023-02-20 03:49:23,110 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 60.232 -33398 6601.5 -39999 -39999 7.759 5.0113 -0.29472 4.2494e+05 2023-02-20 03:49:25,067 INFO [main.py:643]
{rank 0/100} MD step = 248000 step time: 00:00:00.017943 Performance: 501.949 ns/day 0.048 hours/ns 29.048 steps/s 2023-02-20 03:49:26,369 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 59.552 -33724 6526.9 -40251 -40251 7.7648 5.0116 -0.29477 4.251e+05 2023-02-20 03:49:28,317 INFO [main.py:643]
{rank 0/100} MD step = 248100 step time: 00:00:00.018641 Performance: 501.961 ns/day 0.048 hours/ns 29.049 steps/s 2023-02-20 03:49:29,751 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 60.18 -33588 6595.8 -40184 -40184 7.7695 5.0136 -0.29489 4.253e+05 2023-02-20 03:49:31,622 INFO [main.py:643]
{rank 0/100} MD step = 248200 step time: 00:00:00.018631 Performance: 501.969 ns/day 0.048 hours/ns 29.049 steps/s 2023-02-20 03:49:32,874 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 60.106 -33467 6587.7 -40054 -40054 7.7738 5.0154 -0.2972 4.2546e+05 2023-02-20 03:49:34,811 INFO [main.py:643]
{rank 0/100} MD step = 248300 step time: 00:00:00.018093 Performance: 501.984 ns/day 0.048 hours/ns 29.050 steps/s 2023-02-20 03:49:35,687 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 59.811 -33533 6555.4 -40088 -40088 7.7792 5.0171 -0.29656 4.2564e+05 2023-02-20 03:49:38,075 INFO [main.py:643]
{rank 0/100} MD step = 248400 step time: 00:00:00.018081 Performance: 501.994 ns/day 0.048 hours/ns 29.051 steps/s 2023-02-20 03:49:39,545 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 248400 49680 59.534 -33687 6525.1 -40212 -40212 7.7841 5.0171 -0.29711 4.2578e+05 2023-02-20 03:49:41,356 INFO [main.py:643]
{rank 0/100} MD step = 248500 step time: 00:00:00.017998 Performance: 502.004 ns/day 0.048 hours/ns 29.051 steps/s 2023-02-20 03:49:42,677 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 60.18 -33537 6595.8 -40133 -40133 7.789 5.0184 -0.29791 4.2594e+05 2023-02-20 03:49:44,504 INFO [main.py:643]
{rank 0/100} MD step = 248600 step time: 00:00:00.018047 Performance: 502.021 ns/day 0.048 hours/ns 29.052 steps/s 2023-02-20 03:49:45,770 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 60.513 -33535 6632.3 -40167 -40167 7.7958 5.0194 -0.29851 4.261e+05 2023-02-20 03:49:47,735 INFO [main.py:643]
{rank 0/100} MD step = 248700 step time: 00:00:00.017928 Performance: 502.033 ns/day 0.048 hours/ns 29.053 steps/s 2023-02-20 03:49:49,137 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 60.082 -33509 6585.1 -40094 -40094 7.8007 5.0201 -0.29764 4.2629e+05 2023-02-20 03:49:50,979 INFO [main.py:643]
{rank 0/100} MD step = 248800 step time: 00:00:00.018089 Performance: 502.045 ns/day 0.048 hours/ns 29.054 steps/s 2023-02-20 03:49:52,383 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 60.891 -33426 6673.7 -40100 -40100 7.8049 5.0201 -0.29708 4.2644e+05 2023-02-20 03:49:54,237 INFO [main.py:643]
{rank 0/100} MD step = 248900 step time: 00:00:00.018200 Performance: 502.056 ns/day 0.048 hours/ns 29.054 steps/s 2023-02-20 03:49:55,569 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 60.38 -33617 6617.7 -40235 -40235 7.8068 5.0223 -0.29655 4.2662e+05 2023-02-20 03:49:57,488 INFO [main.py:643]
{rank 0/100} MD step = 249000 step time: 00:00:00.018373 Performance: 502.067 ns/day 0.048 hours/ns 29.055 steps/s 2023-02-20 03:49:58,822 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 61.089 -33448 6695.5 -40143 -40143 7.8118 5.022 -0.29605 4.2679e+05 2023-02-20 03:50:00,650 INFO [main.py:643]
{rank 0/100} MD step = 249100 step time: 00:00:00.017977 Performance: 502.083 ns/day 0.048 hours/ns 29.056 steps/s 2023-02-20 03:50:01,936 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 60.078 -33628 6584.6 -40213 -40213 7.8179 5.0245 -0.29745 4.2695e+05 2023-02-20 03:50:03,778 INFO [main.py:643]
{rank 0/100} MD step = 249200 step time: 00:00:00.018093 Performance: 502.102 ns/day 0.048 hours/ns 29.057 steps/s 2023-02-20 03:50:05,166 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 60.843 -33556 6668.5 -40225 -40225 7.8241 5.0267 -0.29904 4.271e+05 2023-02-20 03:50:07,061 INFO [main.py:643]
{rank 0/100} MD step = 249300 step time: 00:00:00.018208 Performance: 502.111 ns/day 0.048 hours/ns 29.057 steps/s 2023-02-20 03:50:08,414 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 59.745 -33668 6548.2 -40217 -40217 7.8272 5.0279 -0.29797 4.2724e+05 2023-02-20 03:50:10,266 INFO [main.py:643]
{rank 0/100} MD step = 249400 step time: 00:00:00.017968 Performance: 502.125 ns/day 0.048 hours/ns 29.058 steps/s 2023-02-20 03:50:11,458 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 60.892 -33506 6673.8 -40180 -40180 7.833 5.0306 -0.29762 4.2743e+05 2023-02-20 03:50:13,403 INFO [main.py:643]
{rank 0/100} MD step = 249500 step time: 00:00:00.018072 Performance: 502.142 ns/day 0.048 hours/ns 29.059 steps/s 2023-02-20 03:50:14,741 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 60.217 -33521 6599.9 -40121 -40121 7.8364 5.033 -0.29804 4.2758e+05 2023-02-20 03:50:16,587 INFO [main.py:643]
{rank 0/100} MD step = 249600 step time: 00:00:00.018045 Performance: 502.158 ns/day 0.048 hours/ns 29.060 steps/s 2023-02-20 03:50:17,830 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 249600 49920 59.875 -33651 6562.4 -40213 -40213 7.8409 5.0341 -0.29735 4.2772e+05 2023-02-20 03:50:19,738 INFO [main.py:643]
{rank 0/100} MD step = 249700 step time: 00:00:00.017810 Performance: 502.174 ns/day 0.048 hours/ns 29.061 steps/s 2023-02-20 03:50:20,982 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 249700 49940 61.168 -33623 6704.1 -40327 -40327 7.8448 5.0362 -0.2973 4.2791e+05 2023-02-20 03:50:22,911 INFO [main.py:643]
{rank 0/100} MD step = 249800 step time: 00:00:00.018273 Performance: 502.190 ns/day 0.048 hours/ns 29.062 steps/s 2023-02-20 03:50:24,319 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 60.59 -33431 6640.7 -40072 -40072 7.8504 5.0371 -0.29842 4.2811e+05 2023-02-20 03:50:26,235 INFO [main.py:643]
{rank 0/100} MD step = 249900 step time: 00:00:00.017970 Performance: 502.197 ns/day 0.048 hours/ns 29.062 steps/s 2023-02-20 03:50:27,717 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 60.92 -33491 6677 -40168 -40168 7.858 5.0377 -0.29899 4.2825e+05 2023-02-20 03:50:29,535 INFO [main.py:643]
{rank 0/100} MD step = 250000 step time: 00:00:00.018128 Performance: 502.205 ns/day 0.048 hours/ns 29.063 steps/s 2023-02-20 03:50:30,986 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 59.629 -33605 6535.4 -40141 -40141 7.862 5.0401 -0.29915 4.2846e+05 2023-02-20 03:50:32,865 INFO [main.py:643]
{rank 0/100} MD step = 250100 step time: 00:00:00.018131 Performance: 502.212 ns/day 0.048 hours/ns 29.063 steps/s 2023-02-20 03:50:34,046 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 60.894 -33488 6674.1 -40162 -40162 7.8648 5.0409 -0.30013 4.2864e+05 2023-02-20 03:50:35,951 INFO [main.py:643]
{rank 0/100} MD step = 250200 step time: 00:00:00.018351 Performance: 502.232 ns/day 0.048 hours/ns 29.064 steps/s 2023-02-20 03:50:37,165 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 60.912 -33296 6676 -39972 -39972 7.8705 5.041 -0.30217 4.2885e+05 2023-02-20 03:50:39,071 INFO [main.py:643]
{rank 0/100} MD step = 250300 step time: 00:00:00.018032 Performance: 502.251 ns/day 0.048 hours/ns 29.065 steps/s 2023-02-20 03:50:40,401 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 250300 50060 60.148 -33642 6592.2 -40234 -40234 7.8747 5.041 -0.30268 4.2898e+05 2023-02-20 03:50:42,345 INFO [main.py:643]
{rank 0/100} MD step = 250400 step time: 00:00:00.017999 Performance: 502.261 ns/day 0.048 hours/ns 29.066 steps/s 2023-02-20 03:50:43,673 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 58.863 -33761 6451.5 -40213 -40213 7.8795 5.0418 -0.30447 4.2915e+05 2023-02-20 03:50:45,550 INFO [main.py:643]
{rank 0/100} MD step = 250500 step time: 00:00:00.017960 Performance: 502.275 ns/day 0.048 hours/ns 29.067 steps/s 2023-02-20 03:50:47,134 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 60.499 -33596 6630.8 -40227 -40227 7.8839 5.0428 -0.30497 4.2931e+05 2023-02-20 03:50:49,086 INFO [main.py:643]
{rank 0/100} MD step = 250600 step time: 00:00:00.018001 Performance: 502.269 ns/day 0.048 hours/ns 29.066 steps/s 2023-02-20 03:50:50,930 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 250600 50120 59.15 -33590 6482.9 -40073 -40073 7.8893 5.0449 -0.30617 4.2952e+05 2023-02-20 03:50:52,873 INFO [main.py:643]
{rank 0/100} MD step = 250700 step time: 00:00:00.018384 Performance: 502.249 ns/day 0.048 hours/ns 29.065 steps/s 2023-02-20 03:50:54,150 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 59.6 -33668 6532.3 -40201 -40201 7.8953 5.047 -0.30323 4.2967e+05 2023-02-20 03:50:56,099 INFO [main.py:643]
{rank 0/100} MD step = 250800 step time: 00:00:00.018086 Performance: 502.261 ns/day 0.048 hours/ns 29.066 steps/s 2023-02-20 03:50:57,274 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 60.152 -33652 6592.7 -40245 -40245 7.8996 5.0479 -0.30223 4.2987e+05 2023-02-20 03:50:59,223 INFO [main.py:643]
{rank 0/100} MD step = 250900 step time: 00:00:00.018361 Performance: 502.280 ns/day 0.048 hours/ns 29.067 steps/s 2023-02-20 03:51:00,568 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 59.649 -33662 6537.7 -40199 -40199 7.9025 5.0495 -0.3024 4.3003e+05 2023-02-20 03:51:02,407 INFO [main.py:643]
{rank 0/100} MD step = 251000 step time: 00:00:00.018546 Performance: 502.295 ns/day 0.048 hours/ns 29.068 steps/s 2023-02-20 03:51:03,649 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 251000 50200 60.764 -33507 6659.8 -40167 -40167 7.9085 5.0514 -0.30059 4.3019e+05 2023-02-20 03:51:05,571 INFO [main.py:643]
{rank 0/100} MD step = 251100 step time: 00:00:00.018056 Performance: 502.311 ns/day 0.048 hours/ns 29.069 steps/s 2023-02-20 03:51:06,810 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 59.538 -33632 6525.4 -40158 -40158 7.9143 5.053 -0.30024 4.3035e+05 2023-02-20 03:51:08,821 INFO [main.py:643]
{rank 0/100} MD step = 251200 step time: 00:00:00.018110 Performance: 502.322 ns/day 0.048 hours/ns 29.070 steps/s 2023-02-20 03:51:10,069 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 59.792 -33582 6553.3 -40136 -40136 7.917 5.0559 -0.30011 4.3054e+05 2023-02-20 03:51:12,043 INFO [main.py:643]
{rank 0/100} MD step = 251300 step time: 00:00:00.017858 Performance: 502.334 ns/day 0.048 hours/ns 29.070 steps/s 2023-02-20 03:51:13,652 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 59.21 -33664 6489.5 -40154 -40154 7.9217 5.0566 -0.29937 4.3071e+05 2023-02-20 03:51:15,562 INFO [main.py:643]
{rank 0/100} MD step = 251400 step time: 00:00:00.018006 Performance: 502.330 ns/day 0.048 hours/ns 29.070 steps/s 2023-02-20 03:51:16,867 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 251400 50280 59.789 -33575 6552.9 -40128 -40128 7.9259 5.0574 -0.29731 4.3089e+05 2023-02-20 03:51:18,700 INFO [main.py:643]
{rank 0/100} MD step = 251500 step time: 00:00:00.018163 Performance: 502.347 ns/day 0.048 hours/ns 29.071 steps/s 2023-02-20 03:51:19,965 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 60.222 -33478 6600.4 -40078 -40078 7.9316 5.0596 -0.29588 4.3107e+05 2023-02-20 03:51:21,787 INFO [main.py:643]
{rank 0/100} MD step = 251600 step time: 00:00:00.017956 Performance: 502.368 ns/day 0.048 hours/ns 29.072 steps/s 2023-02-20 03:51:23,966 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 59.767 -33372 6550.6 -39922 -39922 7.9368 5.0622 -0.29503 4.3129e+05 2023-02-20 03:51:25,815 INFO [main.py:643]
{rank 0/100} MD step = 251700 step time: 00:00:00.017951 Performance: 502.334 ns/day 0.048 hours/ns 29.070 steps/s 2023-02-20 03:51:29,157 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 60.181 -33523 6596 -40119 -40119 7.9401 5.0639 -0.2955 4.3144e+05 2023-02-20 03:51:31,094 INFO [main.py:643]
{rank 0/100} MD step = 251800 step time: 00:00:00.018079 Performance: 502.227 ns/day 0.048 hours/ns 29.064 steps/s 2023-02-20 03:51:32,380 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 59.199 -33519 6488.3 -40008 -40008 7.9437 5.067 -0.2949 4.3163e+05 2023-02-20 03:51:34,217 INFO [main.py:643]
{rank 0/100} MD step = 251900 step time: 00:00:00.017892 Performance: 502.245 ns/day 0.048 hours/ns 29.065 steps/s 2023-02-20 03:51:35,664 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 59.971 -33447 6572.9 -40020 -40020 7.9493 5.069 -0.296 4.318e+05 2023-02-20 03:51:37,467 INFO [main.py:643]
{rank 0/100} MD step = 252000 step time: 00:00:00.018190 Performance: 502.256 ns/day 0.048 hours/ns 29.066 steps/s 2023-02-20 03:51:38,847 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 59.798 -33566 6553.9 -40119 -40119 7.9529 5.0717 -0.29522 4.3197e+05 2023-02-20 03:51:40,692 INFO [main.py:643]
{rank 0/100} MD step = 252100 step time: 00:00:00.019870 Performance: 502.269 ns/day 0.048 hours/ns 29.066 steps/s 2023-02-20 03:51:41,868 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 60.232 -33576 6601.5 -40178 -40178 7.9558 5.0734 -0.29617 4.3212e+05 2023-02-20 03:51:43,800 INFO [main.py:643]
{rank 0/100} MD step = 252200 step time: 00:00:00.018042 Performance: 502.288 ns/day 0.048 hours/ns 29.068 steps/s 2023-02-20 03:51:45,209 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 59.726 -33682 6546.1 -40228 -40228 7.9604 5.0759 -0.29474 4.3229e+05 2023-02-20 03:51:47,073 INFO [main.py:643]
{rank 0/100} MD step = 252300 step time: 00:00:00.018335 Performance: 502.298 ns/day 0.048 hours/ns 29.068 steps/s 2023-02-20 03:51:48,301 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 59.483 -33617 6519.4 -40137 -40137 7.967 5.0781 -0.29345 4.3248e+05 2023-02-20 03:51:50,649 INFO [main.py:643]
{rank 0/100} MD step = 252400 step time: 00:00:00.018182 Performance: 502.290 ns/day 0.048 hours/ns 29.068 steps/s 2023-02-20 03:51:51,878 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 252400 50480 59.25 -33629 6493.9 -40123 -40123 7.9719 5.0791 -0.29284 4.3267e+05 2023-02-20 03:51:53,832 INFO [main.py:643]
{rank 0/100} MD step = 252500 step time: 00:00:00.018105 Performance: 502.305 ns/day 0.048 hours/ns 29.069 steps/s 2023-02-20 03:51:56,534 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 252500 50500 59.557 -33594 6527.5 -40121 -40121 7.9763 5.0812 -0.29409 4.3281e+05 2023-02-20 03:51:58,453 INFO [main.py:643]
{rank 0/100} MD step = 252600 step time: 00:00:00.018185 Performance: 502.237 ns/day 0.048 hours/ns 29.065 steps/s 2023-02-20 03:52:00,958 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 60.469 -33542 6627.4 -40169 -40169 7.9839 5.085 -0.29545 4.3299e+05 2023-02-20 03:52:02,883 INFO [main.py:643]
{rank 0/100} MD step = 252700 step time: 00:00:00.018133 Performance: 502.179 ns/day 0.048 hours/ns 29.061 steps/s 2023-02-20 03:52:04,257 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 252700 50540 59.241 -33612 6492.9 -40105 -40105 7.9895 5.0854 -0.29441 4.3317e+05 2023-02-20 03:52:06,071 INFO [main.py:643]
{rank 0/100} MD step = 252800 step time: 00:00:00.018097 Performance: 502.194 ns/day 0.048 hours/ns 29.062 steps/s 2023-02-20 03:52:07,321 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 60.757 -33528 6659 -40187 -40187 7.9934 5.0881 -0.29495 4.333e+05 2023-02-20 03:52:09,254 INFO [main.py:643]
{rank 0/100} MD step = 252900 step time: 00:00:00.018046 Performance: 502.209 ns/day 0.048 hours/ns 29.063 steps/s 2023-02-20 03:52:10,475 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 252900 50580 60.19 -33630 6596.9 -40227 -40227 7.9998 5.0889 -0.29431 4.335e+05 2023-02-20 03:52:12,358 INFO [main.py:643]
{rank 0/100} MD step = 253000 step time: 00:00:00.018261 Performance: 502.228 ns/day 0.048 hours/ns 29.064 steps/s 2023-02-20 03:52:13,465 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 253000 50600 60.491 -33543 6629.9 -40173 -40173 8.0049 5.0902 -0.29374 4.3368e+05 2023-02-20 03:52:15,439 INFO [main.py:643]
{rank 0/100} MD step = 253100 step time: 00:00:00.018042 Performance: 502.249 ns/day 0.048 hours/ns 29.065 steps/s 2023-02-20 03:52:16,570 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 60.165 -33588 6594.2 -40182 -40182 8.0075 5.0921 -0.29393 4.3385e+05 2023-02-20 03:52:18,539 INFO [main.py:643]
{rank 0/100} MD step = 253200 step time: 00:00:00.017921 Performance: 502.269 ns/day 0.048 hours/ns 29.066 steps/s 2023-02-20 03:52:19,849 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 59.815 -33577 6555.7 -40133 -40133 8.0114 5.0942 -0.29506 4.3404e+05 2023-02-20 03:52:21,673 INFO [main.py:643]
{rank 0/100} MD step = 253300 step time: 00:00:00.018193 Performance: 502.286 ns/day 0.048 hours/ns 29.068 steps/s 2023-02-20 03:52:22,898 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 60.111 -33623 6588.3 -40211 -40211 8.017 5.098 -0.29677 4.3419e+05 2023-02-20 03:52:24,801 INFO [main.py:643]
{rank 0/100} MD step = 253400 step time: 00:00:00.018239 Performance: 502.304 ns/day 0.048 hours/ns 29.069 steps/s 2023-02-20 03:52:25,956 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 253400 50680 59.006 -33636 6467.1 -40103 -40103 8.0218 5.0997 -0.29712 4.3437e+05 2023-02-20 03:52:27,861 INFO [main.py:643]
{rank 0/100} MD step = 253500 step time: 00:00:00.018065 Performance: 502.326 ns/day 0.048 hours/ns 29.070 steps/s 2023-02-20 03:52:29,133 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 60.078 -33552 6584.6 -40137 -40137 8.0269 5.1015 -0.29834 4.3454e+05 2023-02-20 03:52:31,060 INFO [main.py:643]
{rank 0/100} MD step = 253600 step time: 00:00:00.018492 Performance: 502.340 ns/day 0.048 hours/ns 29.071 steps/s 2023-02-20 03:52:32,468 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 59.558 -33659 6527.6 -40187 -40187 8.0318 5.1033 -0.29882 4.3467e+05 2023-02-20 03:52:34,284 INFO [main.py:643]
{rank 0/100} MD step = 253700 step time: 00:00:00.018058 Performance: 502.353 ns/day 0.048 hours/ns 29.071 steps/s 2023-02-20 03:52:35,035 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 59.11 -33617 6478.6 -40096 -40096 8.0383 5.1046 -0.29861 4.3486e+05 2023-02-20 03:52:37,358 INFO [main.py:643]
{rank 0/100} MD step = 253800 step time: 00:00:00.017917 Performance: 502.374 ns/day 0.048 hours/ns 29.073 steps/s 2023-02-20 03:52:38,676 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 60.38 -33511 6617.7 -40129 -40129 8.0401 5.1066 -0.29977 4.35e+05 2023-02-20 03:52:40,523 INFO [main.py:643]
{rank 0/100} MD step = 253900 step time: 00:00:00.018278 Performance: 502.389 ns/day 0.048 hours/ns 29.073 steps/s 2023-02-20 03:52:41,858 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 60.539 -33456 6635.1 -40091 -40091 8.0439 5.1085 -0.30028 4.3519e+05 2023-02-20 03:52:43,662 INFO [main.py:643]
{rank 0/100} MD step = 254000 step time: 00:00:00.018069 Performance: 502.407 ns/day 0.048 hours/ns 29.074 steps/s 2023-02-20 03:52:44,878 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 60.627 -33468 6644.8 -40113 -40113 8.0488 5.1095 -0.30101 4.3532e+05 2023-02-20 03:52:46,849 INFO [main.py:643]
{rank 0/100} MD step = 254100 step time: 00:00:00.018156 Performance: 502.421 ns/day 0.048 hours/ns 29.075 steps/s 2023-02-20 03:52:48,034 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 60.658 -33480 6648.2 -40129 -40129 8.0525 5.1095 -0.30131 4.3549e+05 2023-02-20 03:52:49,927 INFO [main.py:643]
{rank 0/100} MD step = 254200 step time: 00:00:00.018002 Performance: 502.442 ns/day 0.048 hours/ns 29.077 steps/s 2023-02-20 03:52:51,120 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 59.646 -33561 6537.3 -40098 -40098 8.0592 5.1115 -0.3007 4.3567e+05 2023-02-20 03:52:53,043 INFO [main.py:643]
{rank 0/100} MD step = 254300 step time: 00:00:00.018171 Performance: 502.461 ns/day 0.048 hours/ns 29.078 steps/s 2023-02-20 03:52:54,357 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 60.238 -33502 6602.2 -40104 -40104 8.0662 5.1111 -0.30074 4.3585e+05 2023-02-20 03:52:56,178 INFO [main.py:643]
{rank 0/100} MD step = 254400 step time: 00:00:00.018352 Performance: 502.478 ns/day 0.048 hours/ns 29.079 steps/s 2023-02-20 03:52:57,415 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 60.577 -33568 6639.3 -40207 -40207 8.0716 5.1137 -0.30066 4.36e+05 2023-02-20 03:52:59,265 INFO [main.py:643]
{rank 0/100} MD step = 254500 step time: 00:00:00.018112 Performance: 502.498 ns/day 0.048 hours/ns 29.080 steps/s 2023-02-20 03:53:00,457 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 59.557 -33452 6527.5 -39980 -39980 8.0758 5.1126 -0.30044 4.3619e+05 2023-02-20 03:53:02,398 INFO [main.py:643]
{rank 0/100} MD step = 254600 step time: 00:00:00.017952 Performance: 502.516 ns/day 0.048 hours/ns 29.081 steps/s 2023-02-20 03:53:04,258 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 60.817 -33563 6665.6 -40229 -40229 8.083 5.1142 -0.29939 4.3631e+05 2023-02-20 03:53:06,085 INFO [main.py:643]
{rank 0/100} MD step = 254700 step time: 00:00:00.020048 Performance: 502.502 ns/day 0.048 hours/ns 29.080 steps/s 2023-02-20 03:53:07,284 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 254700 50940 58.761 -33691 6440.3 -40131 -40131 8.0886 5.1181 -0.2982 4.3649e+05 2023-02-20 03:53:09,223 INFO [main.py:643]
{rank 0/100} MD step = 254800 step time: 00:00:00.018169 Performance: 502.519 ns/day 0.048 hours/ns 29.081 steps/s 2023-02-20 03:53:10,454 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 60.064 -33495 6583.1 -40078 -40078 8.0943 5.1215 -0.29865 4.3669e+05 2023-02-20 03:53:12,355 INFO [main.py:643]
{rank 0/100} MD step = 254900 step time: 00:00:00.017993 Performance: 502.536 ns/day 0.048 hours/ns 29.082 steps/s 2023-02-20 03:53:13,559 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 59.767 -33724 6550.6 -40274 -40274 8.097 5.1249 -0.29841 4.3684e+05 2023-02-20 03:53:15,526 INFO [main.py:643]
{rank 0/100} MD step = 255000 step time: 00:00:00.017922 Performance: 502.552 ns/day 0.048 hours/ns 29.083 steps/s 2023-02-20 03:53:16,753 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 255000 51000 59.123 -33538 6480 -40018 -40018 8.1043 5.1258 -0.29735 4.3709e+05 2023-02-20 03:53:18,695 INFO [main.py:643]
{rank 0/100} MD step = 255100 step time: 00:00:00.018010 Performance: 502.567 ns/day 0.048 hours/ns 29.084 steps/s 2023-02-20 03:53:19,916 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 59.924 -33503 6567.7 -40070 -40070 8.1089 5.1275 -0.29708 4.3723e+05 2023-02-20 03:53:21,819 INFO [main.py:643]
{rank 0/100} MD step = 255200 step time: 00:00:00.018105 Performance: 502.585 ns/day 0.048 hours/ns 29.085 steps/s 2023-02-20 03:53:23,213 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 60.327 -33545 6611.9 -40157 -40157 8.1126 5.1284 -0.29554 4.3738e+05 2023-02-20 03:53:25,210 INFO [main.py:643]
{rank 0/100} MD step = 255300 step time: 00:00:00.018108 Performance: 502.588 ns/day 0.048 hours/ns 29.085 steps/s 2023-02-20 03:53:26,495 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 60.181 -33641 6595.9 -40237 -40237 8.1167 5.1306 -0.29577 4.3754e+05 2023-02-20 03:53:28,336 INFO [main.py:643]
{rank 0/100} MD step = 255400 step time: 00:00:00.018269 Performance: 502.606 ns/day 0.048 hours/ns 29.086 steps/s 2023-02-20 03:53:29,493 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 60.046 -33546 6581.2 -40127 -40127 8.1195 5.1311 -0.29426 4.3775e+05 2023-02-20 03:53:31,433 INFO [main.py:643]
{rank 0/100} MD step = 255500 step time: 00:00:00.018097 Performance: 502.625 ns/day 0.048 hours/ns 29.087 steps/s 2023-02-20 03:53:32,608 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 60.967 -33538 6682.1 -40220 -40220 8.1241 5.1324 -0.29586 4.3792e+05 2023-02-20 03:53:34,567 INFO [main.py:643]
{rank 0/100} MD step = 255600 step time: 00:00:00.018094 Performance: 502.643 ns/day 0.048 hours/ns 29.088 steps/s 2023-02-20 03:53:36,236 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 59.667 -33678 6539.6 -40217 -40217 8.1292 5.1323 -0.29545 4.3808e+05 2023-02-20 03:53:38,055 INFO [main.py:643]
{rank 0/100} MD step = 255700 step time: 00:00:00.018232 Performance: 502.640 ns/day 0.048 hours/ns 29.088 steps/s 2023-02-20 03:53:39,326 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 59.714 -33652 6544.7 -40196 -40196 8.1355 5.1324 -0.2963 4.3824e+05 2023-02-20 03:53:41,175 INFO [main.py:643]
{rank 0/100} MD step = 255800 step time: 00:00:00.017864 Performance: 502.658 ns/day 0.048 hours/ns 29.089 steps/s 2023-02-20 03:53:42,399 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 60.829 -33395 6667 -40062 -40062 8.1427 5.1341 -0.29623 4.3846e+05 2023-02-20 03:53:44,292 INFO [main.py:643]
{rank 0/100} MD step = 255900 step time: 00:00:00.017997 Performance: 502.676 ns/day 0.048 hours/ns 29.090 steps/s 2023-02-20 03:53:45,464 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 255900 51180 61.042 -33416 6690.3 -40106 -40106 8.1496 5.1366 -0.29685 4.3861e+05 2023-02-20 03:53:47,407 INFO [main.py:643]
{rank 0/100} MD step = 256000 step time: 00:00:00.018057 Performance: 502.695 ns/day 0.048 hours/ns 29.091 steps/s 2023-02-20 03:53:48,734 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 58.614 -33656 6424.1 -40081 -40081 8.152 5.1393 -0.29765 4.3882e+05 2023-02-20 03:53:50,539 INFO [main.py:643]
{rank 0/100} MD step = 256100 step time: 00:00:00.018230 Performance: 502.712 ns/day 0.048 hours/ns 29.092 steps/s 2023-02-20 03:53:51,793 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 60.883 -33372 6672.8 -40045 -40045 8.1551 5.1401 -0.29762 4.3897e+05 2023-02-20 03:53:53,698 INFO [main.py:643]
{rank 0/100} MD step = 256200 step time: 00:00:00.017915 Performance: 502.728 ns/day 0.048 hours/ns 29.093 steps/s 2023-02-20 03:53:54,519 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 60.259 -33501 6604.5 -40105 -40105 8.1591 5.1409 -0.29697 4.3916e+05 2023-02-20 03:53:56,819 INFO [main.py:643]
{rank 0/100} MD step = 256300 step time: 00:00:00.017840 Performance: 502.746 ns/day 0.048 hours/ns 29.094 steps/s 2023-02-20 03:53:58,061 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 60.152 -33626 6592.8 -40219 -40219 8.1633 5.1425 -0.29891 4.3933e+05 2023-02-20 03:53:59,893 INFO [main.py:643]
{rank 0/100} MD step = 256400 step time: 00:00:00.017970 Performance: 502.767 ns/day 0.048 hours/ns 29.095 steps/s 2023-02-20 03:54:01,297 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 60.725 -33452 6655.5 -40108 -40108 8.1687 5.1435 -0.29895 4.3953e+05 2023-02-20 03:54:03,100 INFO [main.py:643]
{rank 0/100} MD step = 256500 step time: 00:00:00.017981 Performance: 502.780 ns/day 0.048 hours/ns 29.096 steps/s 2023-02-20 03:54:04,557 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 59.832 -33548 6557.7 -40106 -40106 8.175 5.1448 -0.29842 4.3969e+05 2023-02-20 03:54:06,352 INFO [main.py:643]
{rank 0/100} MD step = 256600 step time: 00:00:00.018075 Performance: 502.790 ns/day 0.048 hours/ns 29.097 steps/s 2023-02-20 03:54:07,653 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 59.968 -33667 6572.6 -40239 -40239 8.1785 5.1459 -0.29817 4.3985e+05 2023-02-20 03:54:09,632 INFO [main.py:643]
{rank 0/100} MD step = 256700 step time: 00:00:00.018064 Performance: 502.799 ns/day 0.048 hours/ns 29.097 steps/s 2023-02-20 03:54:11,029 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 60.484 -33380 6629.1 -40009 -40009 8.1838 5.1463 -0.29792 4.4006e+05 2023-02-20 03:54:12,961 INFO [main.py:643]
{rank 0/100} MD step = 256800 step time: 00:00:00.018381 Performance: 502.806 ns/day 0.048 hours/ns 29.098 steps/s 2023-02-20 03:54:18,346 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 59.789 -33518 6553 -40071 -40071 8.1864 5.148 -0.29828 4.4022e+05 2023-02-20 03:54:20,229 INFO [main.py:643]
{rank 0/100} MD step = 256900 step time: 00:00:00.018047 Performance: 502.587 ns/day 0.048 hours/ns 29.085 steps/s 2023-02-20 03:54:28,149 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 59.538 -33599 6525.5 -40125 -40125 8.1906 5.1492 -0.29613 4.404e+05 2023-02-20 03:54:29,965 INFO [main.py:643]
{rank 0/100} MD step = 257000 step time: 00:00:00.018127 Performance: 502.230 ns/day 0.048 hours/ns 29.064 steps/s 2023-02-20 03:54:31,229 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 60.702 -33508 6653 -40161 -40161 8.1941 5.1515 -0.29695 4.4057e+05 2023-02-20 03:54:33,065 INFO [main.py:643]
{rank 0/100} MD step = 257100 step time: 00:00:00.018157 Performance: 502.249 ns/day 0.048 hours/ns 29.065 steps/s 2023-02-20 03:54:36,217 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 257100 51420 59.43 -33622 6513.6 -40136 -40136 8.1963 5.1524 -0.29714 4.4077e+05 2023-02-20 03:54:38,086 INFO [main.py:643]
{rank 0/100} MD step = 257200 step time: 00:00:00.018159 Performance: 502.159 ns/day 0.048 hours/ns 29.060 steps/s 2023-02-20 03:54:39,282 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 59.334 -33684 6503.1 -40187 -40187 8.1983 5.1555 -0.29765 4.4094e+05 2023-02-20 03:54:41,211 INFO [main.py:643]
{rank 0/100} MD step = 257300 step time: 00:00:00.018007 Performance: 502.177 ns/day 0.048 hours/ns 29.061 steps/s 2023-02-20 03:54:42,469 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 60.357 -33567 6615.2 -40182 -40182 8.2034 5.1563 -0.30017 4.4111e+05 2023-02-20 03:54:44,356 INFO [main.py:643]
{rank 0/100} MD step = 257400 step time: 00:00:00.018700 Performance: 502.194 ns/day 0.048 hours/ns 29.062 steps/s 2023-02-20 03:54:45,590 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 60.233 -33558 6601.6 -40159 -40159 8.21 5.1574 -0.30014 4.4126e+05 2023-02-20 03:54:47,507 INFO [main.py:643]
{rank 0/100} MD step = 257500 step time: 00:00:00.018415 Performance: 502.210 ns/day 0.048 hours/ns 29.063 steps/s 2023-02-20 03:54:48,733 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 257500 51500 60.139 -33606 6591.3 -40197 -40197 8.2157 5.1575 -0.30124 4.4143e+05 2023-02-20 03:54:50,584 INFO [main.py:643]
{rank 0/100} MD step = 257600 step time: 00:00:00.018781 Performance: 502.231 ns/day 0.048 hours/ns 29.064 steps/s 2023-02-20 03:54:51,802 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 60.285 -33376 6607.3 -39983 -39983 8.2191 5.1584 -0.3003 4.4167e+05 2023-02-20 03:54:53,708 INFO [main.py:643]
{rank 0/100} MD step = 257700 step time: 00:00:00.018522 Performance: 502.249 ns/day 0.048 hours/ns 29.065 steps/s 2023-02-20 03:54:54,925 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 59.778 -33601 6551.7 -40153 -40153 8.2232 5.1602 -0.29966 4.4183e+05 2023-02-20 03:54:56,790 INFO [main.py:643]
{rank 0/100} MD step = 257800 step time: 00:00:00.018749 Performance: 502.269 ns/day 0.048 hours/ns 29.067 steps/s 2023-02-20 03:54:58,048 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 60.71 -33480 6653.9 -40134 -40134 8.2283 5.1617 -0.29987 4.42e+05 2023-02-20 03:54:59,890 INFO [main.py:643]
{rank 0/100} MD step = 257900 step time: 00:00:00.018792 Performance: 502.288 ns/day 0.048 hours/ns 29.068 steps/s 2023-02-20 03:55:01,147 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 60.179 -33529 6595.7 -40124 -40124 8.2331 5.1629 -0.29947 4.4217e+05 2023-02-20 03:55:03,034 INFO [main.py:643]
{rank 0/100} MD step = 258000 step time: 00:00:00.019178 Performance: 502.305 ns/day 0.048 hours/ns 29.069 steps/s 2023-02-20 03:55:04,294 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 59.972 -33694 6573 -40267 -40267 8.2362 5.1652 -0.29936 4.4229e+05 2023-02-20 03:55:06,135 INFO [main.py:643]
{rank 0/100} MD step = 258100 step time: 00:00:00.018072 Performance: 502.324 ns/day 0.048 hours/ns 29.070 steps/s 2023-02-20 03:55:07,488 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 59.249 -33609 6493.7 -40103 -40103 8.24 5.1681 -0.30076 4.4247e+05 2023-02-20 03:55:09,317 INFO [main.py:643]
{rank 0/100} MD step = 258200 step time: 00:00:00.018042 Performance: 502.339 ns/day 0.048 hours/ns 29.071 steps/s 2023-02-20 03:55:10,667 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 60.075 -33508 6584.3 -40093 -40093 8.2475 5.1697 -0.30044 4.4265e+05 2023-02-20 03:55:12,570 INFO [main.py:643]
{rank 0/100} MD step = 258300 step time: 00:00:00.018182 Performance: 502.350 ns/day 0.048 hours/ns 29.071 steps/s 2023-02-20 03:55:13,780 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 59.658 -33585 6538.6 -40123 -40123 8.2526 5.1705 -0.30135 4.4279e+05 2023-02-20 03:55:15,752 INFO [main.py:643]
{rank 0/100} MD step = 258400 step time: 00:00:00.018447 Performance: 502.364 ns/day 0.048 hours/ns 29.072 steps/s 2023-02-20 03:55:17,027 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 60.634 -33572 6645.5 -40218 -40218 8.2571 5.1714 -0.30093 4.4293e+05 2023-02-20 03:55:19,094 INFO [main.py:643]
{rank 0/100} MD step = 258500 step time: 00:00:00.018112 Performance: 502.370 ns/day 0.048 hours/ns 29.072 steps/s 2023-02-20 03:55:20,346 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 59.675 -33656 6540.5 -40197 -40197 8.2614 5.1723 -0.30219 4.4312e+05 2023-02-20 03:55:22,271 INFO [main.py:643]
{rank 0/100} MD step = 258600 step time: 00:00:00.017964 Performance: 502.384 ns/day 0.048 hours/ns 29.073 steps/s 2023-02-20 03:55:23,412 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 60.756 -33633 6658.9 -40292 -40292 8.2647 5.1751 -0.30376 4.4327e+05 2023-02-20 03:55:25,438 INFO [main.py:643]
{rank 0/100} MD step = 258700 step time: 00:00:00.017959 Performance: 502.400 ns/day 0.048 hours/ns 29.074 steps/s 2023-02-20 03:55:26,659 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 59.288 -33623 6498 -40121 -40121 8.2708 5.1759 -0.30284 4.4345e+05 2023-02-20 03:55:28,560 INFO [main.py:643]
{rank 0/100} MD step = 258800 step time: 00:00:00.018064 Performance: 502.418 ns/day 0.048 hours/ns 29.075 steps/s 2023-02-20 03:55:29,863 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 59.194 -33679 6487.7 -40166 -40166 8.2754 5.1776 -0.30316 4.436e+05 2023-02-20 03:55:31,690 INFO [main.py:643]
{rank 0/100} MD step = 258900 step time: 00:00:00.018086 Performance: 502.435 ns/day 0.048 hours/ns 29.076 steps/s 2023-02-20 03:55:33,025 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 59.187 -33582 6487 -40069 -40069 8.2796 5.1795 -0.30326 4.4378e+05 2023-02-20 03:55:34,887 INFO [main.py:643]
{rank 0/100} MD step = 259000 step time: 00:00:00.017933 Performance: 502.449 ns/day 0.048 hours/ns 29.077 steps/s 2023-02-20 03:55:36,178 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 59.87 -33455 6561.8 -40017 -40017 8.2826 5.1823 -0.30326 4.4397e+05 2023-02-20 03:55:38,045 INFO [main.py:643]
{rank 0/100} MD step = 259100 step time: 00:00:00.018141 Performance: 502.465 ns/day 0.048 hours/ns 29.078 steps/s 2023-02-20 03:55:39,273 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 59.089 -33619 6476.2 -40095 -40095 8.2882 5.1847 -0.30264 4.4415e+05 2023-02-20 03:55:41,204 INFO [main.py:643]
{rank 0/100} MD step = 259200 step time: 00:00:00.017904 Performance: 502.481 ns/day 0.048 hours/ns 29.079 steps/s 2023-02-20 03:55:42,664 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 59.758 -33593 6549.5 -40142 -40142 8.2927 5.1858 -0.30214 4.4429e+05 2023-02-20 03:55:44,576 INFO [main.py:643]
{rank 0/100} MD step = 259300 step time: 00:00:00.018117 Performance: 502.484 ns/day 0.048 hours/ns 29.079 steps/s 2023-02-20 03:55:45,930 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 259300 51860 59.734 -33637 6546.9 -40184 -40184 8.2966 5.1881 -0.30188 4.4444e+05 2023-02-20 03:55:47,857 INFO [main.py:643]
{rank 0/100} MD step = 259400 step time: 00:00:00.018121 Performance: 502.493 ns/day 0.048 hours/ns 29.079 steps/s 2023-02-20 03:55:49,493 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 60.51 -33577 6631.9 -40209 -40209 8.3019 5.1892 -0.30097 4.4461e+05 2023-02-20 03:55:51,361 INFO [main.py:643]
{rank 0/100} MD step = 259500 step time: 00:00:00.018009 Performance: 502.490 ns/day 0.048 hours/ns 29.079 steps/s 2023-02-20 03:55:52,682 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 59.235 -33640 6492.2 -40132 -40132 8.304 5.1924 -0.30208 4.4476e+05 2023-02-20 03:55:54,522 INFO [main.py:643]
{rank 0/100} MD step = 259600 step time: 00:00:00.018066 Performance: 502.505 ns/day 0.048 hours/ns 29.080 steps/s 2023-02-20 03:55:55,375 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 59.657 -33576 6538.4 -40115 -40115 8.3078 5.1944 -0.30299 4.4494e+05 2023-02-20 03:55:57,701 INFO [main.py:643]
{rank 0/100} MD step = 259700 step time: 00:00:00.018076 Performance: 502.520 ns/day 0.048 hours/ns 29.081 steps/s 2023-02-20 03:55:58,910 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 59.678 -33607 6540.8 -40148 -40148 8.3123 5.1952 -0.30358 4.4514e+05 2023-02-20 03:56:00,933 INFO [main.py:643]
{rank 0/100} MD step = 259800 step time: 00:00:00.018033 Performance: 502.531 ns/day 0.048 hours/ns 29.082 steps/s 2023-02-20 03:56:02,792 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 59.551 -33614 6526.9 -40141 -40141 8.3166 5.1975 -0.30236 4.453e+05 2023-02-20 03:56:05,952 INFO [main.py:643]
{rank 0/100} MD step = 259900 step time: 00:00:00.018682 Performance: 502.443 ns/day 0.048 hours/ns 29.077 steps/s 2023-02-20 03:56:07,125 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 60.306 -33655 6609.6 -40265 -40265 8.3206 5.1992 -0.30148 4.4549e+05 2023-02-20 03:56:09,418 INFO [main.py:643]
{rank 0/100} MD step = 260000 step time: 00:00:00.018176 Performance: 502.441 ns/day 0.048 hours/ns 29.076 steps/s 2023-02-20 03:56:10,714 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 260000 52000 60.073 -33474 6584.1 -40059 -40059 8.3246 5.2002 -0.30141 4.457e+05 2023-02-20 03:56:12,560 INFO [main.py:643]
{rank 0/100} MD step = 260100 step time: 00:00:00.018084 Performance: 502.458 ns/day 0.048 hours/ns 29.077 steps/s 2023-02-20 03:56:13,757 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 59.87 -33530 6561.8 -40092 -40092 8.3267 5.2025 -0.30133 4.4586e+05 2023-02-20 03:56:15,745 INFO [main.py:643]
{rank 0/100} MD step = 260200 step time: 00:00:00.017966 Performance: 502.472 ns/day 0.048 hours/ns 29.078 steps/s 2023-02-20 03:56:17,145 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 60.163 -33664 6593.9 -40258 -40258 8.3307 5.2037 -0.30253 4.4604e+05 2023-02-20 03:56:19,012 INFO [main.py:643]
{rank 0/100} MD step = 260300 step time: 00:00:00.019307 Performance: 502.482 ns/day 0.048 hours/ns 29.079 steps/s 2023-02-20 03:56:20,336 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 60.066 -33548 6583.3 -40131 -40131 8.3344 5.2054 -0.30163 4.4621e+05 2023-02-20 03:56:22,147 INFO [main.py:643]
{rank 0/100} MD step = 260400 step time: 00:00:00.018232 Performance: 502.499 ns/day 0.048 hours/ns 29.080 steps/s 2023-02-20 03:56:23,025 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 59.281 -33668 6497.3 -40165 -40165 8.3401 5.2066 -0.30252 4.4638e+05 2023-02-20 03:56:25,459 INFO [main.py:643]
{rank 0/100} MD step = 260500 step time: 00:00:00.018047 Performance: 502.506 ns/day 0.048 hours/ns 29.080 steps/s 2023-02-20 03:56:26,776 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 59.701 -33656 6543.3 -40200 -40200 8.3454 5.2067 -0.30278 4.4654e+05 2023-02-20 03:56:28,671 INFO [main.py:643]
{rank 0/100} MD step = 260600 step time: 00:00:00.018053 Performance: 502.519 ns/day 0.048 hours/ns 29.081 steps/s 2023-02-20 03:56:29,881 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 60.421 -33573 6622.2 -40196 -40196 8.3488 5.2086 -0.30292 4.4673e+05 2023-02-20 03:56:31,791 INFO [main.py:643]
{rank 0/100} MD step = 260700 step time: 00:00:00.018388 Performance: 502.536 ns/day 0.048 hours/ns 29.082 steps/s 2023-02-20 03:56:33,155 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 60.817 -33359 6665.6 -40024 -40024 8.3545 5.2102 -0.3059 4.4695e+05 2023-02-20 03:56:35,114 INFO [main.py:643]
{rank 0/100} MD step = 260800 step time: 00:00:00.019948 Performance: 502.543 ns/day 0.048 hours/ns 29.082 steps/s 2023-02-20 03:56:36,473 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 60.9 -33384 6674.7 -40059 -40059 8.3596 5.2102 -0.30685 4.4709e+05 2023-02-20 03:56:38,388 INFO [main.py:643]
{rank 0/100} MD step = 260900 step time: 00:00:00.018507 Performance: 502.552 ns/day 0.048 hours/ns 29.083 steps/s 2023-02-20 03:56:39,671 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 60.264 -33540 6605 -40145 -40145 8.3644 5.2127 -0.30786 4.4726e+05 2023-02-20 03:56:41,516 INFO [main.py:643]
{rank 0/100} MD step = 261000 step time: 00:00:00.018153 Performance: 502.570 ns/day 0.048 hours/ns 29.084 steps/s 2023-02-20 03:56:42,748 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 60.813 -33513 6665.2 -40179 -40179 8.3669 5.2139 -0.30867 4.4743e+05 2023-02-20 03:56:44,780 INFO [main.py:643]
{rank 0/100} MD step = 261100 step time: 00:00:00.018232 Performance: 502.579 ns/day 0.048 hours/ns 29.084 steps/s 2023-02-20 03:56:46,157 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 60.483 -33324 6629 -39952 -39952 8.3687 5.2157 -0.31073 4.4765e+05 2023-02-20 03:56:48,050 INFO [main.py:643]
{rank 0/100} MD step = 261200 step time: 00:00:00.018186 Performance: 502.589 ns/day 0.048 hours/ns 29.085 steps/s 2023-02-20 03:56:49,374 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 261200 52240 59.629 -33681 6535.4 -40216 -40216 8.3729 5.2175 -0.31108 4.4773e+05 2023-02-20 03:56:51,255 INFO [main.py:643]
{rank 0/100} MD step = 261300 step time: 00:00:00.017836 Performance: 502.602 ns/day 0.048 hours/ns 29.086 steps/s 2023-02-20 03:56:52,587 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 59.617 -33564 6534.1 -40099 -40099 8.3751 5.2195 -0.31247 4.4795e+05 2023-02-20 03:56:54,427 INFO [main.py:643]
{rank 0/100} MD step = 261400 step time: 00:00:00.017919 Performance: 502.617 ns/day 0.048 hours/ns 29.087 steps/s 2023-02-20 03:56:55,713 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 61.587 -33338 6750 -40088 -40088 8.3781 5.2214 -0.31242 4.4807e+05 2023-02-20 03:56:57,573 INFO [main.py:643]
{rank 0/100} MD step = 261500 step time: 00:00:00.018755 Performance: 502.633 ns/day 0.048 hours/ns 29.088 steps/s 2023-02-20 03:56:58,870 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 59.771 -33600 6551 -40151 -40151 8.3838 5.2217 -0.31257 4.4826e+05 2023-02-20 03:57:00,732 INFO [main.py:643]
{rank 0/100} MD step = 261600 step time: 00:00:00.018090 Performance: 502.648 ns/day 0.048 hours/ns 29.088 steps/s 2023-02-20 03:57:02,042 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 59.198 -33646 6488.2 -40135 -40135 8.3892 5.2242 -0.31158 4.4842e+05 2023-02-20 03:57:03,885 INFO [main.py:643]
{rank 0/100} MD step = 261700 step time: 00:00:00.018393 Performance: 502.664 ns/day 0.048 hours/ns 29.089 steps/s 2023-02-20 03:57:05,201 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 60.737 -33497 6656.8 -40153 -40153 8.3931 5.2255 -0.3119 4.4858e+05 2023-02-20 03:57:07,023 INFO [main.py:643]
{rank 0/100} MD step = 261800 step time: 00:00:00.018040 Performance: 502.681 ns/day 0.048 hours/ns 29.090 steps/s 2023-02-20 03:57:08,373 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 261800 52360 59.569 -33622 6528.8 -40151 -40151 8.3969 5.2274 -0.31221 4.4874e+05 2023-02-20 03:57:10,196 INFO [main.py:643]
{rank 0/100} MD step = 261900 step time: 00:00:00.018118 Performance: 502.696 ns/day 0.048 hours/ns 29.091 steps/s 2023-02-20 03:57:11,539 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 60.075 -33472 6584.3 -40056 -40056 8.4005 5.2293 -0.31191 4.4894e+05 2023-02-20 03:57:13,358 INFO [main.py:643]
{rank 0/100} MD step = 262000 step time: 00:00:00.018430 Performance: 502.711 ns/day 0.048 hours/ns 29.092 steps/s 2023-02-20 03:57:14,682 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 59.746 -33516 6548.2 -40064 -40064 8.4058 5.2309 -0.31148 4.4912e+05 2023-02-20 03:57:16,585 INFO [main.py:643]
{rank 0/100} MD step = 262100 step time: 00:00:00.022384 Performance: 502.723 ns/day 0.048 hours/ns 29.093 steps/s 2023-02-20 03:57:17,676 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 262100 52420 60.373 -33536 6617 -40153 -40153 8.4099 5.2322 -0.31188 4.4925e+05 2023-02-20 03:57:19,707 INFO [main.py:643]
{rank 0/100} MD step = 262200 step time: 00:00:00.018201 Performance: 502.741 ns/day 0.048 hours/ns 29.094 steps/s 2023-02-20 03:57:21,287 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 60.371 -33571 6616.8 -40188 -40188 8.4138 5.2344 -0.31295 4.4944e+05 2023-02-20 03:57:23,156 INFO [main.py:643]
{rank 0/100} MD step = 262300 step time: 00:00:00.018039 Performance: 502.740 ns/day 0.048 hours/ns 29.094 steps/s 2023-02-20 03:57:25,023 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 59.056 -33572 6472.7 -40045 -40045 8.4182 5.2365 -0.31118 4.4963e+05 2023-02-20 03:57:27,047 INFO [main.py:643]
{rank 0/100} MD step = 262400 step time: 00:00:00.018184 Performance: 502.715 ns/day 0.048 hours/ns 29.092 steps/s 2023-02-20 03:57:28,311 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 60.561 -33403 6637.5 -40041 -40041 8.4192 5.2377 -0.31081 4.4982e+05 2023-02-20 03:57:30,221 INFO [main.py:643]
{rank 0/100} MD step = 262500 step time: 00:00:00.018341 Performance: 502.729 ns/day 0.048 hours/ns 29.093 steps/s 2023-02-20 03:57:31,404 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 59.536 -33673 6525.2 -40198 -40198 8.4209 5.2401 -0.3103 4.4995e+05 2023-02-20 03:57:33,351 INFO [main.py:643]
{rank 0/100} MD step = 262600 step time: 00:00:00.019844 Performance: 502.746 ns/day 0.048 hours/ns 29.094 steps/s 2023-02-20 03:57:34,599 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 262600 52520 60.072 -33616 6584 -40200 -40200 8.4251 5.2414 -0.31065 4.5015e+05 2023-02-20 03:57:36,438 INFO [main.py:643]
{rank 0/100} MD step = 262700 step time: 00:00:00.018137 Performance: 502.766 ns/day 0.048 hours/ns 29.095 steps/s 2023-02-20 03:57:37,636 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 59.62 -33556 6534.4 -40090 -40090 8.4304 5.2425 -0.31235 4.5034e+05 2023-02-20 03:57:39,544 INFO [main.py:643]
{rank 0/100} MD step = 262800 step time: 00:00:00.018025 Performance: 502.784 ns/day 0.048 hours/ns 29.096 steps/s 2023-02-20 03:57:40,868 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 262800 52560 59.538 -33770 6525.5 -40296 -40296 8.4342 5.2451 -0.31272 4.5048e+05 2023-02-20 03:57:42,772 INFO [main.py:643]
{rank 0/100} MD step = 262900 step time: 00:00:00.018057 Performance: 502.796 ns/day 0.048 hours/ns 29.097 steps/s 2023-02-20 03:57:44,022 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 59.545 -33604 6526.2 -40130 -40130 8.44 5.2458 -0.31164 4.5066e+05 2023-02-20 03:57:45,939 INFO [main.py:643]
{rank 0/100} MD step = 263000 step time: 00:00:00.017882 Performance: 502.811 ns/day 0.048 hours/ns 29.098 steps/s 2023-02-20 03:57:47,186 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 58.797 -33698 6444.2 -40142 -40142 8.4447 5.2468 -0.31154 4.5084e+05 2023-02-20 03:57:49,125 INFO [main.py:643]
{rank 0/100} MD step = 263100 step time: 00:00:00.017869 Performance: 502.825 ns/day 0.048 hours/ns 29.099 steps/s 2023-02-20 03:57:50,380 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 60.25 -33453 6603.4 -40056 -40056 8.4493 5.2476 -0.31147 4.5102e+05 2023-02-20 03:57:52,321 INFO [main.py:643]
{rank 0/100} MD step = 263200 step time: 00:00:00.018002 Performance: 502.838 ns/day 0.048 hours/ns 29.099 steps/s 2023-02-20 03:57:53,598 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 263200 52640 60.226 -33682 6600.9 -40283 -40283 8.4537 5.2491 -0.30937 4.5118e+05 2023-02-20 03:57:55,603 INFO [main.py:643]
{rank 0/100} MD step = 263300 step time: 00:00:00.018216 Performance: 502.847 ns/day 0.048 hours/ns 29.100 steps/s 2023-02-20 03:57:56,827 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 59.547 -33577 6526.5 -40104 -40104 8.4592 5.2498 -0.3091 4.514e+05 2023-02-20 03:57:58,761 INFO [main.py:643]
{rank 0/100} MD step = 263400 step time: 00:00:00.018138 Performance: 502.862 ns/day 0.048 hours/ns 29.101 steps/s 2023-02-20 03:57:59,941 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 59.365 -33641 6506.5 -40148 -40148 8.4623 5.2527 -0.30771 4.5154e+05 2023-02-20 03:58:01,862 INFO [main.py:643]
{rank 0/100} MD step = 263500 step time: 00:00:00.018537 Performance: 502.881 ns/day 0.048 hours/ns 29.102 steps/s 2023-02-20 03:58:03,134 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 59.303 -33570 6499.7 -40069 -40069 8.4643 5.256 -0.30771 4.5172e+05 2023-02-20 03:58:04,995 INFO [main.py:643]
{rank 0/100} MD step = 263600 step time: 00:00:00.018123 Performance: 502.898 ns/day 0.048 hours/ns 29.103 steps/s 2023-02-20 03:58:06,349 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 60.179 -33466 6595.7 -40062 -40062 8.4696 5.2569 -0.30777 4.5188e+05 2023-02-20 03:58:08,169 INFO [main.py:643]
{rank 0/100} MD step = 263700 step time: 00:00:00.017875 Performance: 502.912 ns/day 0.048 hours/ns 29.104 steps/s 2023-02-20 03:58:09,376 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 263700 52740 59.708 -33470 6544.1 -40014 -40014 8.4754 5.2585 -0.30908 4.5204e+05 2023-02-20 03:58:11,297 INFO [main.py:643]
{rank 0/100} MD step = 263800 step time: 00:00:00.018017 Performance: 502.929 ns/day 0.048 hours/ns 29.105 steps/s 2023-02-20 03:58:12,630 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 263800 52760 59.82 -33602 6556.3 -40158 -40158 8.4791 5.2595 -0.30958 4.522e+05 2023-02-20 03:58:14,577 INFO [main.py:643]
{rank 0/100} MD step = 263900 step time: 00:00:00.018005 Performance: 502.938 ns/day 0.048 hours/ns 29.105 steps/s 2023-02-20 03:58:16,081 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 61.201 -33352 6707.7 -40060 -40060 8.4836 5.2609 -0.31082 4.5241e+05 2023-02-20 03:58:18,017 INFO [main.py:643]
{rank 0/100} MD step = 264000 step time: 00:00:00.018007 Performance: 502.938 ns/day 0.048 hours/ns 29.105 steps/s 2023-02-20 03:58:19,346 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 264000 52800 60.663 -33576 6648.8 -40225 -40225 8.4889 5.262 -0.31153 4.5254e+05 2023-02-20 03:58:21,196 INFO [main.py:643]
{rank 0/100} MD step = 264100 step time: 00:00:00.018065 Performance: 502.952 ns/day 0.048 hours/ns 29.106 steps/s 2023-02-20 03:58:22,326 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 59.886 -33560 6563.6 -40124 -40124 8.4944 5.2628 -0.31212 4.5275e+05 2023-02-20 03:58:24,359 INFO [main.py:643]
{rank 0/100} MD step = 264200 step time: 00:00:00.019874 Performance: 502.967 ns/day 0.048 hours/ns 29.107 steps/s 2023-02-20 03:58:25,642 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 60.3 -33524 6608.9 -40133 -40133 8.4991 5.2641 -0.31236 4.5291e+05 2023-02-20 03:58:27,548 INFO [main.py:643]
{rank 0/100} MD step = 264300 step time: 00:00:00.018047 Performance: 502.981 ns/day 0.048 hours/ns 29.108 steps/s 2023-02-20 03:58:28,945 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 60.252 -33445 6603.7 -40048 -40048 8.5039 5.2646 -0.31286 4.5308e+05 2023-02-20 03:58:30,868 INFO [main.py:643]
{rank 0/100} MD step = 264400 step time: 00:00:00.018038 Performance: 502.987 ns/day 0.048 hours/ns 29.108 steps/s 2023-02-20 03:58:32,111 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 61.551 -33432 6746 -40178 -40178 8.5073 5.2663 -0.31192 4.5328e+05 2023-02-20 03:58:34,059 INFO [main.py:643]
{rank 0/100} MD step = 264500 step time: 00:00:00.020342 Performance: 503.001 ns/day 0.048 hours/ns 29.109 steps/s 2023-02-20 03:58:35,447 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 60.561 -33342 6637.6 -39979 -39979 8.5113 5.2664 -0.31228 4.5343e+05 2023-02-20 03:58:37,324 INFO [main.py:643]
{rank 0/100} MD step = 264600 step time: 00:00:00.018112 Performance: 503.010 ns/day 0.048 hours/ns 29.109 steps/s 2023-02-20 03:58:38,569 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 59.89 -33544 6564 -40108 -40108 8.5146 5.2668 -0.31263 4.5359e+05 2023-02-20 03:58:40,506 INFO [main.py:643]
{rank 0/100} MD step = 264700 step time: 00:00:00.017994 Performance: 503.024 ns/day 0.048 hours/ns 29.110 steps/s 2023-02-20 03:58:42,806 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 59.997 -33632 6575.7 -40208 -40208 8.5178 5.2689 -0.31242 4.5375e+05 2023-02-20 03:58:44,735 INFO [main.py:643]
{rank 0/100} MD step = 264800 step time: 00:00:00.019493 Performance: 502.980 ns/day 0.048 hours/ns 29.108 steps/s 2023-02-20 03:58:45,938 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 60.006 -33514 6576.7 -40091 -40091 8.5217 5.271 -0.31253 4.5394e+05 2023-02-20 03:58:47,918 INFO [main.py:643]
{rank 0/100} MD step = 264900 step time: 00:00:00.025639 Performance: 502.994 ns/day 0.048 hours/ns 29.108 steps/s 2023-02-20 03:58:49,183 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 264900 52980 59.885 -33546 6563.5 -40110 -40110 8.5273 5.2727 -0.31198 4.5412e+05 2023-02-20 03:58:51,061 INFO [main.py:643]
{rank 0/100} MD step = 265000 step time: 00:00:00.017972 Performance: 503.010 ns/day 0.048 hours/ns 29.109 steps/s 2023-02-20 03:58:52,433 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 59.136 -33656 6481.3 -40137 -40137 8.5299 5.2745 -0.31181 4.5427e+05 2023-02-20 03:58:54,268 INFO [main.py:643]
{rank 0/100} MD step = 265100 step time: 00:00:00.018046 Performance: 503.023 ns/day 0.048 hours/ns 29.110 steps/s 2023-02-20 03:58:55,440 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 59.159 -33721 6483.9 -40205 -40205 8.5317 5.2749 -0.31187 4.5441e+05 2023-02-20 03:58:57,380 INFO [main.py:643]
{rank 0/100} MD step = 265200 step time: 00:00:00.017960 Performance: 503.041 ns/day 0.048 hours/ns 29.111 steps/s 2023-02-20 03:58:58,743 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 265200 53040 60.057 -33568 6582.3 -40150 -40150 8.5362 5.2763 -0.31202 4.5458e+05 2023-02-20 03:59:00,794 INFO [main.py:643]
{rank 0/100} MD step = 265300 step time: 00:00:00.019989 Performance: 503.042 ns/day 0.048 hours/ns 29.111 steps/s 2023-02-20 03:59:02,157 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 60.862 -33386 6670.6 -40057 -40057 8.5386 5.2787 -0.31164 4.5475e+05 2023-02-20 03:59:03,964 INFO [main.py:643]
{rank 0/100} MD step = 265400 step time: 00:00:00.017969 Performance: 503.057 ns/day 0.048 hours/ns 29.112 steps/s 2023-02-20 03:59:05,321 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 59.924 -33619 6567.7 -40187 -40187 8.5435 5.2823 -0.31232 4.549e+05 2023-02-20 03:59:07,170 INFO [main.py:643]
{rank 0/100} MD step = 265500 step time: 00:00:00.017971 Performance: 503.069 ns/day 0.048 hours/ns 29.113 steps/s 2023-02-20 03:59:08,249 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 60.312 -33480 6610.2 -40090 -40090 8.5444 5.2824 -0.31213 4.5511e+05 2023-02-20 03:59:10,311 INFO [main.py:643]
{rank 0/100} MD step = 265600 step time: 00:00:00.018228 Performance: 503.086 ns/day 0.048 hours/ns 29.114 steps/s 2023-02-20 03:59:11,531 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 59.875 -33534 6562.4 -40097 -40097 8.5484 5.2844 -0.31188 4.5527e+05 2023-02-20 03:59:13,343 INFO [main.py:643]
{rank 0/100} MD step = 265700 step time: 00:00:00.017992 Performance: 503.108 ns/day 0.048 hours/ns 29.115 steps/s 2023-02-20 03:59:14,691 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 265700 53140 59.984 -33520 6574.3 -40095 -40095 8.5527 5.2866 -0.31268 4.5545e+05 2023-02-20 03:59:16,522 INFO [main.py:643]
{rank 0/100} MD step = 265800 step time: 00:00:00.018938 Performance: 503.122 ns/day 0.048 hours/ns 29.116 steps/s 2023-02-20 03:59:17,828 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 59.715 -33535 6544.8 -40080 -40080 8.5587 5.29 -0.31329 4.5561e+05 2023-02-20 03:59:19,711 INFO [main.py:643]
{rank 0/100} MD step = 265900 step time: 00:00:00.018012 Performance: 503.135 ns/day 0.048 hours/ns 29.117 steps/s 2023-02-20 03:59:20,961 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 59 -33587 6466.5 -40053 -40053 8.564 5.2908 -0.31311 4.558e+05 2023-02-20 03:59:22,845 INFO [main.py:643]
{rank 0/100} MD step = 266000 step time: 00:00:00.018121 Performance: 503.152 ns/day 0.048 hours/ns 29.118 steps/s 2023-02-20 03:59:24,349 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 59.307 -33597 6500.1 -40097 -40097 8.571 5.2921 -0.31241 4.5597e+05 2023-02-20 03:59:26,297 INFO [main.py:643]
{rank 0/100} MD step = 266100 step time: 00:00:00.018098 Performance: 503.151 ns/day 0.048 hours/ns 29.118 steps/s 2023-02-20 03:59:27,608 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 60.795 -33589 6663.2 -40252 -40252 8.5754 5.2938 -0.31244 4.561e+05 2023-02-20 03:59:29,574 INFO [main.py:643]
{rank 0/100} MD step = 266200 step time: 00:00:00.018407 Performance: 503.160 ns/day 0.048 hours/ns 29.118 steps/s 2023-02-20 03:59:30,865 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 60.243 -33610 6602.7 -40212 -40212 8.5804 5.2954 -0.31183 4.5626e+05 2023-02-20 03:59:32,754 INFO [main.py:643]
{rank 0/100} MD step = 266300 step time: 00:00:00.018053 Performance: 503.174 ns/day 0.048 hours/ns 29.119 steps/s 2023-02-20 03:59:34,050 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 60.076 -33677 6584.4 -40261 -40261 8.5848 5.2959 -0.31143 4.5643e+05 2023-02-20 03:59:35,876 INFO [main.py:643]
{rank 0/100} MD step = 266400 step time: 00:00:00.018098 Performance: 503.191 ns/day 0.048 hours/ns 29.120 steps/s 2023-02-20 03:59:37,110 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 60.04 -33537 6580.4 -40117 -40117 8.589 5.2964 -0.31356 4.5661e+05 2023-02-20 03:59:39,048 INFO [main.py:643]
{rank 0/100} MD step = 266500 step time: 00:00:00.017930 Performance: 503.205 ns/day 0.048 hours/ns 29.121 steps/s 2023-02-20 03:59:40,275 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 266500 53300 60.283 -33431 6607.1 -40038 -40038 8.5939 5.2975 -0.31301 4.5682e+05 2023-02-20 03:59:42,181 INFO [main.py:643]
{rank 0/100} MD step = 266600 step time: 00:00:00.018054 Performance: 503.222 ns/day 0.048 hours/ns 29.122 steps/s 2023-02-20 03:59:43,531 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 266600 53320 59.797 -33604 6553.9 -40158 -40158 8.598 5.299 -0.313 4.5697e+05 2023-02-20 03:59:45,350 INFO [main.py:643]
{rank 0/100} MD step = 266700 step time: 00:00:00.018313 Performance: 503.236 ns/day 0.048 hours/ns 29.122 steps/s 2023-02-20 03:59:46,613 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 59.529 -33634 6524.5 -40158 -40158 8.6044 5.3019 -0.3139 4.571e+05 2023-02-20 03:59:48,559 INFO [main.py:643]
{rank 0/100} MD step = 266800 step time: 00:00:00.018152 Performance: 503.249 ns/day 0.048 hours/ns 29.123 steps/s 2023-02-20 03:59:49,886 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 60.128 -33502 6590.1 -40092 -40092 8.611 5.3029 -0.31526 4.573e+05 2023-02-20 03:59:51,795 INFO [main.py:643]
{rank 0/100} MD step = 266900 step time: 00:00:00.017998 Performance: 503.260 ns/day 0.048 hours/ns 29.124 steps/s 2023-02-20 03:59:53,010 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 60.006 -33500 6576.8 -40077 -40077 8.6165 5.3026 -0.31598 4.5747e+05 2023-02-20 03:59:54,961 INFO [main.py:643]
{rank 0/100} MD step = 267000 step time: 00:00:00.018162 Performance: 503.274 ns/day 0.048 hours/ns 29.125 steps/s 2023-02-20 03:59:56,405 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 59.791 -33543 6553.2 -40096 -40096 8.6197 5.3049 -0.31602 4.5765e+05 2023-02-20 03:59:58,256 INFO [main.py:643]
{rank 0/100} MD step = 267100 step time: 00:00:00.018304 Performance: 503.282 ns/day 0.048 hours/ns 29.125 steps/s 2023-02-20 03:59:59,550 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 58.956 -33681 6461.7 -40143 -40143 8.6244 5.3065 -0.31676 4.578e+05 2023-02-20 04:00:01,451 INFO [main.py:643]
{rank 0/100} MD step = 267200 step time: 00:00:00.018000 Performance: 503.295 ns/day 0.048 hours/ns 29.126 steps/s 2023-02-20 04:00:02,909 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 59.725 -33638 6545.9 -40184 -40184 8.6283 5.309 -0.316 4.5798e+05 2023-02-20 04:00:04,843 INFO [main.py:643]
{rank 0/100} MD step = 267300 step time: 00:00:00.018296 Performance: 503.297 ns/day 0.048 hours/ns 29.126 steps/s 2023-02-20 04:00:06,017 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 60.308 -33607 6609.8 -40217 -40217 8.6337 5.3107 -0.31708 4.5815e+05 2023-02-20 04:00:08,004 INFO [main.py:643]
{rank 0/100} MD step = 267400 step time: 00:00:00.019502 Performance: 503.312 ns/day 0.048 hours/ns 29.127 steps/s 2023-02-20 04:00:09,600 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 59.688 -33495 6541.9 -40037 -40037 8.638 5.3116 -0.31906 4.5836e+05 2023-02-20 04:00:11,709 INFO [main.py:643]
{rank 0/100} MD step = 267500 step time: 00:00:00.018195 Performance: 503.297 ns/day 0.048 hours/ns 29.126 steps/s 2023-02-20 04:00:14,027 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 267500 53500 60.393 -33566 6619.1 -40185 -40185 8.6415 5.314 -0.31908 4.5854e+05 2023-02-20 04:00:15,926 INFO [main.py:643]
{rank 0/100} MD step = 267600 step time: 00:00:00.017985 Performance: 503.254 ns/day 0.048 hours/ns 29.124 steps/s 2023-02-20 04:00:17,262 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 59.352 -33690 6505 -40195 -40195 8.6475 5.3145 -0.3182 4.5873e+05 2023-02-20 04:00:19,118 INFO [main.py:643]
{rank 0/100} MD step = 267700 step time: 00:00:00.018144 Performance: 503.267 ns/day 0.048 hours/ns 29.124 steps/s 2023-02-20 04:00:20,463 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 59.842 -33542 6558.8 -40101 -40101 8.6514 5.3169 -0.31802 4.589e+05 2023-02-20 04:00:22,314 INFO [main.py:643]
{rank 0/100} MD step = 267800 step time: 00:00:00.018118 Performance: 503.281 ns/day 0.048 hours/ns 29.125 steps/s 2023-02-20 04:00:23,659 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 60.276 -33464 6606.3 -40070 -40070 8.6574 5.3189 -0.31805 4.5907e+05 2023-02-20 04:00:25,517 INFO [main.py:643]
{rank 0/100} MD step = 267900 step time: 00:00:00.020044 Performance: 503.293 ns/day 0.048 hours/ns 29.126 steps/s 2023-02-20 04:00:26,840 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 267900 53580 60.476 -33466 6628.3 -40094 -40094 8.6604 5.3205 -0.31771 4.5922e+05 2023-02-20 04:00:28,657 INFO [main.py:643]
{rank 0/100} MD step = 268000 step time: 00:00:00.018068 Performance: 503.309 ns/day 0.048 hours/ns 29.127 steps/s 2023-02-20 04:00:30,000 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 268000 53600 60.015 -33566 6577.8 -40143 -40143 8.6655 5.3232 -0.31828 4.594e+05 2023-02-20 04:00:31,835 INFO [main.py:643]
{rank 0/100} MD step = 268100 step time: 00:00:00.020178 Performance: 503.323 ns/day 0.048 hours/ns 29.127 steps/s 2023-02-20 04:00:33,109 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 59.704 -33671 6543.7 -40215 -40215 8.6679 5.325 -0.32004 4.5957e+05 2023-02-20 04:00:34,960 INFO [main.py:643]
{rank 0/100} MD step = 268200 step time: 00:00:00.018013 Performance: 503.340 ns/day 0.048 hours/ns 29.128 steps/s 2023-02-20 04:00:36,273 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 59.2 -33637 6488.4 -40126 -40126 8.6718 5.327 -0.32057 4.5975e+05 2023-02-20 04:00:38,178 INFO [main.py:643]
{rank 0/100} MD step = 268300 step time: 00:00:00.018196 Performance: 503.352 ns/day 0.048 hours/ns 29.129 steps/s 2023-02-20 04:00:39,667 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 59.932 -33650 6568.6 -40218 -40218 8.6764 5.3291 -0.31943 4.5988e+05 2023-02-20 04:00:41,478 INFO [main.py:643]
{rank 0/100} MD step = 268400 step time: 00:00:00.018078 Performance: 503.359 ns/day 0.048 hours/ns 29.130 steps/s 2023-02-20 04:00:42,983 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 60.443 -33471 6624.7 -40095 -40095 8.6821 5.3314 -0.32089 4.6007e+05 2023-02-20 04:00:44,800 INFO [main.py:643]
{rank 0/100} MD step = 268500 step time: 00:00:00.018819 Performance: 503.365 ns/day 0.048 hours/ns 29.130 steps/s 2023-02-20 04:00:46,207 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 60.13 -33556 6590.3 -40146 -40146 8.683 5.3339 -0.32097 4.6023e+05 2023-02-20 04:00:48,075 INFO [main.py:643]
{rank 0/100} MD step = 268600 step time: 00:00:00.017903 Performance: 503.374 ns/day 0.048 hours/ns 29.130 steps/s 2023-02-20 04:00:49,684 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 59.441 -33464 6514.9 -39978 -39978 8.6864 5.3361 -0.32196 4.6042e+05 2023-02-20 04:00:51,551 INFO [main.py:643]
{rank 0/100} MD step = 268700 step time: 00:00:00.017979 Performance: 503.371 ns/day 0.048 hours/ns 29.130 steps/s 2023-02-20 04:00:53,011 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 268700 53740 61.032 -33463 6689.2 -40152 -40152 8.6901 5.3375 -0.32138 4.606e+05 2023-02-20 04:00:54,892 INFO [main.py:643]
{rank 0/100} MD step = 268800 step time: 00:00:00.018047 Performance: 503.376 ns/day 0.048 hours/ns 29.131 steps/s 2023-02-20 04:00:56,285 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 60.086 -33554 6585.5 -40139 -40139 8.695 5.3384 -0.32015 4.6076e+05 2023-02-20 04:00:58,230 INFO [main.py:643]
{rank 0/100} MD step = 268900 step time: 00:00:00.018012 Performance: 503.382 ns/day 0.048 hours/ns 29.131 steps/s 2023-02-20 04:00:59,438 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 60.4 -33580 6619.9 -40200 -40200 8.6996 5.3395 -0.32068 4.6091e+05 2023-02-20 04:01:01,357 INFO [main.py:643]
{rank 0/100} MD step = 269000 step time: 00:00:00.018163 Performance: 503.398 ns/day 0.048 hours/ns 29.132 steps/s 2023-02-20 04:01:02,558 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 59.838 -33685 6558.3 -40243 -40243 8.7058 5.3423 -0.32234 4.6106e+05 2023-02-20 04:01:04,502 INFO [main.py:643]
{rank 0/100} MD step = 269100 step time: 00:00:00.020943 Performance: 503.414 ns/day 0.048 hours/ns 29.133 steps/s 2023-02-20 04:01:05,668 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 60.693 -33445 6652 -40097 -40097 8.7109 5.3444 -0.32185 4.6125e+05 2023-02-20 04:01:07,657 INFO [main.py:643]
{rank 0/100} MD step = 269200 step time: 00:00:00.018559 Performance: 503.429 ns/day 0.048 hours/ns 29.134 steps/s 2023-02-20 04:01:08,951 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 59.745 -33618 6548.2 -40166 -40166 8.7154 5.3453 -0.32055 4.6142e+05 2023-02-20 04:01:10,826 INFO [main.py:643]
{rank 0/100} MD step = 269300 step time: 00:00:00.018175 Performance: 503.443 ns/day 0.048 hours/ns 29.134 steps/s 2023-02-20 04:01:12,167 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 61.087 -33420 6695.2 -40115 -40115 8.7182 5.3451 -0.32104 4.6159e+05 2023-02-20 04:01:14,018 INFO [main.py:643]
{rank 0/100} MD step = 269400 step time: 00:00:00.018021 Performance: 503.456 ns/day 0.048 hours/ns 29.135 steps/s 2023-02-20 04:01:15,205 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 60.801 -33358 6663.9 -40022 -40022 8.7227 5.3479 -0.32104 4.6179e+05 2023-02-20 04:01:17,216 INFO [main.py:643]
{rank 0/100} MD step = 269500 step time: 00:00:00.018141 Performance: 503.469 ns/day 0.048 hours/ns 29.136 steps/s 2023-02-20 04:01:18,577 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 59.93 -33705 6568.4 -40273 -40273 8.7269 5.3494 -0.32082 4.6191e+05 2023-02-20 04:01:20,411 INFO [main.py:643]
{rank 0/100} MD step = 269600 step time: 00:00:00.018138 Performance: 503.482 ns/day 0.048 hours/ns 29.137 steps/s 2023-02-20 04:01:21,710 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 59.786 -33571 6552.6 -40124 -40124 8.7303 5.3518 -0.32217 4.6214e+05 2023-02-20 04:01:23,643 INFO [main.py:643]
{rank 0/100} MD step = 269700 step time: 00:00:00.017983 Performance: 503.493 ns/day 0.048 hours/ns 29.137 steps/s 2023-02-20 04:01:24,888 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 269700 53940 59.861 -33465 6560.9 -40026 -40026 8.7362 5.3535 -0.32179 4.6231e+05 2023-02-20 04:01:26,758 INFO [main.py:643]
{rank 0/100} MD step = 269800 step time: 00:00:00.018104 Performance: 503.510 ns/day 0.048 hours/ns 29.138 steps/s 2023-02-20 04:01:28,154 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 59.417 -33727 6512.1 -40239 -40239 8.7401 5.355 -0.32249 4.6246e+05 2023-02-20 04:01:29,995 INFO [main.py:643]
{rank 0/100} MD step = 269900 step time: 00:00:00.018273 Performance: 503.521 ns/day 0.048 hours/ns 29.139 steps/s 2023-02-20 04:01:31,773 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 59.84 -33486 6558.5 -40045 -40045 8.7431 5.3576 -0.32111 4.6266e+05 2023-02-20 04:01:33,733 INFO [main.py:643]
{rank 0/100} MD step = 270000 step time: 00:00:00.017954 Performance: 503.504 ns/day 0.048 hours/ns 29.138 steps/s 2023-02-20 04:01:35,066 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 59.652 -33736 6537.9 -40274 -40274 8.7483 5.3599 -0.31982 4.6279e+05 2023-02-20 04:01:36,947 INFO [main.py:643]
{rank 0/100} MD step = 270100 step time: 00:00:00.018054 Performance: 503.516 ns/day 0.048 hours/ns 29.139 steps/s 2023-02-20 04:01:38,393 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 59.199 -33618 6488.3 -40106 -40106 8.7529 5.3606 -0.31918 4.6295e+05 2023-02-20 04:01:40,381 INFO [main.py:643]
{rank 0/100} MD step = 270200 step time: 00:00:00.018140 Performance: 503.516 ns/day 0.048 hours/ns 29.139 steps/s 2023-02-20 04:01:41,638 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 270200 54040 59.387 -33577 6508.9 -40086 -40086 8.7583 5.3622 -0.3182 4.6313e+05 2023-02-20 04:01:43,657 INFO [main.py:643]
{rank 0/100} MD step = 270300 step time: 00:00:00.018009 Performance: 503.524 ns/day 0.048 hours/ns 29.139 steps/s 2023-02-20 04:01:44,832 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 60.748 -33447 6658 -40105 -40105 8.7638 5.3641 -0.32039 4.6331e+05 2023-02-20 04:01:46,815 INFO [main.py:643]
{rank 0/100} MD step = 270400 step time: 00:00:00.017978 Performance: 503.539 ns/day 0.048 hours/ns 29.140 steps/s 2023-02-20 04:01:48,340 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 270400 54080 60.096 -33447 6586.5 -40034 -40034 8.7689 5.365 -0.32041 4.635e+05 2023-02-20 04:01:50,262 INFO [main.py:643]
{rank 0/100} MD step = 270500 step time: 00:00:00.018258 Performance: 503.538 ns/day 0.048 hours/ns 29.140 steps/s 2023-02-20 04:01:51,988 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 61.056 -33550 6691.8 -40242 -40242 8.7736 5.3666 -0.31961 4.6361e+05 2023-02-20 04:01:53,843 INFO [main.py:643]
{rank 0/100} MD step = 270600 step time: 00:00:00.018364 Performance: 503.530 ns/day 0.048 hours/ns 29.139 steps/s 2023-02-20 04:01:55,124 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 59.378 -33738 6507.9 -40246 -40246 8.7776 5.369 -0.32127 4.6377e+05 2023-02-20 04:01:57,030 INFO [main.py:643]
{rank 0/100} MD step = 270700 step time: 00:00:00.018044 Performance: 503.544 ns/day 0.048 hours/ns 29.140 steps/s 2023-02-20 04:01:58,539 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 60.249 -33550 6603.4 -40153 -40153 8.7818 5.3707 -0.3223 4.6397e+05 2023-02-20 04:02:00,603 INFO [main.py:643]
{rank 0/100} MD step = 270800 step time: 00:00:00.017978 Performance: 503.536 ns/day 0.048 hours/ns 29.140 steps/s 2023-02-20 04:02:01,991 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 60.075 -33447 6584.3 -40031 -40031 8.7868 5.3733 -0.32297 4.6415e+05 2023-02-20 04:02:03,916 INFO [main.py:643]
{rank 0/100} MD step = 270900 step time: 00:00:00.018912 Performance: 503.542 ns/day 0.048 hours/ns 29.140 steps/s 2023-02-20 04:02:05,294 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 59.505 -33569 6521.8 -40091 -40091 8.7907 5.3756 -0.32343 4.6431e+05 2023-02-20 04:02:07,132 INFO [main.py:643]
{rank 0/100} MD step = 271000 step time: 00:00:00.017959 Performance: 503.554 ns/day 0.048 hours/ns 29.141 steps/s 2023-02-20 04:02:08,427 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 60.054 -33632 6581.9 -40214 -40214 8.7964 5.3781 -0.32382 4.6448e+05 2023-02-20 04:02:10,387 INFO [main.py:643]
{rank 0/100} MD step = 271100 step time: 00:00:00.017910 Performance: 503.564 ns/day 0.048 hours/ns 29.141 steps/s 2023-02-20 04:02:11,853 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 271100 54220 60.08 -33494 6584.8 -40078 -40078 8.8012 5.3771 -0.32407 4.6466e+05 2023-02-20 04:02:13,757 INFO [main.py:643]
{rank 0/100} MD step = 271200 step time: 00:00:00.018131 Performance: 503.567 ns/day 0.048 hours/ns 29.142 steps/s 2023-02-20 04:02:15,130 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 59.329 -33699 6502.5 -40201 -40201 8.8059 5.3777 -0.32432 4.6483e+05 2023-02-20 04:02:17,084 INFO [main.py:643]
{rank 0/100} MD step = 271300 step time: 00:00:00.017909 Performance: 503.573 ns/day 0.048 hours/ns 29.142 steps/s 2023-02-20 04:02:18,711 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 60.133 -33529 6590.6 -40119 -40119 8.811 5.3781 -0.32364 4.6501e+05 2023-02-20 04:02:20,599 INFO [main.py:643]
{rank 0/100} MD step = 271400 step time: 00:00:00.018552 Performance: 503.568 ns/day 0.048 hours/ns 29.142 steps/s 2023-02-20 04:02:22,191 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 59.287 -33601 6498 -40099 -40099 8.8146 5.3791 -0.32329 4.6518e+05 2023-02-20 04:02:24,124 INFO [main.py:643]
{rank 0/100} MD step = 271500 step time: 00:00:00.018160 Performance: 503.563 ns/day 0.048 hours/ns 29.141 steps/s 2023-02-20 04:02:25,420 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 60.033 -33507 6579.7 -40087 -40087 8.818 5.3803 -0.32259 4.6536e+05 2023-02-20 04:02:27,398 INFO [main.py:643]
{rank 0/100} MD step = 271600 step time: 00:00:00.018431 Performance: 503.571 ns/day 0.048 hours/ns 29.142 steps/s 2023-02-20 04:02:28,739 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 60.481 -33511 6628.8 -40139 -40139 8.8233 5.3818 -0.32339 4.6551e+05 2023-02-20 04:02:30,552 INFO [main.py:643]
{rank 0/100} MD step = 271700 step time: 00:00:00.018032 Performance: 503.586 ns/day 0.048 hours/ns 29.143 steps/s 2023-02-20 04:02:31,914 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 60.381 -33388 6617.8 -40006 -40006 8.8295 5.3854 -0.32272 4.6568e+05 2023-02-20 04:02:33,733 INFO [main.py:643]
{rank 0/100} MD step = 271800 step time: 00:00:00.018113 Performance: 503.600 ns/day 0.048 hours/ns 29.144 steps/s 2023-02-20 04:02:35,364 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 60.505 -33521 6631.5 -40153 -40153 8.8343 5.387 -0.32461 4.6586e+05 2023-02-20 04:02:37,296 INFO [main.py:643]
{rank 0/100} MD step = 271900 step time: 00:00:00.018139 Performance: 503.593 ns/day 0.048 hours/ns 29.143 steps/s 2023-02-20 04:02:39,029 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 60.189 -33567 6596.8 -40164 -40164 8.8366 5.3881 -0.32307 4.6601e+05 2023-02-20 04:02:40,852 INFO [main.py:643]
{rank 0/100} MD step = 272000 step time: 00:00:00.018270 Performance: 503.586 ns/day 0.048 hours/ns 29.143 steps/s 2023-02-20 04:02:42,144 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 60.84 -33404 6668.1 -40072 -40072 8.8423 5.3901 -0.32345 4.662e+05 2023-02-20 04:02:44,106 INFO [main.py:643]
{rank 0/100} MD step = 272100 step time: 00:00:00.018042 Performance: 503.596 ns/day 0.048 hours/ns 29.143 steps/s 2023-02-20 04:02:45,381 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 59.548 -33590 6526.6 -40117 -40117 8.8459 5.3911 -0.3231 4.6637e+05 2023-02-20 04:02:47,211 INFO [main.py:643]
{rank 0/100} MD step = 272200 step time: 00:00:00.018629 Performance: 503.613 ns/day 0.048 hours/ns 29.144 steps/s 2023-02-20 04:02:48,539 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 60.451 -33508 6625.5 -40133 -40133 8.8495 5.3926 -0.32239 4.6655e+05 2023-02-20 04:02:50,357 INFO [main.py:643]
{rank 0/100} MD step = 272300 step time: 00:00:00.018100 Performance: 503.629 ns/day 0.048 hours/ns 29.145 steps/s 2023-02-20 04:02:51,670 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 59.3 -33646 6499.4 -40146 -40146 8.8524 5.3942 -0.32283 4.6674e+05 2023-02-20 04:02:53,481 INFO [main.py:643]
{rank 0/100} MD step = 272400 step time: 00:00:00.017900 Performance: 503.645 ns/day 0.048 hours/ns 29.146 steps/s 2023-02-20 04:02:55,014 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 59.619 -33475 6534.4 -40010 -40010 8.8585 5.3977 -0.3248 4.6695e+05 2023-02-20 04:02:56,972 INFO [main.py:643]
{rank 0/100} MD step = 272500 step time: 00:00:00.018390 Performance: 503.642 ns/day 0.048 hours/ns 29.146 steps/s 2023-02-20 04:02:58,113 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 60.186 -33399 6596.5 -39995 -39995 8.8625 5.3986 -0.32427 4.6712e+05 2023-02-20 04:03:00,068 INFO [main.py:643]
{rank 0/100} MD step = 272600 step time: 00:00:00.018319 Performance: 503.660 ns/day 0.048 hours/ns 29.147 steps/s 2023-02-20 04:03:01,526 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 59.929 -33602 6568.3 -40171 -40171 8.866 5.4 -0.32253 4.6729e+05 2023-02-20 04:03:03,376 INFO [main.py:643]
{rank 0/100} MD step = 272700 step time: 00:00:00.017897 Performance: 503.667 ns/day 0.048 hours/ns 29.147 steps/s 2023-02-20 04:03:04,558 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 272700 54540 59.705 -33496 6543.7 -40040 -40040 8.8703 5.4008 -0.32241 4.6747e+05 2023-02-20 04:03:06,629 INFO [main.py:643]
{rank 0/100} MD step = 272800 step time: 00:00:00.018039 Performance: 503.676 ns/day 0.048 hours/ns 29.148 steps/s 2023-02-20 04:03:08,470 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 59.669 -33726 6539.8 -40265 -40265 8.8762 5.402 -0.32392 4.676e+05 2023-02-20 04:03:10,363 INFO [main.py:643]
{rank 0/100} MD step = 272900 step time: 00:00:00.018161 Performance: 503.660 ns/day 0.048 hours/ns 29.147 steps/s 2023-02-20 04:03:12,016 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 59.726 -33563 6546 -40109 -40109 8.8808 5.4042 -0.32413 4.6778e+05 2023-02-20 04:03:13,944 INFO [main.py:643]
{rank 0/100} MD step = 273000 step time: 00:00:00.018420 Performance: 503.652 ns/day 0.048 hours/ns 29.147 steps/s 2023-02-20 04:03:15,355 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 273000 54600 59.985 -33655 6574.4 -40229 -40229 8.8844 5.4048 -0.32255 4.6796e+05 2023-02-20 04:03:17,180 INFO [main.py:643]
{rank 0/100} MD step = 273100 step time: 00:00:00.017978 Performance: 503.662 ns/day 0.048 hours/ns 29.147 steps/s 2023-02-20 04:03:18,187 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 60.643 -33479 6646.5 -40126 -40126 8.8866 5.4056 -0.32225 4.6814e+05 2023-02-20 04:03:20,310 INFO [main.py:643]
{rank 0/100} MD step = 273200 step time: 00:00:00.018169 Performance: 503.678 ns/day 0.048 hours/ns 29.148 steps/s 2023-02-20 04:03:21,625 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 60.876 -33379 6672.1 -40052 -40052 8.8926 5.4063 -0.32188 4.6833e+05 2023-02-20 04:03:23,568 INFO [main.py:643]
{rank 0/100} MD step = 273300 step time: 00:00:00.017835 Performance: 503.688 ns/day 0.048 hours/ns 29.149 steps/s 2023-02-20 04:03:24,943 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 60.453 -33416 6625.7 -40042 -40042 8.8954 5.4121 -0.32133 4.6851e+05 2023-02-20 04:03:26,829 INFO [main.py:643]
{rank 0/100} MD step = 273400 step time: 00:00:00.018662 Performance: 503.697 ns/day 0.048 hours/ns 29.149 steps/s 2023-02-20 04:03:28,093 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 60.32 -33548 6611.1 -40159 -40159 8.9012 5.4124 -0.31983 4.6868e+05 2023-02-20 04:03:29,985 INFO [main.py:643]
{rank 0/100} MD step = 273500 step time: 00:00:00.017999 Performance: 503.712 ns/day 0.048 hours/ns 29.150 steps/s 2023-02-20 04:03:31,424 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 60.975 -33491 6683 -40174 -40174 8.9058 5.414 -0.31771 4.6889e+05 2023-02-20 04:03:33,247 INFO [main.py:643]
{rank 0/100} MD step = 273600 step time: 00:00:00.018412 Performance: 503.721 ns/day 0.048 hours/ns 29.151 steps/s 2023-02-20 04:03:34,439 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 60.837 -33382 6667.8 -40050 -40050 8.9114 5.4155 -0.31873 4.6909e+05 2023-02-20 04:03:36,429 INFO [main.py:643]
{rank 0/100} MD step = 273700 step time: 00:00:00.018088 Performance: 503.734 ns/day 0.048 hours/ns 29.151 steps/s 2023-02-20 04:03:37,836 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 59.891 -33524 6564.2 -40089 -40089 8.9159 5.4188 -0.31872 4.6922e+05 2023-02-20 04:03:39,674 INFO [main.py:643]
{rank 0/100} MD step = 273800 step time: 00:00:00.017981 Performance: 503.744 ns/day 0.048 hours/ns 29.152 steps/s 2023-02-20 04:03:40,939 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 60.308 -33505 6609.8 -40115 -40115 8.9191 5.4185 -0.31847 4.6941e+05 2023-02-20 04:03:42,775 INFO [main.py:643]
{rank 0/100} MD step = 273900 step time: 00:00:00.017924 Performance: 503.762 ns/day 0.048 hours/ns 29.153 steps/s 2023-02-20 04:03:44,069 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 273900 54780 59.908 -33564 6566 -40130 -40130 8.9232 5.4193 -0.31868 4.6956e+05 2023-02-20 04:03:45,887 INFO [main.py:643]
{rank 0/100} MD step = 274000 step time: 00:00:00.018351 Performance: 503.779 ns/day 0.048 hours/ns 29.154 steps/s 2023-02-20 04:03:47,220 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 61.443 -33376 6734.2 -40110 -40110 8.9284 5.4207 -0.31823 4.6976e+05 2023-02-20 04:03:49,142 INFO [main.py:643]
{rank 0/100} MD step = 274100 step time: 00:00:00.018017 Performance: 503.788 ns/day 0.048 hours/ns 29.154 steps/s 2023-02-20 04:03:50,433 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 60.609 -33452 6642.8 -40095 -40095 8.9312 5.4216 -0.31975 4.6995e+05 2023-02-20 04:03:52,303 INFO [main.py:643]
{rank 0/100} MD step = 274200 step time: 00:00:00.018092 Performance: 503.802 ns/day 0.048 hours/ns 29.155 steps/s 2023-02-20 04:03:53,641 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 59.424 -33619 6513 -40132 -40132 8.9345 5.4242 -0.32033 4.7008e+05 2023-02-20 04:03:55,494 INFO [main.py:643]
{rank 0/100} MD step = 274300 step time: 00:00:00.018046 Performance: 503.815 ns/day 0.048 hours/ns 29.156 steps/s 2023-02-20 04:03:56,783 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 274300 54860 60.028 -33530 6579.2 -40110 -40110 8.9391 5.4262 -0.31904 4.7025e+05 2023-02-20 04:03:58,725 INFO [main.py:643]
{rank 0/100} MD step = 274400 step time: 00:00:00.018186 Performance: 503.826 ns/day 0.048 hours/ns 29.157 steps/s 2023-02-20 04:03:59,897 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 60.451 -33474 6625.5 -40100 -40100 8.9428 5.4259 -0.31811 4.7044e+05 2023-02-20 04:04:01,811 INFO [main.py:643]
{rank 0/100} MD step = 274500 step time: 00:00:00.018133 Performance: 503.844 ns/day 0.048 hours/ns 29.158 steps/s 2023-02-20 04:04:03,393 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 60.147 -33531 6592.2 -40123 -40123 8.9465 5.4277 -0.31985 4.7059e+05 2023-02-20 04:04:05,345 INFO [main.py:643]
{rank 0/100} MD step = 274600 step time: 00:00:00.018026 Performance: 503.839 ns/day 0.048 hours/ns 29.157 steps/s 2023-02-20 04:04:06,692 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 60.09 -33519 6585.9 -40105 -40105 8.9494 5.4307 -0.32044 4.7074e+05 2023-02-20 04:04:08,627 INFO [main.py:643]
{rank 0/100} MD step = 274700 step time: 00:00:00.018316 Performance: 503.847 ns/day 0.048 hours/ns 29.158 steps/s 2023-02-20 04:04:09,940 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 60.053 -33645 6581.9 -40227 -40227 8.9541 5.4335 -0.31992 4.7093e+05 2023-02-20 04:04:11,849 INFO [main.py:643]
{rank 0/100} MD step = 274800 step time: 00:00:00.018700 Performance: 503.858 ns/day 0.048 hours/ns 29.158 steps/s 2023-02-20 04:04:13,125 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 60.154 -33451 6592.9 -40044 -40044 8.9583 5.4339 -0.31903 4.7113e+05 2023-02-20 04:04:15,031 INFO [main.py:643]
{rank 0/100} MD step = 274900 step time: 00:00:00.017884 Performance: 503.871 ns/day 0.048 hours/ns 29.159 steps/s 2023-02-20 04:04:16,323 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 59.577 -33653 6529.7 -40182 -40182 8.9603 5.4346 -0.31806 4.7125e+05 2023-02-20 04:04:18,151 INFO [main.py:643]
{rank 0/100} MD step = 275000 step time: 00:00:00.018039 Performance: 503.887 ns/day 0.048 hours/ns 29.160 steps/s 2023-02-20 04:04:19,582 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 275000 55000 59.7 -33674 6543.2 -40217 -40217 8.9644 5.4375 -0.3192 4.714e+05 2023-02-20 04:04:21,536 INFO [main.py:643]
{rank 0/100} MD step = 275100 step time: 00:00:00.018085 Performance: 503.890 ns/day 0.048 hours/ns 29.160 steps/s 2023-02-20 04:04:29,456 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 275100 55020 59.355 -33626 6505.4 -40132 -40132 8.9692 5.4387 -0.31938 4.7158e+05 2023-02-20 04:04:31,354 INFO [main.py:643]
{rank 0/100} MD step = 275200 step time: 00:00:00.018048 Performance: 503.549 ns/day 0.048 hours/ns 29.141 steps/s 2023-02-20 04:04:33,169 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 60.89 -33437 6673.6 -40111 -40111 8.9734 5.4414 -0.31983 4.7177e+05 2023-02-20 04:04:35,275 INFO [main.py:643]
{rank 0/100} MD step = 275300 step time: 00:00:00.018224 Performance: 503.523 ns/day 0.048 hours/ns 29.139 steps/s 2023-02-20 04:04:39,283 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 60.518 -33625 6632.9 -40258 -40258 8.9782 5.4432 -0.31957 4.7195e+05 2023-02-20 04:04:41,102 INFO [main.py:643]
{rank 0/100} MD step = 275400 step time: 00:00:00.017914 Performance: 503.395 ns/day 0.048 hours/ns 29.132 steps/s 2023-02-20 04:04:42,422 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 60.373 -33491 6616.9 -40108 -40108 8.9842 5.4443 -0.319 4.7211e+05 2023-02-20 04:04:44,386 INFO [main.py:643]
{rank 0/100} MD step = 275500 step time: 00:00:00.017830 Performance: 503.403 ns/day 0.048 hours/ns 29.132 steps/s 2023-02-20 04:04:45,640 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 60.084 -33506 6585.3 -40092 -40092 8.9888 5.4443 -0.31915 4.7228e+05 2023-02-20 04:04:47,487 INFO [main.py:643]
{rank 0/100} MD step = 275600 step time: 00:00:00.018034 Performance: 503.421 ns/day 0.048 hours/ns 29.133 steps/s 2023-02-20 04:04:48,716 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 59.353 -33701 6505.1 -40206 -40206 8.9909 5.445 -0.31992 4.7246e+05 2023-02-20 04:04:50,622 INFO [main.py:643]
{rank 0/100} MD step = 275700 step time: 00:00:00.018435 Performance: 503.437 ns/day 0.048 hours/ns 29.134 steps/s 2023-02-20 04:04:51,877 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 59.198 -33796 6488.2 -40284 -40284 8.9962 5.448 -0.31919 4.7262e+05 2023-02-20 04:04:53,769 INFO [main.py:643]
{rank 0/100} MD step = 275800 step time: 00:00:00.017885 Performance: 503.452 ns/day 0.048 hours/ns 29.135 steps/s 2023-02-20 04:04:55,044 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 59.973 -33514 6573.1 -40088 -40088 8.9997 5.4483 -0.31928 4.7281e+05 2023-02-20 04:04:56,909 INFO [main.py:643]
{rank 0/100} MD step = 275900 step time: 00:00:00.018159 Performance: 503.467 ns/day 0.048 hours/ns 29.136 steps/s 2023-02-20 04:04:58,141 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 60.214 -33479 6599.5 -40079 -40079 9.0012 5.4507 -0.31758 4.73e+05 2023-02-20 04:05:00,073 INFO [main.py:643]
{rank 0/100} MD step = 276000 step time: 00:00:00.018094 Performance: 503.482 ns/day 0.048 hours/ns 29.137 steps/s 2023-02-20 04:05:01,187 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 276000 55200 59.888 -33672 6563.8 -40236 -40236 9.004 5.452 -0.31526 4.7316e+05 2023-02-20 04:05:03,206 INFO [main.py:643]
{rank 0/100} MD step = 276100 step time: 00:00:00.018068 Performance: 503.498 ns/day 0.048 hours/ns 29.138 steps/s 2023-02-20 04:05:04,464 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 60.189 -33488 6596.8 -40084 -40084 9.007 5.4538 -0.31621 4.7336e+05 2023-02-20 04:05:06,285 INFO [main.py:643]
{rank 0/100} MD step = 276200 step time: 00:00:00.017992 Performance: 503.516 ns/day 0.048 hours/ns 29.139 steps/s 2023-02-20 04:05:07,521 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 59.945 -33533 6570 -40103 -40103 9.0084 5.4567 -0.31533 4.7354e+05 2023-02-20 04:05:09,462 INFO [main.py:643]
{rank 0/100} MD step = 276300 step time: 00:00:00.017972 Performance: 503.530 ns/day 0.048 hours/ns 29.139 steps/s 2023-02-20 04:05:10,895 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 60.016 -33426 6577.9 -40004 -40004 9.012 5.4579 -0.31705 4.7369e+05 2023-02-20 04:05:12,719 INFO [main.py:643]
{rank 0/100} MD step = 276400 step time: 00:00:00.018240 Performance: 503.539 ns/day 0.048 hours/ns 29.140 steps/s 2023-02-20 04:05:13,974 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 276400 55280 60.702 -33493 6653.1 -40146 -40146 9.0166 5.4585 -0.3166 4.7388e+05 2023-02-20 04:05:15,856 INFO [main.py:643]
{rank 0/100} MD step = 276500 step time: 00:00:00.018170 Performance: 503.555 ns/day 0.048 hours/ns 29.141 steps/s 2023-02-20 04:05:17,075 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 59.882 -33488 6563.1 -40051 -40051 9.0199 5.461 -0.31768 4.7405e+05 2023-02-20 04:05:18,963 INFO [main.py:643]
{rank 0/100} MD step = 276600 step time: 00:00:00.018052 Performance: 503.572 ns/day 0.048 hours/ns 29.142 steps/s 2023-02-20 04:05:20,294 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 59.774 -33530 6551.3 -40082 -40082 9.0229 5.4614 -0.31723 4.7419e+05 2023-02-20 04:05:22,182 INFO [main.py:643]
{rank 0/100} MD step = 276700 step time: 00:00:00.018108 Performance: 503.583 ns/day 0.048 hours/ns 29.143 steps/s 2023-02-20 04:05:23,355 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 60.27 -33477 6605.7 -40083 -40083 9.0267 5.4618 -0.31849 4.7435e+05 2023-02-20 04:05:25,332 INFO [main.py:643]
{rank 0/100} MD step = 276800 step time: 00:00:00.026460 Performance: 503.598 ns/day 0.048 hours/ns 29.143 steps/s 2023-02-20 04:05:26,639 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 60.332 -33428 6612.4 -40040 -40040 9.031 5.4625 -0.3181 4.7454e+05 2023-02-20 04:05:28,502 INFO [main.py:643]
{rank 0/100} MD step = 276900 step time: 00:00:00.018010 Performance: 503.612 ns/day 0.048 hours/ns 29.144 steps/s 2023-02-20 04:05:29,720 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 59.517 -33573 6523.2 -40096 -40096 9.0336 5.4653 -0.31861 4.747e+05 2023-02-20 04:05:31,610 INFO [main.py:643]
{rank 0/100} MD step = 277000 step time: 00:00:00.017999 Performance: 503.629 ns/day 0.048 hours/ns 29.145 steps/s 2023-02-20 04:05:32,815 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 59.598 -33653 6532 -40185 -40185 9.0403 5.4663 -0.32116 4.7484e+05 2023-02-20 04:05:34,790 INFO [main.py:643]
{rank 0/100} MD step = 277100 step time: 00:00:00.018015 Performance: 503.642 ns/day 0.048 hours/ns 29.146 steps/s 2023-02-20 04:05:36,384 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 60.403 -33538 6620.2 -40159 -40159 9.0436 5.4675 -0.32251 4.7502e+05 2023-02-20 04:05:38,352 INFO [main.py:643]
{rank 0/100} MD step = 277200 step time: 00:00:00.018086 Performance: 503.635 ns/day 0.048 hours/ns 29.146 steps/s 2023-02-20 04:05:39,586 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 277200 55440 60.282 -33491 6607 -40098 -40098 9.0483 5.4704 -0.32136 4.7518e+05 2023-02-20 04:05:41,560 INFO [main.py:643]
{rank 0/100} MD step = 277300 step time: 00:00:00.018096 Performance: 503.647 ns/day 0.048 hours/ns 29.146 steps/s 2023-02-20 04:05:42,885 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 59.987 -33467 6574.7 -40041 -40041 9.0496 5.4726 -0.32103 4.7538e+05 2023-02-20 04:05:44,698 INFO [main.py:643]
{rank 0/100} MD step = 277400 step time: 00:00:00.018295 Performance: 503.663 ns/day 0.048 hours/ns 29.147 steps/s 2023-02-20 04:05:46,036 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 59.647 -33610 6537.4 -40147 -40147 9.0531 5.4747 -0.32104 4.7551e+05 2023-02-20 04:05:47,875 INFO [main.py:643]
{rank 0/100} MD step = 277500 step time: 00:00:00.018116 Performance: 503.676 ns/day 0.048 hours/ns 29.148 steps/s 2023-02-20 04:05:49,112 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 59.98 -33405 6573.9 -39979 -39979 9.0551 5.4774 -0.32168 4.757e+05 2023-02-20 04:05:51,073 INFO [main.py:643]
{rank 0/100} MD step = 277600 step time: 00:00:00.018203 Performance: 503.689 ns/day 0.048 hours/ns 29.149 steps/s 2023-02-20 04:05:53,292 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 60.149 -33644 6592.4 -40236 -40236 9.0599 5.4783 -0.3199 4.7586e+05 2023-02-20 04:05:55,140 INFO [main.py:643]
{rank 0/100} MD step = 277700 step time: 00:00:00.018327 Performance: 503.655 ns/day 0.048 hours/ns 29.147 steps/s 2023-02-20 04:05:56,353 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 59.605 -33649 6532.8 -40182 -40182 9.0645 5.4805 -0.31956 4.7605e+05 2023-02-20 04:05:58,769 INFO [main.py:643]
{rank 0/100} MD step = 277800 step time: 00:00:00.018064 Performance: 503.644 ns/day 0.048 hours/ns 29.146 steps/s 2023-02-20 04:06:01,310 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 59.645 -33652 6537.2 -40189 -40189 9.0709 5.4821 -0.31996 4.7619e+05 2023-02-20 04:06:03,268 INFO [main.py:643]
{rank 0/100} MD step = 277900 step time: 00:00:00.017997 Performance: 503.588 ns/day 0.048 hours/ns 29.143 steps/s 2023-02-20 04:06:04,734 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 59.056 -33656 6472.7 -40129 -40129 9.0742 5.4826 -0.32128 4.7637e+05 2023-02-20 04:06:06,761 INFO [main.py:643]
{rank 0/100} MD step = 278000 step time: 00:00:00.018181 Performance: 503.586 ns/day 0.048 hours/ns 29.143 steps/s 2023-02-20 04:06:08,103 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 59.872 -33512 6562.1 -40074 -40074 9.0802 5.4856 -0.32004 4.7659e+05 2023-02-20 04:06:09,944 INFO [main.py:643]
{rank 0/100} MD step = 278100 step time: 00:00:00.018462 Performance: 503.598 ns/day 0.048 hours/ns 29.143 steps/s 2023-02-20 04:06:11,387 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 59.813 -33523 6555.6 -40078 -40078 9.0825 5.4886 -0.31927 4.7672e+05 2023-02-20 04:06:13,345 INFO [main.py:643]
{rank 0/100} MD step = 278200 step time: 00:00:00.018040 Performance: 503.599 ns/day 0.048 hours/ns 29.143 steps/s 2023-02-20 04:06:14,525 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 59.944 -33619 6569.9 -40189 -40189 9.0879 5.4891 -0.318 4.7686e+05 2023-02-20 04:06:16,501 INFO [main.py:643]
{rank 0/100} MD step = 278300 step time: 00:00:00.018002 Performance: 503.614 ns/day 0.048 hours/ns 29.144 steps/s 2023-02-20 04:06:17,770 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 59.261 -33610 6495.1 -40105 -40105 9.0923 5.491 -0.31878 4.7705e+05 2023-02-20 04:06:19,731 INFO [main.py:643]
{rank 0/100} MD step = 278400 step time: 00:00:00.017987 Performance: 503.625 ns/day 0.048 hours/ns 29.145 steps/s 2023-02-20 04:06:21,138 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 60.465 -33527 6627 -40154 -40154 9.0949 5.4936 -0.31834 4.7718e+05 2023-02-20 04:06:22,941 INFO [main.py:643]
{rank 0/100} MD step = 278500 step time: 00:00:00.018102 Performance: 503.636 ns/day 0.048 hours/ns 29.146 steps/s 2023-02-20 04:06:24,345 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 60.176 -33543 6595.3 -40139 -40139 9.1 5.4967 -0.31905 4.7735e+05 2023-02-20 04:06:26,259 INFO [main.py:643]
{rank 0/100} MD step = 278600 step time: 00:00:00.017831 Performance: 503.642 ns/day 0.048 hours/ns 29.146 steps/s 2023-02-20 04:06:27,854 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 59.554 -33555 6527.1 -40082 -40082 9.1028 5.4986 -0.31912 4.7752e+05 2023-02-20 04:06:29,955 INFO [main.py:643]
{rank 0/100} MD step = 278700 step time: 00:00:00.017985 Performance: 503.628 ns/day 0.048 hours/ns 29.145 steps/s 2023-02-20 04:06:31,429 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 59.966 -33526 6572.4 -40099 -40099 9.107 5.5007 -0.32057 4.7769e+05 2023-02-20 04:06:33,309 INFO [main.py:643]
{rank 0/100} MD step = 278800 step time: 00:00:00.017961 Performance: 503.632 ns/day 0.048 hours/ns 29.145 steps/s 2023-02-20 04:06:34,730 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 60.243 -33467 6602.7 -40069 -40069 9.1114 5.5027 -0.32091 4.7784e+05 2023-02-20 04:06:36,668 INFO [main.py:643]
{rank 0/100} MD step = 278900 step time: 00:00:00.017971 Performance: 503.636 ns/day 0.048 hours/ns 29.146 steps/s 2023-02-20 04:06:38,074 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 59.309 -33582 6500.3 -40082 -40082 9.1146 5.504 -0.31948 4.7801e+05 2023-02-20 04:06:40,031 INFO [main.py:643]
{rank 0/100} MD step = 279000 step time: 00:00:00.018166 Performance: 503.640 ns/day 0.048 hours/ns 29.146 steps/s 2023-02-20 04:06:41,148 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 60.081 -33603 6585 -40188 -40188 9.1179 5.5059 -0.31941 4.7818e+05 2023-02-20 04:06:43,165 INFO [main.py:643]
{rank 0/100} MD step = 279100 step time: 00:00:00.017960 Performance: 503.655 ns/day 0.048 hours/ns 29.147 steps/s 2023-02-20 04:06:44,458 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 279100 55820 60.058 -33692 6582.5 -40275 -40275 9.1236 5.5087 -0.31962 4.7837e+05 2023-02-20 04:06:46,356 INFO [main.py:643]
{rank 0/100} MD step = 279200 step time: 00:00:00.018296 Performance: 503.668 ns/day 0.048 hours/ns 29.147 steps/s 2023-02-20 04:06:47,985 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 60.279 -33411 6606.7 -40018 -40018 9.126 5.5113 -0.31941 4.7855e+05 2023-02-20 04:06:49,855 INFO [main.py:643]
{rank 0/100} MD step = 279300 step time: 00:00:00.018105 Performance: 503.664 ns/day 0.048 hours/ns 29.147 steps/s 2023-02-20 04:06:51,308 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 60.245 -33410 6602.9 -40013 -40013 9.1275 5.5132 -0.31855 4.7877e+05 2023-02-20 04:06:53,242 INFO [main.py:643]
{rank 0/100} MD step = 279400 step time: 00:00:00.017944 Performance: 503.667 ns/day 0.048 hours/ns 29.147 steps/s 2023-02-20 04:06:54,480 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 60.237 -33531 6602.1 -40134 -40134 9.1299 5.5145 -0.31886 4.7888e+05 2023-02-20 04:06:56,554 INFO [main.py:643]
{rank 0/100} MD step = 279500 step time: 00:00:00.020242 Performance: 503.673 ns/day 0.048 hours/ns 29.148 steps/s 2023-02-20 04:06:58,712 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 61.665 -33321 6758.6 -40080 -40080 9.1335 5.5162 -0.31817 4.7909e+05 2023-02-20 04:07:00,772 INFO [main.py:643]
{rank 0/100} MD step = 279600 step time: 00:00:00.018367 Performance: 503.632 ns/day 0.048 hours/ns 29.145 steps/s 2023-02-20 04:07:02,582 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 59.909 -33464 6566.1 -40030 -40030 9.1362 5.5176 -0.31823 4.7923e+05 2023-02-20 04:07:04,421 INFO [main.py:643]
{rank 0/100} MD step = 279700 step time: 00:00:00.017887 Performance: 503.620 ns/day 0.048 hours/ns 29.145 steps/s 2023-02-20 04:07:05,691 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 279700 55940 60.156 -33520 6593.2 -40113 -40113 9.1404 5.5184 -0.3188 4.7939e+05 2023-02-20 04:07:07,795 INFO [main.py:643]
{rank 0/100} MD step = 279800 step time: 00:00:00.017835 Performance: 503.623 ns/day 0.048 hours/ns 29.145 steps/s 2023-02-20 04:07:08,998 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 60.304 -33544 6609.4 -40154 -40154 9.1426 5.5185 -0.31805 4.7957e+05 2023-02-20 04:07:10,911 INFO [main.py:643]
{rank 0/100} MD step = 279900 step time: 00:00:00.018351 Performance: 503.640 ns/day 0.048 hours/ns 29.146 steps/s 2023-02-20 04:07:12,786 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 59.779 -33527 6551.8 -40079 -40079 9.1458 5.5201 -0.31633 4.7975e+05 2023-02-20 04:07:14,701 INFO [main.py:643]
{rank 0/100} MD step = 280000 step time: 00:00:00.018071 Performance: 503.621 ns/day 0.048 hours/ns 29.145 steps/s 2023-02-20 04:07:16,515 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 60.619 -33482 6643.9 -40126 -40126 9.1504 5.5217 -0.31386 4.7996e+05 2023-02-20 04:07:19,015 INFO [main.py:643]
{rank 0/100} MD step = 280100 step time: 00:00:00.018015 Performance: 503.575 ns/day 0.048 hours/ns 29.142 steps/s 2023-02-20 04:07:20,964 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 60 -33517 6576.1 -40093 -40093 9.1518 5.5243 -0.313 4.8011e+05 2023-02-20 04:07:22,803 INFO [main.py:643]
{rank 0/100} MD step = 280200 step time: 00:00:00.018284 Performance: 503.556 ns/day 0.048 hours/ns 29.141 steps/s 2023-02-20 04:07:24,495 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 60.634 -33514 6645.6 -40159 -40159 9.1558 5.5243 -0.31473 4.8031e+05 2023-02-20 04:07:26,438 INFO [main.py:643]
{rank 0/100} MD step = 280300 step time: 00:00:00.018461 Performance: 503.545 ns/day 0.048 hours/ns 29.140 steps/s 2023-02-20 04:07:28,253 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 60.176 -33368 6595.4 -39964 -39964 9.1608 5.5257 -0.31518 4.805e+05 2023-02-20 04:07:30,298 INFO [main.py:643]
{rank 0/100} MD step = 280400 step time: 00:00:00.017934 Performance: 503.523 ns/day 0.048 hours/ns 29.139 steps/s 2023-02-20 04:07:31,696 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 59.885 -33547 6563.5 -40110 -40110 9.1656 5.5295 -0.31621 4.8065e+05 2023-02-20 04:07:33,674 INFO [main.py:643]
{rank 0/100} MD step = 280500 step time: 00:00:00.018117 Performance: 503.526 ns/day 0.048 hours/ns 29.139 steps/s 2023-02-20 04:07:35,293 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 58.969 -33617 6463 -40080 -40080 9.1685 5.5322 -0.31613 4.8078e+05 2023-02-20 04:07:37,141 INFO [main.py:643]
{rank 0/100} MD step = 280600 step time: 00:00:00.018270 Performance: 503.524 ns/day 0.048 hours/ns 29.139 steps/s 2023-02-20 04:07:38,678 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 280600 56120 59.214 -33692 6489.9 -40181 -40181 9.1712 5.5336 -0.3162 4.8097e+05 2023-02-20 04:07:40,492 INFO [main.py:643]
{rank 0/100} MD step = 280700 step time: 00:00:00.018060 Performance: 503.528 ns/day 0.048 hours/ns 29.139 steps/s 2023-02-20 04:07:41,365 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 59.864 -33697 6561.2 -40258 -40258 9.1753 5.5362 -0.31721 4.8109e+05 2023-02-20 04:07:43,743 INFO [main.py:643]
{rank 0/100} MD step = 280800 step time: 00:00:00.018085 Performance: 503.538 ns/day 0.048 hours/ns 29.140 steps/s 2023-02-20 04:07:45,632 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 59.6 -33571 6532.2 -40103 -40103 9.1782 5.5373 -0.31717 4.813e+05 2023-02-20 04:07:47,498 INFO [main.py:643]
{rank 0/100} MD step = 280900 step time: 00:00:00.018176 Performance: 503.521 ns/day 0.048 hours/ns 29.139 steps/s 2023-02-20 04:07:48,934 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 60.638 -33479 6646 -40125 -40125 9.1805 5.5398 -0.3169 4.8144e+05 2023-02-20 04:07:50,912 INFO [main.py:643]
{rank 0/100} MD step = 281000 step time: 00:00:00.018619 Performance: 503.522 ns/day 0.048 hours/ns 29.139 steps/s 2023-02-20 04:07:53,131 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 60.046 -33569 6581.1 -40151 -40151 9.1859 5.5425 -0.31678 4.8161e+05 2023-02-20 04:07:55,054 INFO [main.py:643]
{rank 0/100} MD step = 281100 step time: 00:00:00.018042 Performance: 503.485 ns/day 0.048 hours/ns 29.137 steps/s 2023-02-20 04:07:57,737 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 59.55 -33506 6526.7 -40033 -40033 9.1908 5.544 -0.31661 4.8179e+05 2023-02-20 04:07:59,632 INFO [main.py:643]
{rank 0/100} MD step = 281200 step time: 00:00:00.018115 Performance: 503.425 ns/day 0.048 hours/ns 29.133 steps/s 2023-02-20 04:08:00,933 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 59.874 -33578 6562.3 -40140 -40140 9.1957 5.5478 -0.31792 4.8197e+05 2023-02-20 04:08:02,817 INFO [main.py:643]
{rank 0/100} MD step = 281300 step time: 00:00:00.017743 Performance: 503.438 ns/day 0.048 hours/ns 29.134 steps/s 2023-02-20 04:08:04,327 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 59.82 -33484 6556.4 -40041 -40041 9.1989 5.5498 -0.31694 4.8213e+05 2023-02-20 04:08:06,172 INFO [main.py:643]
{rank 0/100} MD step = 281400 step time: 00:00:00.017934 Performance: 503.442 ns/day 0.048 hours/ns 29.134 steps/s 2023-02-20 04:08:08,042 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 59.727 -33455 6546.2 -40002 -40002 9.2011 5.5525 -0.31634 4.8232e+05 2023-02-20 04:08:09,858 INFO [main.py:643]
{rank 0/100} MD step = 281500 step time: 00:00:00.018220 Performance: 503.429 ns/day 0.048 hours/ns 29.134 steps/s 2023-02-20 04:08:11,726 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 59.611 -33522 6533.4 -40055 -40055 9.2078 5.5549 -0.31686 4.8249e+05 2023-02-20 04:08:13,601 INFO [main.py:643]
{rank 0/100} MD step = 281600 step time: 00:00:00.018076 Performance: 503.412 ns/day 0.048 hours/ns 29.133 steps/s 2023-02-20 04:08:15,013 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 60.017 -33511 6578 -40089 -40089 9.2109 5.5559 -0.3195 4.8267e+05 2023-02-20 04:08:16,977 INFO [main.py:643]
{rank 0/100} MD step = 281700 step time: 00:00:00.018135 Performance: 503.415 ns/day 0.048 hours/ns 29.133 steps/s 2023-02-20 04:08:18,233 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 281700 56340 60.664 -33412 6648.8 -40061 -40061 9.2155 5.5561 -0.31899 4.8283e+05 2023-02-20 04:08:20,148 INFO [main.py:643]
{rank 0/100} MD step = 281800 step time: 00:00:00.018289 Performance: 503.429 ns/day 0.048 hours/ns 29.134 steps/s 2023-02-20 04:08:21,932 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 60.083 -33423 6585.2 -40008 -40008 9.2191 5.5578 -0.3179 4.8301e+05 2023-02-20 04:08:23,820 INFO [main.py:643]
{rank 0/100} MD step = 281900 step time: 00:00:00.017989 Performance: 503.416 ns/day 0.048 hours/ns 29.133 steps/s 2023-02-20 04:08:25,804 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 59.266 -33690 6495.7 -40186 -40186 9.2209 5.5588 -0.31827 4.8316e+05 2023-02-20 04:08:27,627 INFO [main.py:643]
{rank 0/100} MD step = 282000 step time: 00:00:00.017934 Performance: 503.397 ns/day 0.048 hours/ns 29.132 steps/s 2023-02-20 04:08:29,115 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 58.948 -33631 6460.7 -40092 -40092 9.2241 5.5606 -0.31758 4.8337e+05 2023-02-20 04:08:31,168 INFO [main.py:643]
{rank 0/100} MD step = 282100 step time: 00:00:00.018312 Performance: 503.391 ns/day 0.048 hours/ns 29.131 steps/s 2023-02-20 04:08:32,841 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 282100 56420 60.238 -33507 6602.2 -40109 -40109 9.2268 5.5608 -0.31872 4.8352e+05 2023-02-20 04:08:34,820 INFO [main.py:643]
{rank 0/100} MD step = 282200 step time: 00:00:00.018346 Performance: 503.380 ns/day 0.048 hours/ns 29.131 steps/s 2023-02-20 04:08:36,167 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 59.882 -33641 6563.2 -40204 -40204 9.2309 5.5625 -0.32046 4.8368e+05 2023-02-20 04:08:38,092 INFO [main.py:643]
{rank 0/100} MD step = 282300 step time: 00:00:00.018254 Performance: 503.388 ns/day 0.048 hours/ns 29.131 steps/s 2023-02-20 04:08:39,475 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 60.268 -33574 6605.4 -40179 -40179 9.2353 5.5629 -0.31993 4.8385e+05 2023-02-20 04:08:41,327 INFO [main.py:643]
{rank 0/100} MD step = 282400 step time: 00:00:00.018117 Performance: 503.399 ns/day 0.048 hours/ns 29.132 steps/s 2023-02-20 04:08:42,614 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 59.503 -33526 6521.6 -40048 -40048 9.2388 5.5636 -0.31958 4.8403e+05 2023-02-20 04:08:44,445 INFO [main.py:643]
{rank 0/100} MD step = 282500 step time: 00:00:00.018174 Performance: 503.415 ns/day 0.048 hours/ns 29.133 steps/s 2023-02-20 04:08:45,750 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 60.235 -33424 6601.8 -40026 -40026 9.2441 5.5664 -0.3203 4.8422e+05 2023-02-20 04:08:47,678 INFO [main.py:643]
{rank 0/100} MD step = 282600 step time: 00:00:00.017924 Performance: 503.425 ns/day 0.048 hours/ns 29.133 steps/s 2023-02-20 04:08:49,104 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 282600 56520 60.607 -33486 6642.6 -40128 -40128 9.2467 5.569 -0.3218 4.8437e+05 2023-02-20 04:08:51,044 INFO [main.py:643]
{rank 0/100} MD step = 282700 step time: 00:00:00.018064 Performance: 503.429 ns/day 0.048 hours/ns 29.134 steps/s 2023-02-20 04:08:52,460 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 60.705 -33519 6653.4 -40173 -40173 9.249 5.5693 -0.3227 4.8453e+05 2023-02-20 04:08:54,277 INFO [main.py:643]
{rank 0/100} MD step = 282800 step time: 00:00:00.018031 Performance: 503.439 ns/day 0.048 hours/ns 29.134 steps/s 2023-02-20 04:08:55,880 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 282800 56560 59.967 -33467 6572.5 -40039 -40039 9.2523 5.5702 -0.322 4.8474e+05 2023-02-20 04:08:57,783 INFO [main.py:643]
{rank 0/100} MD step = 282900 step time: 00:00:00.019817 Performance: 503.435 ns/day 0.048 hours/ns 29.134 steps/s 2023-02-20 04:08:59,108 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 59.692 -33718 6542.3 -40260 -40260 9.2541 5.5721 -0.32147 4.8489e+05 2023-02-20 04:09:01,079 INFO [main.py:643]
{rank 0/100} MD step = 283000 step time: 00:00:00.018101 Performance: 503.442 ns/day 0.048 hours/ns 29.134 steps/s 2023-02-20 04:09:02,481 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 60.04 -33573 6580.5 -40154 -40154 9.2566 5.5731 -0.32257 4.8507e+05 2023-02-20 04:09:04,323 INFO [main.py:643]
{rank 0/100} MD step = 283100 step time: 00:00:00.017830 Performance: 503.452 ns/day 0.048 hours/ns 29.135 steps/s 2023-02-20 04:09:06,846 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 59.755 -33659 6549.2 -40209 -40209 9.2565 5.5753 -0.32257 4.8523e+05 2023-02-20 04:09:08,819 INFO [main.py:643]
{rank 0/100} MD step = 283200 step time: 00:00:00.018050 Performance: 503.397 ns/day 0.048 hours/ns 29.132 steps/s 2023-02-20 04:09:10,286 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 60.611 -33575 6643 -40218 -40218 9.2568 5.5769 -0.32266 4.854e+05 2023-02-20 04:09:12,099 INFO [main.py:643]
{rank 0/100} MD step = 283300 step time: 00:00:00.018287 Performance: 503.405 ns/day 0.048 hours/ns 29.132 steps/s 2023-02-20 04:09:13,641 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 60.316 -33492 6610.7 -40103 -40103 9.2576 5.5781 -0.32289 4.8561e+05 2023-02-20 04:09:15,458 INFO [main.py:643]
{rank 0/100} MD step = 283400 step time: 00:00:00.017965 Performance: 503.409 ns/day 0.048 hours/ns 29.132 steps/s 2023-02-20 04:09:17,046 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 283400 56680 59.717 -33638 6545.1 -40183 -40183 9.2585 5.5795 -0.32295 4.8576e+05 2023-02-20 04:09:18,881 INFO [main.py:643]
{rank 0/100} MD step = 283500 step time: 00:00:00.018031 Performance: 503.409 ns/day 0.048 hours/ns 29.132 steps/s 2023-02-20 04:09:20,219 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 59.826 -33725 6557 -40282 -40282 9.2611 5.5815 -0.32348 4.8592e+05 2023-02-20 04:09:22,581 INFO [main.py:643]
{rank 0/100} MD step = 283600 step time: 00:00:00.018056 Performance: 503.395 ns/day 0.048 hours/ns 29.132 steps/s 2023-02-20 04:09:24,249 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 59.408 -33631 6511.2 -40142 -40142 9.2629 5.5835 -0.32504 4.8612e+05 2023-02-20 04:09:26,042 INFO [main.py:643]
{rank 0/100} MD step = 283700 step time: 00:00:00.018214 Performance: 503.394 ns/day 0.048 hours/ns 29.132 steps/s 2023-02-20 04:09:26,947 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 60.041 -33529 6580.6 -40110 -40110 9.2621 5.5856 -0.32537 4.8628e+05 2023-02-20 04:09:29,325 INFO [main.py:643]
{rank 0/100} MD step = 283800 step time: 00:00:00.018586 Performance: 503.402 ns/day 0.048 hours/ns 29.132 steps/s 2023-02-20 04:09:30,534 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 283800 56760 60.643 -33489 6646.5 -40136 -40136 9.262 5.5875 -0.32467 4.8643e+05 2023-02-20 04:09:32,502 INFO [main.py:643]
{rank 0/100} MD step = 283900 step time: 00:00:00.018531 Performance: 503.415 ns/day 0.048 hours/ns 29.133 steps/s 2023-02-20 04:09:33,703 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 59.597 -33644 6531.9 -40176 -40176 9.2634 5.5889 -0.32619 4.866e+05 2023-02-20 04:09:35,592 INFO [main.py:643]
{rank 0/100} MD step = 284000 step time: 00:00:00.018139 Performance: 503.433 ns/day 0.048 hours/ns 29.134 steps/s 2023-02-20 04:09:36,814 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 59.964 -33541 6572.2 -40113 -40113 9.2635 5.5928 -0.32528 4.8677e+05 2023-02-20 04:09:38,710 INFO [main.py:643]
{rank 0/100} MD step = 284100 step time: 00:00:00.020713 Performance: 503.449 ns/day 0.048 hours/ns 29.135 steps/s 2023-02-20 04:09:40,535 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 59.956 -33538 6571.3 -40109 -40109 9.2642 5.5952 -0.32512 4.8695e+05 2023-02-20 04:09:42,384 INFO [main.py:643]
{rank 0/100} MD step = 284200 step time: 00:00:00.018120 Performance: 503.436 ns/day 0.048 hours/ns 29.134 steps/s 2023-02-20 04:09:44,097 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 60.02 -33480 6578.3 -40058 -40058 9.2655 5.5972 -0.32577 4.8713e+05 2023-02-20 04:09:45,920 INFO [main.py:643]
{rank 0/100} MD step = 284300 step time: 00:00:00.018110 Performance: 503.431 ns/day 0.048 hours/ns 29.134 steps/s 2023-02-20 04:09:47,225 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 60.4 -33583 6619.9 -40203 -40203 9.2661 5.5988 -0.32619 4.8729e+05 2023-02-20 04:09:49,123 INFO [main.py:643]
{rank 0/100} MD step = 284400 step time: 00:00:00.018112 Performance: 503.443 ns/day 0.048 hours/ns 29.134 steps/s 2023-02-20 04:09:50,326 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 60.407 -33532 6620.6 -40153 -40153 9.2657 5.6007 -0.32745 4.8746e+05 2023-02-20 04:09:52,388 INFO [main.py:643]
{rank 0/100} MD step = 284500 step time: 00:00:00.018367 Performance: 503.451 ns/day 0.048 hours/ns 29.135 steps/s 2023-02-20 04:09:53,543 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 59.294 -33476 6498.7 -39975 -39975 9.268 5.6035 -0.32547 4.8769e+05 2023-02-20 04:09:55,494 INFO [main.py:643]
{rank 0/100} MD step = 284600 step time: 00:00:00.018118 Performance: 503.468 ns/day 0.048 hours/ns 29.136 steps/s 2023-02-20 04:09:56,718 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 60.621 -33553 6644.1 -40197 -40197 9.2678 5.6038 -0.32524 4.8782e+05 2023-02-20 04:09:58,599 INFO [main.py:643]
{rank 0/100} MD step = 284700 step time: 00:00:00.017973 Performance: 503.485 ns/day 0.048 hours/ns 29.137 steps/s 2023-02-20 04:09:59,881 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 60.892 -33470 6673.8 -40144 -40144 9.2704 5.6048 -0.32476 4.8802e+05 2023-02-20 04:10:01,747 INFO [main.py:643]
{rank 0/100} MD step = 284800 step time: 00:00:00.017912 Performance: 503.500 ns/day 0.048 hours/ns 29.138 steps/s 2023-02-20 04:10:03,039 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 60.002 -33569 6576.3 -40146 -40146 9.2714 5.6068 -0.32512 4.8818e+05 2023-02-20 04:10:04,866 INFO [main.py:643]
{rank 0/100} MD step = 284900 step time: 00:00:00.018557 Performance: 503.516 ns/day 0.048 hours/ns 29.139 steps/s 2023-02-20 04:10:06,240 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 59.913 -33532 6566.5 -40099 -40099 9.2729 5.6093 -0.32474 4.8835e+05 2023-02-20 04:10:08,087 INFO [main.py:643]
{rank 0/100} MD step = 285000 step time: 00:00:00.018400 Performance: 503.527 ns/day 0.048 hours/ns 29.139 steps/s 2023-02-20 04:10:09,060 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 59.4 -33559 6510.3 -40070 -40070 9.2745 5.6112 -0.3243 4.8852e+05 2023-02-20 04:10:11,441 INFO [main.py:643]
{rank 0/100} MD step = 285100 step time: 00:00:00.018099 Performance: 503.531 ns/day 0.048 hours/ns 29.140 steps/s 2023-02-20 04:10:12,780 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 59.786 -33536 6552.7 -40089 -40089 9.278 5.6162 -0.32492 4.8869e+05 2023-02-20 04:10:14,744 INFO [main.py:643]
{rank 0/100} MD step = 285200 step time: 00:00:00.018066 Performance: 503.537 ns/day 0.048 hours/ns 29.140 steps/s 2023-02-20 04:10:16,623 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 59.953 -33545 6570.9 -40116 -40116 9.279 5.6171 -0.32474 4.8881e+05 2023-02-20 04:10:18,496 INFO [main.py:643]
{rank 0/100} MD step = 285300 step time: 00:00:00.018069 Performance: 503.521 ns/day 0.048 hours/ns 29.139 steps/s 2023-02-20 04:10:20,173 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 60.321 -33399 6611.3 -40010 -40010 9.2809 5.6177 -0.32376 4.8899e+05 2023-02-20 04:10:22,029 INFO [main.py:643]
{rank 0/100} MD step = 285400 step time: 00:00:00.018290 Performance: 503.516 ns/day 0.048 hours/ns 29.139 steps/s 2023-02-20 04:10:23,269 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 60.272 -33564 6605.8 -40170 -40170 9.2831 5.618 -0.32286 4.8917e+05 2023-02-20 04:10:25,729 INFO [main.py:643]
{rank 0/100} MD step = 285500 step time: 00:00:00.018282 Performance: 503.502 ns/day 0.048 hours/ns 29.138 steps/s 2023-02-20 04:10:27,173 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 285500 57100 60.229 -33473 6601.2 -40074 -40074 9.2861 5.6198 -0.32376 4.8936e+05 2023-02-20 04:10:29,002 INFO [main.py:643]
{rank 0/100} MD step = 285600 step time: 00:00:00.018238 Performance: 503.510 ns/day 0.048 hours/ns 29.138 steps/s 2023-02-20 04:10:30,278 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 60.123 -33506 6589.6 -40095 -40095 9.2886 5.6199 -0.32487 4.8951e+05 2023-02-20 04:10:32,108 INFO [main.py:643]
{rank 0/100} MD step = 285700 step time: 00:00:00.017945 Performance: 503.527 ns/day 0.048 hours/ns 29.139 steps/s 2023-02-20 04:10:33,360 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 59.862 -33670 6560.9 -40231 -40231 9.2913 5.6234 -0.32615 4.8968e+05 2023-02-20 04:10:35,351 INFO [main.py:643]
{rank 0/100} MD step = 285800 step time: 00:00:00.018110 Performance: 503.536 ns/day 0.048 hours/ns 29.140 steps/s 2023-02-20 04:10:36,613 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 60.516 -33366 6632.6 -39998 -39998 9.2905 5.6238 -0.32819 4.8988e+05 2023-02-20 04:10:38,494 INFO [main.py:643]
{rank 0/100} MD step = 285900 step time: 00:00:00.018321 Performance: 503.551 ns/day 0.048 hours/ns 29.141 steps/s 2023-02-20 04:10:39,829 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 60.575 -33578 6639.1 -40217 -40217 9.2921 5.6248 -0.32905 4.9003e+05 2023-02-20 04:10:41,630 INFO [main.py:643]
{rank 0/100} MD step = 286000 step time: 00:00:00.018033 Performance: 503.566 ns/day 0.048 hours/ns 29.142 steps/s 2023-02-20 04:10:42,909 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 60.102 -33530 6587.3 -40117 -40117 9.2917 5.6278 -0.32889 4.9023e+05 2023-02-20 04:10:44,763 INFO [main.py:643]
{rank 0/100} MD step = 286100 step time: 00:00:00.017875 Performance: 503.582 ns/day 0.048 hours/ns 29.142 steps/s 2023-02-20 04:10:46,030 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 286100 57220 59.622 -33690 6534.7 -40225 -40225 9.2934 5.628 -0.32809 4.904e+05 2023-02-20 04:10:47,881 INFO [main.py:643]
{rank 0/100} MD step = 286200 step time: 00:00:00.018035 Performance: 503.598 ns/day 0.048 hours/ns 29.143 steps/s 2023-02-20 04:10:49,089 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 286200 57240 60.422 -33467 6622.3 -40089 -40089 9.2967 5.6278 -0.32678 4.9058e+05 2023-02-20 04:10:51,011 INFO [main.py:643]
{rank 0/100} MD step = 286300 step time: 00:00:00.018068 Performance: 503.613 ns/day 0.048 hours/ns 29.144 steps/s 2023-02-20 04:10:52,297 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 59.805 -33666 6554.7 -40221 -40221 9.2992 5.6275 -0.32734 4.9072e+05 2023-02-20 04:10:54,111 INFO [main.py:643]
{rank 0/100} MD step = 286400 step time: 00:00:00.018073 Performance: 503.630 ns/day 0.048 hours/ns 29.145 steps/s 2023-02-20 04:10:55,151 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 60.65 -33612 6647.3 -40260 -40260 9.3003 5.6289 -0.32703 4.9088e+05 2023-02-20 04:10:57,212 INFO [main.py:643]
{rank 0/100} MD step = 286500 step time: 00:00:00.018110 Performance: 503.647 ns/day 0.048 hours/ns 29.146 steps/s 2023-02-20 04:10:58,213 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 59.992 -33498 6575.2 -40073 -40073 9.3006 5.6303 -0.32712 4.9111e+05 2023-02-20 04:11:00,294 INFO [main.py:643]
{rank 0/100} MD step = 286600 step time: 00:00:00.018642 Performance: 503.665 ns/day 0.048 hours/ns 29.147 steps/s 2023-02-20 04:11:01,515 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 60.584 -33457 6640.1 -40097 -40097 9.3024 5.6304 -0.32861 4.9128e+05 2023-02-20 04:11:04,094 INFO [main.py:643]
{rank 0/100} MD step = 286700 step time: 00:00:00.017995 Performance: 503.646 ns/day 0.048 hours/ns 29.146 steps/s 2023-02-20 04:11:05,351 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 60.45 -33457 6625.4 -40082 -40082 9.3029 5.6316 -0.32755 4.9143e+05 2023-02-20 04:11:07,611 INFO [main.py:643]
{rank 0/100} MD step = 286800 step time: 00:00:00.018035 Performance: 503.642 ns/day 0.048 hours/ns 29.146 steps/s 2023-02-20 04:11:08,878 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 59.241 -33517 6492.8 -40010 -40010 9.305 5.6311 -0.32784 4.9161e+05 2023-02-20 04:11:10,806 INFO [main.py:643]
{rank 0/100} MD step = 286900 step time: 00:00:00.018344 Performance: 503.654 ns/day 0.048 hours/ns 29.147 steps/s 2023-02-20 04:11:11,711 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 59.72 -33671 6545.4 -40216 -40216 9.3059 5.6305 -0.32889 4.9174e+05 2023-02-20 04:11:14,159 INFO [main.py:643]
{rank 0/100} MD step = 287000 step time: 00:00:00.019679 Performance: 503.658 ns/day 0.048 hours/ns 29.147 steps/s 2023-02-20 04:11:15,203 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 59.476 -33532 6518.6 -40050 -40050 9.3082 5.631 -0.33026 4.9193e+05 2023-02-20 04:11:17,315 INFO [main.py:643]
{rank 0/100} MD step = 287100 step time: 00:00:00.018102 Performance: 503.672 ns/day 0.048 hours/ns 29.148 steps/s 2023-02-20 04:11:18,557 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 60.046 -33438 6581.1 -40019 -40019 9.3114 5.6316 -0.33158 4.9213e+05 2023-02-20 04:11:20,431 INFO [main.py:643]
{rank 0/100} MD step = 287200 step time: 00:00:00.018038 Performance: 503.688 ns/day 0.048 hours/ns 29.149 steps/s 2023-02-20 04:11:21,691 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 287200 57440 60.36 -33647 6615.5 -40262 -40262 9.3123 5.6332 -0.33158 4.9223e+05 2023-02-20 04:11:23,523 INFO [main.py:643]
{rank 0/100} MD step = 287300 step time: 00:00:00.018297 Performance: 503.705 ns/day 0.048 hours/ns 29.150 steps/s 2023-02-20 04:11:24,738 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 59.67 -33629 6539.9 -40169 -40169 9.3128 5.6335 -0.33202 4.9243e+05 2023-02-20 04:11:26,655 INFO [main.py:643]
{rank 0/100} MD step = 287400 step time: 00:00:00.017998 Performance: 503.721 ns/day 0.048 hours/ns 29.150 steps/s 2023-02-20 04:11:27,984 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 59.6 -33650 6532.2 -40182 -40182 9.3148 5.6345 -0.33048 4.9255e+05 2023-02-20 04:11:29,808 INFO [main.py:643]
{rank 0/100} MD step = 287500 step time: 00:00:00.017982 Performance: 503.735 ns/day 0.048 hours/ns 29.151 steps/s 2023-02-20 04:11:30,985 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 287500 57500 60.27 -33423 6605.7 -40029 -40029 9.3148 5.6374 -0.33081 4.9276e+05 2023-02-20 04:11:32,935 INFO [main.py:643]
{rank 0/100} MD step = 287600 step time: 00:00:00.018428 Performance: 503.750 ns/day 0.048 hours/ns 29.152 steps/s 2023-02-20 04:11:34,194 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 287600 57520 60.683 -33516 6650.9 -40167 -40167 9.3173 5.6385 -0.33261 4.9287e+05 2023-02-20 04:11:36,049 INFO [main.py:643]
{rank 0/100} MD step = 287700 step time: 00:00:00.017983 Performance: 503.766 ns/day 0.048 hours/ns 29.153 steps/s 2023-02-20 04:11:37,411 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 59.311 -33744 6500.5 -40245 -40245 9.3182 5.6389 -0.33358 4.9301e+05 2023-02-20 04:11:39,252 INFO [main.py:643]
{rank 0/100} MD step = 287800 step time: 00:00:00.018580 Performance: 503.778 ns/day 0.048 hours/ns 29.154 steps/s 2023-02-20 04:11:40,456 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 60.437 -33661 6623.9 -40285 -40285 9.3188 5.6395 -0.33269 4.9316e+05 2023-02-20 04:11:42,339 INFO [main.py:643]
{rank 0/100} MD step = 287900 step time: 00:00:00.017978 Performance: 503.795 ns/day 0.048 hours/ns 29.155 steps/s 2023-02-20 04:11:43,516 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 59.192 -33596 6487.6 -40084 -40084 9.32 5.6422 -0.33318 4.9337e+05 2023-02-20 04:11:45,432 INFO [main.py:643]
{rank 0/100} MD step = 288000 step time: 00:00:00.018000 Performance: 503.813 ns/day 0.048 hours/ns 29.156 steps/s 2023-02-20 04:11:46,764 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 60.013 -33642 6577.5 -40219 -40219 9.3204 5.642 -0.33304 4.9353e+05 2023-02-20 04:11:48,623 INFO [main.py:643]
{rank 0/100} MD step = 288100 step time: 00:00:00.018003 Performance: 503.825 ns/day 0.048 hours/ns 29.157 steps/s 2023-02-20 04:11:50,426 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 59.281 -33744 6497.3 -40242 -40242 9.3214 5.6421 -0.3332 4.9372e+05 2023-02-20 04:11:52,238 INFO [main.py:643]
{rank 0/100} MD step = 288200 step time: 00:00:00.018040 Performance: 503.815 ns/day 0.048 hours/ns 29.156 steps/s 2023-02-20 04:11:53,524 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 60.433 -33548 6623.6 -40171 -40171 9.3229 5.6435 -0.33328 4.9389e+05 2023-02-20 04:11:55,321 INFO [main.py:643]
{rank 0/100} MD step = 288300 step time: 00:00:00.017795 Performance: 503.833 ns/day 0.048 hours/ns 29.157 steps/s 2023-02-20 04:11:56,528 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 60.278 -33573 6606.6 -40179 -40179 9.3246 5.6447 -0.33265 4.9407e+05 2023-02-20 04:11:58,383 INFO [main.py:643]
{rank 0/100} MD step = 288400 step time: 00:00:00.018082 Performance: 503.852 ns/day 0.048 hours/ns 29.158 steps/s 2023-02-20 04:11:59,658 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 59.012 -33610 6467.8 -40078 -40078 9.3253 5.6446 -0.33324 4.9427e+05 2023-02-20 04:12:01,486 INFO [main.py:643]
{rank 0/100} MD step = 288500 step time: 00:00:00.018320 Performance: 503.868 ns/day 0.048 hours/ns 29.159 steps/s 2023-02-20 04:12:02,753 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 60.674 -33466 6650 -40116 -40116 9.3255 5.6465 -0.33345 4.9441e+05 2023-02-20 04:12:04,640 INFO [main.py:643]
{rank 0/100} MD step = 288600 step time: 00:00:00.018123 Performance: 503.882 ns/day 0.048 hours/ns 29.160 steps/s 2023-02-20 04:12:05,789 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 59.498 -33651 6521 -40172 -40172 9.3261 5.6474 -0.3348 4.9456e+05 2023-02-20 04:12:07,743 INFO [main.py:643]
{rank 0/100} MD step = 288700 step time: 00:00:00.017955 Performance: 503.899 ns/day 0.048 hours/ns 29.161 steps/s 2023-02-20 04:12:09,020 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 59.533 -33758 6524.8 -40282 -40282 9.3265 5.65 -0.33528 4.9472e+05 2023-02-20 04:12:10,949 INFO [main.py:643]
{rank 0/100} MD step = 288800 step time: 00:00:00.018207 Performance: 503.910 ns/day 0.048 hours/ns 29.161 steps/s 2023-02-20 04:12:12,274 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 288800 57760 59.582 -33806 6530.2 -40336 -40336 9.3265 5.6513 -0.3349 4.9491e+05 2023-02-20 04:12:14,170 INFO [main.py:643]
{rank 0/100} MD step = 288900 step time: 00:00:00.018028 Performance: 503.921 ns/day 0.048 hours/ns 29.162 steps/s 2023-02-20 04:12:15,524 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 59.524 -33676 6523.9 -40200 -40200 9.3277 5.6498 -0.3355 4.9508e+05 2023-02-20 04:12:17,415 INFO [main.py:643]
{rank 0/100} MD step = 289000 step time: 00:00:00.018593 Performance: 503.930 ns/day 0.048 hours/ns 29.163 steps/s 2023-02-20 04:12:20,101 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 289000 57800 60.618 -33337 6643.8 -39980 -39980 9.3265 5.6508 -0.33564 4.9534e+05 2023-02-20 04:12:21,912 INFO [main.py:643]
{rank 0/100} MD step = 289100 step time: 00:00:00.018008 Performance: 503.876 ns/day 0.048 hours/ns 29.159 steps/s 2023-02-20 04:12:23,414 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 59.589 -33625 6531 -40156 -40156 9.325 5.6525 -0.33565 4.9547e+05 2023-02-20 04:12:25,354 INFO [main.py:643]
{rank 0/100} MD step = 289200 step time: 00:00:00.018426 Performance: 503.875 ns/day 0.048 hours/ns 29.159 steps/s 2023-02-20 04:12:26,654 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 60.029 -33627 6579.3 -40206 -40206 9.3245 5.655 -0.33531 4.9561e+05 2023-02-20 04:12:28,531 INFO [main.py:643]
{rank 0/100} MD step = 289300 step time: 00:00:00.018059 Performance: 503.888 ns/day 0.048 hours/ns 29.160 steps/s 2023-02-20 04:12:29,881 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 60.588 -33438 6640.6 -40078 -40078 9.3239 5.6573 -0.33543 4.958e+05 2023-02-20 04:12:31,710 INFO [main.py:643]
{rank 0/100} MD step = 289400 step time: 00:00:00.018040 Performance: 503.901 ns/day 0.048 hours/ns 29.161 steps/s 2023-02-20 04:12:32,941 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 59.804 -33559 6554.6 -40113 -40113 9.3227 5.6575 -0.33607 4.9596e+05 2023-02-20 04:12:34,886 INFO [main.py:643]
{rank 0/100} MD step = 289500 step time: 00:00:00.018089 Performance: 503.914 ns/day 0.048 hours/ns 29.162 steps/s 2023-02-20 04:12:36,127 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 59.515 -33570 6523 -40093 -40093 9.3249 5.6595 -0.33801 4.9614e+05 2023-02-20 04:12:38,033 INFO [main.py:643]
{rank 0/100} MD step = 289600 step time: 00:00:00.018069 Performance: 503.928 ns/day 0.048 hours/ns 29.163 steps/s 2023-02-20 04:12:39,247 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 59.115 -33764 6479.1 -40243 -40243 9.3251 5.6617 -0.33762 4.9632e+05 2023-02-20 04:12:41,160 INFO [main.py:643]
{rank 0/100} MD step = 289700 step time: 00:00:00.018330 Performance: 503.943 ns/day 0.048 hours/ns 29.163 steps/s 2023-02-20 04:12:42,443 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 60.824 -33423 6666.4 -40089 -40089 9.326 5.6633 -0.33728 4.9651e+05 2023-02-20 04:12:44,301 INFO [main.py:643]
{rank 0/100} MD step = 289800 step time: 00:00:00.018226 Performance: 503.958 ns/day 0.048 hours/ns 29.164 steps/s 2023-02-20 04:12:45,611 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 59.819 -33642 6556.2 -40198 -40198 9.3245 5.6643 -0.33731 4.9666e+05 2023-02-20 04:12:47,507 INFO [main.py:643]
{rank 0/100} MD step = 289900 step time: 00:00:00.018078 Performance: 503.969 ns/day 0.048 hours/ns 29.165 steps/s 2023-02-20 04:12:50,736 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 59.545 -33652 6526.2 -40178 -40178 9.3272 5.666 -0.33564 4.9687e+05 2023-02-20 04:12:52,588 INFO [main.py:643]
{rank 0/100} MD step = 290000 step time: 00:00:00.018449 Performance: 503.886 ns/day 0.048 hours/ns 29.160 steps/s 2023-02-20 04:12:55,379 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 59.709 -33513 6544.2 -40057 -40057 9.3295 5.6671 -0.33784 4.9704e+05 2023-02-20 04:12:57,220 INFO [main.py:643]
{rank 0/100} MD step = 290100 step time: 00:00:00.017909 Performance: 503.825 ns/day 0.048 hours/ns 29.157 steps/s 2023-02-20 04:12:58,670 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 60.675 -33358 6650.1 -40008 -40008 9.332 5.6684 -0.33811 4.9721e+05 2023-02-20 04:13:00,491 INFO [main.py:643]
{rank 0/100} MD step = 290200 step time: 00:00:00.018077 Performance: 503.833 ns/day 0.048 hours/ns 29.157 steps/s 2023-02-20 04:13:01,863 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 60.021 -33575 6578.4 -40154 -40154 9.3329 5.6712 -0.33846 4.9737e+05 2023-02-20 04:13:03,705 INFO [main.py:643]
{rank 0/100} MD step = 290300 step time: 00:00:00.017971 Performance: 503.844 ns/day 0.048 hours/ns 29.158 steps/s 2023-02-20 04:13:04,936 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 59.837 -33634 6558.3 -40193 -40193 9.3348 5.6726 -0.33826 4.975e+05 2023-02-20 04:13:06,882 INFO [main.py:643]
{rank 0/100} MD step = 290400 step time: 00:00:00.018070 Performance: 503.856 ns/day 0.048 hours/ns 29.158 steps/s 2023-02-20 04:13:08,085 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 60.35 -33489 6614.4 -40103 -40103 9.3368 5.6751 -0.33743 4.977e+05 2023-02-20 04:13:10,026 INFO [main.py:643]
{rank 0/100} MD step = 290500 step time: 00:00:00.018311 Performance: 503.871 ns/day 0.048 hours/ns 29.159 steps/s 2023-02-20 04:13:11,313 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 59.764 -33534 6550.3 -40084 -40084 9.3394 5.6766 -0.33743 4.9787e+05 2023-02-20 04:13:13,199 INFO [main.py:643]
{rank 0/100} MD step = 290600 step time: 00:00:00.018093 Performance: 503.884 ns/day 0.048 hours/ns 29.160 steps/s 2023-02-20 04:13:13,993 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 59.559 -33601 6527.8 -40129 -40129 9.3412 5.6775 -0.33747 4.9801e+05 2023-02-20 04:13:16,346 INFO [main.py:643]
{rank 0/100} MD step = 290700 step time: 00:00:00.018021 Performance: 503.898 ns/day 0.048 hours/ns 29.161 steps/s 2023-02-20 04:13:17,677 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 60.119 -33545 6589.1 -40134 -40134 9.3431 5.6807 -0.33705 4.9818e+05 2023-02-20 04:13:19,548 INFO [main.py:643]
{rank 0/100} MD step = 290800 step time: 00:00:00.019874 Performance: 503.910 ns/day 0.048 hours/ns 29.161 steps/s 2023-02-20 04:13:20,882 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 60.108 -33521 6587.9 -40109 -40109 9.3446 5.6836 -0.33789 4.9834e+05 2023-02-20 04:13:22,830 INFO [main.py:643]
{rank 0/100} MD step = 290900 step time: 00:00:00.018351 Performance: 503.917 ns/day 0.048 hours/ns 29.162 steps/s 2023-02-20 04:13:24,195 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 290900 58180 59.419 -33688 6512.3 -40200 -40200 9.3461 5.6818 -0.33653 4.9849e+05 2023-02-20 04:13:26,034 INFO [main.py:643]
{rank 0/100} MD step = 291000 step time: 00:00:00.018116 Performance: 503.928 ns/day 0.048 hours/ns 29.163 steps/s 2023-02-20 04:13:27,361 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 60.564 -33459 6637.9 -40097 -40097 9.3475 5.6823 -0.33685 4.9866e+05 2023-02-20 04:13:29,193 INFO [main.py:643]
{rank 0/100} MD step = 291100 step time: 00:00:00.017966 Performance: 503.942 ns/day 0.048 hours/ns 29.163 steps/s 2023-02-20 04:13:30,105 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 59.554 -33621 6527.2 -40148 -40148 9.3505 5.6835 -0.33934 4.9885e+05 2023-02-20 04:13:32,432 INFO [main.py:643]
{rank 0/100} MD step = 291200 step time: 00:00:00.018007 Performance: 503.952 ns/day 0.048 hours/ns 29.164 steps/s 2023-02-20 04:13:33,888 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 60.264 -33601 6605.1 -40206 -40206 9.354 5.6852 -0.34105 4.9902e+05 2023-02-20 04:13:35,711 INFO [main.py:643]
{rank 0/100} MD step = 291300 step time: 00:00:00.018263 Performance: 503.959 ns/day 0.048 hours/ns 29.164 steps/s 2023-02-20 04:13:37,047 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 59.728 -33609 6546.3 -40156 -40156 9.3566 5.6867 -0.34077 4.9919e+05 2023-02-20 04:13:38,958 INFO [main.py:643]
{rank 0/100} MD step = 291400 step time: 00:00:00.017928 Performance: 503.968 ns/day 0.048 hours/ns 29.165 steps/s 2023-02-20 04:13:40,325 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 60.392 -33492 6619 -40111 -40111 9.3555 5.6865 -0.34246 4.9936e+05 2023-02-20 04:13:42,228 INFO [main.py:643]
{rank 0/100} MD step = 291500 step time: 00:00:00.018340 Performance: 503.976 ns/day 0.048 hours/ns 29.165 steps/s 2023-02-20 04:13:43,542 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 291500 58300 60.127 -33447 6590 -40037 -40037 9.359 5.687 -0.34311 4.9953e+05 2023-02-20 04:13:45,383 INFO [main.py:643]
{rank 0/100} MD step = 291600 step time: 00:00:00.017977 Performance: 503.990 ns/day 0.048 hours/ns 29.166 steps/s 2023-02-20 04:13:46,550 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 60.889 -33530 6673.5 -40203 -40203 9.3606 5.6878 -0.34206 4.9971e+05 2023-02-20 04:13:48,523 INFO [main.py:643]
{rank 0/100} MD step = 291700 step time: 00:00:00.018137 Performance: 504.005 ns/day 0.048 hours/ns 29.167 steps/s 2023-02-20 04:13:49,830 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 59.564 -33561 6528.3 -40089 -40089 9.3637 5.6877 -0.3416 4.9989e+05 2023-02-20 04:13:51,711 INFO [main.py:643]
{rank 0/100} MD step = 291800 step time: 00:00:00.018094 Performance: 504.017 ns/day 0.048 hours/ns 29.168 steps/s 2023-02-20 04:13:53,135 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 59.64 -33639 6536.6 -40176 -40176 9.3638 5.689 -0.34102 5.0003e+05 2023-02-20 04:13:55,009 INFO [main.py:643]
{rank 0/100} MD step = 291900 step time: 00:00:00.017962 Performance: 504.023 ns/day 0.048 hours/ns 29.168 steps/s 2023-02-20 04:13:56,199 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 61.026 -33500 6688.5 -40188 -40188 9.3663 5.6884 -0.34014 5.0022e+05 2023-02-20 04:13:58,101 INFO [main.py:643]
{rank 0/100} MD step = 292000 step time: 00:00:00.018139 Performance: 504.040 ns/day 0.048 hours/ns 29.169 steps/s 2023-02-20 04:13:59,369 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 60.179 -33574 6595.7 -40170 -40170 9.3682 5.6889 -0.3409 5.0039e+05 2023-02-20 04:14:01,203 INFO [main.py:643]
{rank 0/100} MD step = 292100 step time: 00:00:00.018081 Performance: 504.057 ns/day 0.048 hours/ns 29.170 steps/s 2023-02-20 04:14:02,477 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 60.075 -33579 6584.3 -40163 -40163 9.3696 5.6913 -0.34152 5.0058e+05 2023-02-20 04:14:04,416 INFO [main.py:643]
{rank 0/100} MD step = 292200 step time: 00:00:00.018128 Performance: 504.068 ns/day 0.048 hours/ns 29.171 steps/s 2023-02-20 04:14:05,954 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 292200 58440 59.622 -33636 6534.6 -40171 -40171 9.3721 5.6934 -0.33983 5.0071e+05 2023-02-20 04:14:07,840 INFO [main.py:643]
{rank 0/100} MD step = 292300 step time: 00:00:00.018048 Performance: 504.068 ns/day 0.048 hours/ns 29.171 steps/s 2023-02-20 04:14:09,127 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 59.489 -33614 6520 -40134 -40134 9.374 5.6962 -0.34088 5.0093e+05 2023-02-20 04:14:11,083 INFO [main.py:643]
{rank 0/100} MD step = 292400 step time: 00:00:00.017915 Performance: 504.077 ns/day 0.048 hours/ns 29.171 steps/s 2023-02-20 04:14:12,554 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 60.444 -33448 6624.7 -40072 -40072 9.3746 5.6972 -0.33965 5.011e+05 2023-02-20 04:14:14,356 INFO [main.py:643]
{rank 0/100} MD step = 292500 step time: 00:00:00.018002 Performance: 504.085 ns/day 0.048 hours/ns 29.172 steps/s 2023-02-20 04:14:15,710 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 60.259 -33457 6604.4 -40061 -40061 9.3753 5.699 -0.33975 5.0128e+05 2023-02-20 04:14:17,595 INFO [main.py:643]
{rank 0/100} MD step = 292600 step time: 00:00:00.019797 Performance: 504.094 ns/day 0.048 hours/ns 29.172 steps/s 2023-02-20 04:14:18,870 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 60.112 -33569 6588.3 -40157 -40157 9.3757 5.6995 -0.33851 5.0144e+05 2023-02-20 04:14:20,682 INFO [main.py:643]
{rank 0/100} MD step = 292700 step time: 00:00:00.018175 Performance: 504.112 ns/day 0.048 hours/ns 29.173 steps/s 2023-02-20 04:14:22,806 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 60.001 -33526 6576.2 -40102 -40102 9.3775 5.7007 -0.34013 5.0161e+05 2023-02-20 04:14:24,685 INFO [main.py:643]
{rank 0/100} MD step = 292800 step time: 00:00:00.018114 Performance: 504.083 ns/day 0.048 hours/ns 29.171 steps/s 2023-02-20 04:14:35,166 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 60.292 -33593 6608.1 -40201 -40201 9.377 5.7011 -0.33905 5.0175e+05 2023-02-20 04:14:37,006 INFO [main.py:643]
{rank 0/100} MD step = 292900 step time: 00:00:00.018232 Performance: 503.637 ns/day 0.048 hours/ns 29.146 steps/s 2023-02-20 04:14:38,347 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 60.209 -33501 6599 -40100 -40100 9.3798 5.7036 -0.33992 5.0195e+05 2023-02-20 04:14:40,183 INFO [main.py:643]
{rank 0/100} MD step = 293000 step time: 00:00:00.018094 Performance: 503.649 ns/day 0.048 hours/ns 29.146 steps/s 2023-02-20 04:14:43,774 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 58.512 -33619 6413 -40032 -40032 9.3817 5.7052 -0.34105 5.021e+05 2023-02-20 04:14:45,721 INFO [main.py:643]
{rank 0/100} MD step = 293100 step time: 00:00:00.018027 Performance: 503.544 ns/day 0.048 hours/ns 29.140 steps/s 2023-02-20 04:14:47,343 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 61.128 -33441 6699.7 -40141 -40141 9.3821 5.7065 -0.34164 5.0228e+05 2023-02-20 04:14:49,307 INFO [main.py:643]
{rank 0/100} MD step = 293200 step time: 00:00:00.018385 Performance: 503.536 ns/day 0.048 hours/ns 29.140 steps/s 2023-02-20 04:14:53,548 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 293200 58640 60.097 -33553 6586.8 -40139 -40139 9.3848 5.7063 -0.34166 5.0246e+05 2023-02-20 04:14:55,372 INFO [main.py:643]
{rank 0/100} MD step = 293300 step time: 00:00:00.018043 Performance: 503.404 ns/day 0.048 hours/ns 29.132 steps/s 2023-02-20 04:14:59,087 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 59.147 -33694 6482.6 -40176 -40176 9.3863 5.708 -0.34197 5.026e+05 2023-02-20 04:15:01,059 INFO [main.py:643]
{rank 0/100} MD step = 293400 step time: 00:00:00.018189 Performance: 503.292 ns/day 0.048 hours/ns 29.126 steps/s 2023-02-20 04:15:02,401 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 293400 58680 60.285 -33557 6607.3 -40164 -40164 9.389 5.7083 -0.3421 5.0281e+05 2023-02-20 04:15:04,242 INFO [main.py:643]
{rank 0/100} MD step = 293500 step time: 00:00:00.018025 Performance: 503.304 ns/day 0.048 hours/ns 29.126 steps/s 2023-02-20 04:15:05,495 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 293500 58700 59.429 -33607 6513.5 -40121 -40121 9.3919 5.7082 -0.34312 5.0298e+05 2023-02-20 04:15:07,374 INFO [main.py:643]
{rank 0/100} MD step = 293600 step time: 00:00:00.018036 Performance: 503.319 ns/day 0.048 hours/ns 29.127 steps/s 2023-02-20 04:15:10,372 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 59.307 -33645 6500.2 -40146 -40146 9.3935 5.7104 -0.34288 5.031e+05 2023-02-20 04:15:12,273 INFO [main.py:643]
{rank 0/100} MD step = 293700 step time: 00:00:00.017977 Performance: 503.246 ns/day 0.048 hours/ns 29.123 steps/s 2023-02-20 04:15:13,056 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 293700 58740 59.176 -33724 6485.8 -40210 -40210 9.3946 5.7115 -0.34173 5.0329e+05 2023-02-20 04:15:15,363 INFO [main.py:643]
{rank 0/100} MD step = 293800 step time: 00:00:00.017927 Performance: 503.263 ns/day 0.048 hours/ns 29.124 steps/s 2023-02-20 04:15:16,569 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 60.513 -33371 6632.3 -40004 -40004 9.3947 5.7143 -0.34135 5.0348e+05 2023-02-20 04:15:18,492 INFO [main.py:643]
{rank 0/100} MD step = 293900 step time: 00:00:00.018166 Performance: 503.278 ns/day 0.048 hours/ns 29.125 steps/s 2023-02-20 04:15:19,949 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 59.586 -33632 6530.8 -40163 -40163 9.3948 5.7147 -0.33994 5.0364e+05 2023-02-20 04:15:21,754 INFO [main.py:643]
{rank 0/100} MD step = 294000 step time: 00:00:00.017857 Performance: 503.287 ns/day 0.048 hours/ns 29.125 steps/s 2023-02-20 04:15:26,485 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 59.456 -33562 6516.4 -40078 -40078 9.3975 5.7153 -0.3396 5.038e+05 2023-02-20 04:15:28,398 INFO [main.py:643]
{rank 0/100} MD step = 294100 step time: 00:00:00.019535 Performance: 503.127 ns/day 0.048 hours/ns 29.116 steps/s 2023-02-20 04:15:29,658 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 59.926 -33688 6567.9 -40256 -40256 9.4011 5.7159 -0.34057 5.0391e+05 2023-02-20 04:15:31,536 INFO [main.py:643]
{rank 0/100} MD step = 294200 step time: 00:00:00.019043 Performance: 503.142 ns/day 0.048 hours/ns 29.117 steps/s 2023-02-20 04:15:32,701 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 59.256 -33574 6494.5 -40069 -40069 9.4012 5.7172 -0.3388 5.041e+05 2023-02-20 04:15:34,754 INFO [main.py:643]
{rank 0/100} MD step = 294300 step time: 00:00:00.017964 Performance: 503.153 ns/day 0.048 hours/ns 29.118 steps/s 2023-02-20 04:15:35,986 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 59.816 -33493 6556 -40049 -40049 9.4003 5.7199 -0.34044 5.0429e+05 2023-02-20 04:15:37,833 INFO [main.py:643]
{rank 0/100} MD step = 294400 step time: 00:00:00.018815 Performance: 503.170 ns/day 0.048 hours/ns 29.119 steps/s 2023-02-20 04:15:39,000 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 60.337 -33555 6613 -40168 -40168 9.4005 5.7206 -0.33956 5.0443e+05 2023-02-20 04:15:40,921 INFO [main.py:643]
{rank 0/100} MD step = 294500 step time: 00:00:00.018031 Performance: 503.187 ns/day 0.048 hours/ns 29.120 steps/s 2023-02-20 04:15:42,200 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 60.135 -33570 6590.9 -40161 -40161 9.4025 5.7219 -0.3411 5.046e+05 2023-02-20 04:15:44,048 INFO [main.py:643]
{rank 0/100} MD step = 294600 step time: 00:00:00.018088 Performance: 503.203 ns/day 0.048 hours/ns 29.121 steps/s 2023-02-20 04:15:45,249 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 59.664 -33554 6539.3 -40093 -40093 9.4036 5.7248 -0.34088 5.0475e+05 2023-02-20 04:15:47,208 INFO [main.py:643]
{rank 0/100} MD step = 294700 step time: 00:00:00.018247 Performance: 503.216 ns/day 0.048 hours/ns 29.121 steps/s 2023-02-20 04:15:48,455 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 60.194 -33514 6597.4 -40111 -40111 9.4061 5.7257 -0.34026 5.0489e+05 2023-02-20 04:15:50,355 INFO [main.py:643]
{rank 0/100} MD step = 294800 step time: 00:00:00.018091 Performance: 503.231 ns/day 0.048 hours/ns 29.122 steps/s 2023-02-20 04:15:51,642 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 60.623 -33487 6644.3 -40131 -40131 9.4075 5.7256 -0.34242 5.0506e+05 2023-02-20 04:15:53,489 INFO [main.py:643]
{rank 0/100} MD step = 294900 step time: 00:00:00.017915 Performance: 503.246 ns/day 0.048 hours/ns 29.123 steps/s 2023-02-20 04:15:54,695 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 59.612 -33630 6533.6 -40164 -40164 9.4088 5.7273 -0.3426 5.052e+05 2023-02-20 04:15:56,580 INFO [main.py:643]
{rank 0/100} MD step = 295000 step time: 00:00:00.018099 Performance: 503.263 ns/day 0.048 hours/ns 29.124 steps/s 2023-02-20 04:15:57,862 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 295000 59000 61.042 -33490 6690.3 -40180 -40180 9.4112 5.7277 -0.34292 5.0537e+05 2023-02-20 04:15:59,748 INFO [main.py:643]
{rank 0/100} MD step = 295100 step time: 00:00:00.018310 Performance: 503.276 ns/day 0.048 hours/ns 29.125 steps/s 2023-02-20 04:16:02,274 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 60.128 -33672 6590.1 -40262 -40262 9.4122 5.7288 -0.34267 5.0554e+05 2023-02-20 04:16:04,152 INFO [main.py:643]
{rank 0/100} MD step = 295200 step time: 00:00:00.018080 Performance: 503.228 ns/day 0.048 hours/ns 29.122 steps/s 2023-02-20 04:16:05,430 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 60.059 -33547 6582.6 -40130 -40130 9.4127 5.7307 -0.34413 5.0572e+05 2023-02-20 04:16:07,304 INFO [main.py:643]
{rank 0/100} MD step = 295300 step time: 00:00:00.018209 Performance: 503.242 ns/day 0.048 hours/ns 29.123 steps/s 2023-02-20 04:16:08,543 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 59.751 -33540 6548.7 -40089 -40089 9.4143 5.7327 -0.34353 5.0587e+05 2023-02-20 04:16:10,450 INFO [main.py:643]
{rank 0/100} MD step = 295400 step time: 00:00:00.018145 Performance: 503.256 ns/day 0.048 hours/ns 29.124 steps/s 2023-02-20 04:16:11,670 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 59.847 -33596 6559.4 -40155 -40155 9.4155 5.7345 -0.3455 5.0602e+05 2023-02-20 04:16:13,546 INFO [main.py:643]
{rank 0/100} MD step = 295500 step time: 00:00:00.018129 Performance: 503.273 ns/day 0.048 hours/ns 29.125 steps/s 2023-02-20 04:16:14,794 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 59.88 -33613 6562.9 -40176 -40176 9.4186 5.7363 -0.34466 5.0619e+05 2023-02-20 04:16:16,673 INFO [main.py:643]
{rank 0/100} MD step = 295600 step time: 00:00:00.018121 Performance: 503.288 ns/day 0.048 hours/ns 29.125 steps/s 2023-02-20 04:16:18,013 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 58.7 -33634 6433.5 -40067 -40067 9.4195 5.7395 -0.34257 5.064e+05 2023-02-20 04:16:19,861 INFO [main.py:643]
{rank 0/100} MD step = 295700 step time: 00:00:00.018101 Performance: 503.300 ns/day 0.048 hours/ns 29.126 steps/s 2023-02-20 04:16:21,159 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 61.206 -33403 6708.3 -40111 -40111 9.4226 5.7403 -0.34309 5.0657e+05 2023-02-20 04:16:23,851 INFO [main.py:643]
{rank 0/100} MD step = 295800 step time: 00:00:00.018177 Performance: 503.272 ns/day 0.048 hours/ns 29.125 steps/s 2023-02-20 04:16:25,020 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 59.505 -33637 6521.8 -40159 -40159 9.4238 5.7416 -0.34343 5.0674e+05 2023-02-20 04:16:26,936 INFO [main.py:643]
{rank 0/100} MD step = 295900 step time: 00:00:00.018385 Performance: 503.290 ns/day 0.048 hours/ns 29.126 steps/s 2023-02-20 04:16:28,313 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 59.964 -33424 6572.1 -39996 -39996 9.4255 5.7431 -0.34352 5.069e+05 2023-02-20 04:16:30,191 INFO [main.py:643]
{rank 0/100} MD step = 296000 step time: 00:00:00.017969 Performance: 503.298 ns/day 0.048 hours/ns 29.126 steps/s 2023-02-20 04:16:32,743 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 60.417 -33684 6621.7 -40305 -40305 9.4286 5.7446 -0.34333 5.0707e+05 2023-02-20 04:16:34,731 INFO [main.py:643]
{rank 0/100} MD step = 296100 step time: 00:00:00.019725 Performance: 503.244 ns/day 0.048 hours/ns 29.123 steps/s 2023-02-20 04:16:36,106 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 59.792 -33438 6553.3 -39991 -39991 9.4307 5.7464 -0.34313 5.0726e+05 2023-02-20 04:16:38,068 INFO [main.py:643]
{rank 0/100} MD step = 296200 step time: 00:00:00.017977 Performance: 503.248 ns/day 0.048 hours/ns 29.123 steps/s 2023-02-20 04:16:39,262 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 60.221 -33460 6600.3 -40060 -40060 9.4331 5.7482 -0.3447 5.0745e+05 2023-02-20 04:16:41,161 INFO [main.py:643]
{rank 0/100} MD step = 296300 step time: 00:00:00.018204 Performance: 503.265 ns/day 0.048 hours/ns 29.124 steps/s 2023-02-20 04:16:42,459 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 59.502 -33664 6521.4 -40185 -40185 9.4353 5.7489 -0.34543 5.0759e+05 2023-02-20 04:16:44,446 INFO [main.py:643]
{rank 0/100} MD step = 296400 step time: 00:00:00.018360 Performance: 503.273 ns/day 0.048 hours/ns 29.125 steps/s 2023-02-20 04:16:45,835 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 58.792 -33593 6443.7 -40036 -40036 9.4384 5.7515 -0.34399 5.0779e+05 2023-02-20 04:16:47,651 INFO [main.py:643]
{rank 0/100} MD step = 296500 step time: 00:00:00.018053 Performance: 503.284 ns/day 0.048 hours/ns 29.125 steps/s 2023-02-20 04:16:48,951 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 60.165 -33586 6594.2 -40181 -40181 9.4405 5.7528 -0.34276 5.0793e+05 2023-02-20 04:16:50,817 INFO [main.py:643]
{rank 0/100} MD step = 296600 step time: 00:00:00.018019 Performance: 503.297 ns/day 0.048 hours/ns 29.126 steps/s 2023-02-20 04:16:52,012 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 60.672 -33412 6649.7 -40061 -40061 9.4426 5.7529 -0.34283 5.081e+05 2023-02-20 04:16:53,917 INFO [main.py:643]
{rank 0/100} MD step = 296700 step time: 00:00:00.018299 Performance: 503.314 ns/day 0.048 hours/ns 29.127 steps/s 2023-02-20 04:16:55,121 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 59.84 -33618 6558.5 -40176 -40176 9.4454 5.7563 -0.34303 5.0826e+05 2023-02-20 04:16:57,032 INFO [main.py:643]
{rank 0/100} MD step = 296800 step time: 00:00:00.018055 Performance: 503.329 ns/day 0.048 hours/ns 29.128 steps/s 2023-02-20 04:16:58,292 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 296800 59360 60.001 -33560 6576.2 -40136 -40136 9.4455 5.7559 -0.34331 5.0844e+05 2023-02-20 04:17:00,185 INFO [main.py:643]
{rank 0/100} MD step = 296900 step time: 00:00:00.018068 Performance: 503.343 ns/day 0.048 hours/ns 29.129 steps/s 2023-02-20 04:17:01,352 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 60.006 -33455 6576.8 -40032 -40032 9.4463 5.7582 -0.34362 5.0862e+05 2023-02-20 04:17:03,275 INFO [main.py:643]
{rank 0/100} MD step = 297000 step time: 00:00:00.017997 Performance: 503.360 ns/day 0.048 hours/ns 29.130 steps/s 2023-02-20 04:17:04,515 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 297000 59400 60.094 -33556 6586.4 -40143 -40143 9.447 5.7582 -0.34394 5.0878e+05 2023-02-20 04:17:06,369 INFO [main.py:643]
{rank 0/100} MD step = 297100 step time: 00:00:00.018410 Performance: 503.377 ns/day 0.048 hours/ns 29.131 steps/s 2023-02-20 04:17:07,514 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 59.257 -33568 6494.7 -40063 -40063 9.4491 5.7584 -0.3425 5.09e+05 2023-02-20 04:17:09,518 INFO [main.py:643]
{rank 0/100} MD step = 297200 step time: 00:00:00.017988 Performance: 503.391 ns/day 0.048 hours/ns 29.131 steps/s 2023-02-20 04:17:10,701 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 58.951 -33751 6461.1 -40212 -40212 9.4524 5.7596 -0.34131 5.0913e+05 2023-02-20 04:17:12,605 INFO [main.py:643]
{rank 0/100} MD step = 297300 step time: 00:00:00.018392 Performance: 503.408 ns/day 0.048 hours/ns 29.132 steps/s 2023-02-20 04:17:13,835 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 59.188 -33727 6487 -40214 -40214 9.4548 5.7609 -0.34126 5.0931e+05 2023-02-20 04:17:15,732 INFO [main.py:643]
{rank 0/100} MD step = 297400 step time: 00:00:00.017924 Performance: 503.423 ns/day 0.048 hours/ns 29.133 steps/s 2023-02-20 04:17:17,011 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 59.661 -33700 6539 -40239 -40239 9.4567 5.7646 -0.34086 5.0948e+05 2023-02-20 04:17:18,870 INFO [main.py:643]
{rank 0/100} MD step = 297500 step time: 00:00:00.017999 Performance: 503.438 ns/day 0.048 hours/ns 29.134 steps/s 2023-02-20 04:17:20,065 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 60.78 -33564 6661.6 -40226 -40226 9.4572 5.7662 -0.34142 5.0966e+05 2023-02-20 04:17:21,984 INFO [main.py:643]
{rank 0/100} MD step = 297600 step time: 00:00:00.018952 Performance: 503.453 ns/day 0.048 hours/ns 29.135 steps/s 2023-02-20 04:17:23,206 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 59.897 -33483 6564.8 -40048 -40048 9.4585 5.7674 -0.34149 5.0984e+05 2023-02-20 04:17:25,187 INFO [main.py:643]
{rank 0/100} MD step = 297700 step time: 00:00:00.018330 Performance: 503.465 ns/day 0.048 hours/ns 29.136 steps/s 2023-02-20 04:17:26,403 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 297700 59540 59.304 -33661 6499.8 -40161 -40161 9.4606 5.7692 -0.34269 5.1003e+05 2023-02-20 04:17:28,325 INFO [main.py:643]
{rank 0/100} MD step = 297800 step time: 00:00:00.018126 Performance: 503.479 ns/day 0.048 hours/ns 29.137 steps/s 2023-02-20 04:17:29,509 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 61.029 -33533 6688.9 -40221 -40221 9.4626 5.7708 -0.34341 5.1018e+05 2023-02-20 04:17:31,394 INFO [main.py:643]
{rank 0/100} MD step = 297900 step time: 00:00:00.018117 Performance: 503.497 ns/day 0.048 hours/ns 29.138 steps/s 2023-02-20 04:17:32,584 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 59.748 -33588 6548.5 -40137 -40137 9.4624 5.7714 -0.34337 5.1038e+05 2023-02-20 04:17:34,525 INFO [main.py:643]
{rank 0/100} MD step = 298000 step time: 00:00:00.018215 Performance: 503.512 ns/day 0.048 hours/ns 29.138 steps/s 2023-02-20 04:17:35,692 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 60.439 -33416 6624.2 -40041 -40041 9.4631 5.7728 -0.34455 5.1056e+05 2023-02-20 04:17:37,642 INFO [main.py:643]
{rank 0/100} MD step = 298100 step time: 00:00:00.018076 Performance: 503.527 ns/day 0.048 hours/ns 29.139 steps/s 2023-02-20 04:17:38,808 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 59.836 -33541 6558.1 -40100 -40100 9.4639 5.7721 -0.34533 5.1075e+05 2023-02-20 04:17:40,820 INFO [main.py:643]
{rank 0/100} MD step = 298200 step time: 00:00:00.018139 Performance: 503.540 ns/day 0.048 hours/ns 29.140 steps/s 2023-02-20 04:17:43,455 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 59.356 -33563 6505.5 -40068 -40068 9.4669 5.7737 -0.34739 5.1092e+05 2023-02-20 04:17:45,500 INFO [main.py:643]
{rank 0/100} MD step = 298300 step time: 00:00:00.018047 Performance: 503.478 ns/day 0.048 hours/ns 29.136 steps/s 2023-02-20 04:17:46,834 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 298300 59660 59.767 -33614 6550.5 -40165 -40165 9.469 5.7726 -0.34699 5.1107e+05 2023-02-20 04:17:48,668 INFO [main.py:643]
{rank 0/100} MD step = 298400 step time: 00:00:00.018371 Performance: 503.491 ns/day 0.048 hours/ns 29.137 steps/s 2023-02-20 04:17:50,104 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 59.864 -33666 6561.2 -40227 -40227 9.4707 5.7722 -0.34638 5.1119e+05 2023-02-20 04:17:51,969 INFO [main.py:643]
{rank 0/100} MD step = 298500 step time: 00:00:00.018065 Performance: 503.498 ns/day 0.048 hours/ns 29.138 steps/s 2023-02-20 04:17:53,694 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 60.208 -33536 6598.9 -40135 -40135 9.4719 5.772 -0.34596 5.1135e+05 2023-02-20 04:17:55,644 INFO [main.py:643]
{rank 0/100} MD step = 298600 step time: 00:00:00.017968 Performance: 503.486 ns/day 0.048 hours/ns 29.137 steps/s 2023-02-20 04:17:56,919 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 60.722 -33370 6655.2 -40025 -40025 9.4741 5.7732 -0.34592 5.1155e+05 2023-02-20 04:17:58,858 INFO [main.py:643]
{rank 0/100} MD step = 298700 step time: 00:00:00.018071 Performance: 503.496 ns/day 0.048 hours/ns 29.138 steps/s 2023-02-20 04:17:59,989 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 60.2 -33601 6598 -40199 -40199 9.477 5.7746 -0.34626 5.117e+05 2023-02-20 04:18:02,085 INFO [main.py:643]
{rank 0/100} MD step = 298800 step time: 00:00:00.018123 Performance: 503.507 ns/day 0.048 hours/ns 29.138 steps/s 2023-02-20 04:18:04,978 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 59.967 -33607 6572.5 -40180 -40180 9.4779 5.775 -0.34702 5.1189e+05 2023-02-20 04:18:06,847 INFO [main.py:643]
{rank 0/100} MD step = 298900 step time: 00:00:00.017982 Performance: 503.441 ns/day 0.048 hours/ns 29.134 steps/s 2023-02-20 04:18:08,292 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 60.459 -33384 6626.4 -40011 -40011 9.4786 5.7758 -0.34751 5.1208e+05 2023-02-20 04:18:10,168 INFO [main.py:643]
{rank 0/100} MD step = 299000 step time: 00:00:00.018132 Performance: 503.447 ns/day 0.048 hours/ns 29.135 steps/s 2023-02-20 04:18:14,537 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 60.12 -33516 6589.2 -40105 -40105 9.4819 5.7769 -0.34829 5.1224e+05 2023-02-20 04:18:16,507 INFO [main.py:643]
{rank 0/100} MD step = 299100 step time: 00:00:00.018204 Performance: 503.304 ns/day 0.048 hours/ns 29.126 steps/s 2023-02-20 04:18:18,669 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 299100 59820 60.21 -33490 6599 -40089 -40089 9.4823 5.7791 -0.34857 5.1243e+05 2023-02-20 04:18:20,592 INFO [main.py:643]
{rank 0/100} MD step = 299200 step time: 00:00:00.018135 Performance: 503.272 ns/day 0.048 hours/ns 29.125 steps/s 2023-02-20 04:18:21,917 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 59.864 -33533 6561.2 -40094 -40094 9.4842 5.7791 -0.34817 5.1261e+05 2023-02-20 04:18:24,296 INFO [main.py:643]
{rank 0/100} MD step = 299300 step time: 00:00:00.018298 Performance: 503.259 ns/day 0.048 hours/ns 29.124 steps/s 2023-02-20 04:18:25,737 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 60.091 -33492 6586.1 -40078 -40078 9.4873 5.7794 -0.34802 5.1275e+05 2023-02-20 04:18:27,668 INFO [main.py:643]
{rank 0/100} MD step = 299400 step time: 00:00:00.018269 Performance: 503.262 ns/day 0.048 hours/ns 29.124 steps/s 2023-02-20 04:18:28,936 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 59.989 -33646 6574.9 -40221 -40221 9.4897 5.7803 -0.3481 5.1292e+05 2023-02-20 04:18:30,851 INFO [main.py:643]
{rank 0/100} MD step = 299500 step time: 00:00:00.018075 Performance: 503.274 ns/day 0.048 hours/ns 29.125 steps/s 2023-02-20 04:18:32,160 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 299500 59900 59.374 -33562 6507.5 -40069 -40069 9.4898 5.7797 -0.34844 5.1308e+05 2023-02-20 04:18:34,042 INFO [main.py:643]
{rank 0/100} MD step = 299600 step time: 00:00:00.018194 Performance: 503.286 ns/day 0.048 hours/ns 29.125 steps/s 2023-02-20 04:18:35,263 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 59.697 -33564 6542.9 -40107 -40107 9.4914 5.7815 -0.34812 5.1327e+05 2023-02-20 04:18:37,178 INFO [main.py:643]
{rank 0/100} MD step = 299700 step time: 00:00:00.018720 Performance: 503.301 ns/day 0.048 hours/ns 29.126 steps/s 2023-02-20 04:18:38,195 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 60.148 -33475 6592.2 -40067 -40067 9.4939 5.7844 -0.34802 5.1343e+05 2023-02-20 04:18:40,179 INFO [main.py:643]
{rank 0/100} MD step = 299800 step time: 00:00:00.018137 Performance: 503.322 ns/day 0.048 hours/ns 29.127 steps/s 2023-02-20 04:18:41,338 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 59.795 -33582 6553.6 -40136 -40136 9.4949 5.7856 -0.34948 5.1358e+05 2023-02-20 04:18:43,289 INFO [main.py:643]
{rank 0/100} MD step = 299900 step time: 00:00:00.018108 Performance: 503.338 ns/day 0.048 hours/ns 29.128 steps/s 2023-02-20 04:18:44,558 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 60.054 -33598 6582 -40180 -40180 9.4962 5.7859 -0.35066 5.1376e+05 2023-02-20 04:18:46,398 INFO [main.py:643]
{rank 0/100} MD step = 300000 step time: 00:00:00.018957 Performance: 503.354 ns/day 0.048 hours/ns 29.129 steps/s 2023-02-20 04:18:47,740 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 60.423 -33409 6622.4 -40031 -40031 9.4966 5.7876 -0.34892 5.1395e+05 2023-02-20 04:18:49,610 INFO [main.py:643]
{rank 0/100} MD step = 300100 step time: 00:00:00.018173 Performance: 503.364 ns/day 0.048 hours/ns 29.130 steps/s 2023-02-20 04:18:51,148 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 59.75 -33620 6548.7 -40169 -40169 9.4973 5.7894 -0.34884 5.1408e+05 2023-02-20 04:18:52,955 INFO [main.py:643]
{rank 0/100} MD step = 300200 step time: 00:00:00.018163 Performance: 503.369 ns/day 0.048 hours/ns 29.130 steps/s 2023-02-20 04:18:54,485 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 300200 60040 59.954 -33700 6571 -40271 -40271 9.4978 5.7906 -0.34882 5.1422e+05 2023-02-20 04:18:56,434 INFO [main.py:643]
{rank 0/100} MD step = 300300 step time: 00:00:00.017883 Performance: 503.366 ns/day 0.048 hours/ns 29.130 steps/s 2023-02-20 04:18:57,807 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 300300 60060 61.046 -33446 6690.8 -40137 -40137 9.4994 5.7927 -0.34945 5.1439e+05 2023-02-20 04:18:59,643 INFO [main.py:643]
{rank 0/100} MD step = 300400 step time: 00:00:00.018089 Performance: 503.377 ns/day 0.048 hours/ns 29.131 steps/s 2023-02-20 04:19:01,025 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 300400 60080 59.229 -33560 6491.5 -40051 -40051 9.5001 5.7937 -0.34833 5.1457e+05 2023-02-20 04:19:02,869 INFO [main.py:643]
{rank 0/100} MD step = 300500 step time: 00:00:00.018286 Performance: 503.387 ns/day 0.048 hours/ns 29.131 steps/s 2023-02-20 04:19:04,277 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 60.318 -33445 6611 -40056 -40056 9.5029 5.7954 -0.34811 5.1477e+05 2023-02-20 04:19:06,148 INFO [main.py:643]
{rank 0/100} MD step = 300600 step time: 00:00:00.018100 Performance: 503.395 ns/day 0.048 hours/ns 29.132 steps/s 2023-02-20 04:19:06,970 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 60.592 -33510 6640.9 -40151 -40151 9.5061 5.7977 -0.3468 5.149e+05 2023-02-20 04:19:09,327 INFO [main.py:643]
{rank 0/100} MD step = 300700 step time: 00:00:00.018154 Performance: 503.407 ns/day 0.048 hours/ns 29.132 steps/s 2023-02-20 04:19:10,641 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 300700 60140 59.526 -33559 6524.1 -40083 -40083 9.5094 5.799 -0.34787 5.1511e+05 2023-02-20 04:19:12,484 INFO [main.py:643]
{rank 0/100} MD step = 300800 step time: 00:00:00.018052 Performance: 503.421 ns/day 0.048 hours/ns 29.133 steps/s 2023-02-20 04:19:13,748 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 59.721 -33568 6545.5 -40114 -40114 9.5111 5.7995 -0.34772 5.1527e+05 2023-02-20 04:19:15,666 INFO [main.py:643]
{rank 0/100} MD step = 300900 step time: 00:00:00.018221 Performance: 503.433 ns/day 0.048 hours/ns 29.134 steps/s 2023-02-20 04:19:16,988 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 60.826 -33576 6666.6 -40243 -40243 9.5125 5.7986 -0.34983 5.1543e+05 2023-02-20 04:19:18,889 INFO [main.py:643]
{rank 0/100} MD step = 301000 step time: 00:00:00.017951 Performance: 503.443 ns/day 0.048 hours/ns 29.134 steps/s 2023-02-20 04:19:19,665 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 60.219 -33421 6600 -40021 -40021 9.5148 5.8005 -0.34848 5.1562e+05 2023-02-20 04:19:21,993 INFO [main.py:643]
{rank 0/100} MD step = 301100 step time: 00:00:00.018111 Performance: 503.459 ns/day 0.048 hours/ns 29.135 steps/s 2023-02-20 04:19:23,400 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 60.491 -33557 6629.9 -40187 -40187 9.5162 5.8009 -0.34817 5.1577e+05 2023-02-20 04:19:25,255 INFO [main.py:643]
{rank 0/100} MD step = 301200 step time: 00:00:00.018000 Performance: 503.467 ns/day 0.048 hours/ns 29.136 steps/s 2023-02-20 04:19:26,551 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 59.071 -33756 6474.3 -40231 -40231 9.5185 5.803 -0.34836 5.1594e+05 2023-02-20 04:19:28,494 INFO [main.py:643]
{rank 0/100} MD step = 301300 step time: 00:00:00.018259 Performance: 503.477 ns/day 0.048 hours/ns 29.136 steps/s 2023-02-20 04:19:29,733 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 301300 60260 59.238 -33621 6492.5 -40114 -40114 9.5182 5.8044 -0.34847 5.1616e+05 2023-02-20 04:19:31,637 INFO [main.py:643]
{rank 0/100} MD step = 301400 step time: 00:00:00.018071 Performance: 503.491 ns/day 0.048 hours/ns 29.137 steps/s 2023-02-20 04:19:32,855 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 59.099 -33797 6477.4 -40275 -40275 9.5212 5.8049 -0.3496 5.1627e+05 2023-02-20 04:19:34,828 INFO [main.py:643]
{rank 0/100} MD step = 301500 step time: 00:00:00.018401 Performance: 503.503 ns/day 0.048 hours/ns 29.138 steps/s 2023-02-20 04:19:36,014 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 60.405 -33474 6620.5 -40094 -40094 9.5226 5.8067 -0.35057 5.1645e+05 2023-02-20 04:19:37,981 INFO [main.py:643]
{rank 0/100} MD step = 301600 step time: 00:00:00.020553 Performance: 503.516 ns/day 0.048 hours/ns 29.139 steps/s 2023-02-20 04:19:39,235 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 60.183 -33502 6596.1 -40098 -40098 9.5227 5.807 -0.3492 5.1659e+05 2023-02-20 04:19:41,150 INFO [main.py:643]
{rank 0/100} MD step = 301700 step time: 00:00:00.017916 Performance: 503.529 ns/day 0.048 hours/ns 29.139 steps/s 2023-02-20 04:19:42,309 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 60.661 -33468 6648.6 -40116 -40116 9.5231 5.8083 -0.35217 5.1677e+05 2023-02-20 04:19:44,262 INFO [main.py:643]
{rank 0/100} MD step = 301800 step time: 00:00:00.017923 Performance: 503.545 ns/day 0.048 hours/ns 29.140 steps/s 2023-02-20 04:19:45,748 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 59.815 -33558 6555.8 -40114 -40114 9.5209 5.8104 -0.35194 5.1696e+05 2023-02-20 04:19:47,633 INFO [main.py:643]
{rank 0/100} MD step = 301900 step time: 00:00:00.017985 Performance: 503.547 ns/day 0.048 hours/ns 29.140 steps/s 2023-02-20 04:19:49,034 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 59.878 -33602 6562.7 -40165 -40165 9.5226 5.8117 -0.3512 5.1712e+05 2023-02-20 04:19:50,855 INFO [main.py:643]
{rank 0/100} MD step = 302000 step time: 00:00:00.018031 Performance: 503.558 ns/day 0.048 hours/ns 29.141 steps/s 2023-02-20 04:19:52,273 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 302000 60400 59.87 -33572 6561.8 -40134 -40134 9.5221 5.8135 -0.35004 5.1728e+05 2023-02-20 04:19:54,094 INFO [main.py:643]
{rank 0/100} MD step = 302100 step time: 00:00:00.018129 Performance: 503.567 ns/day 0.048 hours/ns 29.142 steps/s 2023-02-20 04:19:55,462 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 59.987 -33501 6574.7 -40076 -40076 9.5232 5.8135 -0.3492 5.1749e+05 2023-02-20 04:19:57,315 INFO [main.py:643]
{rank 0/100} MD step = 302200 step time: 00:00:00.017980 Performance: 503.577 ns/day 0.048 hours/ns 29.142 steps/s 2023-02-20 04:19:58,640 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 59.774 -33650 6551.3 -40201 -40201 9.5249 5.8153 -0.34823 5.1765e+05 2023-02-20 04:20:00,458 INFO [main.py:643]
{rank 0/100} MD step = 302300 step time: 00:00:00.018385 Performance: 503.591 ns/day 0.048 hours/ns 29.143 steps/s 2023-02-20 04:20:01,675 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 302300 60460 59.995 -33668 6575.5 -40244 -40244 9.526 5.8181 -0.34979 5.1783e+05 2023-02-20 04:20:03,572 INFO [main.py:643]
{rank 0/100} MD step = 302400 step time: 00:00:00.018076 Performance: 503.607 ns/day 0.048 hours/ns 29.144 steps/s 2023-02-20 04:20:05,194 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 59.025 -33612 6469.2 -40081 -40081 9.5261 5.8191 -0.35118 5.1801e+05 2023-02-20 04:20:07,040 INFO [main.py:643]
{rank 0/100} MD step = 302500 step time: 00:00:00.018090 Performance: 503.605 ns/day 0.048 hours/ns 29.144 steps/s 2023-02-20 04:20:08,305 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 59.783 -33517 6552.3 -40069 -40069 9.5273 5.8202 -0.35009 5.1817e+05 2023-02-20 04:20:10,212 INFO [main.py:643]
{rank 0/100} MD step = 302600 step time: 00:00:00.017932 Performance: 503.617 ns/day 0.048 hours/ns 29.145 steps/s 2023-02-20 04:20:11,501 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 60.558 -33585 6637.2 -40222 -40222 9.5266 5.8207 -0.34967 5.1834e+05 2023-02-20 04:20:13,394 INFO [main.py:643]
{rank 0/100} MD step = 302700 step time: 00:00:00.017972 Performance: 503.630 ns/day 0.048 hours/ns 29.145 steps/s 2023-02-20 04:20:14,657 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 302700 60540 60.33 -33445 6612.2 -40057 -40057 9.5283 5.8218 -0.3497 5.1851e+05 2023-02-20 04:20:16,746 INFO [main.py:643]
{rank 0/100} MD step = 302800 step time: 00:00:00.018103 Performance: 503.633 ns/day 0.048 hours/ns 29.145 steps/s 2023-02-20 04:20:18,174 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 61.795 -33396 6772.9 -40169 -40169 9.5303 5.8246 -0.34766 5.1868e+05 2023-02-20 04:20:20,087 INFO [main.py:643]
{rank 0/100} MD step = 302900 step time: 00:00:00.018250 Performance: 503.638 ns/day 0.048 hours/ns 29.146 steps/s 2023-02-20 04:20:21,801 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 60.411 -33557 6621.1 -40178 -40178 9.5322 5.8251 -0.3464 5.1885e+05 2023-02-20 04:20:23,798 INFO [main.py:643]
{rank 0/100} MD step = 303000 step time: 00:00:00.018343 Performance: 503.624 ns/day 0.048 hours/ns 29.145 steps/s 2023-02-20 04:20:25,434 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 60.365 -33562 6616.1 -40178 -40178 9.5339 5.8263 -0.34634 5.19e+05 2023-02-20 04:20:27,415 INFO [main.py:643]
{rank 0/100} MD step = 303100 step time: 00:00:00.018274 Performance: 503.615 ns/day 0.048 hours/ns 29.144 steps/s 2023-02-20 04:20:28,713 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 60.809 -33528 6664.7 -40193 -40193 9.5353 5.8287 -0.3467 5.1921e+05 2023-02-20 04:20:30,598 INFO [main.py:643]
{rank 0/100} MD step = 303200 step time: 00:00:00.017969 Performance: 503.627 ns/day 0.048 hours/ns 29.145 steps/s 2023-02-20 04:20:31,788 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 303200 60640 60.512 -33390 6632.2 -40023 -40023 9.5369 5.8307 -0.34686 5.1942e+05 2023-02-20 04:20:33,746 INFO [main.py:643]
{rank 0/100} MD step = 303300 step time: 00:00:00.018371 Performance: 503.641 ns/day 0.048 hours/ns 29.146 steps/s 2023-02-20 04:20:34,964 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 303300 60660 59.819 -33470 6556.3 -40026 -40026 9.5383 5.8321 -0.3473 5.196e+05 2023-02-20 04:20:36,928 INFO [main.py:643]
{rank 0/100} MD step = 303400 step time: 00:00:00.018187 Performance: 503.653 ns/day 0.048 hours/ns 29.147 steps/s 2023-02-20 04:20:38,107 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 60.575 -33550 6639.1 -40189 -40189 9.5384 5.8348 -0.34657 5.1974e+05 2023-02-20 04:20:40,047 INFO [main.py:643]
{rank 0/100} MD step = 303500 step time: 00:00:00.018190 Performance: 503.668 ns/day 0.048 hours/ns 29.147 steps/s 2023-02-20 04:20:41,233 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 59.538 -33548 6525.4 -40073 -40073 9.5391 5.837 -0.34616 5.1994e+05 2023-02-20 04:20:43,181 INFO [main.py:643]
{rank 0/100} MD step = 303600 step time: 00:00:00.018166 Performance: 503.682 ns/day 0.048 hours/ns 29.148 steps/s 2023-02-20 04:20:44,461 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 303600 60720 59.217 -33553 6490.3 -40044 -40044 9.5417 5.8394 -0.34781 5.2011e+05 2023-02-20 04:20:46,451 INFO [main.py:643]
{rank 0/100} MD step = 303700 step time: 00:00:00.018115 Performance: 503.690 ns/day 0.048 hours/ns 29.149 steps/s 2023-02-20 04:20:47,727 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 59.665 -33613 6539.3 -40152 -40152 9.5438 5.8432 -0.34853 5.2026e+05 2023-02-20 04:20:49,580 INFO [main.py:643]
{rank 0/100} MD step = 303800 step time: 00:00:00.017965 Performance: 503.705 ns/day 0.048 hours/ns 29.150 steps/s 2023-02-20 04:20:50,835 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 303800 60760 59.065 -33654 6473.6 -40127 -40127 9.543 5.8457 -0.34916 5.2042e+05 2023-02-20 04:20:52,730 INFO [main.py:643]
{rank 0/100} MD step = 303900 step time: 00:00:00.018152 Performance: 503.718 ns/day 0.048 hours/ns 29.150 steps/s 2023-02-20 04:20:53,942 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 59.978 -33450 6573.6 -40023 -40023 9.5438 5.8463 -0.34899 5.2062e+05 2023-02-20 04:20:55,845 INFO [main.py:643]
{rank 0/100} MD step = 304000 step time: 00:00:00.018132 Performance: 503.733 ns/day 0.048 hours/ns 29.151 steps/s 2023-02-20 04:20:57,114 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 59.89 -33615 6564 -40179 -40179 9.5464 5.8481 -0.34806 5.2072e+05 2023-02-20 04:20:58,928 INFO [main.py:643]
{rank 0/100} MD step = 304100 step time: 00:00:00.017838 Performance: 503.750 ns/day 0.048 hours/ns 29.152 steps/s 2023-02-20 04:21:00,160 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 60.965 -33313 6681.9 -39995 -39995 9.5503 5.8491 -0.34728 5.2094e+05 2023-02-20 04:21:02,078 INFO [main.py:643]
{rank 0/100} MD step = 304200 step time: 00:00:00.017927 Performance: 503.764 ns/day 0.048 hours/ns 29.153 steps/s 2023-02-20 04:21:03,298 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 59.096 -33679 6477 -40156 -40156 9.5501 5.8509 -0.34657 5.2106e+05 2023-02-20 04:21:05,235 INFO [main.py:643]
{rank 0/100} MD step = 304300 step time: 00:00:00.018050 Performance: 503.777 ns/day 0.048 hours/ns 29.154 steps/s 2023-02-20 04:21:06,524 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 59.951 -33613 6570.7 -40184 -40184 9.5493 5.8532 -0.34638 5.2124e+05 2023-02-20 04:21:08,423 INFO [main.py:643]
{rank 0/100} MD step = 304400 step time: 00:00:00.018031 Performance: 503.789 ns/day 0.048 hours/ns 29.154 steps/s 2023-02-20 04:21:09,710 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 60.846 -33448 6668.8 -40117 -40117 9.5498 5.8564 -0.34642 5.2142e+05 2023-02-20 04:21:11,545 INFO [main.py:643]
{rank 0/100} MD step = 304500 step time: 00:00:00.017900 Performance: 503.803 ns/day 0.048 hours/ns 29.155 steps/s 2023-02-20 04:21:12,842 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 60.134 -33552 6590.8 -40142 -40142 9.5507 5.8587 -0.34565 5.2158e+05 2023-02-20 04:21:15,186 INFO [main.py:643]
{rank 0/100} MD step = 304600 step time: 00:00:00.018159 Performance: 503.793 ns/day 0.048 hours/ns 29.155 steps/s 2023-02-20 04:21:16,373 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 59.528 -33637 6524.3 -40162 -40162 9.5516 5.8628 -0.34628 5.2175e+05 2023-02-20 04:21:18,434 INFO [main.py:643]
{rank 0/100} MD step = 304700 step time: 00:00:00.018127 Performance: 503.802 ns/day 0.048 hours/ns 29.155 steps/s 2023-02-20 04:21:19,925 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 61.026 -33525 6688.5 -40213 -40213 9.5523 5.8653 -0.34627 5.2193e+05 2023-02-20 04:21:21,746 INFO [main.py:643]
{rank 0/100} MD step = 304800 step time: 00:00:00.018533 Performance: 503.808 ns/day 0.048 hours/ns 29.156 steps/s 2023-02-20 04:21:23,015 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 59.987 -33536 6574.7 -40111 -40111 9.5549 5.8677 -0.34684 5.2208e+05 2023-02-20 04:21:24,908 INFO [main.py:643]
{rank 0/100} MD step = 304900 step time: 00:00:00.018049 Performance: 503.821 ns/day 0.048 hours/ns 29.156 steps/s 2023-02-20 04:21:26,061 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 60.011 -33535 6577.3 -40113 -40113 9.5543 5.8698 -0.34697 5.2225e+05 2023-02-20 04:21:28,056 INFO [main.py:643]
{rank 0/100} MD step = 305000 step time: 00:00:00.017963 Performance: 503.834 ns/day 0.048 hours/ns 29.157 steps/s 2023-02-20 04:21:29,222 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 59.465 -33509 6517.4 -40026 -40026 9.5555 5.8726 -0.34606 5.2244e+05 2023-02-20 04:21:31,178 INFO [main.py:643]
{rank 0/100} MD step = 305100 step time: 00:00:00.018335 Performance: 503.849 ns/day 0.048 hours/ns 29.158 steps/s 2023-02-20 04:21:32,433 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 59.883 -33686 6563.2 -40250 -40250 9.5547 5.8738 -0.34581 5.2259e+05 2023-02-20 04:21:34,289 INFO [main.py:643]
{rank 0/100} MD step = 305200 step time: 00:00:00.018199 Performance: 503.864 ns/day 0.048 hours/ns 29.159 steps/s 2023-02-20 04:21:35,538 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 60.149 -33518 6592.4 -40110 -40110 9.5554 5.8747 -0.3466 5.2277e+05 2023-02-20 04:21:37,405 INFO [main.py:643]
{rank 0/100} MD step = 305300 step time: 00:00:00.018150 Performance: 503.880 ns/day 0.048 hours/ns 29.160 steps/s 2023-02-20 04:21:38,684 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 60.392 -33440 6619.1 -40059 -40059 9.5562 5.8761 -0.34749 5.2296e+05 2023-02-20 04:21:40,518 INFO [main.py:643]
{rank 0/100} MD step = 305400 step time: 00:00:00.017981 Performance: 503.895 ns/day 0.048 hours/ns 29.161 steps/s 2023-02-20 04:21:41,807 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 59.757 -33459 6549.5 -40009 -40009 9.5556 5.8772 -0.34675 5.2312e+05 2023-02-20 04:21:43,722 INFO [main.py:643]
{rank 0/100} MD step = 305500 step time: 00:00:00.018186 Performance: 503.906 ns/day 0.048 hours/ns 29.161 steps/s 2023-02-20 04:21:44,884 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 59.695 -33663 6542.7 -40205 -40205 9.5557 5.879 -0.34549 5.2327e+05 2023-02-20 04:21:46,864 INFO [main.py:643]
{rank 0/100} MD step = 305600 step time: 00:00:00.018035 Performance: 503.919 ns/day 0.048 hours/ns 29.162 steps/s 2023-02-20 04:21:48,046 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 60.353 -33506 6614.8 -40121 -40121 9.5561 5.8801 -0.34491 5.2343e+05 2023-02-20 04:21:49,943 INFO [main.py:643]
{rank 0/100} MD step = 305700 step time: 00:00:00.018448 Performance: 503.936 ns/day 0.048 hours/ns 29.163 steps/s 2023-02-20 04:21:51,413 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 59.76 -33613 6549.8 -40163 -40163 9.5571 5.8822 -0.34411 5.236e+05 2023-02-20 04:21:53,383 INFO [main.py:643]
{rank 0/100} MD step = 305800 step time: 00:00:00.019989 Performance: 503.936 ns/day 0.048 hours/ns 29.163 steps/s 2023-02-20 04:21:54,572 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 59.678 -33562 6540.7 -40103 -40103 9.5583 5.8837 -0.34319 5.2378e+05 2023-02-20 04:21:56,516 INFO [main.py:643]
{rank 0/100} MD step = 305900 step time: 00:00:00.018291 Performance: 503.950 ns/day 0.048 hours/ns 29.164 steps/s 2023-02-20 04:21:57,673 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 305900 61180 60.241 -33470 6602.4 -40072 -40072 9.5589 5.8848 -0.34271 5.2395e+05 2023-02-20 04:21:59,626 INFO [main.py:643]
{rank 0/100} MD step = 306000 step time: 00:00:00.018590 Performance: 503.965 ns/day 0.048 hours/ns 29.165 steps/s 2023-02-20 04:22:00,936 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 59.734 -33570 6546.9 -40117 -40117 9.5577 5.8863 -0.34356 5.2409e+05 2023-02-20 04:22:02,780 INFO [main.py:643]
{rank 0/100} MD step = 306100 step time: 00:00:00.018305 Performance: 503.978 ns/day 0.048 hours/ns 29.165 steps/s 2023-02-20 04:22:04,056 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 59.567 -33619 6528.6 -40147 -40147 9.5562 5.889 -0.34248 5.2428e+05 2023-02-20 04:22:05,941 INFO [main.py:643]
{rank 0/100} MD step = 306200 step time: 00:00:00.018083 Performance: 503.991 ns/day 0.048 hours/ns 29.166 steps/s 2023-02-20 04:22:07,177 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 60 -33483 6576.1 -40059 -40059 9.5597 5.8901 -0.34158 5.2447e+05 2023-02-20 04:22:09,080 INFO [main.py:643]
{rank 0/100} MD step = 306300 step time: 00:00:00.018027 Performance: 504.005 ns/day 0.048 hours/ns 29.167 steps/s 2023-02-20 04:22:10,375 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 60.192 -33468 6597.1 -40065 -40065 9.5618 5.8912 -0.34172 5.2464e+05 2023-02-20 04:22:12,183 INFO [main.py:643]
{rank 0/100} MD step = 306400 step time: 00:00:00.017915 Performance: 504.021 ns/day 0.048 hours/ns 29.168 steps/s 2023-02-20 04:22:13,526 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 60.183 -33513 6596.2 -40110 -40110 9.5621 5.8955 -0.34307 5.248e+05 2023-02-20 04:22:15,442 INFO [main.py:643]
{rank 0/100} MD step = 306500 step time: 00:00:00.018460 Performance: 504.029 ns/day 0.048 hours/ns 29.168 steps/s 2023-02-20 04:22:16,755 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 60.054 -33501 6582 -40083 -40083 9.5609 5.8956 -0.34444 5.2498e+05 2023-02-20 04:22:18,586 INFO [main.py:643]
{rank 0/100} MD step = 306600 step time: 00:00:00.018186 Performance: 504.043 ns/day 0.048 hours/ns 29.169 steps/s 2023-02-20 04:22:20,018 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 59.627 -33672 6535.2 -40208 -40208 9.5598 5.8971 -0.34391 5.252e+05 2023-02-20 04:22:21,859 INFO [main.py:643]
{rank 0/100} MD step = 306700 step time: 00:00:00.018531 Performance: 504.050 ns/day 0.048 hours/ns 29.170 steps/s 2023-02-20 04:22:23,139 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 306700 61340 60.493 -33516 6630.1 -40147 -40147 9.559 5.8982 -0.34493 5.2538e+05 2023-02-20 04:22:24,981 INFO [main.py:643]
{rank 0/100} MD step = 306800 step time: 00:00:00.017989 Performance: 504.065 ns/day 0.048 hours/ns 29.170 steps/s 2023-02-20 04:22:26,190 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 60.145 -33491 6592 -40083 -40083 9.5614 5.8988 -0.34384 5.2554e+05 2023-02-20 04:22:28,138 INFO [main.py:643]
{rank 0/100} MD step = 306900 step time: 00:00:00.018117 Performance: 504.078 ns/day 0.048 hours/ns 29.171 steps/s 2023-02-20 04:22:29,398 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 60.783 -33428 6661.8 -40090 -40090 9.5624 5.8998 -0.34465 5.2572e+05 2023-02-20 04:22:31,281 INFO [main.py:643]
{rank 0/100} MD step = 307000 step time: 00:00:00.018239 Performance: 504.091 ns/day 0.048 hours/ns 29.172 steps/s 2023-02-20 04:22:32,611 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 60.619 -33517 6643.9 -40161 -40161 9.564 5.9004 -0.34491 5.2589e+05 2023-02-20 04:22:34,422 INFO [main.py:643]
{rank 0/100} MD step = 307100 step time: 00:00:00.020754 Performance: 504.105 ns/day 0.048 hours/ns 29.173 steps/s 2023-02-20 04:22:35,695 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 59.513 -33646 6522.8 -40169 -40169 9.5643 5.903 -0.3442 5.2607e+05 2023-02-20 04:22:37,636 INFO [main.py:643]
{rank 0/100} MD step = 307200 step time: 00:00:00.018053 Performance: 504.115 ns/day 0.048 hours/ns 29.173 steps/s 2023-02-20 04:22:39,035 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 307200 61440 60.351 -33508 6614.6 -40123 -40123 9.5634 5.9053 -0.34535 5.2623e+05 2023-02-20 04:22:40,906 INFO [main.py:643]
{rank 0/100} MD step = 307300 step time: 00:00:00.018011 Performance: 504.123 ns/day 0.048 hours/ns 29.174 steps/s 2023-02-20 04:22:42,239 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 59.179 -33663 6486.1 -40149 -40149 9.5657 5.9077 -0.34411 5.2637e+05 2023-02-20 04:22:44,098 INFO [main.py:643]
{rank 0/100} MD step = 307400 step time: 00:00:00.018119 Performance: 504.134 ns/day 0.048 hours/ns 29.174 steps/s 2023-02-20 04:22:45,545 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 307400 61480 59.301 -33462 6499.4 -39961 -39961 9.567 5.9083 -0.34571 5.2655e+05 2023-02-20 04:22:47,409 INFO [main.py:643]
{rank 0/100} MD step = 307500 step time: 00:00:00.018102 Performance: 504.140 ns/day 0.048 hours/ns 29.175 steps/s 2023-02-20 04:22:48,264 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 307500 61500 60.427 -33558 6622.9 -40181 -40181 9.5688 5.9089 -0.34619 5.2672e+05 2023-02-20 04:22:51,039 INFO [main.py:643]
{rank 0/100} MD step = 307600 step time: 00:00:00.017948 Performance: 504.130 ns/day 0.048 hours/ns 29.174 steps/s 2023-02-20 04:22:52,917 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 60.274 -33544 6606.1 -40150 -40150 9.5705 5.9105 -0.34882 5.2688e+05 2023-02-20 04:22:54,868 INFO [main.py:643]
{rank 0/100} MD step = 307700 step time: 00:00:00.018234 Performance: 504.111 ns/day 0.048 hours/ns 29.173 steps/s 2023-02-20 04:22:56,167 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 59.327 -33634 6502.3 -40136 -40136 9.5717 5.9117 -0.34867 5.2702e+05 2023-02-20 04:22:58,108 INFO [main.py:643]
{rank 0/100} MD step = 307800 step time: 00:00:00.018665 Performance: 504.120 ns/day 0.048 hours/ns 29.174 steps/s 2023-02-20 04:22:59,470 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 60.432 -33540 6623.5 -40164 -40164 9.5706 5.9137 -0.34935 5.2722e+05 2023-02-20 04:23:01,359 INFO [main.py:643]
{rank 0/100} MD step = 307900 step time: 00:00:00.018133 Performance: 504.128 ns/day 0.048 hours/ns 29.174 steps/s 2023-02-20 04:23:02,615 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 60.345 -33510 6613.9 -40124 -40124 9.5693 5.9148 -0.35002 5.274e+05 2023-02-20 04:23:04,460 INFO [main.py:643]
{rank 0/100} MD step = 308000 step time: 00:00:00.018287 Performance: 504.144 ns/day 0.048 hours/ns 29.175 steps/s 2023-02-20 04:23:05,687 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 60.53 -33508 6634.1 -40143 -40143 9.5674 5.9169 -0.35008 5.2754e+05 2023-02-20 04:23:07,670 INFO [main.py:643]
{rank 0/100} MD step = 308100 step time: 00:00:00.018220 Performance: 504.154 ns/day 0.048 hours/ns 29.176 steps/s 2023-02-20 04:23:08,907 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 60.504 -33477 6631.3 -40108 -40108 9.5696 5.9185 -0.35149 5.2773e+05 2023-02-20 04:23:10,783 INFO [main.py:643]
{rank 0/100} MD step = 308200 step time: 00:00:00.017983 Performance: 504.169 ns/day 0.048 hours/ns 29.176 steps/s 2023-02-20 04:23:12,078 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 60.728 -33502 6655.9 -40158 -40158 9.5705 5.9202 -0.35124 5.2787e+05 2023-02-20 04:23:13,917 INFO [main.py:643]
{rank 0/100} MD step = 308300 step time: 00:00:00.017921 Performance: 504.183 ns/day 0.048 hours/ns 29.177 steps/s 2023-02-20 04:23:15,168 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 59.295 -33611 6498.8 -40110 -40110 9.5706 5.9206 -0.35033 5.2806e+05 2023-02-20 04:23:17,054 INFO [main.py:643]
{rank 0/100} MD step = 308400 step time: 00:00:00.018415 Performance: 504.197 ns/day 0.048 hours/ns 29.178 steps/s 2023-02-20 04:23:18,316 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 60.415 -33507 6621.5 -40129 -40129 9.5704 5.9231 -0.34971 5.2822e+05 2023-02-20 04:23:20,143 INFO [main.py:643]
{rank 0/100} MD step = 308500 step time: 00:00:00.018161 Performance: 504.213 ns/day 0.048 hours/ns 29.179 steps/s 2023-02-20 04:23:21,548 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 60.104 -33549 6587.5 -40137 -40137 9.5692 5.9246 -0.35006 5.2835e+05 2023-02-20 04:23:23,427 INFO [main.py:643]
{rank 0/100} MD step = 308600 step time: 00:00:00.018342 Performance: 504.220 ns/day 0.048 hours/ns 29.179 steps/s 2023-02-20 04:23:24,681 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 59.543 -33521 6526 -40047 -40047 9.5699 5.9259 -0.34943 5.2851e+05 2023-02-20 04:23:26,567 INFO [main.py:643]
{rank 0/100} MD step = 308700 step time: 00:00:00.018207 Performance: 504.234 ns/day 0.048 hours/ns 29.180 steps/s 2023-02-20 04:23:27,336 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 308700 61740 60.35 -33548 6614.5 -40163 -40163 9.5689 5.9264 -0.34893 5.2869e+05 2023-02-20 04:23:29,683 INFO [main.py:643]
{rank 0/100} MD step = 308800 step time: 00:00:00.018103 Performance: 504.249 ns/day 0.048 hours/ns 29.181 steps/s 2023-02-20 04:23:30,927 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 60.577 -33576 6639.3 -40216 -40216 9.5688 5.9272 -0.34962 5.2884e+05 2023-02-20 04:23:32,854 INFO [main.py:643]
{rank 0/100} MD step = 308900 step time: 00:00:00.018091 Performance: 504.261 ns/day 0.048 hours/ns 29.182 steps/s 2023-02-20 04:23:34,195 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 308900 61780 60.389 -33456 6618.7 -40075 -40075 9.5669 5.929 -0.34966 5.2905e+05 2023-02-20 04:23:36,054 INFO [main.py:643]
{rank 0/100} MD step = 309000 step time: 00:00:00.018840 Performance: 504.272 ns/day 0.048 hours/ns 29.182 steps/s 2023-02-20 04:23:37,381 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 60.271 -33540 6605.8 -40146 -40146 9.5662 5.9307 -0.35008 5.2923e+05 2023-02-20 04:23:39,259 INFO [main.py:643]
{rank 0/100} MD step = 309100 step time: 00:00:00.017908 Performance: 504.282 ns/day 0.048 hours/ns 29.183 steps/s 2023-02-20 04:23:40,338 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 59.661 -33567 6539 -40106 -40106 9.5647 5.933 -0.35039 5.294e+05 2023-02-20 04:23:42,400 INFO [main.py:643]
{rank 0/100} MD step = 309200 step time: 00:00:00.021750 Performance: 504.296 ns/day 0.048 hours/ns 29.184 steps/s 2023-02-20 04:23:44,039 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 60.177 -33483 6595.4 -40079 -40079 9.564 5.9358 -0.34827 5.2959e+05 2023-02-20 04:23:45,968 INFO [main.py:643]
{rank 0/100} MD step = 309300 step time: 00:00:00.018018 Performance: 504.289 ns/day 0.048 hours/ns 29.183 steps/s 2023-02-20 04:23:47,259 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 60.66 -33511 6648.4 -40159 -40159 9.5628 5.9379 -0.34847 5.2973e+05 2023-02-20 04:23:49,167 INFO [main.py:643]
{rank 0/100} MD step = 309400 step time: 00:00:00.018290 Performance: 504.300 ns/day 0.048 hours/ns 29.184 steps/s 2023-02-20 04:23:50,618 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 60.087 -33452 6585.6 -40037 -40037 9.561 5.9407 -0.34867 5.2993e+05 2023-02-20 04:23:52,433 INFO [main.py:643]
{rank 0/100} MD step = 309500 step time: 00:00:00.018069 Performance: 504.307 ns/day 0.048 hours/ns 29.184 steps/s 2023-02-20 04:23:54,443 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 59.705 -33635 6543.8 -40178 -40178 9.5623 5.9433 -0.34845 5.3005e+05 2023-02-20 04:23:56,293 INFO [main.py:643]
{rank 0/100} MD step = 309600 step time: 00:00:00.018347 Performance: 504.287 ns/day 0.048 hours/ns 29.183 steps/s 2023-02-20 04:23:57,654 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 60.39 -33535 6618.8 -40153 -40153 9.5614 5.9444 -0.34699 5.3023e+05 2023-02-20 04:23:59,564 INFO [main.py:643]
{rank 0/100} MD step = 309700 step time: 00:00:00.018234 Performance: 504.294 ns/day 0.048 hours/ns 29.184 steps/s 2023-02-20 04:24:00,913 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 309700 61940 59.646 -33592 6537.3 -40130 -40130 9.5612 5.9452 -0.34783 5.3038e+05 2023-02-20 04:24:02,746 INFO [main.py:643]
{rank 0/100} MD step = 309800 step time: 00:00:00.018059 Performance: 504.306 ns/day 0.048 hours/ns 29.184 steps/s 2023-02-20 04:24:04,043 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 59.618 -33724 6534.2 -40258 -40258 9.5599 5.9469 -0.34867 5.3059e+05 2023-02-20 04:24:05,972 INFO [main.py:643]
{rank 0/100} MD step = 309900 step time: 00:00:00.018209 Performance: 504.315 ns/day 0.048 hours/ns 29.185 steps/s 2023-02-20 04:24:07,221 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 309900 61980 60.936 -33444 6678.7 -40122 -40122 9.5595 5.9488 -0.34785 5.3074e+05 2023-02-20 04:24:09,084 INFO [main.py:643]
{rank 0/100} MD step = 310000 step time: 00:00:00.017882 Performance: 504.330 ns/day 0.048 hours/ns 29.186 steps/s 2023-02-20 04:24:10,337 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 60.637 -33459 6645.9 -40105 -40105 9.5598 5.9482 -0.34789 5.3089e+05 2023-02-20 04:24:12,224 INFO [main.py:643]
{rank 0/100} MD step = 310100 step time: 00:00:00.018173 Performance: 504.344 ns/day 0.048 hours/ns 29.187 steps/s 2023-02-20 04:24:13,553 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 58.454 -33581 6406.6 -39987 -39987 9.5606 5.9509 -0.34745 5.3108e+05 2023-02-20 04:24:15,448 INFO [main.py:643]
{rank 0/100} MD step = 310200 step time: 00:00:00.018049 Performance: 504.353 ns/day 0.048 hours/ns 29.187 steps/s 2023-02-20 04:24:16,775 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 59.047 -33705 6471.6 -40177 -40177 9.56 5.955 -0.34822 5.3125e+05 2023-02-20 04:24:18,614 INFO [main.py:643]
{rank 0/100} MD step = 310300 step time: 00:00:00.018203 Performance: 504.366 ns/day 0.048 hours/ns 29.188 steps/s 2023-02-20 04:24:20,015 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 60.078 -33582 6584.6 -40167 -40167 9.5609 5.9578 -0.34829 5.3143e+05 2023-02-20 04:24:21,842 INFO [main.py:643]
{rank 0/100} MD step = 310400 step time: 00:00:00.018033 Performance: 504.375 ns/day 0.048 hours/ns 29.188 steps/s 2023-02-20 04:24:23,136 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 60.614 -33413 6643.3 -40056 -40056 9.5587 5.96 -0.3484 5.3161e+05 2023-02-20 04:24:25,024 INFO [main.py:643]
{rank 0/100} MD step = 310500 step time: 00:00:00.018057 Performance: 504.387 ns/day 0.048 hours/ns 29.189 steps/s 2023-02-20 04:24:28,408 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 310500 62100 58.835 -33597 6448.4 -40046 -40046 9.5571 5.9589 -0.34855 5.3179e+05 2023-02-20 04:24:30,350 INFO [main.py:643]
{rank 0/100} MD step = 310600 step time: 00:00:00.018244 Performance: 504.297 ns/day 0.048 hours/ns 29.184 steps/s 2023-02-20 04:24:36,321 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 59.991 -33515 6575 -40090 -40090 9.5554 5.9604 -0.34947 5.32e+05 2023-02-20 04:24:38,250 INFO [main.py:643]
{rank 0/100} MD step = 310700 step time: 00:00:00.018163 Performance: 504.085 ns/day 0.048 hours/ns 29.172 steps/s 2023-02-20 04:24:42,316 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 59.582 -33609 6530.2 -40139 -40139 9.5574 5.9613 -0.34946 5.3215e+05 2023-02-20 04:24:44,183 INFO [main.py:643]
{rank 0/100} MD step = 310800 step time: 00:00:00.018135 Performance: 503.966 ns/day 0.048 hours/ns 29.165 steps/s 2023-02-20 04:24:45,452 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 60.393 -33531 6619.2 -40150 -40150 9.5587 5.9617 -0.35126 5.3234e+05 2023-02-20 04:24:47,336 INFO [main.py:643]
{rank 0/100} MD step = 310900 step time: 00:00:00.018062 Performance: 503.979 ns/day 0.048 hours/ns 29.165 steps/s 2023-02-20 04:24:48,597 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 59.416 -33502 6512.1 -40014 -40014 9.5597 5.9636 -0.35202 5.3254e+05 2023-02-20 04:24:50,442 INFO [main.py:643]
{rank 0/100} MD step = 311000 step time: 00:00:00.018786 Performance: 503.995 ns/day 0.048 hours/ns 29.166 steps/s 2023-02-20 04:24:51,816 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 60.421 -33456 6622.3 -40078 -40078 9.56 5.9648 -0.35225 5.3271e+05 2023-02-20 04:24:53,675 INFO [main.py:643]
{rank 0/100} MD step = 311100 step time: 00:00:00.018428 Performance: 504.004 ns/day 0.048 hours/ns 29.167 steps/s 2023-02-20 04:24:55,003 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 59.791 -33663 6553.1 -40216 -40216 9.5612 5.9637 -0.35398 5.3286e+05 2023-02-20 04:24:56,971 INFO [main.py:643]
{rank 0/100} MD step = 311200 step time: 00:00:00.018157 Performance: 504.010 ns/day 0.048 hours/ns 29.167 steps/s 2023-02-20 04:25:03,200 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 60.456 -33465 6626.1 -40091 -40091 9.5608 5.9652 -0.35429 5.3302e+05 2023-02-20 04:25:05,053 INFO [main.py:643]
{rank 0/100} MD step = 311300 step time: 00:00:00.018137 Performance: 503.791 ns/day 0.048 hours/ns 29.155 steps/s 2023-02-20 04:25:06,290 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 60.815 -33565 6665.4 -40230 -40230 9.5625 5.9663 -0.35297 5.3317e+05 2023-02-20 04:25:08,235 INFO [main.py:643]
{rank 0/100} MD step = 311400 step time: 00:00:00.018995 Performance: 503.802 ns/day 0.048 hours/ns 29.155 steps/s 2023-02-20 04:25:09,592 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 59.703 -33534 6543.5 -40077 -40077 9.5619 5.9675 -0.35145 5.3338e+05 2023-02-20 04:25:11,551 INFO [main.py:643]
{rank 0/100} MD step = 311500 step time: 00:00:00.018287 Performance: 503.808 ns/day 0.048 hours/ns 29.156 steps/s 2023-02-20 04:25:14,049 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 61.293 -33419 6717.8 -40137 -40137 9.5632 5.9714 -0.35152 5.3355e+05 2023-02-20 04:25:16,209 INFO [main.py:643]
{rank 0/100} MD step = 311600 step time: 00:00:00.018559 Performance: 503.750 ns/day 0.048 hours/ns 29.152 steps/s 2023-02-20 04:25:17,696 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 60.881 -33417 6672.7 -40090 -40090 9.5651 5.9715 -0.35144 5.3372e+05 2023-02-20 04:25:19,768 INFO [main.py:643]
{rank 0/100} MD step = 311700 step time: 00:00:00.018542 Performance: 503.744 ns/day 0.048 hours/ns 29.152 steps/s 2023-02-20 04:25:21,222 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 59.807 -33524 6554.9 -40079 -40079 9.5665 5.9725 -0.35135 5.3389e+05 2023-02-20 04:25:23,080 INFO [main.py:643]
{rank 0/100} MD step = 311800 step time: 00:00:00.018058 Performance: 503.749 ns/day 0.048 hours/ns 29.152 steps/s 2023-02-20 04:25:24,546 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 60.891 -33539 6673.7 -40212 -40212 9.5674 5.9736 -0.35099 5.3401e+05 2023-02-20 04:25:26,368 INFO [main.py:643]
{rank 0/100} MD step = 311900 step time: 00:00:00.018152 Performance: 503.756 ns/day 0.048 hours/ns 29.153 steps/s 2023-02-20 04:25:27,576 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 311900 62380 59.257 -33556 6494.7 -40050 -40050 9.5671 5.9739 -0.35037 5.3423e+05 2023-02-20 04:25:29,490 INFO [main.py:643]
{rank 0/100} MD step = 312000 step time: 00:00:00.018081 Performance: 503.770 ns/day 0.048 hours/ns 29.153 steps/s 2023-02-20 04:25:31,183 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 60.114 -33644 6588.5 -40233 -40233 9.567 5.9757 -0.35178 5.3437e+05 2023-02-20 04:25:33,109 INFO [main.py:643]
{rank 0/100} MD step = 312100 step time: 00:00:00.018294 Performance: 503.762 ns/day 0.048 hours/ns 29.153 steps/s 2023-02-20 04:25:34,432 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 312100 62420 59.925 -33498 6567.9 -40066 -40066 9.5676 5.9784 -0.35152 5.3457e+05 2023-02-20 04:25:36,285 INFO [main.py:643]
{rank 0/100} MD step = 312200 step time: 00:00:00.018138 Performance: 503.774 ns/day 0.048 hours/ns 29.154 steps/s 2023-02-20 04:25:37,676 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 59.877 -33527 6562.6 -40090 -40090 9.5665 5.9788 -0.35265 5.3477e+05 2023-02-20 04:25:39,586 INFO [main.py:643]
{rank 0/100} MD step = 312300 step time: 00:00:00.018095 Performance: 503.780 ns/day 0.048 hours/ns 29.154 steps/s 2023-02-20 04:25:40,943 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 60.741 -33580 6657.2 -40237 -40237 9.5667 5.9801 -0.35078 5.3495e+05 2023-02-20 04:25:42,785 INFO [main.py:643]
{rank 0/100} MD step = 312400 step time: 00:00:00.017893 Performance: 503.790 ns/day 0.048 hours/ns 29.155 steps/s 2023-02-20 04:25:44,086 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 312400 62480 59.444 -33533 6515.2 -40048 -40048 9.5673 5.9829 -0.34841 5.3514e+05 2023-02-20 04:25:45,968 INFO [main.py:643]
{rank 0/100} MD step = 312500 step time: 00:00:00.017980 Performance: 503.802 ns/day 0.048 hours/ns 29.155 steps/s 2023-02-20 04:25:47,383 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 59.85 -33614 6559.7 -40174 -40174 9.5683 5.9837 -0.34905 5.353e+05 2023-02-20 04:25:49,219 INFO [main.py:643]
{rank 0/100} MD step = 312600 step time: 00:00:00.018049 Performance: 503.810 ns/day 0.048 hours/ns 29.156 steps/s 2023-02-20 04:25:50,374 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 61.029 -33379 6688.9 -40068 -40068 9.5685 5.984 -0.34847 5.3547e+05 2023-02-20 04:25:52,303 INFO [main.py:643]
{rank 0/100} MD step = 312700 step time: 00:00:00.018781 Performance: 503.827 ns/day 0.048 hours/ns 29.157 steps/s 2023-02-20 04:25:53,661 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 59.183 -33775 6486.5 -40262 -40262 9.5691 5.9846 -0.34862 5.3563e+05 2023-02-20 04:25:55,523 INFO [main.py:643]
{rank 0/100} MD step = 312800 step time: 00:00:00.018023 Performance: 503.837 ns/day 0.048 hours/ns 29.157 steps/s 2023-02-20 04:25:56,744 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 59.661 -33471 6538.9 -40010 -40010 9.571 5.9848 -0.34806 5.3583e+05 2023-02-20 04:25:58,659 INFO [main.py:643]
{rank 0/100} MD step = 312900 step time: 00:00:00.017905 Performance: 503.850 ns/day 0.048 hours/ns 29.158 steps/s 2023-02-20 04:26:00,243 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 60.315 -33488 6610.6 -40098 -40098 9.5726 5.9883 -0.34792 5.3599e+05 2023-02-20 04:26:02,202 INFO [main.py:643]
{rank 0/100} MD step = 313000 step time: 00:00:00.018074 Performance: 503.845 ns/day 0.048 hours/ns 29.158 steps/s 2023-02-20 04:26:03,677 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 59.827 -33609 6557.2 -40166 -40166 9.5735 5.9898 -0.34785 5.3616e+05 2023-02-20 04:26:06,699 INFO [main.py:643]
{rank 0/100} MD step = 313100 step time: 00:00:00.017979 Performance: 503.795 ns/day 0.048 hours/ns 29.155 steps/s 2023-02-20 04:26:07,813 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 59.881 -33579 6563.1 -40142 -40142 9.5722 5.9922 -0.34708 5.3632e+05 2023-02-20 04:26:09,966 INFO [main.py:643]
{rank 0/100} MD step = 313200 step time: 00:00:00.018079 Performance: 503.803 ns/day 0.048 hours/ns 29.155 steps/s 2023-02-20 04:26:11,247 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 60.2 -33539 6598 -40137 -40137 9.5739 5.9931 -0.34758 5.3651e+05 2023-02-20 04:26:13,157 INFO [main.py:643]
{rank 0/100} MD step = 313300 step time: 00:00:00.018497 Performance: 503.814 ns/day 0.048 hours/ns 29.156 steps/s 2023-02-20 04:26:14,391 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 59.798 -33578 6553.9 -40132 -40132 9.5752 5.9933 -0.34751 5.3666e+05 2023-02-20 04:26:16,409 INFO [main.py:643]
{rank 0/100} MD step = 313400 step time: 00:00:00.018078 Performance: 503.822 ns/day 0.048 hours/ns 29.156 steps/s 2023-02-20 04:26:17,582 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 313400 62680 59.323 -33647 6501.8 -40148 -40148 9.5743 5.9929 -0.34631 5.3684e+05 2023-02-20 04:26:19,579 INFO [main.py:643]
{rank 0/100} MD step = 313500 step time: 00:00:00.018298 Performance: 503.834 ns/day 0.048 hours/ns 29.157 steps/s 2023-02-20 04:26:21,841 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 313500 62700 59.612 -33635 6533.6 -40168 -40168 9.5742 5.9949 -0.34642 5.37e+05 2023-02-20 04:26:23,696 INFO [main.py:643]
{rank 0/100} MD step = 313600 step time: 00:00:00.018147 Performance: 503.802 ns/day 0.048 hours/ns 29.155 steps/s 2023-02-20 04:26:24,942 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 60.322 -33509 6611.4 -40120 -40120 9.5749 5.9959 -0.34604 5.3714e+05 2023-02-20 04:26:26,958 INFO [main.py:643]
{rank 0/100} MD step = 313700 step time: 00:00:00.018071 Performance: 503.810 ns/day 0.048 hours/ns 29.156 steps/s 2023-02-20 04:26:28,181 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 61.195 -33294 6707 -40001 -40001 9.5767 5.9975 -0.34601 5.3733e+05 2023-02-20 04:26:30,086 INFO [main.py:643]
{rank 0/100} MD step = 313800 step time: 00:00:00.017954 Performance: 503.824 ns/day 0.048 hours/ns 29.156 steps/s 2023-02-20 04:26:35,737 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 60.312 -33642 6610.3 -40252 -40252 9.5764 5.999 -0.34658 5.3748e+05 2023-02-20 04:26:38,650 INFO [main.py:643]
{rank 0/100} MD step = 313900 step time: 00:00:00.018085 Performance: 503.584 ns/day 0.048 hours/ns 29.143 steps/s 2023-02-20 04:26:39,657 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 60.104 -33563 6587.5 -40150 -40150 9.5783 6.0015 -0.3476 5.377e+05 2023-02-20 04:26:42,133 INFO [main.py:643]
{rank 0/100} MD step = 314000 step time: 00:00:00.017999 Performance: 503.582 ns/day 0.048 hours/ns 29.142 steps/s 2023-02-20 04:26:43,417 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 60.234 -33433 6601.7 -40035 -40035 9.5793 6.0009 -0.34912 5.3788e+05 2023-02-20 04:26:45,343 INFO [main.py:643]
{rank 0/100} MD step = 314100 step time: 00:00:00.017958 Performance: 503.592 ns/day 0.048 hours/ns 29.143 steps/s 2023-02-20 04:26:46,834 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 314100 62820 60.041 -33523 6580.6 -40104 -40104 9.5792 6.0024 -0.35093 5.3802e+05 2023-02-20 04:26:48,738 INFO [main.py:643]
{rank 0/100} MD step = 314200 step time: 00:00:00.018039 Performance: 503.594 ns/day 0.048 hours/ns 29.143 steps/s 2023-02-20 04:26:50,046 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 59.636 -33513 6536.2 -40049 -40049 9.5813 6.0028 -0.35074 5.3818e+05 2023-02-20 04:26:52,001 INFO [main.py:643]
{rank 0/100} MD step = 314300 step time: 00:00:00.018132 Performance: 503.601 ns/day 0.048 hours/ns 29.144 steps/s 2023-02-20 04:26:56,441 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 59.51 -33637 6522.4 -40159 -40159 9.581 6.0043 -0.34952 5.3836e+05 2023-02-20 04:26:58,411 INFO [main.py:643]
{rank 0/100} MD step = 314400 step time: 00:00:00.017994 Performance: 503.462 ns/day 0.048 hours/ns 29.136 steps/s 2023-02-20 04:27:05,632 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 314400 62880 60.409 -33484 6620.9 -40105 -40105 9.5797 6.005 -0.34776 5.3854e+05 2023-02-20 04:27:07,438 INFO [main.py:643]
{rank 0/100} MD step = 314500 step time: 00:00:00.018181 Performance: 503.202 ns/day 0.048 hours/ns 29.120 steps/s 2023-02-20 04:27:08,686 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 59.696 -33556 6542.7 -40098 -40098 9.5825 6.0061 -0.34784 5.3872e+05 2023-02-20 04:27:10,563 INFO [main.py:643]
{rank 0/100} MD step = 314600 step time: 00:00:00.018134 Performance: 503.216 ns/day 0.048 hours/ns 29.121 steps/s 2023-02-20 04:27:11,822 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 314600 62920 60.15 -33450 6592.5 -40043 -40043 9.5828 6.0076 -0.34808 5.3892e+05 2023-02-20 04:27:13,627 INFO [main.py:643]
{rank 0/100} MD step = 314700 step time: 00:00:00.019230 Performance: 503.233 ns/day 0.048 hours/ns 29.122 steps/s 2023-02-20 04:27:14,755 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 60.776 -33358 6661.1 -40020 -40020 9.5824 6.0093 -0.34921 5.3908e+05 2023-02-20 04:27:16,750 INFO [main.py:643]
{rank 0/100} MD step = 314800 step time: 00:00:00.017954 Performance: 503.248 ns/day 0.048 hours/ns 29.123 steps/s 2023-02-20 04:27:17,930 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 314800 62960 59.887 -33579 6563.7 -40143 -40143 9.5824 6.0093 -0.3492 5.3925e+05 2023-02-20 04:27:19,878 INFO [main.py:643]
{rank 0/100} MD step = 314900 step time: 00:00:00.018050 Performance: 503.262 ns/day 0.048 hours/ns 29.124 steps/s 2023-02-20 04:27:21,066 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 60.794 -33497 6663.1 -40160 -40160 9.581 6.011 -0.34772 5.3942e+05 2023-02-20 04:27:22,947 INFO [main.py:643]
{rank 0/100} MD step = 315000 step time: 00:00:00.018153 Performance: 503.279 ns/day 0.048 hours/ns 29.125 steps/s 2023-02-20 04:27:24,322 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 60.071 -33391 6583.9 -39975 -39975 9.5795 6.0136 -0.34682 5.3961e+05 2023-02-20 04:27:26,141 INFO [main.py:643]
{rank 0/100} MD step = 315100 step time: 00:00:00.018032 Performance: 503.290 ns/day 0.048 hours/ns 29.126 steps/s 2023-02-20 04:27:26,959 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 59.177 -33616 6485.8 -40102 -40102 9.5807 6.0159 -0.34846 5.3975e+05 2023-02-20 04:27:29,282 INFO [main.py:643]
{rank 0/100} MD step = 315200 step time: 00:00:00.017969 Performance: 503.304 ns/day 0.048 hours/ns 29.126 steps/s 2023-02-20 04:27:30,603 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 60.752 -33408 6658.5 -40067 -40067 9.5805 6.0185 -0.35026 5.3994e+05 2023-02-20 04:27:32,440 INFO [main.py:643]
{rank 0/100} MD step = 315300 step time: 00:00:00.018174 Performance: 503.316 ns/day 0.048 hours/ns 29.127 steps/s 2023-02-20 04:27:33,683 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 60.44 -33532 6624.3 -40156 -40156 9.5811 6.0199 -0.35042 5.4006e+05 2023-02-20 04:27:35,592 INFO [main.py:643]
{rank 0/100} MD step = 315400 step time: 00:00:00.018171 Performance: 503.330 ns/day 0.048 hours/ns 29.128 steps/s 2023-02-20 04:27:36,773 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 60.746 -33345 6657.8 -40003 -40003 9.5807 6.0231 -0.35151 5.4026e+05 2023-02-20 04:27:38,732 INFO [main.py:643]
{rank 0/100} MD step = 315500 step time: 00:00:00.018191 Performance: 503.343 ns/day 0.048 hours/ns 29.129 steps/s 2023-02-20 04:27:40,218 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 60.146 -33484 6592.1 -40076 -40076 9.5808 6.0253 -0.35291 5.4044e+05 2023-02-20 04:27:42,141 INFO [main.py:643]
{rank 0/100} MD step = 315600 step time: 00:00:00.018321 Performance: 503.344 ns/day 0.048 hours/ns 29.129 steps/s 2023-02-20 04:27:43,574 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 60.513 -33480 6632.3 -40112 -40112 9.5818 6.0268 -0.35432 5.4062e+05 2023-02-20 04:27:45,473 INFO [main.py:643]
{rank 0/100} MD step = 315700 step time: 00:00:00.018419 Performance: 503.349 ns/day 0.048 hours/ns 29.129 steps/s 2023-02-20 04:27:46,738 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 60.072 -33572 6584 -40156 -40156 9.5811 6.0285 -0.35387 5.4074e+05 2023-02-20 04:27:48,632 INFO [main.py:643]
{rank 0/100} MD step = 315800 step time: 00:00:00.017990 Performance: 503.362 ns/day 0.048 hours/ns 29.130 steps/s 2023-02-20 04:27:49,654 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 60.4 -33429 6620 -40049 -40049 9.5834 6.0288 -0.35321 5.4097e+05 2023-02-20 04:27:51,759 INFO [main.py:643]
{rank 0/100} MD step = 315900 step time: 00:00:00.017984 Performance: 503.376 ns/day 0.048 hours/ns 29.131 steps/s 2023-02-20 04:27:53,051 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 59.913 -33680 6566.6 -40246 -40246 9.5839 6.0303 -0.35206 5.4108e+05 2023-02-20 04:27:54,878 INFO [main.py:643]
{rank 0/100} MD step = 316000 step time: 00:00:00.017934 Performance: 503.390 ns/day 0.048 hours/ns 29.131 steps/s 2023-02-20 04:27:56,052 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 59.495 -33524 6520.7 -40045 -40045 9.5852 6.0318 -0.35257 5.413e+05 2023-02-20 04:27:58,017 INFO [main.py:643]
{rank 0/100} MD step = 316100 step time: 00:00:00.017995 Performance: 503.404 ns/day 0.048 hours/ns 29.132 steps/s 2023-02-20 04:27:59,227 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 59.962 -33574 6571.9 -40146 -40146 9.5867 6.0324 -0.34999 5.4146e+05 2023-02-20 04:28:01,135 INFO [main.py:643]
{rank 0/100} MD step = 316200 step time: 00:00:00.018426 Performance: 503.419 ns/day 0.048 hours/ns 29.133 steps/s 2023-02-20 04:28:02,328 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 59.612 -33537 6533.6 -40070 -40070 9.5873 6.0331 -0.35091 5.4165e+05 2023-02-20 04:28:04,244 INFO [main.py:643]
{rank 0/100} MD step = 316300 step time: 00:00:00.017919 Performance: 503.434 ns/day 0.048 hours/ns 29.134 steps/s 2023-02-20 04:28:05,441 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 60.068 -33473 6583.5 -40056 -40056 9.5857 6.0356 -0.35135 5.4184e+05 2023-02-20 04:28:07,352 INFO [main.py:643]
{rank 0/100} MD step = 316400 step time: 00:00:00.017919 Performance: 503.449 ns/day 0.048 hours/ns 29.135 steps/s 2023-02-20 04:28:08,090 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 59.76 -33451 6549.8 -40001 -40001 9.5853 6.0378 -0.35273 5.4199e+05 2023-02-20 04:28:10,408 INFO [main.py:643]
{rank 0/100} MD step = 316500 step time: 00:00:00.017997 Performance: 503.466 ns/day 0.048 hours/ns 29.136 steps/s 2023-02-20 04:28:11,563 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 60.603 -33425 6642.2 -40067 -40067 9.5849 6.0405 -0.35314 5.4217e+05 2023-02-20 04:28:13,588 INFO [main.py:643]
{rank 0/100} MD step = 316600 step time: 00:00:00.017913 Performance: 503.478 ns/day 0.048 hours/ns 29.136 steps/s 2023-02-20 04:28:14,853 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 59.727 -33705 6546.1 -40252 -40252 9.5855 6.0428 -0.35238 5.4232e+05 2023-02-20 04:28:16,694 INFO [main.py:643]
{rank 0/100} MD step = 316700 step time: 00:00:00.019457 Performance: 503.493 ns/day 0.048 hours/ns 29.137 steps/s 2023-02-20 04:28:17,863 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 59.871 -33577 6561.9 -40138 -40138 9.5859 6.045 -0.35316 5.4252e+05 2023-02-20 04:28:19,793 INFO [main.py:643]
{rank 0/100} MD step = 316800 step time: 00:00:00.018572 Performance: 503.508 ns/day 0.048 hours/ns 29.138 steps/s 2023-02-20 04:28:21,019 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 60.28 -33659 6606.8 -40266 -40266 9.5866 6.0468 -0.35317 5.4268e+05 2023-02-20 04:28:23,011 INFO [main.py:643]
{rank 0/100} MD step = 316900 step time: 00:00:00.018037 Performance: 503.518 ns/day 0.048 hours/ns 29.139 steps/s 2023-02-20 04:28:24,279 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 59.729 -33602 6546.3 -40149 -40149 9.5865 6.0482 -0.35368 5.4286e+05 2023-02-20 04:28:26,637 INFO [main.py:643]
{rank 0/100} MD step = 317000 step time: 00:00:00.018037 Performance: 503.509 ns/day 0.048 hours/ns 29.138 steps/s 2023-02-20 04:28:27,890 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 59.912 -33519 6566.4 -40085 -40085 9.5841 6.0513 -0.35431 5.4302e+05 2023-02-20 04:28:29,844 INFO [main.py:643]
{rank 0/100} MD step = 317100 step time: 00:00:00.018129 Performance: 503.520 ns/day 0.048 hours/ns 29.139 steps/s 2023-02-20 04:28:31,047 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 60.43 -33439 6623.2 -40063 -40063 9.5823 6.0539 -0.35354 5.4322e+05 2023-02-20 04:28:32,954 INFO [main.py:643]
{rank 0/100} MD step = 317200 step time: 00:00:00.018201 Performance: 503.535 ns/day 0.048 hours/ns 29.140 steps/s 2023-02-20 04:28:34,355 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 59.679 -33507 6540.9 -40048 -40048 9.5825 6.0557 -0.35464 5.434e+05 2023-02-20 04:28:36,179 INFO [main.py:643]
{rank 0/100} MD step = 317300 step time: 00:00:00.018249 Performance: 503.544 ns/day 0.048 hours/ns 29.140 steps/s 2023-02-20 04:28:37,532 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 59.541 -33577 6525.8 -40103 -40103 9.5828 6.0555 -0.35421 5.4354e+05 2023-02-20 04:28:39,402 INFO [main.py:643]
{rank 0/100} MD step = 317400 step time: 00:00:00.018220 Performance: 503.554 ns/day 0.048 hours/ns 29.141 steps/s 2023-02-20 04:28:40,627 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 59.735 -33469 6547.1 -40016 -40016 9.5822 6.0572 -0.35484 5.4372e+05 2023-02-20 04:28:42,537 INFO [main.py:643]
{rank 0/100} MD step = 317500 step time: 00:00:00.018005 Performance: 503.568 ns/day 0.048 hours/ns 29.142 steps/s 2023-02-20 04:28:43,832 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 59.768 -33723 6550.7 -40274 -40274 9.582 6.0571 -0.35508 5.4386e+05 2023-02-20 04:28:45,689 INFO [main.py:643]
{rank 0/100} MD step = 317600 step time: 00:00:00.017981 Performance: 503.580 ns/day 0.048 hours/ns 29.142 steps/s 2023-02-20 04:28:46,857 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 60.326 -33421 6611.8 -40033 -40033 9.582 6.0584 -0.35652 5.4408e+05 2023-02-20 04:28:48,787 INFO [main.py:643]
{rank 0/100} MD step = 317700 step time: 00:00:00.018482 Performance: 503.596 ns/day 0.048 hours/ns 29.143 steps/s 2023-02-20 04:28:50,001 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 61.006 -33392 6686.4 -40079 -40079 9.5805 6.059 -0.35813 5.4423e+05 2023-02-20 04:28:51,882 INFO [main.py:643]
{rank 0/100} MD step = 317800 step time: 00:00:00.017899 Performance: 503.611 ns/day 0.048 hours/ns 29.144 steps/s 2023-02-20 04:28:53,166 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 59.238 -33689 6492.6 -40181 -40181 9.5782 6.0609 -0.35812 5.4438e+05 2023-02-20 04:28:54,976 INFO [main.py:643]
{rank 0/100} MD step = 317900 step time: 00:00:00.018061 Performance: 503.627 ns/day 0.048 hours/ns 29.145 steps/s 2023-02-20 04:28:56,182 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 59.97 -33557 6572.7 -40129 -40129 9.5797 6.0627 -0.35878 5.4455e+05 2023-02-20 04:28:58,171 INFO [main.py:643]
{rank 0/100} MD step = 318000 step time: 00:00:00.017923 Performance: 503.638 ns/day 0.048 hours/ns 29.146 steps/s 2023-02-20 04:28:59,349 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 59.976 -33471 6573.4 -40044 -40044 9.581 6.0665 -0.35899 5.4477e+05 2023-02-20 04:29:01,298 INFO [main.py:643]
{rank 0/100} MD step = 318100 step time: 00:00:00.018292 Performance: 503.652 ns/day 0.048 hours/ns 29.147 steps/s 2023-02-20 04:29:02,495 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 60.441 -33600 6624.4 -40225 -40225 9.5817 6.0698 -0.3569 5.4492e+05 2023-02-20 04:29:04,399 INFO [main.py:643]
{rank 0/100} MD step = 318200 step time: 00:00:00.017993 Performance: 503.667 ns/day 0.048 hours/ns 29.147 steps/s 2023-02-20 04:29:05,527 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 60.432 -33551 6623.4 -40174 -40174 9.5825 6.0717 -0.35579 5.4509e+05 2023-02-20 04:29:07,509 INFO [main.py:643]
{rank 0/100} MD step = 318300 step time: 00:00:00.018101 Performance: 503.682 ns/day 0.048 hours/ns 29.148 steps/s 2023-02-20 04:29:08,734 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 59.727 -33681 6546.2 -40228 -40228 9.5819 6.0744 -0.35512 5.4527e+05 2023-02-20 04:29:10,607 INFO [main.py:643]
{rank 0/100} MD step = 318400 step time: 00:00:00.017949 Performance: 503.697 ns/day 0.048 hours/ns 29.149 steps/s 2023-02-20 04:29:11,466 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 60.39 -33514 6618.8 -40132 -40132 9.5813 6.0737 -0.35638 5.4544e+05 2023-02-20 04:29:13,826 INFO [main.py:643]
{rank 0/100} MD step = 318500 step time: 00:00:00.018113 Performance: 503.707 ns/day 0.048 hours/ns 29.150 steps/s 2023-02-20 04:29:15,013 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 61.611 -33243 6752.6 -39995 -39995 9.5797 6.0746 -0.35855 5.4561e+05 2023-02-20 04:29:16,935 INFO [main.py:643]
{rank 0/100} MD step = 318600 step time: 00:00:00.018348 Performance: 503.722 ns/day 0.048 hours/ns 29.151 steps/s 2023-02-20 04:29:18,256 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 60.629 -33494 6645 -40139 -40139 9.5788 6.0743 -0.35922 5.4579e+05 2023-02-20 04:29:20,281 INFO [main.py:643]
{rank 0/100} MD step = 318700 step time: 00:00:00.018270 Performance: 503.726 ns/day 0.048 hours/ns 29.151 steps/s 2023-02-20 04:29:21,509 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 59.09 -33696 6476.3 -40172 -40172 9.5792 6.0745 -0.36078 5.4596e+05 2023-02-20 04:29:23,407 INFO [main.py:643]
{rank 0/100} MD step = 318800 step time: 00:00:00.017807 Performance: 503.740 ns/day 0.048 hours/ns 29.152 steps/s 2023-02-20 04:29:24,891 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 59.464 -33576 6517.3 -40094 -40094 9.5805 6.076 -0.36114 5.4611e+05 2023-02-20 04:29:26,719 INFO [main.py:643]
{rank 0/100} MD step = 318900 step time: 00:00:00.017855 Performance: 503.745 ns/day 0.048 hours/ns 29.152 steps/s 2023-02-20 04:29:28,234 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 60.038 -33562 6580.3 -40143 -40143 9.5811 6.0774 -0.36333 5.463e+05 2023-02-20 04:29:30,125 INFO [main.py:643]
{rank 0/100} MD step = 319000 step time: 00:00:00.018584 Performance: 503.746 ns/day 0.048 hours/ns 29.152 steps/s 2023-02-20 04:29:31,583 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 60.865 -33363 6670.9 -40034 -40034 9.5803 6.0803 -0.3637 5.4648e+05 2023-02-20 04:29:33,498 INFO [main.py:643]
{rank 0/100} MD step = 319100 step time: 00:00:00.018069 Performance: 503.749 ns/day 0.048 hours/ns 29.152 steps/s 2023-02-20 04:29:34,867 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 60.281 -33570 6606.8 -40177 -40177 9.5788 6.0807 -0.36148 5.4661e+05 2023-02-20 04:29:36,694 INFO [main.py:643]
{rank 0/100} MD step = 319200 step time: 00:00:00.018095 Performance: 503.760 ns/day 0.048 hours/ns 29.153 steps/s 2023-02-20 04:29:37,949 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 60.207 -33493 6598.8 -40092 -40092 9.5796 6.0827 -0.36124 5.4682e+05 2023-02-20 04:29:39,787 INFO [main.py:643]
{rank 0/100} MD step = 319300 step time: 00:00:00.018155 Performance: 503.775 ns/day 0.048 hours/ns 29.154 steps/s 2023-02-20 04:29:41,064 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 60.926 -33474 6677.5 -40152 -40152 9.579 6.0805 -0.36024 5.4696e+05 2023-02-20 04:29:42,953 INFO [main.py:643]
{rank 0/100} MD step = 319400 step time: 00:00:00.018136 Performance: 503.787 ns/day 0.048 hours/ns 29.154 steps/s 2023-02-20 04:29:44,287 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 59.693 -33597 6542.4 -40139 -40139 9.5792 6.0801 -0.36099 5.4716e+05 2023-02-20 04:29:46,237 INFO [main.py:643]
{rank 0/100} MD step = 319500 step time: 00:00:00.018321 Performance: 503.794 ns/day 0.048 hours/ns 29.155 steps/s 2023-02-20 04:29:47,410 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 60.472 -33538 6627.8 -40166 -40166 9.5785 6.0812 -0.36172 5.4732e+05 2023-02-20 04:29:49,356 INFO [main.py:643]
{rank 0/100} MD step = 319600 step time: 00:00:00.018342 Performance: 503.808 ns/day 0.048 hours/ns 29.156 steps/s 2023-02-20 04:29:50,594 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 60.65 -33468 6647.3 -40115 -40115 9.5769 6.0817 -0.36223 5.4753e+05 2023-02-20 04:29:52,498 INFO [main.py:643]
{rank 0/100} MD step = 319700 step time: 00:00:00.018104 Performance: 503.822 ns/day 0.048 hours/ns 29.156 steps/s 2023-02-20 04:29:54,295 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 319700 63940 59.304 -33622 6499.8 -40122 -40122 9.5783 6.0828 -0.36335 5.4764e+05 2023-02-20 04:29:56,113 INFO [main.py:643]
{rank 0/100} MD step = 319800 step time: 00:00:00.018029 Performance: 503.813 ns/day 0.048 hours/ns 29.156 steps/s 2023-02-20 04:29:57,413 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 59.92 -33511 6567.3 -40078 -40078 9.5789 6.0843 -0.36364 5.4782e+05 2023-02-20 04:29:59,333 INFO [main.py:643]
{rank 0/100} MD step = 319900 step time: 00:00:00.017960 Performance: 503.823 ns/day 0.048 hours/ns 29.156 steps/s 2023-02-20 04:30:00,725 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 59.626 -33648 6535.1 -40183 -40183 9.5802 6.0859 -0.36493 5.4799e+05 2023-02-20 04:30:02,530 INFO [main.py:643]
{rank 0/100} MD step = 320000 step time: 00:00:00.018022 Performance: 503.833 ns/day 0.048 hours/ns 29.157 steps/s 2023-02-20 04:30:03,924 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 60.008 -33504 6577 -40081 -40081 9.581 6.0876 -0.36488 5.482e+05 2023-02-20 04:30:05,741 INFO [main.py:643]
{rank 0/100} MD step = 320100 step time: 00:00:00.018305 Performance: 503.843 ns/day 0.048 hours/ns 29.158 steps/s 2023-02-20 04:30:07,054 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 59.999 -33543 6576 -40119 -40119 9.579 6.0875 -0.36592 5.4836e+05 2023-02-20 04:30:08,888 INFO [main.py:643]
{rank 0/100} MD step = 320200 step time: 00:00:00.018092 Performance: 503.856 ns/day 0.048 hours/ns 29.158 steps/s 2023-02-20 04:30:10,151 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 59.486 -33638 6519.8 -40157 -40157 9.5775 6.0903 -0.36496 5.4852e+05 2023-02-20 04:30:12,033 INFO [main.py:643]
{rank 0/100} MD step = 320300 step time: 00:00:00.018229 Performance: 503.869 ns/day 0.048 hours/ns 29.159 steps/s 2023-02-20 04:30:13,208 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 58.864 -33683 6451.6 -40135 -40135 9.5764 6.0933 -0.36509 5.4871e+05 2023-02-20 04:30:15,151 INFO [main.py:643]
{rank 0/100} MD step = 320400 step time: 00:00:00.018490 Performance: 503.884 ns/day 0.048 hours/ns 29.160 steps/s 2023-02-20 04:30:16,432 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 60.126 -33645 6589.8 -40234 -40234 9.5728 6.0958 -0.36585 5.4883e+05 2023-02-20 04:30:18,365 INFO [main.py:643]
{rank 0/100} MD step = 320500 step time: 00:00:00.018130 Performance: 503.894 ns/day 0.048 hours/ns 29.161 steps/s 2023-02-20 04:30:19,679 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 59.502 -33657 6521.5 -40179 -40179 9.5705 6.099 -0.36603 5.49e+05 2023-02-20 04:30:21,652 INFO [main.py:643]
{rank 0/100} MD step = 320600 step time: 00:00:00.017954 Performance: 503.900 ns/day 0.048 hours/ns 29.161 steps/s 2023-02-20 04:30:23,160 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 320600 64120 59.928 -33523 6568.2 -40091 -40091 9.5681 6.1006 -0.36573 5.4923e+05 2023-02-20 04:30:25,084 INFO [main.py:643]
{rank 0/100} MD step = 320700 step time: 00:00:00.018208 Performance: 503.900 ns/day 0.048 hours/ns 29.161 steps/s 2023-02-20 04:30:26,492 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 59.091 -33673 6476.4 -40149 -40149 9.5668 6.1026 -0.36413 5.494e+05 2023-02-20 04:30:28,332 INFO [main.py:643]
{rank 0/100} MD step = 320800 step time: 00:00:00.018377 Performance: 503.908 ns/day 0.048 hours/ns 29.161 steps/s 2023-02-20 04:30:29,590 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 61.015 -33436 6687.3 -40123 -40123 9.5662 6.1049 -0.36346 5.4959e+05 2023-02-20 04:30:31,550 INFO [main.py:643]
{rank 0/100} MD step = 320900 step time: 00:00:00.018133 Performance: 503.918 ns/day 0.048 hours/ns 29.162 steps/s 2023-02-20 04:30:32,869 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 59.887 -33552 6563.7 -40116 -40116 9.566 6.1055 -0.36257 5.4976e+05 2023-02-20 04:30:34,765 INFO [main.py:643]
{rank 0/100} MD step = 321000 step time: 00:00:00.017939 Performance: 503.928 ns/day 0.048 hours/ns 29.162 steps/s 2023-02-20 04:30:36,252 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 60.284 -33561 6607.2 -40168 -40168 9.5626 6.1073 -0.36278 5.4993e+05 2023-02-20 04:30:38,185 INFO [main.py:643]
{rank 0/100} MD step = 321100 step time: 00:00:00.017895 Performance: 503.928 ns/day 0.048 hours/ns 29.163 steps/s 2023-02-20 04:30:39,495 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 60.637 -33608 6645.9 -40254 -40254 9.5635 6.1111 -0.36271 5.5009e+05 2023-02-20 04:30:41,323 INFO [main.py:643]
{rank 0/100} MD step = 321200 step time: 00:00:00.019696 Performance: 503.942 ns/day 0.048 hours/ns 29.163 steps/s 2023-02-20 04:30:42,575 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 60.089 -33599 6585.8 -40185 -40185 9.5623 6.1138 -0.36214 5.5023e+05 2023-02-20 04:30:44,456 INFO [main.py:643]
{rank 0/100} MD step = 321300 step time: 00:00:00.018043 Performance: 503.955 ns/day 0.048 hours/ns 29.164 steps/s 2023-02-20 04:30:45,659 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 60.433 -33446 6623.6 -40069 -40069 9.5607 6.1159 -0.36225 5.504e+05 2023-02-20 04:30:47,579 INFO [main.py:643]
{rank 0/100} MD step = 321400 step time: 00:00:00.018073 Performance: 503.969 ns/day 0.048 hours/ns 29.165 steps/s 2023-02-20 04:30:48,878 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 321400 64280 59.18 -33667 6486.2 -40153 -40153 9.5603 6.116 -0.36261 5.5056e+05 2023-02-20 04:30:50,741 INFO [main.py:643]
{rank 0/100} MD step = 321500 step time: 00:00:00.019162 Performance: 503.981 ns/day 0.048 hours/ns 29.166 steps/s 2023-02-20 04:30:51,892 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 59.629 -33508 6535.4 -40043 -40043 9.5619 6.1164 -0.3625 5.5076e+05 2023-02-20 04:30:53,848 INFO [main.py:643]
{rank 0/100} MD step = 321600 step time: 00:00:00.018007 Performance: 503.996 ns/day 0.048 hours/ns 29.166 steps/s 2023-02-20 04:30:55,224 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 321600 64320 59.225 -33650 6491.1 -40141 -40141 9.5615 6.1176 -0.36203 5.5095e+05 2023-02-20 04:30:57,045 INFO [main.py:643]
{rank 0/100} MD step = 321700 step time: 00:00:00.018120 Performance: 504.007 ns/day 0.048 hours/ns 29.167 steps/s 2023-02-20 04:30:58,301 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 58.846 -33814 6449.6 -40264 -40264 9.5611 6.1198 -0.36166 5.5108e+05 2023-02-20 04:31:00,281 INFO [main.py:643]
{rank 0/100} MD step = 321800 step time: 00:00:00.018046 Performance: 504.015 ns/day 0.048 hours/ns 29.168 steps/s 2023-02-20 04:31:01,604 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 59.895 -33427 6564.5 -39991 -39991 9.5596 6.1208 -0.36341 5.5132e+05 2023-02-20 04:31:03,438 INFO [main.py:643]
{rank 0/100} MD step = 321900 step time: 00:00:00.018281 Performance: 504.028 ns/day 0.048 hours/ns 29.168 steps/s 2023-02-20 04:31:04,722 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 59.892 -33565 6564.2 -40129 -40129 9.5597 6.1222 -0.36478 5.5147e+05 2023-02-20 04:31:06,649 INFO [main.py:643]
{rank 0/100} MD step = 322000 step time: 00:00:00.018193 Performance: 504.038 ns/day 0.048 hours/ns 29.169 steps/s 2023-02-20 04:31:08,239 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 322000 64400 60.286 -33477 6607.4 -40084 -40084 9.56 6.1249 -0.36489 5.5164e+05 2023-02-20 04:31:10,099 INFO [main.py:643]
{rank 0/100} MD step = 322100 step time: 00:00:00.018024 Performance: 504.037 ns/day 0.048 hours/ns 29.169 steps/s 2023-02-20 04:31:11,288 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 322100 64420 59.737 -33594 6547.3 -40141 -40141 9.5578 6.1256 -0.36626 5.5179e+05 2023-02-20 04:31:13,239 INFO [main.py:643]
{rank 0/100} MD step = 322200 step time: 00:00:00.018019 Performance: 504.050 ns/day 0.048 hours/ns 29.170 steps/s 2023-02-20 04:31:14,641 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 59.027 -33567 6469.4 -40037 -40037 9.5578 6.1277 -0.36577 5.5198e+05 2023-02-20 04:31:16,713 INFO [main.py:643]
{rank 0/100} MD step = 322300 step time: 00:00:00.017992 Performance: 504.048 ns/day 0.048 hours/ns 29.169 steps/s 2023-02-20 04:31:18,121 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 60.111 -33585 6588.3 -40174 -40174 9.5579 6.1275 -0.3665 5.521e+05 2023-02-20 04:31:20,022 INFO [main.py:643]
{rank 0/100} MD step = 322400 step time: 00:00:00.018581 Performance: 504.053 ns/day 0.048 hours/ns 29.170 steps/s 2023-02-20 04:31:21,180 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 322400 64480 59.813 -33558 6555.6 -40113 -40113 9.5556 6.1294 -0.3665 5.5229e+05 2023-02-20 04:31:23,248 INFO [main.py:643]
{rank 0/100} MD step = 322500 step time: 00:00:00.099015 Performance: 504.062 ns/day 0.048 hours/ns 29.170 steps/s 2023-02-20 04:31:25,165 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 322500 64500 59.639 -33590 6536.5 -40127 -40127 9.5533 6.1294 -0.36623 5.5245e+05 2023-02-20 04:31:27,001 INFO [main.py:643]
{rank 0/100} MD step = 322600 step time: 00:00:00.018523 Performance: 504.048 ns/day 0.048 hours/ns 29.169 steps/s 2023-02-20 04:31:28,456 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 60.354 -33631 6614.9 -40246 -40246 9.5537 6.1308 -0.36639 5.526e+05 2023-02-20 04:31:30,286 INFO [main.py:643]
{rank 0/100} MD step = 322700 step time: 00:00:00.018010 Performance: 504.054 ns/day 0.048 hours/ns 29.170 steps/s 2023-02-20 04:31:31,644 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 60.029 -33557 6579.2 -40137 -40137 9.5536 6.1327 -0.36695 5.5278e+05 2023-02-20 04:31:33,483 INFO [main.py:643]
{rank 0/100} MD step = 322800 step time: 00:00:00.018145 Performance: 504.065 ns/day 0.048 hours/ns 29.170 steps/s 2023-02-20 04:31:34,746 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 59.63 -33515 6535.5 -40050 -40050 9.5534 6.1347 -0.36812 5.5295e+05 2023-02-20 04:31:36,657 INFO [main.py:643]
{rank 0/100} MD step = 322900 step time: 00:00:00.018320 Performance: 504.076 ns/day 0.048 hours/ns 29.171 steps/s 2023-02-20 04:31:37,936 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 60.512 -33558 6632.1 -40190 -40190 9.5528 6.1361 -0.36863 5.5313e+05 2023-02-20 04:31:39,785 INFO [main.py:643]
{rank 0/100} MD step = 323000 step time: 00:00:00.018794 Performance: 504.090 ns/day 0.048 hours/ns 29.172 steps/s 2023-02-20 04:31:41,196 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 60.737 -33467 6656.8 -40124 -40124 9.5522 6.1378 -0.36841 5.5334e+05 2023-02-20 04:31:43,032 INFO [main.py:643]
{rank 0/100} MD step = 323100 step time: 00:00:00.018070 Performance: 504.098 ns/day 0.048 hours/ns 29.172 steps/s 2023-02-20 04:31:44,264 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 60.163 -33469 6593.9 -40063 -40063 9.5531 6.1399 -0.36826 5.535e+05 2023-02-20 04:31:46,168 INFO [main.py:643]
{rank 0/100} MD step = 323200 step time: 00:00:00.018117 Performance: 504.111 ns/day 0.048 hours/ns 29.173 steps/s 2023-02-20 04:31:47,419 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 60.23 -33485 6601.3 -40087 -40087 9.5531 6.142 -0.36744 5.5368e+05 2023-02-20 04:31:49,331 INFO [main.py:643]
{rank 0/100} MD step = 323300 step time: 00:00:00.018091 Performance: 504.123 ns/day 0.048 hours/ns 29.174 steps/s 2023-02-20 04:31:50,655 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 59.313 -33622 6500.7 -40123 -40123 9.5525 6.1424 -0.36886 5.5386e+05 2023-02-20 04:31:52,473 INFO [main.py:643]
{rank 0/100} MD step = 323400 step time: 00:00:00.018298 Performance: 504.136 ns/day 0.048 hours/ns 29.175 steps/s 2023-02-20 04:31:54,392 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 60.371 -33457 6616.8 -40074 -40074 9.5516 6.1444 -0.36902 5.5403e+05 2023-02-20 04:31:56,218 INFO [main.py:643]
{rank 0/100} MD step = 323500 step time: 00:00:00.018430 Performance: 504.122 ns/day 0.048 hours/ns 29.174 steps/s 2023-02-20 04:31:57,531 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 59.904 -33567 6565.6 -40133 -40133 9.5528 6.1457 -0.36993 5.5419e+05 2023-02-20 04:31:59,495 INFO [main.py:643]
{rank 0/100} MD step = 323600 step time: 00:00:00.018408 Performance: 504.129 ns/day 0.048 hours/ns 29.174 steps/s 2023-02-20 04:32:00,721 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 323600 64720 59.916 -33493 6566.8 -40060 -40060 9.5519 6.148 -0.36991 5.5439e+05 2023-02-20 04:32:02,624 INFO [main.py:643]
{rank 0/100} MD step = 323700 step time: 00:00:00.018032 Performance: 504.142 ns/day 0.048 hours/ns 29.175 steps/s 2023-02-20 04:32:03,751 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 59.872 -33571 6562.1 -40133 -40133 9.5515 6.1476 -0.36929 5.5454e+05 2023-02-20 04:32:05,744 INFO [main.py:643]
{rank 0/100} MD step = 323800 step time: 00:00:00.018928 Performance: 504.156 ns/day 0.048 hours/ns 29.176 steps/s 2023-02-20 04:32:06,984 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 323800 64760 59.998 -33679 6575.9 -40255 -40255 9.5512 6.1497 -0.36868 5.5471e+05 2023-02-20 04:32:08,922 INFO [main.py:643]
{rank 0/100} MD step = 323900 step time: 00:00:00.018186 Performance: 504.168 ns/day 0.048 hours/ns 29.176 steps/s 2023-02-20 04:32:10,382 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 60.079 -33693 6584.7 -40278 -40278 9.5516 6.1515 -0.36668 5.5486e+05 2023-02-20 04:32:12,183 INFO [main.py:643]
{rank 0/100} MD step = 324000 step time: 00:00:00.018318 Performance: 504.175 ns/day 0.048 hours/ns 29.177 steps/s 2023-02-20 04:32:13,549 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 59.501 -33748 6521.3 -40269 -40269 9.5513 6.153 -0.36684 5.5502e+05 2023-02-20 04:32:15,389 INFO [main.py:643]
{rank 0/100} MD step = 324100 step time: 00:00:00.018891 Performance: 504.185 ns/day 0.048 hours/ns 29.177 steps/s 2023-02-20 04:32:16,644 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 59.579 -33727 6529.9 -40257 -40257 9.5508 6.1549 -0.36638 5.552e+05 2023-02-20 04:32:18,590 INFO [main.py:643]
{rank 0/100} MD step = 324200 step time: 00:00:00.018089 Performance: 504.196 ns/day 0.048 hours/ns 29.178 steps/s 2023-02-20 04:32:19,763 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 59.718 -33619 6545.1 -40164 -40164 9.5527 6.1577 -0.36718 5.5536e+05 2023-02-20 04:32:21,760 INFO [main.py:643]
{rank 0/100} MD step = 324300 step time: 00:00:00.018110 Performance: 504.207 ns/day 0.048 hours/ns 29.179 steps/s 2023-02-20 04:32:23,047 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 59.941 -33626 6569.7 -40196 -40196 9.5519 6.1606 -0.36617 5.5553e+05 2023-02-20 04:32:24,934 INFO [main.py:643]
{rank 0/100} MD step = 324400 step time: 00:00:00.018242 Performance: 504.219 ns/day 0.048 hours/ns 29.179 steps/s 2023-02-20 04:32:26,323 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 324400 64880 60.415 -33576 6621.6 -40197 -40197 9.5525 6.1611 -0.36623 5.557e+05 2023-02-20 04:32:28,156 INFO [main.py:643]
{rank 0/100} MD step = 324500 step time: 00:00:00.018155 Performance: 504.228 ns/day 0.048 hours/ns 29.180 steps/s 2023-02-20 04:32:29,451 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 59.398 -33595 6510.1 -40106 -40106 9.5492 6.1626 -0.36568 5.5591e+05 2023-02-20 04:32:31,309 INFO [main.py:643]
{rank 0/100} MD step = 324600 step time: 00:00:00.018118 Performance: 504.240 ns/day 0.048 hours/ns 29.181 steps/s 2023-02-20 04:32:32,749 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 60.077 -33502 6584.5 -40087 -40087 9.5484 6.1634 -0.364 5.5607e+05 2023-02-20 04:32:34,574 INFO [main.py:643]
{rank 0/100} MD step = 324700 step time: 00:00:00.018274 Performance: 504.248 ns/day 0.048 hours/ns 29.181 steps/s 2023-02-20 04:32:35,912 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 324700 64940 60.367 -33595 6616.3 -40211 -40211 9.5478 6.1628 -0.36372 5.5623e+05 2023-02-20 04:32:37,746 INFO [main.py:643]
{rank 0/100} MD step = 324800 step time: 00:00:00.017968 Performance: 504.259 ns/day 0.048 hours/ns 29.182 steps/s 2023-02-20 04:32:39,026 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 60.148 -33630 6592.3 -40223 -40223 9.5485 6.1635 -0.36322 5.5638e+05 2023-02-20 04:32:40,902 INFO [main.py:643]
{rank 0/100} MD step = 324900 step time: 00:00:00.018344 Performance: 504.272 ns/day 0.048 hours/ns 29.182 steps/s 2023-02-20 04:32:42,161 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 324900 64980 60.685 -33367 6651.1 -40019 -40019 9.547 6.1657 -0.36345 5.5659e+05 2023-02-20 04:32:44,008 INFO [main.py:643]
{rank 0/100} MD step = 325000 step time: 00:00:00.017958 Performance: 504.286 ns/day 0.048 hours/ns 29.183 steps/s 2023-02-20 04:32:45,365 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 59.943 -33613 6569.8 -40182 -40182 9.5464 6.1664 -0.36556 5.5674e+05 2023-02-20 04:32:47,203 INFO [main.py:643]
{rank 0/100} MD step = 325100 step time: 00:00:00.018179 Performance: 504.297 ns/day 0.048 hours/ns 29.184 steps/s 2023-02-20 04:32:48,677 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 60.228 -33599 6601.1 -40200 -40200 9.5439 6.1697 -0.36615 5.5692e+05 2023-02-20 04:32:50,511 INFO [main.py:643]
{rank 0/100} MD step = 325200 step time: 00:00:00.018217 Performance: 504.302 ns/day 0.048 hours/ns 29.184 steps/s 2023-02-20 04:32:51,829 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 59.438 -33622 6514.5 -40137 -40137 9.5452 6.1715 -0.36682 5.5709e+05 2023-02-20 04:32:53,676 INFO [main.py:643]
{rank 0/100} MD step = 325300 step time: 00:00:00.018046 Performance: 504.314 ns/day 0.048 hours/ns 29.185 steps/s 2023-02-20 04:32:54,866 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 59.777 -33485 6551.6 -40037 -40037 9.5449 6.1722 -0.36829 5.5727e+05 2023-02-20 04:32:56,817 INFO [main.py:643]
{rank 0/100} MD step = 325400 step time: 00:00:00.018100 Performance: 504.327 ns/day 0.048 hours/ns 29.186 steps/s 2023-02-20 04:32:58,117 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 59.595 -33609 6531.6 -40140 -40140 9.5437 6.1749 -0.3686 5.574e+05 2023-02-20 04:33:00,044 INFO [main.py:643]
{rank 0/100} MD step = 325500 step time: 00:00:00.018164 Performance: 504.336 ns/day 0.048 hours/ns 29.186 steps/s 2023-02-20 04:33:01,290 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 60.01 -33570 6577.1 -40147 -40147 9.5438 6.1761 -0.36935 5.5754e+05 2023-02-20 04:33:03,131 INFO [main.py:643]
{rank 0/100} MD step = 325600 step time: 00:00:00.018248 Performance: 504.351 ns/day 0.048 hours/ns 29.187 steps/s 2023-02-20 04:33:04,387 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 59.471 -33487 6518.1 -40005 -40005 9.5428 6.1788 -0.36878 5.5775e+05 2023-02-20 04:33:06,235 INFO [main.py:643]
{rank 0/100} MD step = 325700 step time: 00:00:00.018062 Performance: 504.366 ns/day 0.048 hours/ns 29.188 steps/s 2023-02-20 04:33:07,412 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 60.333 -33339 6612.6 -39952 -39952 9.542 6.1791 -0.36865 5.5796e+05 2023-02-20 04:33:09,403 INFO [main.py:643]
{rank 0/100} MD step = 325800 step time: 00:00:00.018089 Performance: 504.377 ns/day 0.048 hours/ns 29.189 steps/s 2023-02-20 04:33:11,526 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 325800 65160 60.236 -33576 6601.9 -40178 -40178 9.5425 6.1794 -0.36882 5.5807e+05 2023-02-20 04:33:13,459 INFO [main.py:643]
{rank 0/100} MD step = 325900 step time: 00:00:00.018013 Performance: 504.349 ns/day 0.048 hours/ns 29.187 steps/s 2023-02-20 04:33:14,571 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 58.698 -33665 6433.4 -40099 -40099 9.5433 6.1796 -0.36688 5.5824e+05 2023-02-20 04:33:16,617 INFO [main.py:643]
{rank 0/100} MD step = 326000 step time: 00:00:00.017976 Performance: 504.361 ns/day 0.048 hours/ns 29.188 steps/s 2023-02-20 04:33:17,995 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 59.187 -33629 6486.9 -40116 -40116 9.5422 6.1821 -0.3668 5.584e+05 2023-02-20 04:33:19,870 INFO [main.py:643]
{rank 0/100} MD step = 326100 step time: 00:00:00.018004 Performance: 504.369 ns/day 0.048 hours/ns 29.188 steps/s 2023-02-20 04:33:21,250 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 326100 65220 59.827 -33590 6557.1 -40147 -40147 9.5417 6.1853 -0.36668 5.5857e+05 2023-02-20 04:33:23,100 INFO [main.py:643]
{rank 0/100} MD step = 326200 step time: 00:00:00.018044 Performance: 504.378 ns/day 0.048 hours/ns 29.189 steps/s 2023-02-20 04:33:24,305 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 60.661 -33507 6648.5 -40156 -40156 9.5403 6.1869 -0.36765 5.5875e+05 2023-02-20 04:33:26,210 INFO [main.py:643]
{rank 0/100} MD step = 326300 step time: 00:00:00.018156 Performance: 504.392 ns/day 0.048 hours/ns 29.189 steps/s 2023-02-20 04:33:27,398 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 58.673 -33762 6430.7 -40193 -40193 9.5426 6.1884 -0.36745 5.5892e+05 2023-02-20 04:33:29,351 INFO [main.py:643]
{rank 0/100} MD step = 326400 step time: 00:00:00.018230 Performance: 504.405 ns/day 0.048 hours/ns 29.190 steps/s 2023-02-20 04:33:30,508 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 59.809 -33498 6555.2 -40053 -40053 9.5413 6.1907 -0.36854 5.591e+05 2023-02-20 04:33:32,477 INFO [main.py:643]
{rank 0/100} MD step = 326500 step time: 00:00:00.018264 Performance: 504.418 ns/day 0.048 hours/ns 29.191 steps/s 2023-02-20 04:33:34,185 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 326500 65300 59.906 -33646 6565.7 -40212 -40212 9.5422 6.1929 -0.36769 5.5924e+05 2023-02-20 04:33:36,033 INFO [main.py:643]
{rank 0/100} MD step = 326600 step time: 00:00:00.018309 Performance: 504.412 ns/day 0.048 hours/ns 29.191 steps/s 2023-02-20 04:33:37,308 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 59.964 -33524 6572.2 -40096 -40096 9.5415 6.1948 -0.36911 5.5944e+05 2023-02-20 04:33:39,228 INFO [main.py:643]
{rank 0/100} MD step = 326700 step time: 00:00:00.018078 Performance: 504.423 ns/day 0.048 hours/ns 29.191 steps/s 2023-02-20 04:33:41,254 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 60.362 -33475 6615.7 -40091 -40091 9.5417 6.1954 -0.36914 5.5959e+05 2023-02-20 04:33:43,136 INFO [main.py:643]
{rank 0/100} MD step = 326800 step time: 00:00:00.018042 Performance: 504.401 ns/day 0.048 hours/ns 29.190 steps/s 2023-02-20 04:33:44,463 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 326800 65360 59.866 -33691 6561.4 -40252 -40252 9.5411 6.1966 -0.36773 5.5976e+05 2023-02-20 04:33:46,363 INFO [main.py:643]
{rank 0/100} MD step = 326900 step time: 00:00:00.017909 Performance: 504.410 ns/day 0.048 hours/ns 29.190 steps/s 2023-02-20 04:33:47,531 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 60.731 -33520 6656.2 -40176 -40176 9.5427 6.1966 -0.368 5.5994e+05 2023-02-20 04:33:49,497 INFO [main.py:643]
{rank 0/100} MD step = 327000 step time: 00:00:00.018001 Performance: 504.423 ns/day 0.048 hours/ns 29.191 steps/s 2023-02-20 04:33:50,774 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 59.472 -33561 6518.2 -40079 -40079 9.5408 6.1971 -0.36886 5.601e+05 2023-02-20 04:33:52,649 INFO [main.py:643]
{rank 0/100} MD step = 327100 step time: 00:00:00.020762 Performance: 504.435 ns/day 0.048 hours/ns 29.192 steps/s 2023-02-20 04:33:53,434 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 59.031 -33657 6469.9 -40127 -40127 9.5403 6.1977 -0.36772 5.6028e+05 2023-02-20 04:33:55,785 INFO [main.py:643]
{rank 0/100} MD step = 327200 step time: 00:00:00.018014 Performance: 504.449 ns/day 0.048 hours/ns 29.193 steps/s 2023-02-20 04:33:57,029 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 58.962 -33688 6462.3 -40150 -40150 9.5387 6.1991 -0.3682 5.6046e+05 2023-02-20 04:33:58,959 INFO [main.py:643]
{rank 0/100} MD step = 327300 step time: 00:00:00.017961 Performance: 504.460 ns/day 0.048 hours/ns 29.193 steps/s 2023-02-20 04:34:00,127 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 59.5 -33675 6521.3 -40196 -40196 9.5379 6.1996 -0.36745 5.6062e+05 2023-02-20 04:34:02,077 INFO [main.py:643]
{rank 0/100} MD step = 327400 step time: 00:00:00.017998 Performance: 504.474 ns/day 0.048 hours/ns 29.194 steps/s 2023-02-20 04:34:03,405 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 59.133 -33751 6481.1 -40232 -40232 9.5362 6.2012 -0.36661 5.6078e+05 2023-02-20 04:34:05,298 INFO [main.py:643]
{rank 0/100} MD step = 327500 step time: 00:00:00.018146 Performance: 504.483 ns/day 0.048 hours/ns 29.195 steps/s 2023-02-20 04:34:06,471 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 60.464 -33551 6626.9 -40178 -40178 9.5363 6.2014 -0.36558 5.6095e+05 2023-02-20 04:34:08,459 INFO [main.py:643]
{rank 0/100} MD step = 327600 step time: 00:00:00.017911 Performance: 504.495 ns/day 0.048 hours/ns 29.195 steps/s 2023-02-20 04:34:09,874 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 59.465 -33562 6517.4 -40080 -40080 9.5378 6.2032 -0.36454 5.6111e+05 2023-02-20 04:34:11,853 INFO [main.py:643]
{rank 0/100} MD step = 327700 step time: 00:00:00.018182 Performance: 504.496 ns/day 0.048 hours/ns 29.195 steps/s 2023-02-20 04:34:13,108 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 327700 65540 60.737 -33416 6656.8 -40073 -40073 9.5375 6.2053 -0.36529 5.6127e+05 2023-02-20 04:34:14,956 INFO [main.py:643]
{rank 0/100} MD step = 327800 step time: 00:00:00.018288 Performance: 504.511 ns/day 0.048 hours/ns 29.196 steps/s 2023-02-20 04:34:16,176 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 60.456 -33462 6626 -40088 -40088 9.5362 6.2068 -0.36438 5.6145e+05 2023-02-20 04:34:18,097 INFO [main.py:643]
{rank 0/100} MD step = 327900 step time: 00:00:00.018273 Performance: 504.523 ns/day 0.048 hours/ns 29.197 steps/s 2023-02-20 04:34:19,839 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 59.618 -33585 6534.2 -40119 -40119 9.535 6.2086 -0.36494 5.6164e+05 2023-02-20 04:34:21,763 INFO [main.py:643]
{rank 0/100} MD step = 328000 step time: 00:00:00.018235 Performance: 504.513 ns/day 0.048 hours/ns 29.196 steps/s 2023-02-20 04:34:22,986 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 60.503 -33437 6631.2 -40068 -40068 9.5347 6.2104 -0.36433 5.6183e+05 2023-02-20 04:34:24,899 INFO [main.py:643]
{rank 0/100} MD step = 328100 step time: 00:00:00.018091 Performance: 504.526 ns/day 0.048 hours/ns 29.197 steps/s 2023-02-20 04:34:26,275 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 60.304 -33462 6609.4 -40071 -40071 9.5346 6.211 -0.36231 5.6199e+05 2023-02-20 04:34:28,248 INFO [main.py:643]
{rank 0/100} MD step = 328200 step time: 00:00:00.018319 Performance: 504.529 ns/day 0.048 hours/ns 29.197 steps/s 2023-02-20 04:34:29,620 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 59.948 -33550 6570.4 -40120 -40120 9.5366 6.2125 -0.36328 5.6219e+05 2023-02-20 04:34:31,442 INFO [main.py:643]
{rank 0/100} MD step = 328300 step time: 00:00:00.018442 Performance: 504.539 ns/day 0.048 hours/ns 29.198 steps/s 2023-02-20 04:34:32,356 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 59.574 -33629 6529.4 -40159 -40159 9.5359 6.2147 -0.36292 5.6234e+05 2023-02-20 04:34:34,731 INFO [main.py:643]
{rank 0/100} MD step = 328400 step time: 00:00:00.018061 Performance: 504.545 ns/day 0.048 hours/ns 29.198 steps/s 2023-02-20 04:34:37,761 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 59.953 -33542 6570.9 -40113 -40113 9.5345 6.2153 -0.36145 5.6252e+05 2023-02-20 04:34:39,749 INFO [main.py:643]
{rank 0/100} MD step = 328500 step time: 00:00:00.018058 Performance: 504.474 ns/day 0.048 hours/ns 29.194 steps/s 2023-02-20 04:34:40,933 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 60.28 -33522 6606.8 -40128 -40128 9.5335 6.2164 -0.36168 5.627e+05 2023-02-20 04:34:42,876 INFO [main.py:643]
{rank 0/100} MD step = 328600 step time: 00:00:00.018294 Performance: 504.487 ns/day 0.048 hours/ns 29.195 steps/s 2023-02-20 04:34:45,029 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 59.658 -33627 6538.5 -40166 -40166 9.5346 6.2154 -0.36255 5.6283e+05 2023-02-20 04:34:46,972 INFO [main.py:643]
{rank 0/100} MD step = 328700 step time: 00:00:00.018133 Performance: 504.457 ns/day 0.048 hours/ns 29.193 steps/s 2023-02-20 04:34:51,762 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 60.718 -33444 6654.7 -40099 -40099 9.5326 6.2171 -0.36262 5.63e+05 2023-02-20 04:34:53,669 INFO [main.py:643]
{rank 0/100} MD step = 328800 step time: 00:00:00.018087 Performance: 504.311 ns/day 0.048 hours/ns 29.185 steps/s 2023-02-20 04:34:55,905 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 328800 65760 60.439 -33408 6624.2 -40032 -40032 9.532 6.2182 -0.36124 5.6319e+05 2023-02-20 04:34:57,850 INFO [main.py:643]
{rank 0/100} MD step = 328900 step time: 00:00:00.018179 Performance: 504.277 ns/day 0.048 hours/ns 29.183 steps/s 2023-02-20 04:34:59,643 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 59.84 -33613 6558.5 -40171 -40171 9.5308 6.2204 -0.3617 5.6337e+05 2023-02-20 04:35:01,462 INFO [main.py:643]
{rank 0/100} MD step = 329000 step time: 00:00:00.018106 Performance: 504.269 ns/day 0.048 hours/ns 29.182 steps/s 2023-02-20 04:35:02,875 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 59.923 -33685 6567.6 -40253 -40253 9.5323 6.2215 -0.36075 5.6355e+05 2023-02-20 04:35:04,724 INFO [main.py:643]
{rank 0/100} MD step = 329100 step time: 00:00:00.018672 Performance: 504.276 ns/day 0.048 hours/ns 29.183 steps/s 2023-02-20 04:35:06,056 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 329100 65820 60.367 -33472 6616.3 -40089 -40089 9.5337 6.2228 -0.35978 5.6374e+05 2023-02-20 04:35:07,932 INFO [main.py:643]
{rank 0/100} MD step = 329200 step time: 00:00:00.020890 Performance: 504.286 ns/day 0.048 hours/ns 29.183 steps/s 2023-02-20 04:35:09,178 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 60.794 -33406 6663.1 -40069 -40069 9.5335 6.2248 -0.36067 5.6395e+05 2023-02-20 04:35:11,073 INFO [main.py:643]
{rank 0/100} MD step = 329300 step time: 00:00:00.017950 Performance: 504.299 ns/day 0.048 hours/ns 29.184 steps/s 2023-02-20 04:35:12,342 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 59.826 -33546 6557 -40103 -40103 9.5346 6.2261 -0.36017 5.641e+05 2023-02-20 04:35:14,209 INFO [main.py:643]
{rank 0/100} MD step = 329400 step time: 00:00:00.020314 Performance: 504.312 ns/day 0.048 hours/ns 29.185 steps/s 2023-02-20 04:35:15,530 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 59.981 -33623 6574 -40197 -40197 9.5339 6.2277 -0.36036 5.6424e+05 2023-02-20 04:35:17,422 INFO [main.py:643]
{rank 0/100} MD step = 329500 step time: 00:00:00.018066 Performance: 504.321 ns/day 0.048 hours/ns 29.185 steps/s 2023-02-20 04:35:18,643 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 329500 65900 60.248 -33415 6603.3 -40018 -40018 9.5341 6.23 -0.3592 5.6449e+05 2023-02-20 04:35:20,484 INFO [main.py:643]
{rank 0/100} MD step = 329600 step time: 00:00:00.018074 Performance: 504.337 ns/day 0.048 hours/ns 29.186 steps/s 2023-02-20 04:35:21,730 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 59.312 -33553 6500.6 -40054 -40054 9.5356 6.2308 -0.35964 5.6464e+05 2023-02-20 04:35:23,644 INFO [main.py:643]
{rank 0/100} MD step = 329700 step time: 00:00:00.019066 Performance: 504.349 ns/day 0.048 hours/ns 29.187 steps/s 2023-02-20 04:35:24,887 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 329700 65940 60.616 -33418 6643.5 -40062 -40062 9.5351 6.2325 -0.35876 5.6483e+05 2023-02-20 04:35:26,788 INFO [main.py:643]
{rank 0/100} MD step = 329800 step time: 00:00:00.018349 Performance: 504.362 ns/day 0.048 hours/ns 29.188 steps/s 2023-02-20 04:35:28,244 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 329800 65960 59.961 -33554 6571.8 -40126 -40126 9.5355 6.2317 -0.35933 5.6499e+05 2023-02-20 04:35:30,140 INFO [main.py:643]
{rank 0/100} MD step = 329900 step time: 00:00:00.018052 Performance: 504.365 ns/day 0.048 hours/ns 29.188 steps/s 2023-02-20 04:35:31,499 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 60.062 -33419 6582.9 -40002 -40002 9.5357 6.2332 -0.35886 5.6518e+05 2023-02-20 04:35:33,316 INFO [main.py:643]
{rank 0/100} MD step = 330000 step time: 00:00:00.018123 Performance: 504.376 ns/day 0.048 hours/ns 29.188 steps/s 2023-02-20 04:35:34,792 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 59.844 -33556 6559 -40115 -40115 9.5349 6.2361 -0.35972 5.6533e+05 2023-02-20 04:35:36,636 INFO [main.py:643]
{rank 0/100} MD step = 330100 step time: 00:00:00.018049 Performance: 504.381 ns/day 0.048 hours/ns 29.189 steps/s 2023-02-20 04:35:37,785 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 59.651 -33615 6537.8 -40153 -40153 9.5349 6.2377 -0.35996 5.6553e+05 2023-02-20 04:35:39,752 INFO [main.py:643]
{rank 0/100} MD step = 330200 step time: 00:00:00.018010 Performance: 504.395 ns/day 0.048 hours/ns 29.190 steps/s 2023-02-20 04:35:40,928 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 59.809 -33578 6555.1 -40133 -40133 9.537 6.2391 -0.35947 5.657e+05 2023-02-20 04:35:42,849 INFO [main.py:643]
{rank 0/100} MD step = 330300 step time: 00:00:00.018166 Performance: 504.410 ns/day 0.048 hours/ns 29.190 steps/s 2023-02-20 04:35:43,666 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 60.481 -33500 6628.8 -40129 -40129 9.539 6.2398 -0.35939 5.6585e+05 2023-02-20 04:35:45,990 INFO [main.py:643]
{rank 0/100} MD step = 330400 step time: 00:00:00.018095 Performance: 504.422 ns/day 0.048 hours/ns 29.191 steps/s 2023-02-20 04:35:47,401 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 59.189 -33665 6487.1 -40152 -40152 9.5422 6.2424 -0.35859 5.6602e+05 2023-02-20 04:35:49,221 INFO [main.py:643]
{rank 0/100} MD step = 330500 step time: 00:00:00.017924 Performance: 504.431 ns/day 0.048 hours/ns 29.192 steps/s 2023-02-20 04:35:50,446 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 59.512 -33649 6522.6 -40172 -40172 9.5439 6.2433 -0.35937 5.6617e+05 2023-02-20 04:35:52,349 INFO [main.py:643]
{rank 0/100} MD step = 330600 step time: 00:00:00.019106 Performance: 504.444 ns/day 0.048 hours/ns 29.192 steps/s 2023-02-20 04:35:53,713 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 60.578 -33458 6639.4 -40097 -40097 9.5464 6.2457 -0.35812 5.6632e+05 2023-02-20 04:35:55,568 INFO [main.py:643]
{rank 0/100} MD step = 330700 step time: 00:00:00.017931 Performance: 504.453 ns/day 0.048 hours/ns 29.193 steps/s 2023-02-20 04:35:57,281 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 59.825 -33604 6556.9 -40161 -40161 9.5486 6.2485 -0.35933 5.665e+05 2023-02-20 04:35:59,172 INFO [main.py:643]
{rank 0/100} MD step = 330800 step time: 00:00:00.018104 Performance: 504.445 ns/day 0.048 hours/ns 29.192 steps/s 2023-02-20 04:36:00,532 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 60.858 -33533 6670.1 -40203 -40203 9.5522 6.2496 -0.35914 5.6666e+05 2023-02-20 04:36:02,342 INFO [main.py:643]
{rank 0/100} MD step = 330900 step time: 00:00:00.018311 Performance: 504.457 ns/day 0.048 hours/ns 29.193 steps/s 2023-02-20 04:36:03,594 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 59.917 -33454 6567 -40021 -40021 9.5544 6.2516 -0.36023 5.6685e+05 2023-02-20 04:36:05,522 INFO [main.py:643]
{rank 0/100} MD step = 331000 step time: 00:00:00.018150 Performance: 504.468 ns/day 0.048 hours/ns 29.194 steps/s 2023-02-20 04:36:06,393 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 60.186 -33442 6596.5 -40038 -40038 9.555 6.2523 -0.36129 5.6701e+05 2023-02-20 04:36:08,722 INFO [main.py:643]
{rank 0/100} MD step = 331100 step time: 00:00:00.018024 Performance: 504.478 ns/day 0.048 hours/ns 29.194 steps/s 2023-02-20 04:36:10,411 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 59.862 -33479 6561 -40040 -40040 9.5561 6.2541 -0.36206 5.6718e+05 2023-02-20 04:36:12,424 INFO [main.py:643]
{rank 0/100} MD step = 331200 step time: 00:00:00.018045 Performance: 504.465 ns/day 0.048 hours/ns 29.194 steps/s 2023-02-20 04:36:13,819 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 60.381 -33644 6617.9 -40262 -40262 9.5579 6.2545 -0.36147 5.6731e+05 2023-02-20 04:36:15,836 INFO [main.py:643]
{rank 0/100} MD step = 331300 step time: 00:00:00.018065 Performance: 504.466 ns/day 0.048 hours/ns 29.194 steps/s 2023-02-20 04:36:17,052 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 61.223 -33465 6710.1 -40175 -40175 9.5589 6.2558 -0.36218 5.6751e+05 2023-02-20 04:36:19,082 INFO [main.py:643]
{rank 0/100} MD step = 331400 step time: 00:00:00.018455 Performance: 504.474 ns/day 0.048 hours/ns 29.194 steps/s 2023-02-20 04:36:20,360 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 60.817 -33459 6665.6 -40124 -40124 9.5599 6.2572 -0.36204 5.6769e+05 2023-02-20 04:36:22,211 INFO [main.py:643]
{rank 0/100} MD step = 331500 step time: 00:00:00.018185 Performance: 504.487 ns/day 0.048 hours/ns 29.195 steps/s 2023-02-20 04:36:23,464 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 59.47 -33569 6517.9 -40087 -40087 9.5619 6.2593 -0.36154 5.6786e+05 2023-02-20 04:36:25,462 INFO [main.py:643]
{rank 0/100} MD step = 331600 step time: 00:00:00.018059 Performance: 504.495 ns/day 0.048 hours/ns 29.195 steps/s 2023-02-20 04:36:26,717 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 331600 66320 60.679 -33494 6650.5 -40144 -40144 9.5626 6.2617 -0.36337 5.6803e+05 2023-02-20 04:36:28,669 INFO [main.py:643]
{rank 0/100} MD step = 331700 step time: 00:00:00.018065 Performance: 504.505 ns/day 0.048 hours/ns 29.196 steps/s 2023-02-20 04:36:30,018 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 60.297 -33489 6608.7 -40097 -40097 9.5624 6.2627 -0.36383 5.6822e+05 2023-02-20 04:36:31,827 INFO [main.py:643]
{rank 0/100} MD step = 331800 step time: 00:00:00.018073 Performance: 504.517 ns/day 0.048 hours/ns 29.197 steps/s 2023-02-20 04:36:33,227 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 59.634 -33567 6536 -40103 -40103 9.5631 6.2637 -0.36463 5.6836e+05 2023-02-20 04:36:35,058 INFO [main.py:643]
{rank 0/100} MD step = 331900 step time: 00:00:00.018070 Performance: 504.525 ns/day 0.048 hours/ns 29.197 steps/s 2023-02-20 04:36:36,527 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 60.051 -33664 6581.6 -40245 -40245 9.5638 6.2655 -0.36501 5.6851e+05 2023-02-20 04:36:38,358 INFO [main.py:643]
{rank 0/100} MD step = 332000 step time: 00:00:00.018200 Performance: 504.531 ns/day 0.048 hours/ns 29.197 steps/s 2023-02-20 04:36:40,212 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 59.675 -33610 6540.5 -40150 -40150 9.5653 6.2677 -0.36631 5.6868e+05 2023-02-20 04:36:42,089 INFO [main.py:643]
{rank 0/100} MD step = 332100 step time: 00:00:00.018061 Performance: 504.517 ns/day 0.048 hours/ns 29.197 steps/s 2023-02-20 04:36:43,357 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 60.038 -33549 6580.3 -40129 -40129 9.5661 6.2689 -0.36465 5.689e+05 2023-02-20 04:36:45,294 INFO [main.py:643]
{rank 0/100} MD step = 332200 step time: 00:00:00.018112 Performance: 504.527 ns/day 0.048 hours/ns 29.197 steps/s 2023-02-20 04:36:46,116 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 60.577 -33463 6639.3 -40102 -40102 9.5658 6.2715 -0.3643 5.6907e+05 2023-02-20 04:36:48,521 INFO [main.py:643]
{rank 0/100} MD step = 332300 step time: 00:00:00.017971 Performance: 504.536 ns/day 0.048 hours/ns 29.198 steps/s 2023-02-20 04:36:50,962 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 60.123 -33474 6589.5 -40064 -40064 9.5666 6.2725 -0.3651 5.6923e+05 2023-02-20 04:36:52,833 INFO [main.py:643]
{rank 0/100} MD step = 332400 step time: 00:00:00.017934 Performance: 504.496 ns/day 0.048 hours/ns 29.195 steps/s 2023-02-20 04:36:53,763 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 59.569 -33650 6528.8 -40178 -40178 9.5685 6.2749 -0.36509 5.6938e+05 2023-02-20 04:36:56,135 INFO [main.py:643]
{rank 0/100} MD step = 332500 step time: 00:00:00.019713 Performance: 504.502 ns/day 0.048 hours/ns 29.196 steps/s 2023-02-20 04:36:57,388 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 60.472 -33355 6627.9 -39983 -39983 9.5714 6.2752 -0.36642 5.6956e+05 2023-02-20 04:36:59,329 INFO [main.py:643]
{rank 0/100} MD step = 332600 step time: 00:00:00.017990 Performance: 504.512 ns/day 0.048 hours/ns 29.196 steps/s 2023-02-20 04:37:00,542 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 60.417 -33413 6621.8 -40035 -40035 9.5729 6.2764 -0.36665 5.6972e+05 2023-02-20 04:37:02,534 INFO [main.py:643]
{rank 0/100} MD step = 332700 step time: 00:00:00.018102 Performance: 504.522 ns/day 0.048 hours/ns 29.197 steps/s 2023-02-20 04:37:03,816 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 332700 66540 60.948 -33402 6680 -40082 -40082 9.5749 6.2776 -0.367 5.6988e+05 2023-02-20 04:37:05,727 INFO [main.py:643]
{rank 0/100} MD step = 332800 step time: 00:00:00.018125 Performance: 504.532 ns/day 0.048 hours/ns 29.197 steps/s 2023-02-20 04:37:07,682 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 60.3 -33613 6608.9 -40222 -40222 9.5755 6.2823 -0.36537 5.7003e+05 2023-02-20 04:37:09,607 INFO [main.py:643]
{rank 0/100} MD step = 332900 step time: 00:00:00.018030 Performance: 504.512 ns/day 0.048 hours/ns 29.196 steps/s 2023-02-20 04:37:10,890 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 59.882 -33491 6563.2 -40054 -40054 9.5786 6.2837 -0.36497 5.7022e+05 2023-02-20 04:37:12,793 INFO [main.py:643]
{rank 0/100} MD step = 333000 step time: 00:00:00.017984 Performance: 504.522 ns/day 0.048 hours/ns 29.197 steps/s 2023-02-20 04:37:14,198 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 59.596 -33560 6531.8 -40092 -40092 9.5801 6.2858 -0.36457 5.704e+05 2023-02-20 04:37:16,040 INFO [main.py:643]
{rank 0/100} MD step = 333100 step time: 00:00:00.017961 Performance: 504.530 ns/day 0.048 hours/ns 29.197 steps/s 2023-02-20 04:37:17,204 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 59.475 -33590 6518.5 -40108 -40108 9.5833 6.2894 -0.36519 5.7055e+05 2023-02-20 04:37:19,193 INFO [main.py:643]
{rank 0/100} MD step = 333200 step time: 00:00:00.018237 Performance: 504.542 ns/day 0.048 hours/ns 29.198 steps/s 2023-02-20 04:37:20,493 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 59.756 -33487 6549.3 -40037 -40037 9.5849 6.2901 -0.36459 5.7074e+05 2023-02-20 04:37:22,419 INFO [main.py:643]
{rank 0/100} MD step = 333300 step time: 00:00:00.018229 Performance: 504.551 ns/day 0.048 hours/ns 29.199 steps/s 2023-02-20 04:37:23,533 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 60.111 -33495 6588.2 -40083 -40083 9.5871 6.2903 -0.36653 5.7087e+05 2023-02-20 04:37:25,481 INFO [main.py:643]
{rank 0/100} MD step = 333400 step time: 00:00:00.017944 Performance: 504.567 ns/day 0.048 hours/ns 29.199 steps/s 2023-02-20 04:37:26,795 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 61.341 -33367 6723.1 -40090 -40090 9.5902 6.2921 -0.3678 5.7106e+05 2023-02-20 04:37:28,683 INFO [main.py:643]
{rank 0/100} MD step = 333500 step time: 00:00:00.017927 Performance: 504.577 ns/day 0.048 hours/ns 29.200 steps/s 2023-02-20 04:37:29,923 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 59.493 -33642 6520.5 -40163 -40163 9.5916 6.2948 -0.36892 5.712e+05 2023-02-20 04:37:31,883 INFO [main.py:643]
{rank 0/100} MD step = 333600 step time: 00:00:00.018104 Performance: 504.587 ns/day 0.048 hours/ns 29.201 steps/s 2023-02-20 04:37:33,286 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 60.156 -33598 6593.2 -40191 -40191 9.5964 6.2959 -0.36783 5.7136e+05 2023-02-20 04:37:35,145 INFO [main.py:643]
{rank 0/100} MD step = 333700 step time: 00:00:00.018581 Performance: 504.594 ns/day 0.048 hours/ns 29.201 steps/s 2023-02-20 04:37:36,527 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 60.071 -33493 6583.8 -40077 -40077 9.5992 6.2985 -0.36791 5.7153e+05 2023-02-20 04:37:38,492 INFO [main.py:643]
{rank 0/100} MD step = 333800 step time: 00:00:00.018092 Performance: 504.598 ns/day 0.048 hours/ns 29.201 steps/s 2023-02-20 04:37:39,501 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 60.274 -33453 6606.1 -40059 -40059 9.6009 6.3006 -0.368 5.7174e+05 2023-02-20 04:37:41,551 INFO [main.py:643]
{rank 0/100} MD step = 333900 step time: 00:00:00.017999 Performance: 504.614 ns/day 0.048 hours/ns 29.202 steps/s 2023-02-20 04:37:42,994 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 333900 66780 60.07 -33559 6583.8 -40143 -40143 9.6016 6.3014 -0.36684 5.7191e+05 2023-02-20 04:37:45,037 INFO [main.py:643]
{rank 0/100} MD step = 334000 step time: 00:00:00.018183 Performance: 504.611 ns/day 0.048 hours/ns 29.202 steps/s 2023-02-20 04:37:46,360 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 60.327 -33535 6612 -40147 -40147 9.6045 6.3036 -0.36612 5.7204e+05 2023-02-20 04:37:48,223 INFO [main.py:643]
{rank 0/100} MD step = 334100 step time: 00:00:00.018034 Performance: 504.622 ns/day 0.048 hours/ns 29.203 steps/s 2023-02-20 04:37:49,384 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 334100 66820 60.027 -33521 6579.1 -40100 -40100 9.6099 6.3043 -0.36584 5.7225e+05 2023-02-20 04:37:51,333 INFO [main.py:643]
{rank 0/100} MD step = 334200 step time: 00:00:00.018651 Performance: 504.635 ns/day 0.048 hours/ns 29.203 steps/s 2023-02-20 04:37:52,313 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 59.925 -33492 6567.9 -40060 -40060 9.6145 6.3062 -0.36598 5.724e+05 2023-02-20 04:37:54,681 INFO [main.py:643]
{rank 0/100} MD step = 334300 step time: 00:00:00.018155 Performance: 504.639 ns/day 0.048 hours/ns 29.204 steps/s 2023-02-20 04:37:56,107 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 334300 66860 59.993 -33492 6575.3 -40067 -40067 9.6191 6.3085 -0.36482 5.726e+05 2023-02-20 04:37:58,048 INFO [main.py:643]
{rank 0/100} MD step = 334400 step time: 00:00:00.018237 Performance: 504.641 ns/day 0.048 hours/ns 29.204 steps/s 2023-02-20 04:37:59,276 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 60.357 -33563 6615.2 -40178 -40178 9.6251 6.3087 -0.36554 5.7276e+05 2023-02-20 04:38:01,239 INFO [main.py:643]
{rank 0/100} MD step = 334500 step time: 00:00:00.018312 Performance: 504.651 ns/day 0.048 hours/ns 29.204 steps/s 2023-02-20 04:38:02,546 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 334500 66900 60.47 -33452 6627.5 -40080 -40080 9.6276 6.3093 -0.36702 5.7295e+05 2023-02-20 04:38:04,560 INFO [main.py:643]
{rank 0/100} MD step = 334600 step time: 00:00:00.018275 Performance: 504.656 ns/day 0.048 hours/ns 29.205 steps/s 2023-02-20 04:38:05,805 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 334600 66920 59.405 -33638 6510.9 -40149 -40149 9.6322 6.3085 -0.36728 5.7309e+05 2023-02-20 04:38:07,772 INFO [main.py:643]
{rank 0/100} MD step = 334700 step time: 00:00:00.018134 Performance: 504.665 ns/day 0.048 hours/ns 29.205 steps/s 2023-02-20 04:38:08,937 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 60.092 -33420 6586.2 -40006 -40006 9.6362 6.3101 -0.36794 5.7329e+05 2023-02-20 04:38:10,939 INFO [main.py:643]
{rank 0/100} MD step = 334800 step time: 00:00:00.019948 Performance: 504.677 ns/day 0.048 hours/ns 29.206 steps/s 2023-02-20 04:38:12,314 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 334800 66960 60.088 -33561 6585.8 -40147 -40147 9.6387 6.3105 -0.36724 5.7346e+05 2023-02-20 04:38:14,141 INFO [main.py:643]
{rank 0/100} MD step = 334900 step time: 00:00:00.018079 Performance: 504.686 ns/day 0.048 hours/ns 29.206 steps/s 2023-02-20 04:38:14,969 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 60.278 -33541 6606.5 -40147 -40147 9.6433 6.3129 -0.36681 5.7362e+05 2023-02-20 04:38:17,300 INFO [main.py:643]
{rank 0/100} MD step = 335000 step time: 00:00:00.018080 Performance: 504.698 ns/day 0.048 hours/ns 29.207 steps/s 2023-02-20 04:38:18,658 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 60.139 -33510 6591.4 -40101 -40101 9.6478 6.3153 -0.36706 5.7382e+05 2023-02-20 04:38:20,485 INFO [main.py:643]
{rank 0/100} MD step = 335100 step time: 00:00:00.018047 Performance: 504.709 ns/day 0.048 hours/ns 29.208 steps/s 2023-02-20 04:38:21,782 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 60.234 -33465 6601.8 -40067 -40067 9.6522 6.3162 -0.36637 5.74e+05 2023-02-20 04:38:23,644 INFO [main.py:643]
{rank 0/100} MD step = 335200 step time: 00:00:00.018006 Performance: 504.720 ns/day 0.048 hours/ns 29.208 steps/s 2023-02-20 04:38:25,050 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 335200 67040 60.813 -33528 6665.2 -40193 -40193 9.6584 6.3174 -0.36733 5.7414e+05 2023-02-20 04:38:26,917 INFO [main.py:643]
{rank 0/100} MD step = 335300 step time: 00:00:00.018231 Performance: 504.727 ns/day 0.048 hours/ns 29.209 steps/s 2023-02-20 04:38:28,404 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 59.516 -33602 6523.1 -40125 -40125 9.6616 6.3188 -0.36829 5.7432e+05 2023-02-20 04:38:30,273 INFO [main.py:643]
{rank 0/100} MD step = 335400 step time: 00:00:00.018130 Performance: 504.730 ns/day 0.048 hours/ns 29.209 steps/s 2023-02-20 04:38:31,696 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 60.114 -33585 6588.6 -40174 -40174 9.6653 6.3205 -0.36943 5.7451e+05 2023-02-20 04:38:33,779 INFO [main.py:643]
{rank 0/100} MD step = 335500 step time: 00:00:00.163871 Performance: 504.726 ns/day 0.048 hours/ns 29.209 steps/s 2023-02-20 04:38:35,104 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 59.663 -33511 6539.1 -40050 -40050 9.6708 6.3226 -0.36836 5.747e+05 2023-02-20 04:38:36,976 INFO [main.py:643]
{rank 0/100} MD step = 335600 step time: 00:00:00.018188 Performance: 504.736 ns/day 0.048 hours/ns 29.209 steps/s 2023-02-20 04:38:38,160 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 59.516 -33543 6523 -40066 -40066 9.6759 6.3252 -0.36833 5.7488e+05 2023-02-20 04:38:40,077 INFO [main.py:643]
{rank 0/100} MD step = 335700 step time: 00:00:00.018060 Performance: 504.750 ns/day 0.048 hours/ns 29.210 steps/s 2023-02-20 04:38:41,916 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 335700 67140 59.737 -33659 6547.2 -40206 -40206 9.6782 6.3269 -0.3688 5.7503e+05 2023-02-20 04:38:43,905 INFO [main.py:643]
{rank 0/100} MD step = 335800 step time: 00:00:00.018170 Performance: 504.733 ns/day 0.048 hours/ns 29.209 steps/s 2023-02-20 04:38:45,212 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 60.287 -33646 6607.5 -40254 -40254 9.68 6.3288 -0.36957 5.752e+05 2023-02-20 04:38:47,125 INFO [main.py:643]
{rank 0/100} MD step = 335900 step time: 00:00:00.018540 Performance: 504.742 ns/day 0.048 hours/ns 29.210 steps/s 2023-02-20 04:38:48,402 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 60.017 -33463 6577.9 -40041 -40041 9.6857 6.3291 -0.37031 5.7542e+05 2023-02-20 04:38:50,341 INFO [main.py:643]
{rank 0/100} MD step = 336000 step time: 00:00:00.019148 Performance: 504.751 ns/day 0.048 hours/ns 29.210 steps/s 2023-02-20 04:38:51,528 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 59.475 -33665 6518.5 -40183 -40183 9.6899 6.3308 -0.37119 5.7557e+05 2023-02-20 04:38:53,452 INFO [main.py:643]
{rank 0/100} MD step = 336100 step time: 00:00:00.018111 Performance: 504.764 ns/day 0.048 hours/ns 29.211 steps/s 2023-02-20 04:38:54,731 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 336100 67220 59.19 -33668 6487.2 -40155 -40155 9.6942 6.3323 -0.37221 5.7575e+05 2023-02-20 04:38:56,549 INFO [main.py:643]
{rank 0/100} MD step = 336200 step time: 00:00:00.019813 Performance: 504.779 ns/day 0.048 hours/ns 29.212 steps/s 2023-02-20 04:38:57,835 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 59.376 -33529 6507.7 -40037 -40037 9.6995 6.3338 -0.37289 5.7592e+05 2023-02-20 04:38:59,704 INFO [main.py:643]
{rank 0/100} MD step = 336300 step time: 00:00:00.018068 Performance: 504.790 ns/day 0.048 hours/ns 29.212 steps/s 2023-02-20 04:39:00,937 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 59.349 -33690 6504.8 -40195 -40195 9.702 6.3341 -0.37358 5.7605e+05 2023-02-20 04:39:02,905 INFO [main.py:643]
{rank 0/100} MD step = 336400 step time: 00:00:00.019910 Performance: 504.800 ns/day 0.048 hours/ns 29.213 steps/s 2023-02-20 04:39:04,130 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 60.021 -33685 6578.3 -40263 -40263 9.7063 6.3366 -0.37352 5.7621e+05 2023-02-20 04:39:06,013 INFO [main.py:643]
{rank 0/100} MD step = 336500 step time: 00:00:00.019011 Performance: 504.814 ns/day 0.048 hours/ns 29.214 steps/s 2023-02-20 04:39:07,232 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 58.978 -33684 6464.1 -40148 -40148 9.7091 6.3396 -0.37282 5.764e+05 2023-02-20 04:39:09,121 INFO [main.py:643]
{rank 0/100} MD step = 336600 step time: 00:00:00.018203 Performance: 504.828 ns/day 0.048 hours/ns 29.215 steps/s 2023-02-20 04:39:10,330 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 59.055 -33694 6472.5 -40167 -40167 9.7111 6.3409 -0.37271 5.7658e+05 2023-02-20 04:39:12,281 INFO [main.py:643]
{rank 0/100} MD step = 336700 step time: 00:00:00.017958 Performance: 504.839 ns/day 0.048 hours/ns 29.215 steps/s 2023-02-20 04:39:14,107 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 59.999 -33527 6575.9 -40103 -40103 9.7146 6.342 -0.37354 5.7678e+05 2023-02-20 04:39:16,075 INFO [main.py:643]
{rank 0/100} MD step = 336800 step time: 00:00:00.017994 Performance: 504.823 ns/day 0.048 hours/ns 29.214 steps/s 2023-02-20 04:39:17,283 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 336800 67360 60.925 -33477 6677.5 -40154 -40154 9.7195 6.343 -0.37558 5.7694e+05 2023-02-20 04:39:19,229 INFO [main.py:643]
{rank 0/100} MD step = 336900 step time: 00:00:00.018088 Performance: 504.835 ns/day 0.048 hours/ns 29.215 steps/s 2023-02-20 04:39:20,543 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 60.85 -33416 6669.2 -40085 -40085 9.7227 6.3453 -0.37379 5.7712e+05 2023-02-20 04:39:22,363 INFO [main.py:643]
{rank 0/100} MD step = 337000 step time: 00:00:00.018085 Performance: 504.847 ns/day 0.048 hours/ns 29.216 steps/s 2023-02-20 04:39:23,555 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 59.912 -33631 6566.4 -40197 -40197 9.7246 6.3482 -0.37279 5.7728e+05 2023-02-20 04:39:25,500 INFO [main.py:643]
{rank 0/100} MD step = 337100 step time: 00:00:00.018212 Performance: 504.860 ns/day 0.048 hours/ns 29.216 steps/s 2023-02-20 04:39:26,694 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 59.287 -33707 6497.9 -40205 -40205 9.7289 6.3494 -0.37444 5.7745e+05 2023-02-20 04:39:28,620 INFO [main.py:643]
{rank 0/100} MD step = 337200 step time: 00:00:00.017906 Performance: 504.873 ns/day 0.048 hours/ns 29.217 steps/s 2023-02-20 04:39:29,868 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 59.807 -33447 6554.9 -40002 -40002 9.7322 6.3495 -0.37478 5.7767e+05 2023-02-20 04:39:31,766 INFO [main.py:643]
{rank 0/100} MD step = 337300 step time: 00:00:00.018004 Performance: 504.885 ns/day 0.048 hours/ns 29.218 steps/s 2023-02-20 04:39:32,957 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 59.038 -33693 6470.7 -40164 -40164 9.7351 6.351 -0.37465 5.7784e+05 2023-02-20 04:39:34,902 INFO [main.py:643]
{rank 0/100} MD step = 337400 step time: 00:00:00.018063 Performance: 504.898 ns/day 0.048 hours/ns 29.219 steps/s 2023-02-20 04:39:36,078 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 60.284 -33513 6607.2 -40120 -40120 9.7391 6.3546 -0.37387 5.7802e+05 2023-02-20 04:39:38,054 INFO [main.py:643]
{rank 0/100} MD step = 337500 step time: 00:00:00.018041 Performance: 504.910 ns/day 0.048 hours/ns 29.219 steps/s 2023-02-20 04:39:39,287 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 59.921 -33522 6567.5 -40089 -40089 9.7416 6.3572 -0.37438 5.7817e+05 2023-02-20 04:39:41,168 INFO [main.py:643]
{rank 0/100} MD step = 337600 step time: 00:00:00.018147 Performance: 504.923 ns/day 0.048 hours/ns 29.220 steps/s 2023-02-20 04:39:42,736 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 337600 67520 59.771 -33487 6551 -40038 -40038 9.7482 6.358 -0.37385 5.7837e+05 2023-02-20 04:39:44,570 INFO [main.py:643]
{rank 0/100} MD step = 337700 step time: 00:00:00.018118 Performance: 504.924 ns/day 0.048 hours/ns 29.220 steps/s 2023-02-20 04:39:45,963 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 59.574 -33509 6529.3 -40039 -40039 9.7508 6.3576 -0.37446 5.7856e+05 2023-02-20 04:39:47,891 INFO [main.py:643]
{rank 0/100} MD step = 337800 step time: 00:00:00.018185 Performance: 504.928 ns/day 0.048 hours/ns 29.220 steps/s 2023-02-20 04:39:49,161 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 60.707 -33367 6653.5 -40020 -40020 9.7548 6.3584 -0.37569 5.7871e+05 2023-02-20 04:39:51,033 INFO [main.py:643]
{rank 0/100} MD step = 337900 step time: 00:00:00.018737 Performance: 504.941 ns/day 0.048 hours/ns 29.221 steps/s 2023-02-20 04:39:52,357 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 337900 67580 59.858 -33537 6560.5 -40098 -40098 9.7607 6.3585 -0.37679 5.7887e+05 2023-02-20 04:39:54,213 INFO [main.py:643]
{rank 0/100} MD step = 338000 step time: 00:00:00.018812 Performance: 504.951 ns/day 0.048 hours/ns 29.222 steps/s 2023-02-20 04:39:55,394 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 338000 67600 59.791 -33643 6553.2 -40196 -40196 9.7643 6.3605 -0.37789 5.7902e+05 2023-02-20 04:39:57,345 INFO [main.py:643]
{rank 0/100} MD step = 338100 step time: 00:00:00.018221 Performance: 504.964 ns/day 0.048 hours/ns 29.222 steps/s 2023-02-20 04:39:58,628 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 59.024 -33549 6469.1 -40018 -40018 9.7682 6.3628 -0.37769 5.7921e+05 2023-02-20 04:40:00,444 INFO [main.py:643]
{rank 0/100} MD step = 338200 step time: 00:00:00.018163 Performance: 504.978 ns/day 0.048 hours/ns 29.223 steps/s 2023-02-20 04:40:01,846 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 59.436 -33707 6514.2 -40221 -40221 9.7724 6.3641 -0.3772 5.7936e+05 2023-02-20 04:40:03,705 INFO [main.py:643]
{rank 0/100} MD step = 338300 step time: 00:00:00.017994 Performance: 504.985 ns/day 0.048 hours/ns 29.224 steps/s 2023-02-20 04:40:05,069 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 60.485 -33633 6629.3 -40262 -40262 9.7749 6.3659 -0.3766 5.7951e+05 2023-02-20 04:40:06,972 INFO [main.py:643]
{rank 0/100} MD step = 338400 step time: 00:00:00.018182 Performance: 504.992 ns/day 0.048 hours/ns 29.224 steps/s 2023-02-20 04:40:08,210 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 60.443 -33368 6624.6 -39992 -39992 9.7785 6.3673 -0.37534 5.7972e+05 2023-02-20 04:40:10,114 INFO [main.py:643]
{rank 0/100} MD step = 338500 step time: 00:00:00.017936 Performance: 505.004 ns/day 0.048 hours/ns 29.225 steps/s 2023-02-20 04:40:11,274 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 60.58 -33485 6639.6 -40125 -40125 9.7832 6.3694 -0.37469 5.7985e+05 2023-02-20 04:40:13,228 INFO [main.py:643]
{rank 0/100} MD step = 338600 step time: 00:00:00.018251 Performance: 505.017 ns/day 0.048 hours/ns 29.226 steps/s 2023-02-20 04:40:14,392 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 59.341 -33717 6503.8 -40221 -40221 9.7861 6.3694 -0.37535 5.7999e+05 2023-02-20 04:40:16,411 INFO [main.py:643]
{rank 0/100} MD step = 338700 step time: 00:00:00.020805 Performance: 505.028 ns/day 0.048 hours/ns 29.226 steps/s 2023-02-20 04:40:17,757 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 338700 67740 59.892 -33557 6564.3 -40122 -40122 9.7906 6.3702 -0.37362 5.8017e+05 2023-02-20 04:40:19,625 INFO [main.py:643]
{rank 0/100} MD step = 338800 step time: 00:00:00.018204 Performance: 505.037 ns/day 0.048 hours/ns 29.227 steps/s 2023-02-20 04:40:20,948 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 60.587 -33531 6640.4 -40172 -40172 9.7931 6.3715 -0.37261 5.8033e+05 2023-02-20 04:40:22,780 INFO [main.py:643]
{rank 0/100} MD step = 338900 step time: 00:00:00.018206 Performance: 505.048 ns/day 0.048 hours/ns 29.227 steps/s 2023-02-20 04:40:23,980 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 338900 67780 60.05 -33509 6581.6 -40090 -40090 9.7972 6.3717 -0.37257 5.8055e+05 2023-02-20 04:40:25,871 INFO [main.py:643]
{rank 0/100} MD step = 339000 step time: 00:00:00.018240 Performance: 505.063 ns/day 0.048 hours/ns 29.228 steps/s 2023-02-20 04:40:27,156 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 59.821 -33498 6556.5 -40054 -40054 9.8 6.3727 -0.37313 5.807e+05 2023-02-20 04:40:29,145 INFO [main.py:643]
{rank 0/100} MD step = 339100 step time: 00:00:00.018207 Performance: 505.069 ns/day 0.048 hours/ns 29.229 steps/s 2023-02-20 04:40:30,462 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 59.613 -33582 6533.6 -40115 -40115 9.8048 6.3731 -0.3733 5.809e+05 2023-02-20 04:40:32,272 INFO [main.py:643]
{rank 0/100} MD step = 339200 step time: 00:00:00.018057 Performance: 505.082 ns/day 0.048 hours/ns 29.229 steps/s 2023-02-20 04:40:33,480 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 60.642 -33460 6646.4 -40106 -40106 9.8097 6.3752 -0.37092 5.8107e+05 2023-02-20 04:40:35,396 INFO [main.py:643]
{rank 0/100} MD step = 339300 step time: 00:00:00.018231 Performance: 505.095 ns/day 0.048 hours/ns 29.230 steps/s 2023-02-20 04:40:36,601 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 59.67 -33615 6539.9 -40154 -40154 9.8122 6.3765 -0.37244 5.8125e+05 2023-02-20 04:40:38,576 INFO [main.py:643]
{rank 0/100} MD step = 339400 step time: 00:00:00.017984 Performance: 505.106 ns/day 0.048 hours/ns 29.231 steps/s 2023-02-20 04:40:39,834 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 60.036 -33505 6580 -40085 -40085 9.8158 6.3773 -0.37125 5.8141e+05 2023-02-20 04:40:41,741 INFO [main.py:643]
{rank 0/100} MD step = 339500 step time: 00:00:00.018200 Performance: 505.117 ns/day 0.048 hours/ns 29.231 steps/s 2023-02-20 04:40:43,035 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 339500 67900 60.492 -33552 6630 -40182 -40182 9.8194 6.3784 -0.37065 5.8156e+05 2023-02-20 04:40:44,993 INFO [main.py:643]
{rank 0/100} MD step = 339600 step time: 00:00:00.018117 Performance: 505.124 ns/day 0.048 hours/ns 29.232 steps/s 2023-02-20 04:40:46,411 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 59.713 -33525 6544.6 -40070 -40070 9.8236 6.38 -0.37246 5.8177e+05 2023-02-20 04:40:48,281 INFO [main.py:643]
{rank 0/100} MD step = 339700 step time: 00:00:00.018265 Performance: 505.130 ns/day 0.048 hours/ns 29.232 steps/s 2023-02-20 04:40:49,621 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 59.765 -33517 6550.3 -40067 -40067 9.8279 6.3812 -0.37207 5.8195e+05 2023-02-20 04:40:51,453 INFO [main.py:643]
{rank 0/100} MD step = 339800 step time: 00:00:00.017914 Performance: 505.141 ns/day 0.048 hours/ns 29.233 steps/s 2023-02-20 04:40:52,641 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 339800 67960 60.308 -33439 6609.8 -40049 -40049 9.8313 6.3821 -0.37274 5.8214e+05 2023-02-20 04:40:54,524 INFO [main.py:643]
{rank 0/100} MD step = 339900 step time: 00:00:00.018106 Performance: 505.156 ns/day 0.048 hours/ns 29.234 steps/s 2023-02-20 04:40:55,907 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 60.74 -33454 6657.2 -40112 -40112 9.8361 6.3838 -0.37257 5.8228e+05 2023-02-20 04:40:57,805 INFO [main.py:643]
{rank 0/100} MD step = 340000 step time: 00:00:00.018099 Performance: 505.162 ns/day 0.048 hours/ns 29.234 steps/s 2023-02-20 04:40:59,144 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 59.6 -33620 6532.2 -40152 -40152 9.8403 6.3854 -0.37249 5.8247e+05 2023-02-20 04:41:00,964 INFO [main.py:643]
{rank 0/100} MD step = 340100 step time: 00:00:00.018184 Performance: 505.173 ns/day 0.048 hours/ns 29.235 steps/s 2023-02-20 04:41:02,515 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 59.173 -33646 6485.4 -40131 -40131 9.8436 6.3894 -0.37141 5.8265e+05 2023-02-20 04:41:04,385 INFO [main.py:643]
{rank 0/100} MD step = 340200 step time: 00:00:00.018238 Performance: 505.173 ns/day 0.048 hours/ns 29.235 steps/s 2023-02-20 04:41:05,244 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 60.492 -33488 6630 -40118 -40118 9.8483 6.3922 -0.37137 5.8282e+05 2023-02-20 04:41:07,872 INFO [main.py:643]
{rank 0/100} MD step = 340300 step time: 00:00:00.018098 Performance: 505.170 ns/day 0.048 hours/ns 29.234 steps/s 2023-02-20 04:41:09,364 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 340300 68060 60.5 -33504 6630.9 -40135 -40135 9.8519 6.3916 -0.37037 5.8299e+05 2023-02-20 04:41:11,238 INFO [main.py:643]
{rank 0/100} MD step = 340400 step time: 00:00:00.017988 Performance: 505.173 ns/day 0.048 hours/ns 29.235 steps/s 2023-02-20 04:41:13,323 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 340400 68080 59.926 -33601 6567.9 -40169 -40169 9.8564 6.3929 -0.36904 5.8315e+05 2023-02-20 04:41:15,532 INFO [main.py:643]
{rank 0/100} MD step = 340500 step time: 00:00:00.018095 Performance: 505.135 ns/day 0.048 hours/ns 29.232 steps/s 2023-02-20 04:41:16,937 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 59.839 -33639 6558.5 -40197 -40197 9.8603 6.3942 -0.36864 5.8333e+05 2023-02-20 04:41:18,843 INFO [main.py:643]
{rank 0/100} MD step = 340600 step time: 00:00:00.017998 Performance: 505.140 ns/day 0.048 hours/ns 29.233 steps/s 2023-02-20 04:41:19,961 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 60.108 -33461 6587.9 -40049 -40049 9.8635 6.3942 -0.36865 5.835e+05 2023-02-20 04:41:21,978 INFO [main.py:643]
{rank 0/100} MD step = 340700 step time: 00:00:00.018321 Performance: 505.152 ns/day 0.048 hours/ns 29.233 steps/s 2023-02-20 04:41:23,846 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 60.896 -33466 6674.3 -40140 -40140 9.8684 6.3967 -0.36846 5.8363e+05 2023-02-20 04:41:25,902 INFO [main.py:643]
{rank 0/100} MD step = 340800 step time: 00:00:00.018192 Performance: 505.130 ns/day 0.048 hours/ns 29.232 steps/s 2023-02-20 04:41:28,492 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 59.637 -33666 6536.3 -40202 -40202 9.8716 6.3979 -0.36817 5.838e+05 2023-02-20 04:41:30,339 INFO [main.py:643]
{rank 0/100} MD step = 340900 step time: 00:00:00.020726 Performance: 505.086 ns/day 0.048 hours/ns 29.230 steps/s 2023-02-20 04:41:31,822 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 340900 68180 60.93 -33323 6678 -40001 -40001 9.8735 6.4003 -0.36972 5.8399e+05 2023-02-20 04:41:33,669 INFO [main.py:643]
{rank 0/100} MD step = 341000 step time: 00:00:00.018003 Performance: 505.090 ns/day 0.048 hours/ns 29.230 steps/s 2023-02-20 04:41:35,043 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 59.804 -33552 6554.6 -40106 -40106 9.8767 6.4027 -0.36894 5.8417e+05 2023-02-20 04:41:36,901 INFO [main.py:643]
{rank 0/100} MD step = 341100 step time: 00:00:00.018030 Performance: 505.098 ns/day 0.048 hours/ns 29.230 steps/s 2023-02-20 04:41:38,202 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 60.614 -33537 6643.4 -40180 -40180 9.8792 6.4023 -0.36914 5.8431e+05 2023-02-20 04:41:40,075 INFO [main.py:643]
{rank 0/100} MD step = 341200 step time: 00:00:00.018459 Performance: 505.109 ns/day 0.048 hours/ns 29.231 steps/s 2023-02-20 04:41:41,480 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 60.18 -33463 6595.8 -40059 -40059 9.8841 6.4023 -0.37074 5.8451e+05 2023-02-20 04:41:43,434 INFO [main.py:643]
{rank 0/100} MD step = 341300 step time: 00:00:00.018039 Performance: 505.112 ns/day 0.048 hours/ns 29.231 steps/s 2023-02-20 04:41:44,850 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 60.016 -33599 6577.8 -40177 -40177 9.8882 6.404 -0.36971 5.8465e+05 2023-02-20 04:41:46,777 INFO [main.py:643]
{rank 0/100} MD step = 341400 step time: 00:00:00.018234 Performance: 505.115 ns/day 0.048 hours/ns 29.231 steps/s 2023-02-20 04:41:48,372 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 59.983 -33622 6574.2 -40196 -40196 9.8932 6.4076 -0.37061 5.8484e+05 2023-02-20 04:41:50,207 INFO [main.py:643]
{rank 0/100} MD step = 341500 step time: 00:00:00.018103 Performance: 505.115 ns/day 0.048 hours/ns 29.231 steps/s 2023-02-20 04:41:51,798 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 341500 68300 59.614 -33553 6533.8 -40086 -40086 9.8959 6.4093 -0.37252 5.8503e+05 2023-02-20 04:41:53,722 INFO [main.py:643]
{rank 0/100} MD step = 341600 step time: 00:00:00.018072 Performance: 505.111 ns/day 0.048 hours/ns 29.231 steps/s 2023-02-20 04:41:55,604 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 59.095 -33709 6476.9 -40186 -40186 9.9002 6.4112 -0.37056 5.8521e+05 2023-02-20 04:41:57,432 INFO [main.py:643]
{rank 0/100} MD step = 341700 step time: 00:00:00.018121 Performance: 505.098 ns/day 0.048 hours/ns 29.230 steps/s 2023-02-20 04:41:58,737 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 60.096 -33510 6586.6 -40096 -40096 9.9048 6.4126 -0.37044 5.8538e+05 2023-02-20 04:42:00,659 INFO [main.py:643]
{rank 0/100} MD step = 341800 step time: 00:00:00.018203 Performance: 505.106 ns/day 0.048 hours/ns 29.231 steps/s 2023-02-20 04:42:01,983 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 60.486 -33461 6629.4 -40090 -40090 9.9074 6.4136 -0.37153 5.8553e+05 2023-02-20 04:42:03,810 INFO [main.py:643]
{rank 0/100} MD step = 341900 step time: 00:00:00.018189 Performance: 505.118 ns/day 0.048 hours/ns 29.231 steps/s 2023-02-20 04:42:04,992 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 59.672 -33561 6540.1 -40101 -40101 9.9101 6.415 -0.37091 5.8572e+05 2023-02-20 04:42:07,049 INFO [main.py:643]
{rank 0/100} MD step = 342000 step time: 00:00:00.018187 Performance: 505.126 ns/day 0.048 hours/ns 29.232 steps/s 2023-02-20 04:42:08,327 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 59.898 -33589 6564.9 -40154 -40154 9.9122 6.4157 -0.37139 5.8589e+05 2023-02-20 04:42:10,342 INFO [main.py:643]
{rank 0/100} MD step = 342100 step time: 00:00:00.018306 Performance: 505.132 ns/day 0.048 hours/ns 29.232 steps/s 2023-02-20 04:42:11,865 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 60.813 -33463 6665.2 -40128 -40128 9.9158 6.4182 -0.37313 5.8605e+05 2023-02-20 04:42:13,778 INFO [main.py:643]
{rank 0/100} MD step = 342200 step time: 00:00:00.018137 Performance: 505.131 ns/day 0.048 hours/ns 29.232 steps/s 2023-02-20 04:42:15,003 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 60.743 -33476 6657.5 -40134 -40134 9.9186 6.4186 -0.37472 5.862e+05 2023-02-20 04:42:17,022 INFO [main.py:643]
{rank 0/100} MD step = 342300 step time: 00:00:00.018038 Performance: 505.139 ns/day 0.048 hours/ns 29.233 steps/s 2023-02-20 04:42:18,329 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 60.366 -33580 6616.1 -40196 -40196 9.9222 6.4202 -0.37492 5.8637e+05 2023-02-20 04:42:20,142 INFO [main.py:643]
{rank 0/100} MD step = 342400 step time: 00:00:00.018113 Performance: 505.151 ns/day 0.048 hours/ns 29.233 steps/s 2023-02-20 04:42:21,381 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 59.464 -33604 6517.4 -40122 -40122 9.9269 6.423 -0.37502 5.8654e+05 2023-02-20 04:42:23,300 INFO [main.py:643]
{rank 0/100} MD step = 342500 step time: 00:00:00.018583 Performance: 505.163 ns/day 0.048 hours/ns 29.234 steps/s 2023-02-20 04:42:24,699 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 60.071 -33487 6583.8 -40070 -40070 9.9315 6.4247 -0.37461 5.8673e+05 2023-02-20 04:42:26,527 INFO [main.py:643]
{rank 0/100} MD step = 342600 step time: 00:00:00.018157 Performance: 505.171 ns/day 0.048 hours/ns 29.234 steps/s 2023-02-20 04:42:27,811 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 59.347 -33641 6504.5 -40145 -40145 9.9344 6.4259 -0.37275 5.8692e+05 2023-02-20 04:42:29,643 INFO [main.py:643]
{rank 0/100} MD step = 342700 step time: 00:00:00.017990 Performance: 505.184 ns/day 0.048 hours/ns 29.235 steps/s 2023-02-20 04:42:30,441 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 60.005 -33550 6576.6 -40127 -40127 9.937 6.4253 -0.37173 5.8708e+05 2023-02-20 04:42:32,765 INFO [main.py:643]
{rank 0/100} MD step = 342800 step time: 00:00:00.018025 Performance: 505.197 ns/day 0.048 hours/ns 29.236 steps/s 2023-02-20 04:42:34,019 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 60.517 -33469 6632.7 -40102 -40102 9.941 6.4292 -0.37294 5.8724e+05 2023-02-20 04:42:35,893 INFO [main.py:643]
{rank 0/100} MD step = 342900 step time: 00:00:00.018067 Performance: 505.210 ns/day 0.048 hours/ns 29.237 steps/s 2023-02-20 04:42:37,225 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 60.124 -33613 6589.6 -40202 -40202 9.9472 6.4288 -0.37394 5.8738e+05 2023-02-20 04:42:39,047 INFO [main.py:643]
{rank 0/100} MD step = 343000 step time: 00:00:00.018105 Performance: 505.221 ns/day 0.048 hours/ns 29.237 steps/s 2023-02-20 04:42:40,232 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 59.179 -33670 6486 -40156 -40156 9.9515 6.4295 -0.37138 5.8756e+05 2023-02-20 04:42:42,197 INFO [main.py:643]
{rank 0/100} MD step = 343100 step time: 00:00:00.018276 Performance: 505.233 ns/day 0.048 hours/ns 29.238 steps/s 2023-02-20 04:42:43,505 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 343100 68620 60.243 -33659 6602.7 -40262 -40262 9.956 6.4312 -0.37113 5.8773e+05 2023-02-20 04:42:45,424 INFO [main.py:643]
{rank 0/100} MD step = 343200 step time: 00:00:00.018278 Performance: 505.241 ns/day 0.048 hours/ns 29.238 steps/s 2023-02-20 04:42:46,673 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 60.657 -33522 6648.1 -40170 -40170 9.9597 6.4333 -0.37034 5.879e+05 2023-02-20 04:42:48,626 INFO [main.py:643]
{rank 0/100} MD step = 343300 step time: 00:00:00.018272 Performance: 505.251 ns/day 0.048 hours/ns 29.239 steps/s 2023-02-20 04:42:49,899 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 59.054 -33575 6472.4 -40047 -40047 9.9653 6.4347 -0.37012 5.8809e+05 2023-02-20 04:42:51,861 INFO [main.py:643]
{rank 0/100} MD step = 343400 step time: 00:00:00.018022 Performance: 505.259 ns/day 0.048 hours/ns 29.239 steps/s 2023-02-20 04:42:53,112 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 59.023 -33638 6469 -40107 -40107 9.9697 6.4335 -0.36981 5.8823e+05 2023-02-20 04:42:55,027 INFO [main.py:643]
{rank 0/100} MD step = 343500 step time: 00:00:00.018233 Performance: 505.269 ns/day 0.047 hours/ns 29.240 steps/s 2023-02-20 04:42:56,359 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 60.044 -33614 6580.9 -40195 -40195 9.9732 6.4355 -0.37097 5.8839e+05 2023-02-20 04:42:58,274 INFO [main.py:643]
{rank 0/100} MD step = 343600 step time: 00:00:00.018271 Performance: 505.277 ns/day 0.047 hours/ns 29.241 steps/s 2023-02-20 04:42:59,481 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 59.22 -33726 6490.6 -40217 -40217 9.9755 6.4389 -0.37139 5.8858e+05 2023-02-20 04:43:01,381 INFO [main.py:643]
{rank 0/100} MD step = 343700 step time: 00:00:00.018188 Performance: 505.290 ns/day 0.047 hours/ns 29.241 steps/s 2023-02-20 04:43:02,691 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 59.229 -33503 6491.5 -39994 -39994 9.9785 6.4421 -0.3728 5.8877e+05 2023-02-20 04:43:04,603 INFO [main.py:643]
{rank 0/100} MD step = 343800 step time: 00:00:00.018243 Performance: 505.299 ns/day 0.047 hours/ns 29.242 steps/s 2023-02-20 04:43:06,011 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 59.033 -33587 6470.1 -40057 -40057 9.9827 6.444 -0.37309 5.8893e+05 2023-02-20 04:43:07,914 INFO [main.py:643]
{rank 0/100} MD step = 343900 step time: 00:00:00.024390 Performance: 505.304 ns/day 0.047 hours/ns 29.242 steps/s 2023-02-20 04:43:09,267 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 59.561 -33505 6528 -40033 -40033 9.9867 6.4458 -0.37474 5.8911e+05 2023-02-20 04:43:11,099 INFO [main.py:643]
{rank 0/100} MD step = 344000 step time: 00:00:00.018257 Performance: 505.314 ns/day 0.047 hours/ns 29.243 steps/s 2023-02-20 04:43:12,605 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 59.987 -33603 6574.7 -40177 -40177 9.9914 6.4467 -0.37448 5.8927e+05 2023-02-20 04:43:14,507 INFO [main.py:643]
{rank 0/100} MD step = 344100 step time: 00:00:00.018103 Performance: 505.314 ns/day 0.047 hours/ns 29.243 steps/s 2023-02-20 04:43:16,095 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 59.704 -33667 6543.7 -40211 -40211 9.9955 6.4479 -0.37461 5.8945e+05 2023-02-20 04:43:17,937 INFO [main.py:643]
{rank 0/100} MD step = 344200 step time: 00:00:00.020871 Performance: 505.314 ns/day 0.047 hours/ns 29.243 steps/s 2023-02-20 04:43:19,262 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 344200 68840 59.561 -33638 6527.9 -40166 -40166 10.002 6.4482 -0.37486 5.8961e+05 2023-02-20 04:43:21,097 INFO [main.py:643]
{rank 0/100} MD step = 344300 step time: 00:00:00.018355 Performance: 505.325 ns/day 0.047 hours/ns 29.243 steps/s 2023-02-20 04:43:22,343 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 59.716 -33578 6545 -40123 -40123 10.004 6.4499 -0.37535 5.898e+05 2023-02-20 04:43:24,263 INFO [main.py:643]
{rank 0/100} MD step = 344400 step time: 00:00:00.018240 Performance: 505.336 ns/day 0.047 hours/ns 29.244 steps/s 2023-02-20 04:43:25,887 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 59.493 -33374 6520.6 -39894 -39894 10.01 6.452 -0.37535 5.8999e+05 2023-02-20 04:43:27,885 INFO [main.py:643]
{rank 0/100} MD step = 344500 step time: 00:00:00.018440 Performance: 505.327 ns/day 0.047 hours/ns 29.243 steps/s 2023-02-20 04:43:29,160 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 60.278 -33538 6606.6 -40144 -40144 10.017 6.4526 -0.37287 5.9011e+05 2023-02-20 04:43:30,987 INFO [main.py:643]
{rank 0/100} MD step = 344600 step time: 00:00:00.018202 Performance: 505.341 ns/day 0.047 hours/ns 29.244 steps/s 2023-02-20 04:43:32,261 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 59.41 -33522 6511.4 -40033 -40033 10.022 6.4562 -0.37196 5.903e+05 2023-02-20 04:43:34,117 INFO [main.py:643]
{rank 0/100} MD step = 344700 step time: 00:00:00.018664 Performance: 505.353 ns/day 0.047 hours/ns 29.245 steps/s 2023-02-20 04:43:34,901 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 59.811 -33553 6555.4 -40109 -40109 10.028 6.4575 -0.37191 5.9046e+05 2023-02-20 04:43:37,225 INFO [main.py:643]
{rank 0/100} MD step = 344800 step time: 00:00:00.018012 Performance: 505.366 ns/day 0.047 hours/ns 29.246 steps/s 2023-02-20 04:43:38,604 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 60.025 -33431 6578.9 -40010 -40010 10.03 6.4599 -0.37194 5.9065e+05 2023-02-20 04:43:40,445 INFO [main.py:643]
{rank 0/100} MD step = 344900 step time: 00:00:00.018421 Performance: 505.375 ns/day 0.047 hours/ns 29.246 steps/s 2023-02-20 04:43:41,687 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 59.874 -33635 6562.2 -40197 -40197 10.035 6.4617 -0.37256 5.9082e+05 2023-02-20 04:43:43,616 INFO [main.py:643]
{rank 0/100} MD step = 345000 step time: 00:00:00.017981 Performance: 505.386 ns/day 0.047 hours/ns 29.247 steps/s 2023-02-20 04:43:44,960 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 345000 69000 60.198 -33557 6597.8 -40155 -40155 10.041 6.4645 -0.37217 5.9098e+05 2023-02-20 04:43:46,886 INFO [main.py:643]
{rank 0/100} MD step = 345100 step time: 00:00:00.018642 Performance: 505.392 ns/day 0.047 hours/ns 29.247 steps/s 2023-02-20 04:43:48,048 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 59.641 -33606 6536.7 -40142 -40142 10.044 6.4653 -0.37123 5.9113e+05 2023-02-20 04:43:49,993 INFO [main.py:643]
{rank 0/100} MD step = 345200 step time: 00:00:00.017884 Performance: 505.405 ns/day 0.047 hours/ns 29.248 steps/s 2023-02-20 04:43:51,248 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 59.7 -33569 6543.1 -40113 -40113 10.05 6.4691 -0.37164 5.913e+05 2023-02-20 04:43:53,060 INFO [main.py:643]
{rank 0/100} MD step = 345300 step time: 00:00:00.018207 Performance: 505.420 ns/day 0.047 hours/ns 29.249 steps/s 2023-02-20 04:43:54,286 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 60.019 -33579 6578.2 -40157 -40157 10.056 6.4706 -0.37082 5.915e+05 2023-02-20 04:43:56,193 INFO [main.py:643]
{rank 0/100} MD step = 345400 step time: 00:00:00.018372 Performance: 505.433 ns/day 0.047 hours/ns 29.250 steps/s 2023-02-20 04:43:57,489 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 60.338 -33573 6613.1 -40186 -40186 10.064 6.4718 -0.37102 5.9167e+05 2023-02-20 04:43:59,319 INFO [main.py:643]
{rank 0/100} MD step = 345500 step time: 00:00:00.018023 Performance: 505.445 ns/day 0.047 hours/ns 29.250 steps/s 2023-02-20 04:44:00,474 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 59.621 -33525 6534.5 -40059 -40059 10.068 6.4719 -0.37068 5.9187e+05 2023-02-20 04:44:02,413 INFO [main.py:643]
{rank 0/100} MD step = 345600 step time: 00:00:00.018059 Performance: 505.459 ns/day 0.047 hours/ns 29.251 steps/s 2023-02-20 04:44:03,643 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 60.377 -33667 6617.4 -40284 -40284 10.075 6.4734 -0.37044 5.9201e+05 2023-02-20 04:44:05,554 INFO [main.py:643]
{rank 0/100} MD step = 345700 step time: 00:00:00.018007 Performance: 505.471 ns/day 0.047 hours/ns 29.252 steps/s 2023-02-20 04:44:06,876 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 60.676 -33468 6650.2 -40119 -40119 10.079 6.4737 -0.37202 5.922e+05 2023-02-20 04:44:08,707 INFO [main.py:643]
{rank 0/100} MD step = 345800 step time: 00:00:00.018365 Performance: 505.482 ns/day 0.047 hours/ns 29.252 steps/s 2023-02-20 04:44:09,928 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 59.51 -33646 6522.4 -40169 -40169 10.087 6.4754 -0.37187 5.9235e+05 2023-02-20 04:44:11,834 INFO [main.py:643]
{rank 0/100} MD step = 345900 step time: 00:00:00.018417 Performance: 505.495 ns/day 0.047 hours/ns 29.253 steps/s 2023-02-20 04:44:13,107 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 59.533 -33481 6524.9 -40006 -40006 10.091 6.4765 -0.37012 5.9253e+05 2023-02-20 04:44:14,914 INFO [main.py:643]
{rank 0/100} MD step = 346000 step time: 00:00:00.018516 Performance: 505.509 ns/day 0.047 hours/ns 29.254 steps/s 2023-02-20 04:44:16,251 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 60.737 -33527 6656.9 -40184 -40184 10.094 6.4793 -0.36968 5.9268e+05 2023-02-20 04:44:18,075 INFO [main.py:643]
{rank 0/100} MD step = 346100 step time: 00:00:00.018088 Performance: 505.520 ns/day 0.047 hours/ns 29.255 steps/s 2023-02-20 04:44:18,876 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 60.587 -33513 6640.4 -40154 -40154 10.099 6.4823 -0.3693 5.9286e+05 2023-02-20 04:44:21,206 INFO [main.py:643]
{rank 0/100} MD step = 346200 step time: 00:00:00.018018 Performance: 505.532 ns/day 0.047 hours/ns 29.255 steps/s 2023-02-20 04:44:22,399 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 346200 69240 59.55 -33611 6526.7 -40137 -40137 10.103 6.4836 -0.37083 5.9304e+05 2023-02-20 04:44:24,417 INFO [main.py:643]
{rank 0/100} MD step = 346300 step time: 00:00:00.022393 Performance: 505.541 ns/day 0.047 hours/ns 29.256 steps/s 2023-02-20 04:44:25,807 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 60.283 -33444 6607.1 -40051 -40051 10.107 6.4869 -0.37272 5.9325e+05 2023-02-20 04:44:27,615 INFO [main.py:643]
{rank 0/100} MD step = 346400 step time: 00:00:00.018283 Performance: 505.551 ns/day 0.047 hours/ns 29.256 steps/s 2023-02-20 04:44:28,499 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 346400 69280 60.465 -33369 6627 -39996 -39996 10.112 6.4886 -0.37206 5.9341e+05 2023-02-20 04:44:30,888 INFO [main.py:643]
{rank 0/100} MD step = 346500 step time: 00:00:00.018188 Performance: 505.557 ns/day 0.047 hours/ns 29.257 steps/s 2023-02-20 04:44:32,292 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 60.165 -33482 6594.2 -40076 -40076 10.117 6.4902 -0.37212 5.9363e+05 2023-02-20 04:44:34,136 INFO [main.py:643]
{rank 0/100} MD step = 346600 step time: 00:00:00.018200 Performance: 505.564 ns/day 0.047 hours/ns 29.257 steps/s 2023-02-20 04:44:35,356 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 60.32 -33461 6611.2 -40072 -40072 10.122 6.4909 -0.37262 5.9379e+05 2023-02-20 04:44:37,245 INFO [main.py:643]
{rank 0/100} MD step = 346700 step time: 00:00:00.017969 Performance: 505.577 ns/day 0.047 hours/ns 29.258 steps/s 2023-02-20 04:44:38,432 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 60.385 -33531 6618.3 -40150 -40150 10.129 6.4921 -0.37274 5.9397e+05 2023-02-20 04:44:40,352 INFO [main.py:643]
{rank 0/100} MD step = 346800 step time: 00:00:00.017924 Performance: 505.591 ns/day 0.047 hours/ns 29.259 steps/s 2023-02-20 04:44:41,533 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 59.216 -33629 6490.2 -40119 -40119 10.134 6.4942 -0.37238 5.9412e+05 2023-02-20 04:44:43,453 INFO [main.py:643]
{rank 0/100} MD step = 346900 step time: 00:00:00.018296 Performance: 505.604 ns/day 0.047 hours/ns 29.259 steps/s 2023-02-20 04:44:44,738 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 59.463 -33453 6517.2 -39971 -39971 10.141 6.4964 -0.37343 5.9434e+05 2023-02-20 04:44:46,576 INFO [main.py:643]
{rank 0/100} MD step = 347000 step time: 00:00:00.018402 Performance: 505.617 ns/day 0.047 hours/ns 29.260 steps/s 2023-02-20 04:44:48,591 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 60.419 -33484 6622 -40106 -40106 10.144 6.4985 -0.37363 5.9449e+05 2023-02-20 04:44:50,435 INFO [main.py:643]
{rank 0/100} MD step = 347100 step time: 00:00:00.018091 Performance: 505.598 ns/day 0.047 hours/ns 29.259 steps/s 2023-02-20 04:44:55,456 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 59.6 -33619 6532.2 -40151 -40151 10.15 6.5006 -0.37405 5.9463e+05 2023-02-20 04:44:57,478 INFO [main.py:643]
{rank 0/100} MD step = 347200 step time: 00:00:00.018158 Performance: 505.443 ns/day 0.047 hours/ns 29.250 steps/s 2023-02-20 04:44:58,664 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 59.6 -33634 6532.3 -40166 -40166 10.151 6.5023 -0.37396 5.9482e+05 2023-02-20 04:45:00,589 INFO [main.py:643]
{rank 0/100} MD step = 347300 step time: 00:00:00.018413 Performance: 505.457 ns/day 0.047 hours/ns 29.251 steps/s 2023-02-20 04:45:01,841 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 60.604 -33465 6642.3 -40107 -40107 10.155 6.5032 -0.37657 5.9498e+05 2023-02-20 04:45:03,681 INFO [main.py:643]
{rank 0/100} MD step = 347400 step time: 00:00:00.018175 Performance: 505.470 ns/day 0.047 hours/ns 29.252 steps/s 2023-02-20 04:45:05,594 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 60.508 -33451 6631.8 -40083 -40083 10.159 6.5053 -0.37516 5.9516e+05 2023-02-20 04:45:07,507 INFO [main.py:643]
{rank 0/100} MD step = 347500 step time: 00:00:00.018160 Performance: 505.453 ns/day 0.047 hours/ns 29.251 steps/s 2023-02-20 04:45:08,573 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 347500 69500 60.61 -33406 6642.9 -40049 -40049 10.163 6.5073 -0.37648 5.9533e+05 2023-02-20 04:45:10,857 INFO [main.py:643]
{rank 0/100} MD step = 347600 step time: 00:00:00.023398 Performance: 505.456 ns/day 0.047 hours/ns 29.251 steps/s 2023-02-20 04:45:12,126 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 58.702 -33710 6433.8 -40144 -40144 10.167 6.5109 -0.37541 5.955e+05 2023-02-20 04:45:14,103 INFO [main.py:643]
{rank 0/100} MD step = 347700 step time: 00:00:00.018646 Performance: 505.463 ns/day 0.047 hours/ns 29.251 steps/s 2023-02-20 04:45:15,409 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 347700 69540 59.837 -33508 6558.2 -40066 -40066 10.17 6.5114 -0.37419 5.9565e+05 2023-02-20 04:45:17,361 INFO [main.py:643]
{rank 0/100} MD step = 347800 step time: 00:00:00.018204 Performance: 505.470 ns/day 0.047 hours/ns 29.252 steps/s 2023-02-20 04:45:18,527 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 58.723 -33703 6436.1 -40139 -40139 10.175 6.5121 -0.3736 5.9582e+05 2023-02-20 04:45:20,518 INFO [main.py:643]
{rank 0/100} MD step = 347900 step time: 00:00:00.018544 Performance: 505.481 ns/day 0.047 hours/ns 29.252 steps/s 2023-02-20 04:45:21,723 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 60.952 -33466 6680.4 -40146 -40146 10.179 6.5123 -0.37229 5.9601e+05 2023-02-20 04:45:23,657 INFO [main.py:643]
{rank 0/100} MD step = 348000 step time: 00:00:00.018335 Performance: 505.493 ns/day 0.047 hours/ns 29.253 steps/s 2023-02-20 04:45:24,860 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 59.875 -33476 6562.4 -40038 -40038 10.184 6.5133 -0.37191 5.9617e+05 2023-02-20 04:45:26,866 INFO [main.py:643]
{rank 0/100} MD step = 348100 step time: 00:00:00.024025 Performance: 505.502 ns/day 0.047 hours/ns 29.254 steps/s 2023-02-20 04:45:28,054 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 59.49 -33617 6520.1 -40137 -40137 10.186 6.5158 -0.37062 5.9634e+05 2023-02-20 04:45:30,145 INFO [main.py:643]
{rank 0/100} MD step = 348200 step time: 00:00:00.018539 Performance: 505.508 ns/day 0.047 hours/ns 29.254 steps/s 2023-02-20 04:45:31,410 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 60.469 -33409 6627.5 -40036 -40036 10.19 6.5155 -0.37295 5.9653e+05 2023-02-20 04:45:33,391 INFO [main.py:643]
{rank 0/100} MD step = 348300 step time: 00:00:00.020037 Performance: 505.515 ns/day 0.047 hours/ns 29.254 steps/s 2023-02-20 04:45:34,702 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 59.25 -33765 6493.9 -40259 -40259 10.196 6.5162 -0.37313 5.9668e+05 2023-02-20 04:45:36,646 INFO [main.py:643]
{rank 0/100} MD step = 348400 step time: 00:00:00.020019 Performance: 505.522 ns/day 0.047 hours/ns 29.255 steps/s 2023-02-20 04:45:37,980 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 60.116 -33719 6588.8 -40307 -40307 10.2 6.5177 -0.37271 5.9687e+05 2023-02-20 04:45:39,921 INFO [main.py:643]
{rank 0/100} MD step = 348500 step time: 00:00:00.018367 Performance: 505.528 ns/day 0.047 hours/ns 29.255 steps/s 2023-02-20 04:45:41,310 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 60.793 -33462 6663 -40125 -40125 10.207 6.5196 -0.37185 5.9709e+05 2023-02-20 04:45:43,246 INFO [main.py:643]
{rank 0/100} MD step = 348600 step time: 00:00:00.018108 Performance: 505.532 ns/day 0.047 hours/ns 29.255 steps/s 2023-02-20 04:45:44,491 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 348600 69720 61.068 -33476 6693.1 -40170 -40170 10.213 6.5204 -0.37091 5.9723e+05 2023-02-20 04:45:46,560 INFO [main.py:643]
{rank 0/100} MD step = 348700 step time: 00:00:00.018002 Performance: 505.537 ns/day 0.047 hours/ns 29.256 steps/s 2023-02-20 04:45:47,807 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 59.021 -33554 6468.7 -40022 -40022 10.219 6.5233 -0.37015 5.9748e+05 2023-02-20 04:45:49,834 INFO [main.py:643]
{rank 0/100} MD step = 348800 step time: 00:00:00.018611 Performance: 505.543 ns/day 0.047 hours/ns 29.256 steps/s 2023-02-20 04:45:51,020 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 58.764 -33676 6440.6 -40117 -40117 10.225 6.5234 -0.36962 5.9763e+05 2023-02-20 04:45:53,128 INFO [main.py:643]
{rank 0/100} MD step = 348900 step time: 00:00:00.018375 Performance: 505.548 ns/day 0.047 hours/ns 29.256 steps/s 2023-02-20 04:45:54,332 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 58.636 -33708 6426.6 -40135 -40135 10.23 6.5252 -0.36924 5.9781e+05 2023-02-20 04:45:56,398 INFO [main.py:643]
{rank 0/100} MD step = 349000 step time: 00:00:00.018651 Performance: 505.554 ns/day 0.047 hours/ns 29.257 steps/s 2023-02-20 04:45:57,745 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 59.35 -33687 6504.8 -40192 -40192 10.232 6.528 -0.36954 5.9796e+05 2023-02-20 04:45:59,674 INFO [main.py:643]
{rank 0/100} MD step = 349100 step time: 00:00:00.018995 Performance: 505.560 ns/day 0.047 hours/ns 29.257 steps/s 2023-02-20 04:46:00,867 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 60.288 -33539 6607.6 -40146 -40146 10.239 6.5307 -0.36838 5.9812e+05 2023-02-20 04:46:02,887 INFO [main.py:643]
{rank 0/100} MD step = 349200 step time: 00:00:00.018282 Performance: 505.569 ns/day 0.047 hours/ns 29.257 steps/s 2023-02-20 04:46:04,265 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 60.822 -33483 6666.1 -40149 -40149 10.244 6.5329 -0.36936 5.9828e+05 2023-02-20 04:46:06,200 INFO [main.py:643]
{rank 0/100} MD step = 349300 step time: 00:00:00.022806 Performance: 505.574 ns/day 0.047 hours/ns 29.258 steps/s 2023-02-20 04:46:07,537 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 59.896 -33572 6564.7 -40137 -40137 10.248 6.5359 -0.36874 5.9847e+05 2023-02-20 04:46:09,572 INFO [main.py:643]
{rank 0/100} MD step = 349400 step time: 00:00:00.018612 Performance: 505.575 ns/day 0.047 hours/ns 29.258 steps/s 2023-02-20 04:46:10,802 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 59.826 -33543 6557 -40100 -40100 10.253 6.5388 -0.36737 5.9864e+05 2023-02-20 04:46:12,790 INFO [main.py:643]
{rank 0/100} MD step = 349500 step time: 00:00:00.018639 Performance: 505.584 ns/day 0.047 hours/ns 29.258 steps/s 2023-02-20 04:46:14,055 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 60.394 -33513 6619.3 -40133 -40133 10.257 6.5405 -0.36823 5.9882e+05 2023-02-20 04:46:16,128 INFO [main.py:643]
{rank 0/100} MD step = 349600 step time: 00:00:00.020935 Performance: 505.587 ns/day 0.047 hours/ns 29.259 steps/s 2023-02-20 04:46:17,464 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 60.619 -33508 6643.9 -40152 -40152 10.262 6.5417 -0.3692 5.9898e+05 2023-02-20 04:46:19,467 INFO [main.py:643]
{rank 0/100} MD step = 349700 step time: 00:00:00.018349 Performance: 505.591 ns/day 0.047 hours/ns 29.259 steps/s 2023-02-20 04:46:20,832 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 60.56 -33473 6637.4 -40111 -40111 10.265 6.5429 -0.36827 5.9915e+05 2023-02-20 04:46:22,879 INFO [main.py:643]
{rank 0/100} MD step = 349800 step time: 00:00:00.019345 Performance: 505.591 ns/day 0.047 hours/ns 29.259 steps/s 2023-02-20 04:46:24,236 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 60.016 -33611 6577.9 -40188 -40188 10.27 6.5439 -0.36806 5.9931e+05 2023-02-20 04:46:26,262 INFO [main.py:643]
{rank 0/100} MD step = 349900 step time: 00:00:00.018506 Performance: 505.592 ns/day 0.047 hours/ns 29.259 steps/s 2023-02-20 04:46:27,592 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 60.127 -33551 6590 -40141 -40141 10.277 6.5458 -0.36934 5.9952e+05 2023-02-20 04:46:29,548 INFO [main.py:643]
{rank 0/100} MD step = 350000 step time: 00:00:00.021963 Performance: 505.598 ns/day 0.047 hours/ns 29.259 steps/s 2023-02-20 04:46:31,179 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 350000 70000 58.902 -33793 6455.7 -40249 -40249 10.28 6.5466 -0.36983 5.9964e+05 2023-02-20 04:46:33,067 INFO [main.py:643]
{rank 0/100} MD step = 350100 step time: 00:00:00.020351 Performance: 505.594 ns/day 0.047 hours/ns 29.259 steps/s 2023-02-20 04:46:34,202 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 350100 70020 61.094 -33481 6696 -40177 -40177 10.283 6.549 -0.36945 5.9984e+05 2023-02-20 04:46:36,237 INFO [main.py:643]
{rank 0/100} MD step = 350200 step time: 00:00:00.020310 Performance: 505.604 ns/day 0.047 hours/ns 29.259 steps/s 2023-02-20 04:46:37,570 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 59.922 -33371 6567.6 -39939 -39939 10.286 6.5507 -0.36975 6.0003e+05 2023-02-20 04:46:39,607 INFO [main.py:643]
{rank 0/100} MD step = 350300 step time: 00:00:00.019368 Performance: 505.606 ns/day 0.047 hours/ns 29.260 steps/s 2023-02-20 04:46:41,246 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 350300 70060 59.609 -33698 6533.2 -40231 -40231 10.291 6.5535 -0.36886 6.0017e+05 2023-02-20 04:46:43,398 INFO [main.py:643]
{rank 0/100} MD step = 350400 step time: 00:00:00.018373 Performance: 505.590 ns/day 0.047 hours/ns 29.259 steps/s 2023-02-20 04:46:45,099 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 59.42 -33613 6512.5 -40125 -40125 10.291 6.5559 -0.36874 6.0036e+05 2023-02-20 04:46:47,089 INFO [main.py:643]
{rank 0/100} MD step = 350500 step time: 00:00:00.018370 Performance: 505.579 ns/day 0.047 hours/ns 29.258 steps/s 2023-02-20 04:46:48,421 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 60.322 -33488 6611.4 -40099 -40099 10.293 6.5571 -0.36854 6.0053e+05 2023-02-20 04:46:50,429 INFO [main.py:643]
{rank 0/100} MD step = 350600 step time: 00:00:00.018639 Performance: 505.582 ns/day 0.047 hours/ns 29.258 steps/s 2023-02-20 04:46:51,743 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 59.414 -33700 6511.8 -40212 -40212 10.297 6.5584 -0.36901 6.0067e+05 2023-02-20 04:46:53,672 INFO [main.py:643]
{rank 0/100} MD step = 350700 step time: 00:00:00.018096 Performance: 505.589 ns/day 0.047 hours/ns 29.259 steps/s 2023-02-20 04:46:54,946 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 59.458 -33690 6516.7 -40207 -40207 10.302 6.5586 -0.3685 6.0086e+05 2023-02-20 04:46:56,902 INFO [main.py:643]
{rank 0/100} MD step = 350800 step time: 00:00:00.018166 Performance: 505.597 ns/day 0.047 hours/ns 29.259 steps/s 2023-02-20 04:46:58,220 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 59.336 -33611 6503.3 -40114 -40114 10.306 6.5613 -0.36905 6.0102e+05 2023-02-20 04:47:00,121 INFO [main.py:643]
{rank 0/100} MD step = 350900 step time: 00:00:00.018067 Performance: 505.606 ns/day 0.047 hours/ns 29.260 steps/s 2023-02-20 04:47:01,624 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 59.949 -33495 6570.5 -40065 -40065 10.309 6.5626 -0.36994 6.0118e+05 2023-02-20 04:47:03,524 INFO [main.py:643]
{rank 0/100} MD step = 351000 step time: 00:00:00.018089 Performance: 505.606 ns/day 0.047 hours/ns 29.260 steps/s 2023-02-20 04:47:04,821 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 59.882 -33647 6563.1 -40210 -40210 10.313 6.5622 -0.36979 6.0129e+05 2023-02-20 04:47:06,706 INFO [main.py:643]
{rank 0/100} MD step = 351100 step time: 00:00:00.018867 Performance: 505.616 ns/day 0.047 hours/ns 29.260 steps/s 2023-02-20 04:47:08,028 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 60.685 -33500 6651.1 -40151 -40151 10.318 6.5636 -0.37086 6.015e+05 2023-02-20 04:47:09,992 INFO [main.py:643]
{rank 0/100} MD step = 351200 step time: 00:00:00.017897 Performance: 505.622 ns/day 0.047 hours/ns 29.261 steps/s 2023-02-20 04:47:11,282 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 60.458 -33546 6626.3 -40173 -40173 10.323 6.5663 -0.37203 6.0168e+05 2023-02-20 04:47:13,247 INFO [main.py:643]
{rank 0/100} MD step = 351300 step time: 00:00:00.017965 Performance: 505.629 ns/day 0.047 hours/ns 29.261 steps/s 2023-02-20 04:47:15,085 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 59.79 -33554 6553 -40107 -40107 10.327 6.568 -0.37266 6.019e+05 2023-02-20 04:47:17,075 INFO [main.py:643]
{rank 0/100} MD step = 351400 step time: 00:00:00.018063 Performance: 505.611 ns/day 0.047 hours/ns 29.260 steps/s 2023-02-20 04:47:18,344 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 60.6 -33498 6641.8 -40140 -40140 10.332 6.5702 -0.37436 6.0208e+05 2023-02-20 04:47:20,350 INFO [main.py:643]
{rank 0/100} MD step = 351500 step time: 00:00:00.018070 Performance: 505.617 ns/day 0.047 hours/ns 29.260 steps/s 2023-02-20 04:47:22,097 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 60.081 -33549 6585 -40134 -40134 10.335 6.5719 -0.37509 6.0226e+05 2023-02-20 04:47:24,084 INFO [main.py:643]
{rank 0/100} MD step = 351600 step time: 00:00:00.018386 Performance: 505.604 ns/day 0.047 hours/ns 29.259 steps/s 2023-02-20 04:47:25,329 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 59.742 -33598 6547.8 -40146 -40146 10.34 6.5742 -0.37638 6.0242e+05 2023-02-20 04:47:27,312 INFO [main.py:643]
{rank 0/100} MD step = 351700 step time: 00:00:00.019033 Performance: 505.612 ns/day 0.047 hours/ns 29.260 steps/s 2023-02-20 04:47:28,689 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 59.863 -33671 6561.1 -40232 -40232 10.342 6.5752 -0.37642 6.0254e+05 2023-02-20 04:47:30,603 INFO [main.py:643]
{rank 0/100} MD step = 351800 step time: 00:00:00.019588 Performance: 505.617 ns/day 0.047 hours/ns 29.260 steps/s 2023-02-20 04:47:31,916 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 60.838 -33463 6667.9 -40130 -40130 10.345 6.5754 -0.37761 6.0274e+05 2023-02-20 04:47:33,826 INFO [main.py:643]
{rank 0/100} MD step = 351900 step time: 00:00:00.018313 Performance: 505.626 ns/day 0.047 hours/ns 29.261 steps/s 2023-02-20 04:47:35,181 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 59.295 -33573 6498.8 -40072 -40072 10.348 6.5775 -0.37829 6.0293e+05 2023-02-20 04:47:37,131 INFO [main.py:643]
{rank 0/100} MD step = 352000 step time: 00:00:00.018324 Performance: 505.630 ns/day 0.047 hours/ns 29.261 steps/s 2023-02-20 04:47:38,410 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 61.227 -33411 6710.5 -40121 -40121 10.351 6.5771 -0.3769 6.0311e+05 2023-02-20 04:47:40,318 INFO [main.py:643]
{rank 0/100} MD step = 352100 step time: 00:00:00.017855 Performance: 505.640 ns/day 0.047 hours/ns 29.262 steps/s 2023-02-20 04:47:41,700 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 60.626 -33410 6644.7 -40055 -40055 10.354 6.5791 -0.37627 6.0332e+05 2023-02-20 04:47:43,684 INFO [main.py:643]
{rank 0/100} MD step = 352200 step time: 00:00:00.018204 Performance: 505.642 ns/day 0.047 hours/ns 29.262 steps/s 2023-02-20 04:47:45,060 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 59.695 -33546 6542.6 -40088 -40088 10.358 6.5789 -0.37589 6.0346e+05 2023-02-20 04:47:47,005 INFO [main.py:643]
{rank 0/100} MD step = 352300 step time: 00:00:00.018421 Performance: 505.646 ns/day 0.047 hours/ns 29.262 steps/s 2023-02-20 04:47:48,560 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 59.298 -33628 6499.2 -40127 -40127 10.359 6.5787 -0.37507 6.0361e+05 2023-02-20 04:47:50,498 INFO [main.py:643]
{rank 0/100} MD step = 352400 step time: 00:00:00.019385 Performance: 505.643 ns/day 0.047 hours/ns 29.262 steps/s 2023-02-20 04:47:51,338 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 59.544 -33589 6526.1 -40115 -40115 10.362 6.5814 -0.37471 6.0382e+05 2023-02-20 04:47:53,915 INFO [main.py:643]
{rank 0/100} MD step = 352500 step time: 00:00:00.018908 Performance: 505.643 ns/day 0.047 hours/ns 29.262 steps/s 2023-02-20 04:47:55,179 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 59.503 -33578 6521.6 -40100 -40100 10.367 6.5834 -0.37354 6.04e+05 2023-02-20 04:47:57,147 INFO [main.py:643]
{rank 0/100} MD step = 352600 step time: 00:00:00.019426 Performance: 505.651 ns/day 0.047 hours/ns 29.262 steps/s 2023-02-20 04:47:58,428 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 59.865 -33612 6561.2 -40173 -40173 10.372 6.5835 -0.37399 6.0418e+05 2023-02-20 04:48:00,360 INFO [main.py:643]
{rank 0/100} MD step = 352700 step time: 00:00:00.018213 Performance: 505.659 ns/day 0.047 hours/ns 29.263 steps/s 2023-02-20 04:48:01,685 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 60.25 -33585 6603.4 -40189 -40189 10.375 6.5855 -0.37357 6.0436e+05 2023-02-20 04:48:03,557 INFO [main.py:643]
{rank 0/100} MD step = 352800 step time: 00:00:00.018244 Performance: 505.669 ns/day 0.047 hours/ns 29.263 steps/s 2023-02-20 04:48:04,860 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 59.994 -33573 6575.4 -40149 -40149 10.376 6.587 -0.3749 6.0452e+05 2023-02-20 04:48:06,804 INFO [main.py:643]
{rank 0/100} MD step = 352900 step time: 00:00:00.018007 Performance: 505.676 ns/day 0.047 hours/ns 29.264 steps/s 2023-02-20 04:48:08,131 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 58.935 -33707 6459.4 -40166 -40166 10.38 6.5889 -0.37511 6.0472e+05 2023-02-20 04:48:10,078 INFO [main.py:643]
{rank 0/100} MD step = 353000 step time: 00:00:00.018837 Performance: 505.682 ns/day 0.047 hours/ns 29.264 steps/s 2023-02-20 04:48:11,315 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 60.361 -33558 6615.6 -40173 -40173 10.384 6.5894 -0.37617 6.0487e+05 2023-02-20 04:48:13,238 INFO [main.py:643]
{rank 0/100} MD step = 353100 step time: 00:00:00.018720 Performance: 505.693 ns/day 0.047 hours/ns 29.265 steps/s 2023-02-20 04:48:14,527 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 60.14 -33521 6591.4 -40112 -40112 10.387 6.5911 -0.37585 6.0507e+05 2023-02-20 04:48:16,444 INFO [main.py:643]
{rank 0/100} MD step = 353200 step time: 00:00:00.018626 Performance: 505.701 ns/day 0.047 hours/ns 29.265 steps/s 2023-02-20 04:48:17,840 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 59.895 -33572 6564.6 -40137 -40137 10.387 6.5923 -0.37609 6.0524e+05 2023-02-20 04:48:19,717 INFO [main.py:643]
{rank 0/100} MD step = 353300 step time: 00:00:00.018450 Performance: 505.707 ns/day 0.047 hours/ns 29.265 steps/s 2023-02-20 04:48:20,812 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 60.206 -33508 6598.6 -40107 -40107 10.392 6.5935 -0.37873 6.0542e+05 2023-02-20 04:48:22,864 INFO [main.py:643]
{rank 0/100} MD step = 353400 step time: 00:00:00.018365 Performance: 505.719 ns/day 0.047 hours/ns 29.266 steps/s 2023-02-20 04:48:24,015 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 60.722 -33521 6655.2 -40176 -40176 10.395 6.5938 -0.37975 6.056e+05 2023-02-20 04:48:25,964 INFO [main.py:643]
{rank 0/100} MD step = 353500 step time: 00:00:00.017952 Performance: 505.732 ns/day 0.047 hours/ns 29.267 steps/s 2023-02-20 04:48:27,365 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 59.227 -33605 6491.4 -40096 -40096 10.396 6.5962 -0.37835 6.0574e+05 2023-02-20 04:48:29,262 INFO [main.py:643]
{rank 0/100} MD step = 353600 step time: 00:00:00.018034 Performance: 505.737 ns/day 0.047 hours/ns 29.267 steps/s 2023-02-20 04:48:30,494 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 59.426 -33561 6513.2 -40074 -40074 10.4 6.5984 -0.37798 6.0591e+05 2023-02-20 04:48:32,408 INFO [main.py:643]
{rank 0/100} MD step = 353700 step time: 00:00:00.018217 Performance: 505.748 ns/day 0.047 hours/ns 29.268 steps/s 2023-02-20 04:48:33,774 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 59.896 -33526 6564.7 -40091 -40091 10.404 6.5989 -0.3767 6.0606e+05 2023-02-20 04:48:35,683 INFO [main.py:643]
{rank 0/100} MD step = 353800 step time: 00:00:00.018152 Performance: 505.754 ns/day 0.047 hours/ns 29.268 steps/s 2023-02-20 04:48:37,089 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 60.101 -33524 6587.1 -40111 -40111 10.408 6.6007 -0.37653 6.0623e+05 2023-02-20 04:48:38,921 INFO [main.py:643]
{rank 0/100} MD step = 353900 step time: 00:00:00.018378 Performance: 505.762 ns/day 0.047 hours/ns 29.269 steps/s 2023-02-20 04:48:40,268 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 353900 70780 59.423 -33654 6512.8 -40167 -40167 10.41 6.6032 -0.37678 6.064e+05 2023-02-20 04:48:42,168 INFO [main.py:643]
{rank 0/100} MD step = 354000 step time: 00:00:00.018205 Performance: 505.769 ns/day 0.047 hours/ns 29.269 steps/s 2023-02-20 04:48:42,992 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 59.665 -33618 6539.4 -40157 -40157 10.413 6.6052 -0.37695 6.0657e+05 2023-02-20 04:48:46,422 INFO [main.py:643]
{rank 0/100} MD step = 354100 step time: 00:00:00.018135 Performance: 505.734 ns/day 0.047 hours/ns 29.267 steps/s 2023-02-20 04:48:47,855 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 60.22 -33536 6600.2 -40136 -40136 10.417 6.607 -0.37751 6.0675e+05 2023-02-20 04:48:49,792 INFO [main.py:643]
{rank 0/100} MD step = 354200 step time: 00:00:00.017950 Performance: 505.736 ns/day 0.047 hours/ns 29.267 steps/s 2023-02-20 04:48:51,224 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 59.56 -33527 6527.8 -40055 -40055 10.417 6.6087 -0.37802 6.0693e+05 2023-02-20 04:48:53,108 INFO [main.py:643]
{rank 0/100} MD step = 354300 step time: 00:00:00.018126 Performance: 505.740 ns/day 0.047 hours/ns 29.267 steps/s 2023-02-20 04:48:54,310 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 354300 70860 60.48 -33443 6628.7 -40072 -40072 10.42 6.6081 -0.37831 6.0709e+05 2023-02-20 04:48:56,224 INFO [main.py:643]
{rank 0/100} MD step = 354400 step time: 00:00:00.017940 Performance: 505.753 ns/day 0.047 hours/ns 29.268 steps/s 2023-02-20 04:48:57,553 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 59.984 -33560 6574.3 -40134 -40134 10.424 6.6098 -0.37716 6.0728e+05 2023-02-20 04:48:59,399 INFO [main.py:643]
{rank 0/100} MD step = 354500 step time: 00:00:00.018032 Performance: 505.763 ns/day 0.047 hours/ns 29.269 steps/s 2023-02-20 04:49:00,663 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 60.38 -33611 6617.7 -40228 -40228 10.428 6.6119 -0.37676 6.0742e+05 2023-02-20 04:49:02,531 INFO [main.py:643]
{rank 0/100} MD step = 354600 step time: 00:00:00.020201 Performance: 505.775 ns/day 0.047 hours/ns 29.269 steps/s 2023-02-20 04:49:03,615 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 354600 70920 59.925 -33454 6567.8 -40022 -40022 10.431 6.6155 -0.37623 6.0769e+05 2023-02-20 04:49:05,623 INFO [main.py:643]
{rank 0/100} MD step = 354700 step time: 00:00:00.017989 Performance: 505.788 ns/day 0.047 hours/ns 29.270 steps/s 2023-02-20 04:49:06,875 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 60.291 -33490 6608 -40098 -40098 10.433 6.6175 -0.37655 6.0784e+05 2023-02-20 04:49:08,783 INFO [main.py:643]
{rank 0/100} MD step = 354800 step time: 00:00:00.018014 Performance: 505.799 ns/day 0.047 hours/ns 29.271 steps/s 2023-02-20 04:49:09,967 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 59.53 -33615 6524.6 -40140 -40140 10.437 6.616 -0.37709 6.0801e+05 2023-02-20 04:49:11,923 INFO [main.py:643]
{rank 0/100} MD step = 354900 step time: 00:00:00.018313 Performance: 505.810 ns/day 0.047 hours/ns 29.271 steps/s 2023-02-20 04:49:13,028 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 59.505 -33641 6521.9 -40163 -40163 10.44 6.6185 -0.37667 6.0817e+05 2023-02-20 04:49:15,055 INFO [main.py:643]
{rank 0/100} MD step = 355000 step time: 00:00:00.018482 Performance: 505.822 ns/day 0.047 hours/ns 29.272 steps/s 2023-02-20 04:49:16,336 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 59.974 -33554 6573.3 -40127 -40127 10.444 6.6191 -0.3747 6.0835e+05 2023-02-20 04:49:18,228 INFO [main.py:643]
{rank 0/100} MD step = 355100 step time: 00:00:00.018285 Performance: 505.832 ns/day 0.047 hours/ns 29.273 steps/s 2023-02-20 04:49:19,564 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 355100 71020 59.57 -33609 6528.9 -40138 -40138 10.446 6.6186 -0.37442 6.0852e+05 2023-02-20 04:49:21,398 INFO [main.py:643]
{rank 0/100} MD step = 355200 step time: 00:00:00.017988 Performance: 505.843 ns/day 0.047 hours/ns 29.273 steps/s 2023-02-20 04:49:22,754 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 355200 71040 60.014 -33639 6577.6 -40216 -40216 10.449 6.6218 -0.37381 6.0867e+05 2023-02-20 04:49:24,647 INFO [main.py:643]
{rank 0/100} MD step = 355300 step time: 00:00:00.018140 Performance: 505.850 ns/day 0.047 hours/ns 29.274 steps/s 2023-02-20 04:49:25,982 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 59.363 -33544 6506.2 -40051 -40051 10.453 6.6218 -0.37539 6.0887e+05 2023-02-20 04:49:27,802 INFO [main.py:643]
{rank 0/100} MD step = 355400 step time: 00:00:00.017949 Performance: 505.860 ns/day 0.047 hours/ns 29.274 steps/s 2023-02-20 04:49:29,093 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 60.776 -33450 6661.1 -40112 -40112 10.455 6.6219 -0.37609 6.0906e+05 2023-02-20 04:49:30,949 INFO [main.py:643]
{rank 0/100} MD step = 355500 step time: 00:00:00.018123 Performance: 505.872 ns/day 0.047 hours/ns 29.275 steps/s 2023-02-20 04:49:32,219 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 59.196 -33661 6488 -40149 -40149 10.457 6.6254 -0.37667 6.0922e+05 2023-02-20 04:49:34,090 INFO [main.py:643]
{rank 0/100} MD step = 355600 step time: 00:00:00.018149 Performance: 505.883 ns/day 0.047 hours/ns 29.276 steps/s 2023-02-20 04:49:35,327 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 59.571 -33542 6529.1 -40071 -40071 10.459 6.6266 -0.37604 6.094e+05 2023-02-20 04:49:37,200 INFO [main.py:643]
{rank 0/100} MD step = 355700 step time: 00:00:00.018135 Performance: 505.896 ns/day 0.047 hours/ns 29.276 steps/s 2023-02-20 04:49:38,363 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 355700 71140 60.22 -33506 6600.1 -40106 -40106 10.462 6.6283 -0.376 6.0955e+05 2023-02-20 04:49:40,309 INFO [main.py:643]
{rank 0/100} MD step = 355800 step time: 00:00:00.018161 Performance: 505.909 ns/day 0.047 hours/ns 29.277 steps/s 2023-02-20 04:49:41,576 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 60.634 -33420 6645.5 -40065 -40065 10.463 6.6289 -0.37463 6.0972e+05 2023-02-20 04:49:43,464 INFO [main.py:643]
{rank 0/100} MD step = 355900 step time: 00:00:00.018465 Performance: 505.919 ns/day 0.047 hours/ns 29.278 steps/s 2023-02-20 04:49:44,739 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 60.451 -33440 6625.5 -40066 -40066 10.465 6.6289 -0.37425 6.0991e+05 2023-02-20 04:49:46,604 INFO [main.py:643]
{rank 0/100} MD step = 356000 step time: 00:00:00.018119 Performance: 505.931 ns/day 0.047 hours/ns 29.278 steps/s 2023-02-20 04:49:47,863 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 356000 71200 60.512 -33520 6632.2 -40152 -40152 10.468 6.6301 -0.37459 6.1007e+05 2023-02-20 04:49:49,789 INFO [main.py:643]
{rank 0/100} MD step = 356100 step time: 00:00:00.018176 Performance: 505.940 ns/day 0.047 hours/ns 29.279 steps/s 2023-02-20 04:49:51,104 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 59.789 -33575 6553 -40128 -40128 10.472 6.6308 -0.3729 6.1023e+05 2023-02-20 04:49:52,995 INFO [main.py:643]
{rank 0/100} MD step = 356200 step time: 00:00:00.018193 Performance: 505.949 ns/day 0.047 hours/ns 29.279 steps/s 2023-02-20 04:49:54,251 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 356200 71240 59.836 -33597 6558.1 -40156 -40156 10.475 6.6315 -0.37166 6.104e+05 2023-02-20 04:49:56,117 INFO [main.py:643]
{rank 0/100} MD step = 356300 step time: 00:00:00.017991 Performance: 505.961 ns/day 0.047 hours/ns 29.280 steps/s 2023-02-20 04:49:57,303 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 61.337 -33340 6722.6 -40062 -40062 10.479 6.6329 -0.37189 6.1059e+05 2023-02-20 04:49:59,287 INFO [main.py:643]
{rank 0/100} MD step = 356400 step time: 00:00:00.018226 Performance: 505.972 ns/day 0.047 hours/ns 29.281 steps/s 2023-02-20 04:50:00,547 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 59.449 -33587 6515.7 -40103 -40103 10.481 6.6349 -0.36946 6.1078e+05 2023-02-20 04:50:02,404 INFO [main.py:643]
{rank 0/100} MD step = 356500 step time: 00:00:00.018089 Performance: 505.984 ns/day 0.047 hours/ns 29.281 steps/s 2023-02-20 04:50:03,700 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 59.17 -33790 6485.1 -40275 -40275 10.484 6.6373 -0.36937 6.109e+05 2023-02-20 04:50:05,674 INFO [main.py:643]
{rank 0/100} MD step = 356600 step time: 00:00:00.018097 Performance: 505.990 ns/day 0.047 hours/ns 29.282 steps/s 2023-02-20 04:50:06,807 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 356600 71320 60.762 -33453 6659.5 -40112 -40112 10.486 6.6389 -0.36854 6.1108e+05 2023-02-20 04:50:08,782 INFO [main.py:643]
{rank 0/100} MD step = 356700 step time: 00:00:00.018058 Performance: 506.003 ns/day 0.047 hours/ns 29.283 steps/s 2023-02-20 04:50:10,139 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 60.055 -33521 6582.1 -40103 -40103 10.489 6.6389 -0.37023 6.1122e+05 2023-02-20 04:50:11,966 INFO [main.py:643]
{rank 0/100} MD step = 356800 step time: 00:00:00.018109 Performance: 506.012 ns/day 0.047 hours/ns 29.283 steps/s 2023-02-20 04:50:13,344 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 60.763 -33473 6659.7 -40133 -40133 10.492 6.6405 -0.37034 6.1138e+05 2023-02-20 04:50:15,239 INFO [main.py:643]
{rank 0/100} MD step = 356900 step time: 00:00:00.018117 Performance: 506.018 ns/day 0.047 hours/ns 29.283 steps/s 2023-02-20 04:50:16,564 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 60.374 -33487 6617 -40104 -40104 10.495 6.6411 -0.3713 6.1155e+05 2023-02-20 04:50:18,462 INFO [main.py:643]
{rank 0/100} MD step = 357000 step time: 00:00:00.018252 Performance: 506.026 ns/day 0.047 hours/ns 29.284 steps/s 2023-02-20 04:50:19,872 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 59.67 -33504 6539.9 -40044 -40044 10.498 6.6425 -0.37109 6.1172e+05 2023-02-20 04:50:21,681 INFO [main.py:643]
{rank 0/100} MD step = 357100 step time: 00:00:00.018859 Performance: 506.034 ns/day 0.047 hours/ns 29.284 steps/s 2023-02-20 04:50:22,823 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 59.061 -33672 6473.2 -40145 -40145 10.502 6.644 -0.37248 6.1188e+05 2023-02-20 04:50:24,889 INFO [main.py:643]
{rank 0/100} MD step = 357200 step time: 00:00:00.018565 Performance: 506.043 ns/day 0.047 hours/ns 29.285 steps/s 2023-02-20 04:50:25,782 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 357200 71440 60.567 -33527 6638.2 -40165 -40165 10.506 6.6452 -0.37134 6.1207e+05 2023-02-20 04:50:28,188 INFO [main.py:643]
{rank 0/100} MD step = 357300 step time: 00:00:00.018552 Performance: 506.048 ns/day 0.047 hours/ns 29.285 steps/s 2023-02-20 04:50:29,451 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 59.536 -33553 6525.3 -40078 -40078 10.507 6.6458 -0.36993 6.1225e+05 2023-02-20 04:50:31,385 INFO [main.py:643]
{rank 0/100} MD step = 357400 step time: 00:00:00.018088 Performance: 506.057 ns/day 0.047 hours/ns 29.286 steps/s 2023-02-20 04:50:32,703 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 59.626 -33581 6535.1 -40116 -40116 10.51 6.6467 -0.37004 6.1245e+05 2023-02-20 04:50:34,521 INFO [main.py:643]
{rank 0/100} MD step = 357500 step time: 00:00:00.018142 Performance: 506.068 ns/day 0.047 hours/ns 29.286 steps/s 2023-02-20 04:50:35,760 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 59.394 -33613 6509.7 -40123 -40123 10.514 6.648 -0.37092 6.1263e+05 2023-02-20 04:50:37,655 INFO [main.py:643]
{rank 0/100} MD step = 357600 step time: 00:00:00.018126 Performance: 506.080 ns/day 0.047 hours/ns 29.287 steps/s 2023-02-20 04:50:38,955 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 60.233 -33598 6601.6 -40200 -40200 10.517 6.6499 -0.3708 6.1276e+05 2023-02-20 04:50:40,782 INFO [main.py:643]
{rank 0/100} MD step = 357700 step time: 00:00:00.020007 Performance: 506.092 ns/day 0.047 hours/ns 29.288 steps/s 2023-02-20 04:50:42,059 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 59.84 -33632 6558.6 -40190 -40190 10.522 6.651 -0.37154 6.1295e+05 2023-02-20 04:50:43,902 INFO [main.py:643]
{rank 0/100} MD step = 357800 step time: 00:00:00.018156 Performance: 506.104 ns/day 0.047 hours/ns 29.288 steps/s 2023-02-20 04:50:45,109 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 59.698 -33481 6543 -40024 -40024 10.528 6.6508 -0.3724 6.1315e+05 2023-02-20 04:50:46,984 INFO [main.py:643]
{rank 0/100} MD step = 357900 step time: 00:00:00.018136 Performance: 506.118 ns/day 0.047 hours/ns 29.289 steps/s 2023-02-20 04:50:48,222 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 60.59 -33472 6640.8 -40112 -40112 10.534 6.6513 -0.37269 6.133e+05 2023-02-20 04:50:50,222 INFO [main.py:643]
{rank 0/100} MD step = 358000 step time: 00:00:00.018086 Performance: 506.125 ns/day 0.047 hours/ns 29.290 steps/s 2023-02-20 04:50:51,538 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 60.517 -33397 6632.7 -40029 -40029 10.537 6.6538 -0.37154 6.1349e+05 2023-02-20 04:50:53,344 INFO [main.py:643]
{rank 0/100} MD step = 358100 step time: 00:00:00.018135 Performance: 506.137 ns/day 0.047 hours/ns 29.290 steps/s 2023-02-20 04:50:54,697 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 59.783 -33525 6552.3 -40077 -40077 10.542 6.6561 -0.37121 6.1365e+05 2023-02-20 04:50:56,584 INFO [main.py:643]
{rank 0/100} MD step = 358200 step time: 00:00:00.018150 Performance: 506.144 ns/day 0.047 hours/ns 29.291 steps/s 2023-02-20 04:50:57,878 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 358200 71640 59.714 -33555 6544.7 -40099 -40099 10.546 6.6581 -0.37234 6.1379e+05 2023-02-20 04:50:59,757 INFO [main.py:643]
{rank 0/100} MD step = 358300 step time: 00:00:00.021887 Performance: 506.154 ns/day 0.047 hours/ns 29.291 steps/s 2023-02-20 04:51:00,625 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 358300 71660 59.26 -33674 6495 -40169 -40169 10.55 6.6574 -0.37186 6.1394e+05 2023-02-20 04:51:02,958 INFO [main.py:643]
{rank 0/100} MD step = 358400 step time: 00:00:00.018090 Performance: 506.163 ns/day 0.047 hours/ns 29.292 steps/s 2023-02-20 04:51:04,201 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 59.863 -33445 6561.1 -40006 -40006 10.556 6.6579 -0.37259 6.1417e+05 2023-02-20 04:51:06,139 INFO [main.py:643]
{rank 0/100} MD step = 358500 step time: 00:00:00.018184 Performance: 506.173 ns/day 0.047 hours/ns 29.292 steps/s 2023-02-20 04:51:07,406 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 60.327 -33504 6611.9 -40116 -40116 10.56 6.6603 -0.37246 6.1433e+05 2023-02-20 04:51:09,679 INFO [main.py:643]
{rank 0/100} MD step = 358600 step time: 00:00:00.018060 Performance: 506.168 ns/day 0.047 hours/ns 29.292 steps/s 2023-02-20 04:51:10,487 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 60.372 -33549 6616.8 -40165 -40165 10.564 6.6624 -0.37248 6.1448e+05 2023-02-20 04:51:13,009 INFO [main.py:643]
{rank 0/100} MD step = 358700 step time: 00:00:00.017995 Performance: 506.171 ns/day 0.047 hours/ns 29.292 steps/s 2023-02-20 04:51:14,166 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 358700 71740 60.002 -33486 6576.3 -40062 -40062 10.569 6.6628 -0.37274 6.1469e+05 2023-02-20 04:51:16,322 INFO [main.py:643]
{rank 0/100} MD step = 358800 step time: 00:00:00.018366 Performance: 506.175 ns/day 0.047 hours/ns 29.293 steps/s 2023-02-20 04:51:17,614 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 60.61 -33514 6642.9 -40157 -40157 10.573 6.664 -0.37469 6.1485e+05 2023-02-20 04:51:19,471 INFO [main.py:643]
{rank 0/100} MD step = 358900 step time: 00:00:00.018171 Performance: 506.186 ns/day 0.047 hours/ns 29.293 steps/s 2023-02-20 04:51:20,216 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 60.207 -33574 6598.7 -40173 -40173 10.576 6.6655 -0.37598 6.1504e+05 2023-02-20 04:51:22,600 INFO [main.py:643]
{rank 0/100} MD step = 359000 step time: 00:00:00.018017 Performance: 506.198 ns/day 0.047 hours/ns 29.294 steps/s 2023-02-20 04:51:23,791 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 60.981 -33370 6683.6 -40053 -40053 10.581 6.6665 -0.37724 6.1522e+05 2023-02-20 04:51:25,744 INFO [main.py:643]
{rank 0/100} MD step = 359100 step time: 00:00:00.018884 Performance: 506.209 ns/day 0.047 hours/ns 29.295 steps/s 2023-02-20 04:51:26,917 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 60.769 -33471 6660.4 -40131 -40131 10.585 6.6677 -0.37666 6.1538e+05 2023-02-20 04:51:28,815 INFO [main.py:643]
{rank 0/100} MD step = 359200 step time: 00:00:00.018067 Performance: 506.223 ns/day 0.047 hours/ns 29.295 steps/s 2023-02-20 04:51:30,392 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 60.524 -33641 6633.5 -40274 -40274 10.59 6.669 -0.37553 6.1552e+05 2023-02-20 04:51:32,765 INFO [main.py:643]
{rank 0/100} MD step = 359300 step time: 00:00:00.018393 Performance: 506.201 ns/day 0.047 hours/ns 29.294 steps/s 2023-02-20 04:51:33,643 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 59.361 -33602 6506 -40108 -40108 10.594 6.6703 -0.37469 6.1571e+05 2023-02-20 04:51:35,964 INFO [main.py:643]
{rank 0/100} MD step = 359400 step time: 00:00:00.018316 Performance: 506.210 ns/day 0.047 hours/ns 29.295 steps/s 2023-02-20 04:51:37,258 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 59.915 -33573 6566.8 -40139 -40139 10.599 6.6707 -0.37356 6.1588e+05 2023-02-20 04:51:39,101 INFO [main.py:643]
{rank 0/100} MD step = 359500 step time: 00:00:00.018258 Performance: 506.221 ns/day 0.047 hours/ns 29.295 steps/s 2023-02-20 04:51:40,248 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 60.783 -33401 6661.9 -40063 -40063 10.604 6.6714 -0.37474 6.1604e+05 2023-02-20 04:51:42,173 INFO [main.py:643]
{rank 0/100} MD step = 359600 step time: 00:00:00.017995 Performance: 506.235 ns/day 0.047 hours/ns 29.296 steps/s 2023-02-20 04:51:43,530 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 61.101 -33534 6696.7 -40231 -40231 10.61 6.6735 -0.37375 6.1622e+05 2023-02-20 04:51:45,346 INFO [main.py:643]
{rank 0/100} MD step = 359700 step time: 00:00:00.018286 Performance: 506.245 ns/day 0.047 hours/ns 29.297 steps/s 2023-02-20 04:51:46,688 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 60.392 -33495 6619 -40114 -40114 10.614 6.6763 -0.37241 6.164e+05 2023-02-20 04:51:48,580 INFO [main.py:643]
{rank 0/100} MD step = 359800 step time: 00:00:00.018160 Performance: 506.253 ns/day 0.047 hours/ns 29.297 steps/s 2023-02-20 04:51:49,908 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 59.759 -33522 6549.7 -40071 -40071 10.618 6.6759 -0.37069 6.1655e+05 2023-02-20 04:51:51,789 INFO [main.py:643]
{rank 0/100} MD step = 359900 step time: 00:00:00.018038 Performance: 506.261 ns/day 0.047 hours/ns 29.298 steps/s 2023-02-20 04:51:53,118 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 60.408 -33430 6620.8 -40050 -40050 10.624 6.6772 -0.36977 6.1675e+05 2023-02-20 04:51:54,964 INFO [main.py:643]
{rank 0/100} MD step = 360000 step time: 00:00:00.018180 Performance: 506.271 ns/day 0.047 hours/ns 29.298 steps/s 2023-02-20 04:51:56,290 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 59.907 -33543 6565.9 -40109 -40109 10.631 6.6787 -0.36859 6.1691e+05 2023-02-20 04:51:58,233 INFO [main.py:643]
{rank 0/100} MD step = 360100 step time: 00:00:00.028442 Performance: 506.277 ns/day 0.047 hours/ns 29.298 steps/s 2023-02-20 04:51:59,575 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 60.587 -33432 6640.5 -40072 -40072 10.636 6.6798 -0.36664 6.171e+05 2023-02-20 04:52:01,491 INFO [main.py:643]
{rank 0/100} MD step = 360200 step time: 00:00:00.018549 Performance: 506.283 ns/day 0.047 hours/ns 29.299 steps/s 2023-02-20 04:52:02,677 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 60.074 -33541 6584.1 -40125 -40125 10.642 6.682 -0.36747 6.1727e+05 2023-02-20 04:52:04,621 INFO [main.py:643]
{rank 0/100} MD step = 360300 step time: 00:00:00.018021 Performance: 506.295 ns/day 0.047 hours/ns 29.299 steps/s 2023-02-20 04:52:05,993 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 60.124 -33515 6589.6 -40105 -40105 10.647 6.686 -0.36812 6.1747e+05 2023-02-20 04:52:07,980 INFO [main.py:643]
{rank 0/100} MD step = 360400 step time: 00:00:00.020852 Performance: 506.297 ns/day 0.047 hours/ns 29.300 steps/s 2023-02-20 04:52:09,214 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 59.753 -33571 6549 -40120 -40120 10.652 6.6885 -0.36848 6.1764e+05 2023-02-20 04:52:11,150 INFO [main.py:643]
{rank 0/100} MD step = 360500 step time: 00:00:00.018177 Performance: 506.307 ns/day 0.047 hours/ns 29.300 steps/s 2023-02-20 04:52:12,453 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 59.861 -33675 6560.9 -40236 -40236 10.655 6.6912 -0.36901 6.1783e+05 2023-02-20 04:52:14,363 INFO [main.py:643]
{rank 0/100} MD step = 360600 step time: 00:00:00.018177 Performance: 506.315 ns/day 0.047 hours/ns 29.301 steps/s 2023-02-20 04:52:15,657 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 61.426 -33568 6732.3 -40300 -40300 10.66 6.6928 -0.36714 6.1797e+05 2023-02-20 04:52:17,535 INFO [main.py:643]
{rank 0/100} MD step = 360700 step time: 00:00:00.018161 Performance: 506.325 ns/day 0.047 hours/ns 29.301 steps/s 2023-02-20 04:52:19,035 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 60.376 -33501 6617.3 -40119 -40119 10.666 6.6945 -0.36619 6.1817e+05 2023-02-20 04:52:20,848 INFO [main.py:643]
{rank 0/100} MD step = 360800 step time: 00:00:00.018208 Performance: 506.329 ns/day 0.047 hours/ns 29.301 steps/s 2023-02-20 04:52:22,322 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 59.675 -33547 6540.4 -40088 -40088 10.672 6.6956 -0.36633 6.1832e+05 2023-02-20 04:52:24,166 INFO [main.py:643]
{rank 0/100} MD step = 360900 step time: 00:00:00.017983 Performance: 506.333 ns/day 0.047 hours/ns 29.302 steps/s 2023-02-20 04:52:25,628 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 59.395 -33530 6509.8 -40040 -40040 10.677 6.6968 -0.36769 6.185e+05 2023-02-20 04:52:27,569 INFO [main.py:643]
{rank 0/100} MD step = 361000 step time: 00:00:00.020086 Performance: 506.334 ns/day 0.047 hours/ns 29.302 steps/s 2023-02-20 04:52:29,090 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 59.197 -33693 6488 -40181 -40181 10.682 6.6975 -0.36747 6.1859e+05 2023-02-20 04:52:31,009 INFO [main.py:643]
{rank 0/100} MD step = 361100 step time: 00:00:00.018076 Performance: 506.333 ns/day 0.047 hours/ns 29.302 steps/s 2023-02-20 04:52:32,247 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 59.453 -33492 6516.1 -40008 -40008 10.688 6.6966 -0.36637 6.1881e+05 2023-02-20 04:52:34,226 INFO [main.py:643]
{rank 0/100} MD step = 361200 step time: 00:00:00.018225 Performance: 506.341 ns/day 0.047 hours/ns 29.302 steps/s 2023-02-20 04:52:35,658 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 59.617 -33552 6534.1 -40086 -40086 10.692 6.6974 -0.36384 6.1897e+05 2023-02-20 04:52:37,518 INFO [main.py:643]
{rank 0/100} MD step = 361300 step time: 00:00:00.017942 Performance: 506.346 ns/day 0.047 hours/ns 29.302 steps/s 2023-02-20 04:52:38,821 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 60.151 -33441 6592.6 -40033 -40033 10.698 6.6985 -0.3636 6.1913e+05 2023-02-20 04:52:41,153 INFO [main.py:643]
{rank 0/100} MD step = 361400 step time: 00:00:00.017929 Performance: 506.336 ns/day 0.047 hours/ns 29.302 steps/s 2023-02-20 04:52:42,346 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 60.381 -33599 6617.8 -40217 -40217 10.703 6.6987 -0.36556 6.1929e+05 2023-02-20 04:52:44,312 INFO [main.py:643]
{rank 0/100} MD step = 361500 step time: 00:00:00.018410 Performance: 506.347 ns/day 0.047 hours/ns 29.302 steps/s 2023-02-20 04:52:45,762 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 361500 72300 60.097 -33566 6586.7 -40153 -40153 10.708 6.7008 -0.36666 6.1947e+05 2023-02-20 04:52:47,633 INFO [main.py:643]
{rank 0/100} MD step = 361600 step time: 00:00:00.018109 Performance: 506.351 ns/day 0.047 hours/ns 29.303 steps/s 2023-02-20 04:52:49,031 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 60.348 -33572 6614.2 -40186 -40186 10.713 6.7027 -0.36605 6.1962e+05 2023-02-20 04:52:50,878 INFO [main.py:643]
{rank 0/100} MD step = 361700 step time: 00:00:00.018135 Performance: 506.358 ns/day 0.047 hours/ns 29.303 steps/s 2023-02-20 04:52:52,208 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 59.782 -33575 6552.2 -40127 -40127 10.719 6.7029 -0.36589 6.1978e+05 2023-02-20 04:52:54,080 INFO [main.py:643]
{rank 0/100} MD step = 361800 step time: 00:00:00.018145 Performance: 506.366 ns/day 0.047 hours/ns 29.304 steps/s 2023-02-20 04:52:55,410 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 59.968 -33491 6572.5 -40063 -40063 10.727 6.7045 -0.36688 6.1996e+05 2023-02-20 04:52:57,373 INFO [main.py:643]
{rank 0/100} MD step = 361900 step time: 00:00:00.018761 Performance: 506.371 ns/day 0.047 hours/ns 29.304 steps/s 2023-02-20 04:52:58,670 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 59.609 -33557 6533.2 -40091 -40091 10.734 6.705 -0.36794 6.201e+05 2023-02-20 04:53:00,598 INFO [main.py:643]
{rank 0/100} MD step = 362000 step time: 00:00:00.018253 Performance: 506.379 ns/day 0.047 hours/ns 29.304 steps/s 2023-02-20 04:53:01,943 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 59.747 -33682 6548.3 -40230 -40230 10.737 6.707 -0.36754 6.2029e+05 2023-02-20 04:53:03,834 INFO [main.py:643]
{rank 0/100} MD step = 362100 step time: 00:00:00.018356 Performance: 506.386 ns/day 0.047 hours/ns 29.305 steps/s 2023-02-20 04:53:05,153 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 362100 72420 59.939 -33531 6569.4 -40101 -40101 10.742 6.7077 -0.36723 6.2049e+05 2023-02-20 04:53:06,966 INFO [main.py:643]
{rank 0/100} MD step = 362200 step time: 00:00:00.018086 Performance: 506.398 ns/day 0.047 hours/ns 29.305 steps/s 2023-02-20 04:53:08,326 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 362200 72440 60.652 -33513 6647.5 -40161 -40161 10.748 6.7093 -0.3672 6.2066e+05 2023-02-20 04:53:10,171 INFO [main.py:643]
{rank 0/100} MD step = 362300 step time: 00:00:00.018204 Performance: 506.406 ns/day 0.047 hours/ns 29.306 steps/s 2023-02-20 04:53:11,509 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 362300 72460 60.915 -33429 6676.4 -40105 -40105 10.753 6.7117 -0.36635 6.2088e+05 2023-02-20 04:53:13,416 INFO [main.py:643]
{rank 0/100} MD step = 362400 step time: 00:00:00.018014 Performance: 506.413 ns/day 0.047 hours/ns 29.306 steps/s 2023-02-20 04:53:14,730 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 59.619 -33624 6534.3 -40158 -40158 10.757 6.7127 -0.3668 6.2108e+05 2023-02-20 04:53:16,655 INFO [main.py:643]
{rank 0/100} MD step = 362500 step time: 00:00:00.018175 Performance: 506.420 ns/day 0.047 hours/ns 29.307 steps/s 2023-02-20 04:53:18,109 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 59.98 -33498 6573.8 -40072 -40072 10.761 6.7156 -0.36607 6.2125e+05 2023-02-20 04:53:19,928 INFO [main.py:643]
{rank 0/100} MD step = 362600 step time: 00:00:00.020356 Performance: 506.426 ns/day 0.047 hours/ns 29.307 steps/s 2023-02-20 04:53:21,688 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 60.611 -33502 6643 -40145 -40145 10.766 6.7152 -0.36509 6.2143e+05 2023-02-20 04:53:23,607 INFO [main.py:643]
{rank 0/100} MD step = 362700 step time: 00:00:00.018345 Performance: 506.415 ns/day 0.047 hours/ns 29.306 steps/s 2023-02-20 04:53:25,480 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 61.664 -33401 6758.4 -40159 -40159 10.77 6.7167 -0.36661 6.2158e+05 2023-02-20 04:53:27,358 INFO [main.py:643]
{rank 0/100} MD step = 362800 step time: 00:00:00.018738 Performance: 506.401 ns/day 0.047 hours/ns 29.306 steps/s 2023-02-20 04:53:28,790 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 60.196 -33499 6597.5 -40097 -40097 10.773 6.718 -0.36634 6.2177e+05 2023-02-20 04:53:30,728 INFO [main.py:643]
{rank 0/100} MD step = 362900 step time: 00:00:00.019551 Performance: 506.403 ns/day 0.047 hours/ns 29.306 steps/s 2023-02-20 04:53:31,597 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 60.945 -33385 6679.6 -40064 -40064 10.778 6.7195 -0.36613 6.2194e+05 2023-02-20 04:53:33,998 INFO [main.py:643]
{rank 0/100} MD step = 363000 step time: 00:00:00.018192 Performance: 506.408 ns/day 0.047 hours/ns 29.306 steps/s 2023-02-20 04:53:35,418 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 60.61 -33462 6643 -40105 -40105 10.781 6.721 -0.36794 6.221e+05 2023-02-20 04:53:37,276 INFO [main.py:643]
{rank 0/100} MD step = 363100 step time: 00:00:00.019605 Performance: 506.414 ns/day 0.047 hours/ns 29.306 steps/s 2023-02-20 04:53:38,162 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 60.224 -33408 6600.6 -40009 -40009 10.785 6.723 -0.36718 6.2229e+05 2023-02-20 04:53:40,507 INFO [main.py:643]
{rank 0/100} MD step = 363200 step time: 00:00:00.017979 Performance: 506.421 ns/day 0.047 hours/ns 29.307 steps/s 2023-02-20 04:53:42,071 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 60.791 -33439 6662.7 -40102 -40102 10.791 6.7237 -0.36661 6.2245e+05 2023-02-20 04:53:43,927 INFO [main.py:643]
{rank 0/100} MD step = 363300 step time: 00:00:00.017972 Performance: 506.421 ns/day 0.047 hours/ns 29.307 steps/s 2023-02-20 04:53:45,268 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 59.252 -33593 6494.1 -40087 -40087 10.796 6.7239 -0.36638 6.2261e+05 2023-02-20 04:53:47,085 INFO [main.py:643]
{rank 0/100} MD step = 363400 step time: 00:00:00.019027 Performance: 506.431 ns/day 0.047 hours/ns 29.307 steps/s 2023-02-20 04:53:48,426 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 59.685 -33544 6541.5 -40085 -40085 10.802 6.7232 -0.36545 6.2277e+05 2023-02-20 04:53:50,262 INFO [main.py:643]
{rank 0/100} MD step = 363500 step time: 00:00:00.018087 Performance: 506.441 ns/day 0.047 hours/ns 29.308 steps/s 2023-02-20 04:53:51,533 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 60.024 -33667 6578.7 -40246 -40246 10.806 6.7256 -0.36499 6.2294e+05 2023-02-20 04:53:53,345 INFO [main.py:643]
{rank 0/100} MD step = 363600 step time: 00:00:00.018063 Performance: 506.454 ns/day 0.047 hours/ns 29.309 steps/s 2023-02-20 04:53:54,581 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 59.782 -33494 6552.1 -40046 -40046 10.808 6.7257 -0.36456 6.2313e+05 2023-02-20 04:53:56,490 INFO [main.py:643]
{rank 0/100} MD step = 363700 step time: 00:00:00.018009 Performance: 506.465 ns/day 0.047 hours/ns 29.309 steps/s 2023-02-20 04:53:57,791 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 363700 72740 59.745 -33547 6548.1 -40096 -40096 10.81 6.7255 -0.36375 6.2332e+05 2023-02-20 04:53:59,781 INFO [main.py:643]
{rank 0/100} MD step = 363800 step time: 00:00:00.018429 Performance: 506.470 ns/day 0.047 hours/ns 29.310 steps/s 2023-02-20 04:54:01,198 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 59.651 -33621 6537.8 -40158 -40158 10.814 6.7267 -0.36413 6.2345e+05 2023-02-20 04:54:03,018 INFO [main.py:643]
{rank 0/100} MD step = 363900 step time: 00:00:00.017986 Performance: 506.477 ns/day 0.047 hours/ns 29.310 steps/s 2023-02-20 04:54:04,345 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 59.835 -33556 6558 -40114 -40114 10.821 6.7277 -0.36322 6.2363e+05 2023-02-20 04:54:06,291 INFO [main.py:643]
{rank 0/100} MD step = 364000 step time: 00:00:00.019667 Performance: 506.483 ns/day 0.047 hours/ns 29.310 steps/s 2023-02-20 04:54:07,804 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 60.769 -33580 6660.3 -40240 -40240 10.826 6.7278 -0.36496 6.2378e+05 2023-02-20 04:54:09,739 INFO [main.py:643]
{rank 0/100} MD step = 364100 step time: 00:00:00.019216 Performance: 506.482 ns/day 0.047 hours/ns 29.310 steps/s 2023-02-20 04:54:11,103 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 59.79 -33523 6553 -40076 -40076 10.83 6.7297 -0.36507 6.2396e+05 2023-02-20 04:54:13,372 INFO [main.py:643]
{rank 0/100} MD step = 364200 step time: 00:00:00.028191 Performance: 506.472 ns/day 0.047 hours/ns 29.310 steps/s 2023-02-20 04:54:18,159 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 364200 72840 59.356 -33576 6505.5 -40081 -40081 10.836 6.7311 -0.36474 6.2415e+05 2023-02-20 04:54:20,095 INFO [main.py:643]
{rank 0/100} MD step = 364300 step time: 00:00:00.018061 Performance: 506.338 ns/day 0.047 hours/ns 29.302 steps/s 2023-02-20 04:54:21,682 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 60.257 -33659 6604.3 -40264 -40264 10.841 6.7319 -0.36326 6.243e+05 2023-02-20 04:54:24,420 INFO [main.py:643]
{rank 0/100} MD step = 364400 step time: 00:00:00.018113 Performance: 506.300 ns/day 0.047 hours/ns 29.300 steps/s 2023-02-20 04:54:25,754 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 60.422 -33461 6622.3 -40083 -40083 10.846 6.7338 -0.36376 6.2448e+05 2023-02-20 04:54:27,660 INFO [main.py:643]
{rank 0/100} MD step = 364500 step time: 00:00:00.018090 Performance: 506.307 ns/day 0.047 hours/ns 29.300 steps/s 2023-02-20 04:54:29,161 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 60.007 -33613 6576.9 -40189 -40189 10.85 6.7348 -0.36457 6.2466e+05 2023-02-20 04:54:30,997 INFO [main.py:643]
{rank 0/100} MD step = 364600 step time: 00:00:00.018028 Performance: 506.311 ns/day 0.047 hours/ns 29.300 steps/s 2023-02-20 04:54:32,445 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 60.433 -33456 6623.5 -40080 -40080 10.851 6.7342 -0.36639 6.2483e+05 2023-02-20 04:54:34,325 INFO [main.py:643]
{rank 0/100} MD step = 364700 step time: 00:00:00.018085 Performance: 506.314 ns/day 0.047 hours/ns 29.301 steps/s 2023-02-20 04:54:35,587 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 364700 72940 59.359 -33617 6505.8 -40123 -40123 10.856 6.7349 -0.3673 6.2499e+05 2023-02-20 04:54:37,480 INFO [main.py:643]
{rank 0/100} MD step = 364800 step time: 00:00:00.018060 Performance: 506.325 ns/day 0.047 hours/ns 29.301 steps/s 2023-02-20 04:54:38,895 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 59.064 -33709 6473.5 -40182 -40182 10.86 6.7353 -0.36799 6.2518e+05 2023-02-20 04:54:40,740 INFO [main.py:643]
{rank 0/100} MD step = 364900 step time: 00:00:00.018048 Performance: 506.331 ns/day 0.047 hours/ns 29.302 steps/s 2023-02-20 04:54:42,454 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 60.444 -33473 6624.7 -40098 -40098 10.864 6.737 -0.36773 6.2535e+05 2023-02-20 04:54:44,354 INFO [main.py:643]
{rank 0/100} MD step = 365000 step time: 00:00:00.018061 Performance: 506.323 ns/day 0.047 hours/ns 29.301 steps/s 2023-02-20 04:54:47,474 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 59.437 -33530 6514.3 -40045 -40045 10.869 6.7392 -0.36893 6.2552e+05 2023-02-20 04:54:49,400 INFO [main.py:643]
{rank 0/100} MD step = 365100 step time: 00:00:00.018129 Performance: 506.256 ns/day 0.047 hours/ns 29.297 steps/s 2023-02-20 04:54:56,452 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 365100 73020 60.155 -33571 6593.1 -40164 -40164 10.873 6.7402 -0.36993 6.2566e+05 2023-02-20 04:54:58,303 INFO [main.py:643]
{rank 0/100} MD step = 365200 step time: 00:00:00.018296 Performance: 506.033 ns/day 0.047 hours/ns 29.284 steps/s 2023-02-20 04:54:59,618 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 60.638 -33473 6646 -40119 -40119 10.876 6.7396 -0.37034 6.2583e+05 2023-02-20 04:55:01,867 INFO [main.py:643]
{rank 0/100} MD step = 365300 step time: 00:00:00.018215 Performance: 506.027 ns/day 0.047 hours/ns 29.284 steps/s 2023-02-20 04:55:05,374 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 59.145 -33561 6482.4 -40044 -40044 10.88 6.7393 -0.37054 6.26e+05 2023-02-20 04:55:07,731 INFO [main.py:643]
{rank 0/100} MD step = 365400 step time: 00:00:00.018053 Performance: 505.928 ns/day 0.047 hours/ns 29.278 steps/s 2023-02-20 04:55:09,024 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 365400 73080 60.264 -33500 6605 -40105 -40105 10.884 6.7408 -0.3713 6.2618e+05 2023-02-20 04:55:10,963 INFO [main.py:643]
{rank 0/100} MD step = 365500 step time: 00:00:00.018306 Performance: 505.935 ns/day 0.047 hours/ns 29.279 steps/s 2023-02-20 04:55:12,299 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 365500 73100 58.746 -33888 6438.7 -40327 -40327 10.888 6.7416 -0.37084 6.2632e+05 2023-02-20 04:55:14,447 INFO [main.py:643]
{rank 0/100} MD step = 365600 step time: 00:00:00.017961 Performance: 505.933 ns/day 0.047 hours/ns 29.279 steps/s 2023-02-20 04:55:15,760 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 59.683 -33564 6541.3 -40105 -40105 10.894 6.7428 -0.37172 6.2652e+05 2023-02-20 04:55:17,705 INFO [main.py:643]
{rank 0/100} MD step = 365700 step time: 00:00:00.018538 Performance: 505.939 ns/day 0.047 hours/ns 29.279 steps/s 2023-02-20 04:55:19,007 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 61.525 -33280 6743.2 -40023 -40023 10.897 6.744 -0.37193 6.2668e+05 2023-02-20 04:55:20,827 INFO [main.py:643]
{rank 0/100} MD step = 365800 step time: 00:00:00.018237 Performance: 505.951 ns/day 0.047 hours/ns 29.280 steps/s 2023-02-20 04:55:21,637 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 59.545 -33702 6526.2 -40228 -40228 10.899 6.7454 -0.3732 6.2685e+05 2023-02-20 04:55:23,958 INFO [main.py:643]
{rank 0/100} MD step = 365900 step time: 00:00:00.018287 Performance: 505.962 ns/day 0.047 hours/ns 29.280 steps/s 2023-02-20 04:55:25,149 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 59.773 -33517 6551.2 -40069 -40069 10.901 6.7448 -0.37511 6.2703e+05 2023-02-20 04:55:27,072 INFO [main.py:643]
{rank 0/100} MD step = 366000 step time: 00:00:00.018192 Performance: 505.975 ns/day 0.047 hours/ns 29.281 steps/s 2023-02-20 04:55:28,283 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 59.722 -33664 6545.6 -40210 -40210 10.905 6.7464 -0.37621 6.2718e+05 2023-02-20 04:55:30,192 INFO [main.py:643]
{rank 0/100} MD step = 366100 step time: 00:00:00.017904 Performance: 505.987 ns/day 0.047 hours/ns 29.282 steps/s 2023-02-20 04:55:31,474 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 59.57 -33549 6528.9 -40078 -40078 10.908 6.7484 -0.37884 6.2738e+05 2023-02-20 04:55:33,382 INFO [main.py:643]
{rank 0/100} MD step = 366200 step time: 00:00:00.018090 Performance: 505.996 ns/day 0.047 hours/ns 29.282 steps/s 2023-02-20 04:55:34,935 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 60.314 -33534 6610.5 -40144 -40144 10.912 6.7499 -0.37866 6.2753e+05 2023-02-20 04:55:36,793 INFO [main.py:643]
{rank 0/100} MD step = 366300 step time: 00:00:00.017919 Performance: 505.996 ns/day 0.047 hours/ns 29.282 steps/s 2023-02-20 04:55:38,077 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 60.713 -33489 6654.2 -40143 -40143 10.916 6.7518 -0.37654 6.277e+05 2023-02-20 04:55:39,962 INFO [main.py:643]
{rank 0/100} MD step = 366400 step time: 00:00:00.018066 Performance: 506.006 ns/day 0.047 hours/ns 29.283 steps/s 2023-02-20 04:55:41,202 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 60.214 -33512 6599.6 -40111 -40111 10.919 6.7518 -0.37386 6.2788e+05 2023-02-20 04:55:43,230 INFO [main.py:643]
{rank 0/100} MD step = 366500 step time: 00:00:00.018037 Performance: 506.012 ns/day 0.047 hours/ns 29.283 steps/s 2023-02-20 04:55:44,442 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 59.847 -33529 6559.3 -40089 -40089 10.925 6.7528 -0.37407 6.2805e+05 2023-02-20 04:55:46,378 INFO [main.py:643]
{rank 0/100} MD step = 366600 step time: 00:00:00.017904 Performance: 506.023 ns/day 0.047 hours/ns 29.284 steps/s 2023-02-20 04:55:47,716 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 60.363 -33541 6615.8 -40157 -40157 10.929 6.7528 -0.37537 6.2821e+05 2023-02-20 04:55:49,662 INFO [main.py:643]
{rank 0/100} MD step = 366700 step time: 00:00:00.018099 Performance: 506.028 ns/day 0.047 hours/ns 29.284 steps/s 2023-02-20 04:55:50,865 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 60.607 -33484 6642.6 -40127 -40127 10.933 6.7548 -0.37514 6.2841e+05 2023-02-20 04:55:52,785 INFO [main.py:643]
{rank 0/100} MD step = 366800 step time: 00:00:00.018124 Performance: 506.040 ns/day 0.047 hours/ns 29.285 steps/s 2023-02-20 04:55:54,023 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 59.08 -33692 6475.3 -40167 -40167 10.936 6.7583 -0.37427 6.2859e+05 2023-02-20 04:55:55,921 INFO [main.py:643]
{rank 0/100} MD step = 366900 step time: 00:00:00.018029 Performance: 506.051 ns/day 0.047 hours/ns 29.285 steps/s 2023-02-20 04:55:57,130 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 366900 73380 59.904 -33471 6565.5 -40036 -40036 10.941 6.7589 -0.37484 6.2877e+05 2023-02-20 04:55:59,132 INFO [main.py:643]
{rank 0/100} MD step = 367000 step time: 00:00:00.018014 Performance: 506.059 ns/day 0.047 hours/ns 29.286 steps/s 2023-02-20 04:56:00,487 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 59.587 -33552 6530.8 -40083 -40083 10.945 6.7608 -0.37582 6.2895e+05 2023-02-20 04:56:02,393 INFO [main.py:643]
{rank 0/100} MD step = 367100 step time: 00:00:00.018174 Performance: 506.065 ns/day 0.047 hours/ns 29.286 steps/s 2023-02-20 04:56:03,680 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 59.795 -33591 6553.6 -40145 -40145 10.948 6.7617 -0.37655 6.2912e+05 2023-02-20 04:56:05,771 INFO [main.py:643]
{rank 0/100} MD step = 367200 step time: 00:00:00.017874 Performance: 506.067 ns/day 0.047 hours/ns 29.286 steps/s 2023-02-20 04:56:07,103 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 59.561 -33525 6527.9 -40053 -40053 10.951 6.7616 -0.37591 6.2931e+05 2023-02-20 04:56:09,668 INFO [main.py:643]
{rank 0/100} MD step = 367300 step time: 00:00:00.018026 Performance: 506.047 ns/day 0.047 hours/ns 29.285 steps/s 2023-02-20 04:56:11,005 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 58.961 -33639 6462.2 -40101 -40101 10.954 6.7616 -0.37542 6.2949e+05 2023-02-20 04:56:12,846 INFO [main.py:643]
{rank 0/100} MD step = 367400 step time: 00:00:00.018105 Performance: 506.057 ns/day 0.047 hours/ns 29.286 steps/s 2023-02-20 04:56:14,063 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 59.548 -33553 6526.5 -40080 -40080 10.958 6.7627 -0.37448 6.2963e+05 2023-02-20 04:56:16,045 INFO [main.py:643]
{rank 0/100} MD step = 367500 step time: 00:00:00.018027 Performance: 506.066 ns/day 0.047 hours/ns 29.286 steps/s 2023-02-20 04:56:17,258 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 59.761 -33444 6549.8 -39994 -39994 10.962 6.7632 -0.37455 6.2981e+05 2023-02-20 04:56:19,191 INFO [main.py:643]
{rank 0/100} MD step = 367600 step time: 00:00:00.017946 Performance: 506.076 ns/day 0.047 hours/ns 29.287 steps/s 2023-02-20 04:56:20,446 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 59.118 -33578 6479.4 -40058 -40058 10.969 6.7631 -0.37572 6.2999e+05 2023-02-20 04:56:22,331 INFO [main.py:643]
{rank 0/100} MD step = 367700 step time: 00:00:00.018219 Performance: 506.087 ns/day 0.047 hours/ns 29.287 steps/s 2023-02-20 04:56:23,635 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 59.815 -33637 6555.8 -40193 -40193 10.971 6.764 -0.37623 6.3014e+05 2023-02-20 04:56:25,440 INFO [main.py:643]
{rank 0/100} MD step = 367800 step time: 00:00:00.018094 Performance: 506.100 ns/day 0.047 hours/ns 29.288 steps/s 2023-02-20 04:56:26,229 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 60.302 -33479 6609.2 -40089 -40089 10.975 6.7635 -0.37697 6.303e+05 2023-02-20 04:56:28,593 INFO [main.py:643]
{rank 0/100} MD step = 367900 step time: 00:00:00.017915 Performance: 506.110 ns/day 0.047 hours/ns 29.289 steps/s 2023-02-20 04:56:29,897 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 60.692 -33567 6651.9 -40219 -40219 10.981 6.764 -0.37657 6.3045e+05 2023-02-20 04:56:31,764 INFO [main.py:643]
{rank 0/100} MD step = 368000 step time: 00:00:00.017889 Performance: 506.120 ns/day 0.047 hours/ns 29.289 steps/s 2023-02-20 04:56:32,934 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 59.561 -33673 6528 -40201 -40201 10.986 6.7662 -0.3769 6.3062e+05 2023-02-20 04:56:34,838 INFO [main.py:643]
{rank 0/100} MD step = 368100 step time: 00:00:00.018163 Performance: 506.134 ns/day 0.047 hours/ns 29.290 steps/s 2023-02-20 04:56:36,208 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 60.417 -33437 6621.7 -40059 -40059 10.991 6.7673 -0.37549 6.3083e+05 2023-02-20 04:56:38,088 INFO [main.py:643]
{rank 0/100} MD step = 368200 step time: 00:00:00.018277 Performance: 506.140 ns/day 0.047 hours/ns 29.291 steps/s 2023-02-20 04:56:39,276 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 60.018 -33501 6578 -40079 -40079 10.996 6.7679 -0.37591 6.3101e+05 2023-02-20 04:56:41,276 INFO [main.py:643]
{rank 0/100} MD step = 368300 step time: 00:00:00.018513 Performance: 506.150 ns/day 0.047 hours/ns 29.291 steps/s 2023-02-20 04:56:42,430 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 59.981 -33550 6574 -40124 -40124 11 6.7685 -0.37434 6.3116e+05 2023-02-20 04:56:44,418 INFO [main.py:643]
{rank 0/100} MD step = 368400 step time: 00:00:00.019971 Performance: 506.160 ns/day 0.047 hours/ns 29.292 steps/s 2023-02-20 04:56:47,831 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 59.704 -33533 6543.7 -40076 -40076 11.006 6.7702 -0.3753 6.3135e+05 2023-02-20 04:56:49,705 INFO [main.py:643]
{rank 0/100} MD step = 368500 step time: 00:00:00.018012 Performance: 506.085 ns/day 0.047 hours/ns 29.287 steps/s 2023-02-20 04:56:50,906 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 368500 73700 60.605 -33502 6642.4 -40144 -40144 11.01 6.7699 -0.37658 6.315e+05 2023-02-20 04:56:52,855 INFO [main.py:643]
{rank 0/100} MD step = 368600 step time: 00:00:00.018406 Performance: 506.096 ns/day 0.047 hours/ns 29.288 steps/s 2023-02-20 04:56:55,524 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 60.413 -33532 6621.3 -40153 -40153 11.014 6.7722 -0.37589 6.3166e+05 2023-02-20 04:56:57,447 INFO [main.py:643]
{rank 0/100} MD step = 368700 step time: 00:00:00.017789 Performance: 506.048 ns/day 0.047 hours/ns 29.285 steps/s 2023-02-20 04:56:58,731 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 368700 73740 59.416 -33619 6512 -40131 -40131 11.018 6.7717 -0.37514 6.3183e+05 2023-02-20 04:57:00,622 INFO [main.py:643]
{rank 0/100} MD step = 368800 step time: 00:00:00.017931 Performance: 506.058 ns/day 0.047 hours/ns 29.286 steps/s 2023-02-20 04:57:01,843 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 59.715 -33477 6544.9 -40022 -40022 11.023 6.7751 -0.37622 6.3202e+05 2023-02-20 04:57:03,736 INFO [main.py:643]
{rank 0/100} MD step = 368900 step time: 00:00:00.018180 Performance: 506.070 ns/day 0.047 hours/ns 29.286 steps/s 2023-02-20 04:57:04,886 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 59.68 -33613 6541 -40154 -40154 11.029 6.777 -0.37393 6.3219e+05 2023-02-20 04:57:06,791 INFO [main.py:643]
{rank 0/100} MD step = 369000 step time: 00:00:00.018075 Performance: 506.085 ns/day 0.047 hours/ns 29.287 steps/s 2023-02-20 04:57:10,966 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 61.138 -33386 6700.8 -40086 -40086 11.034 6.7786 -0.37426 6.3238e+05 2023-02-20 04:57:12,776 INFO [main.py:643]
{rank 0/100} MD step = 369100 step time: 00:00:00.018010 Performance: 505.981 ns/day 0.047 hours/ns 29.281 steps/s 2023-02-20 04:57:14,250 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 60.443 -33541 6624.6 -40166 -40166 11.038 6.7804 -0.3745 6.3253e+05 2023-02-20 04:57:16,114 INFO [main.py:643]
{rank 0/100} MD step = 369200 step time: 00:00:00.018180 Performance: 505.984 ns/day 0.047 hours/ns 29.282 steps/s 2023-02-20 04:57:17,308 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 59.549 -33737 6526.6 -40264 -40264 11.042 6.781 -0.37472 6.3269e+05 2023-02-20 04:57:19,226 INFO [main.py:643]
{rank 0/100} MD step = 369300 step time: 00:00:00.018083 Performance: 505.997 ns/day 0.047 hours/ns 29.282 steps/s 2023-02-20 04:57:20,404 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 61.647 -33416 6756.6 -40173 -40173 11.048 6.7818 -0.37603 6.3287e+05 2023-02-20 04:57:22,313 INFO [main.py:643]
{rank 0/100} MD step = 369400 step time: 00:00:00.018113 Performance: 506.010 ns/day 0.047 hours/ns 29.283 steps/s 2023-02-20 04:57:23,080 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 60.183 -33364 6596.2 -39960 -39960 11.054 6.7832 -0.37534 6.3307e+05 2023-02-20 04:57:25,422 INFO [main.py:643]
{rank 0/100} MD step = 369500 step time: 00:00:00.018206 Performance: 506.022 ns/day 0.047 hours/ns 29.284 steps/s 2023-02-20 04:57:26,728 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 59.637 -33688 6536.3 -40224 -40224 11.061 6.7843 -0.37745 6.3318e+05 2023-02-20 04:57:28,605 INFO [main.py:643]
{rank 0/100} MD step = 369600 step time: 00:00:00.018324 Performance: 506.031 ns/day 0.047 hours/ns 29.284 steps/s 2023-02-20 04:57:29,902 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 369600 73920 60.783 -33514 6661.9 -40176 -40176 11.067 6.7835 -0.378 6.3337e+05 2023-02-20 04:57:31,754 INFO [main.py:643]
{rank 0/100} MD step = 369700 step time: 00:00:00.018093 Performance: 506.042 ns/day 0.047 hours/ns 29.285 steps/s 2023-02-20 04:57:32,575 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 369700 73940 60.845 -33400 6668.7 -40069 -40069 11.073 6.7838 -0.37764 6.3353e+05 2023-02-20 04:57:34,915 INFO [main.py:643]
{rank 0/100} MD step = 369800 step time: 00:00:00.018126 Performance: 506.052 ns/day 0.047 hours/ns 29.285 steps/s 2023-02-20 04:57:36,213 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 60.297 -33437 6608.6 -40046 -40046 11.076 6.7874 -0.37892 6.3372e+05 2023-02-20 04:57:38,115 INFO [main.py:643]
{rank 0/100} MD step = 369900 step time: 00:00:00.017937 Performance: 506.061 ns/day 0.047 hours/ns 29.286 steps/s 2023-02-20 04:57:39,451 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 369900 73980 59.726 -33663 6546.1 -40209 -40209 11.081 6.7887 -0.37866 6.3385e+05 2023-02-20 04:57:41,346 INFO [main.py:643]
{rank 0/100} MD step = 370000 step time: 00:00:00.018179 Performance: 506.068 ns/day 0.047 hours/ns 29.286 steps/s 2023-02-20 04:57:42,610 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 59.902 -33390 6565.4 -39955 -39955 11.085 6.7901 -0.37923 6.3407e+05 2023-02-20 04:57:44,503 INFO [main.py:643]
{rank 0/100} MD step = 370100 step time: 00:00:00.018074 Performance: 506.078 ns/day 0.047 hours/ns 29.287 steps/s 2023-02-20 04:57:48,646 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 60.984 -33466 6683.9 -40150 -40150 11.089 6.7921 -0.38045 6.3421e+05 2023-02-20 04:57:50,482 INFO [main.py:643]
{rank 0/100} MD step = 370200 step time: 00:00:00.018002 Performance: 505.976 ns/day 0.047 hours/ns 29.281 steps/s 2023-02-20 04:57:53,670 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 59.689 -33593 6542 -40135 -40135 11.092 6.7941 -0.38109 6.3441e+05 2023-02-20 04:57:56,154 INFO [main.py:643]
{rank 0/100} MD step = 370300 step time: 00:00:00.017947 Performance: 505.885 ns/day 0.047 hours/ns 29.276 steps/s 2023-02-20 04:57:57,705 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 59.518 -33662 6523.2 -40185 -40185 11.098 6.7973 -0.38151 6.3457e+05 2023-02-20 04:57:59,560 INFO [main.py:643]
{rank 0/100} MD step = 370400 step time: 00:00:00.018655 Performance: 505.886 ns/day 0.047 hours/ns 29.276 steps/s 2023-02-20 04:58:01,135 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 60.029 -33442 6579.2 -40021 -40021 11.103 6.7996 -0.3825 6.3476e+05 2023-02-20 04:58:03,002 INFO [main.py:643]
{rank 0/100} MD step = 370500 step time: 00:00:00.017968 Performance: 505.885 ns/day 0.047 hours/ns 29.276 steps/s 2023-02-20 04:58:04,344 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 60.412 -33522 6621.2 -40143 -40143 11.106 6.8014 -0.3825 6.3492e+05 2023-02-20 04:58:06,308 INFO [main.py:643]
{rank 0/100} MD step = 370600 step time: 00:00:00.018308 Performance: 505.889 ns/day 0.047 hours/ns 29.276 steps/s 2023-02-20 04:58:07,670 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 370600 74120 59.975 -33467 6573.4 -40040 -40040 11.113 6.8046 -0.38405 6.3508e+05 2023-02-20 04:58:09,576 INFO [main.py:643]
{rank 0/100} MD step = 370700 step time: 00:00:00.018010 Performance: 505.895 ns/day 0.047 hours/ns 29.276 steps/s 2023-02-20 04:58:10,395 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 60.172 -33541 6594.9 -40136 -40136 11.117 6.8068 -0.38519 6.3522e+05 2023-02-20 04:58:12,747 INFO [main.py:643]
{rank 0/100} MD step = 370800 step time: 00:00:00.018144 Performance: 505.905 ns/day 0.047 hours/ns 29.277 steps/s 2023-02-20 04:58:14,378 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 59.327 -33575 6502.3 -40077 -40077 11.122 6.8087 -0.38676 6.354e+05 2023-02-20 04:58:16,270 INFO [main.py:643]
{rank 0/100} MD step = 370900 step time: 00:00:00.018491 Performance: 505.901 ns/day 0.047 hours/ns 29.277 steps/s 2023-02-20 04:58:17,187 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 59.951 -33723 6570.7 -40294 -40294 11.126 6.8098 -0.38629 6.3555e+05 2023-02-20 04:58:19,619 INFO [main.py:643]
{rank 0/100} MD step = 371000 step time: 00:00:00.017894 Performance: 505.903 ns/day 0.047 hours/ns 29.277 steps/s 2023-02-20 04:58:21,061 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 371000 74200 60.289 -33356 6607.8 -39964 -39964 11.131 6.8102 -0.38682 6.3578e+05 2023-02-20 04:58:22,930 INFO [main.py:643]
{rank 0/100} MD step = 371100 step time: 00:00:00.018086 Performance: 505.907 ns/day 0.047 hours/ns 29.277 steps/s 2023-02-20 04:58:24,115 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 61.038 -33355 6689.9 -40045 -40045 11.137 6.811 -0.38767 6.3592e+05 2023-02-20 04:58:26,201 INFO [main.py:643]
{rank 0/100} MD step = 371200 step time: 00:00:00.018256 Performance: 505.913 ns/day 0.047 hours/ns 29.277 steps/s 2023-02-20 04:58:27,447 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 59.536 -33605 6525.2 -40131 -40131 11.141 6.8118 -0.38844 6.361e+05 2023-02-20 04:58:29,457 INFO [main.py:643]
{rank 0/100} MD step = 371300 step time: 00:00:00.017847 Performance: 505.920 ns/day 0.047 hours/ns 29.278 steps/s 2023-02-20 04:58:30,895 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 371300 74260 59.048 -33589 6471.7 -40060 -40060 11.149 6.8147 -0.38998 6.3628e+05 2023-02-20 04:58:32,757 INFO [main.py:643]
{rank 0/100} MD step = 371400 step time: 00:00:00.017945 Performance: 505.924 ns/day 0.047 hours/ns 29.278 steps/s 2023-02-20 04:58:34,065 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 59.777 -33592 6551.6 -40144 -40144 11.152 6.8161 -0.39259 6.3639e+05 2023-02-20 04:58:35,914 INFO [main.py:643]
{rank 0/100} MD step = 371500 step time: 00:00:00.018341 Performance: 505.934 ns/day 0.047 hours/ns 29.279 steps/s 2023-02-20 04:58:37,133 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 60.035 -33627 6579.9 -40207 -40207 11.156 6.8165 -0.39473 6.3654e+05 2023-02-20 04:58:39,080 INFO [main.py:643]
{rank 0/100} MD step = 371600 step time: 00:00:00.018219 Performance: 505.944 ns/day 0.047 hours/ns 29.279 steps/s 2023-02-20 04:58:40,377 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 60.536 -33516 6634.9 -40150 -40150 11.159 6.8192 -0.39475 6.3672e+05 2023-02-20 04:58:42,252 INFO [main.py:643]
{rank 0/100} MD step = 371700 step time: 00:00:00.018268 Performance: 505.954 ns/day 0.047 hours/ns 29.280 steps/s 2023-02-20 04:58:43,541 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 59.584 -33698 6530.5 -40228 -40228 11.162 6.8213 -0.39366 6.3688e+05 2023-02-20 04:58:45,529 INFO [main.py:643]
{rank 0/100} MD step = 371800 step time: 00:00:00.018112 Performance: 505.960 ns/day 0.047 hours/ns 29.280 steps/s 2023-02-20 04:58:46,921 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 60.147 -33604 6592.2 -40196 -40196 11.166 6.8243 -0.39172 6.3709e+05 2023-02-20 04:58:48,800 INFO [main.py:643]
{rank 0/100} MD step = 371900 step time: 00:00:00.018041 Performance: 505.965 ns/day 0.047 hours/ns 29.280 steps/s 2023-02-20 04:58:50,396 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 59.547 -33549 6526.4 -40075 -40075 11.173 6.8251 -0.39307 6.3722e+05 2023-02-20 04:58:52,254 INFO [main.py:643]
{rank 0/100} MD step = 372000 step time: 00:00:00.018084 Performance: 505.964 ns/day 0.047 hours/ns 29.280 steps/s 2023-02-20 04:58:53,621 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 59.509 -33558 6522.2 -40080 -40080 11.174 6.8265 -0.39249 6.3743e+05 2023-02-20 04:58:55,418 INFO [main.py:643]
{rank 0/100} MD step = 372100 step time: 00:00:00.017955 Performance: 505.974 ns/day 0.047 hours/ns 29.281 steps/s 2023-02-20 04:58:56,244 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 58.873 -33627 6452.6 -40080 -40080 11.178 6.8279 -0.39257 6.376e+05 2023-02-20 04:58:58,548 INFO [main.py:643]
{rank 0/100} MD step = 372200 step time: 00:00:00.018221 Performance: 505.985 ns/day 0.047 hours/ns 29.282 steps/s 2023-02-20 04:58:59,926 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 372200 74440 60.072 -33570 6583.9 -40154 -40154 11.183 6.8287 -0.39212 6.3778e+05 2023-02-20 04:59:01,854 INFO [main.py:643]
{rank 0/100} MD step = 372300 step time: 00:00:00.018444 Performance: 505.990 ns/day 0.047 hours/ns 29.282 steps/s 2023-02-20 04:59:03,257 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 60.612 -33508 6643.2 -40151 -40151 11.186 6.8302 -0.39184 6.3792e+05 2023-02-20 04:59:05,070 INFO [main.py:643]
{rank 0/100} MD step = 372400 step time: 00:00:00.018303 Performance: 505.998 ns/day 0.047 hours/ns 29.282 steps/s 2023-02-20 04:59:06,458 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 59.897 -33548 6564.7 -40113 -40113 11.189 6.8303 -0.39092 6.381e+05 2023-02-20 04:59:08,294 INFO [main.py:643]
{rank 0/100} MD step = 372500 step time: 00:00:00.018001 Performance: 506.005 ns/day 0.047 hours/ns 29.283 steps/s 2023-02-20 04:59:09,775 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 59.905 -33487 6565.7 -40053 -40053 11.193 6.8319 -0.39046 6.3826e+05 2023-02-20 04:59:11,618 INFO [main.py:643]
{rank 0/100} MD step = 372600 step time: 00:00:00.018157 Performance: 506.009 ns/day 0.047 hours/ns 29.283 steps/s 2023-02-20 04:59:12,906 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 60.632 -33476 6645.3 -40121 -40121 11.197 6.833 -0.38989 6.3843e+05 2023-02-20 04:59:14,729 INFO [main.py:643]
{rank 0/100} MD step = 372700 step time: 00:00:00.018146 Performance: 506.021 ns/day 0.047 hours/ns 29.284 steps/s 2023-02-20 04:59:16,062 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 372700 74540 60.08 -33611 6584.9 -40196 -40196 11.201 6.8341 -0.38859 6.3857e+05 2023-02-20 04:59:17,959 INFO [main.py:643]
{rank 0/100} MD step = 372800 step time: 00:00:00.020820 Performance: 506.028 ns/day 0.047 hours/ns 29.284 steps/s 2023-02-20 04:59:19,429 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 59.822 -33636 6556.5 -40193 -40193 11.207 6.8355 -0.38804 6.3875e+05 2023-02-20 04:59:21,279 INFO [main.py:643]
{rank 0/100} MD step = 372900 step time: 00:00:00.018491 Performance: 506.032 ns/day 0.047 hours/ns 29.284 steps/s 2023-02-20 04:59:22,042 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 59.497 -33583 6521 -40104 -40104 11.21 6.8368 -0.38772 6.3892e+05 2023-02-20 04:59:24,365 INFO [main.py:643]
{rank 0/100} MD step = 373000 step time: 00:00:00.017855 Performance: 506.045 ns/day 0.047 hours/ns 29.285 steps/s 2023-02-20 04:59:25,509 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 59.433 -33569 6514 -40083 -40083 11.216 6.8387 -0.38768 6.3908e+05 2023-02-20 04:59:27,491 INFO [main.py:643]
{rank 0/100} MD step = 373100 step time: 00:00:00.017968 Performance: 506.056 ns/day 0.047 hours/ns 29.286 steps/s 2023-02-20 04:59:28,618 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 59.835 -33592 6558 -40150 -40150 11.222 6.8404 -0.38612 6.3926e+05 2023-02-20 04:59:30,596 INFO [main.py:643]
{rank 0/100} MD step = 373200 step time: 00:00:00.017932 Performance: 506.069 ns/day 0.047 hours/ns 29.286 steps/s 2023-02-20 04:59:32,023 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 60.128 -33649 6590.1 -40239 -40239 11.227 6.842 -0.38413 6.3944e+05 2023-02-20 04:59:33,940 INFO [main.py:643]
{rank 0/100} MD step = 373300 step time: 00:00:00.018168 Performance: 506.072 ns/day 0.047 hours/ns 29.287 steps/s 2023-02-20 04:59:35,236 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 373300 74660 59.494 -33504 6520.6 -40025 -40025 11.233 6.8431 -0.38353 6.3964e+05 2023-02-20 04:59:37,105 INFO [main.py:643]
{rank 0/100} MD step = 373400 step time: 00:00:00.018151 Performance: 506.081 ns/day 0.047 hours/ns 29.287 steps/s 2023-02-20 04:59:38,401 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 60.256 -33580 6604.2 -40184 -40184 11.237 6.8437 -0.38238 6.3981e+05 2023-02-20 04:59:40,218 INFO [main.py:643]
{rank 0/100} MD step = 373500 step time: 00:00:00.018292 Performance: 506.093 ns/day 0.047 hours/ns 29.288 steps/s 2023-02-20 04:59:41,481 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 373500 74700 60.125 -33580 6589.8 -40169 -40169 11.243 6.8446 -0.38182 6.3999e+05 2023-02-20 04:59:43,502 INFO [main.py:643]
{rank 0/100} MD step = 373600 step time: 00:00:00.018052 Performance: 506.099 ns/day 0.047 hours/ns 29.288 steps/s 2023-02-20 04:59:44,845 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 59.432 -33611 6513.8 -40125 -40125 11.247 6.8471 -0.38337 6.4018e+05 2023-02-20 04:59:46,742 INFO [main.py:643]
{rank 0/100} MD step = 373700 step time: 00:00:00.018156 Performance: 506.105 ns/day 0.047 hours/ns 29.289 steps/s 2023-02-20 04:59:48,126 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 59.65 -33559 6537.7 -40097 -40097 11.252 6.8482 -0.38324 6.4036e+05 2023-02-20 04:59:49,938 INFO [main.py:643]
{rank 0/100} MD step = 373800 step time: 00:00:00.018012 Performance: 506.114 ns/day 0.047 hours/ns 29.289 steps/s 2023-02-20 04:59:51,249 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 59.5 -33549 6521.3 -40070 -40070 11.257 6.8487 -0.38497 6.4053e+05 2023-02-20 04:59:53,128 INFO [main.py:643]
{rank 0/100} MD step = 373900 step time: 00:00:00.017931 Performance: 506.123 ns/day 0.047 hours/ns 29.290 steps/s 2023-02-20 04:59:54,421 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 59.998 -33461 6575.9 -40037 -40037 11.262 6.8511 -0.38383 6.4072e+05 2023-02-20 04:59:56,282 INFO [main.py:643]
{rank 0/100} MD step = 374000 step time: 00:00:00.018107 Performance: 506.133 ns/day 0.047 hours/ns 29.290 steps/s 2023-02-20 04:59:57,630 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 374000 74800 59.297 -33553 6499 -40052 -40052 11.268 6.8535 -0.38368 6.4089e+05 2023-02-20 04:59:59,567 INFO [main.py:643]
{rank 0/100} MD step = 374100 step time: 00:00:00.018939 Performance: 506.138 ns/day 0.047 hours/ns 29.290 steps/s 2023-02-20 05:00:01,365 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 60.152 -33510 6592.7 -40103 -40103 11.274 6.8561 -0.38391 6.4105e+05 2023-02-20 05:00:03,307 INFO [main.py:643]
{rank 0/100} MD step = 374200 step time: 00:00:00.017983 Performance: 506.126 ns/day 0.047 hours/ns 29.290 steps/s 2023-02-20 05:00:04,611 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 59.867 -33642 6561.5 -40204 -40204 11.279 6.8584 -0.38305 6.4121e+05 2023-02-20 05:00:06,462 INFO [main.py:643]
{rank 0/100} MD step = 374300 step time: 00:00:00.018144 Performance: 506.136 ns/day 0.047 hours/ns 29.290 steps/s 2023-02-20 05:00:07,775 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 374300 74860 59.776 -33558 6551.5 -40110 -40110 11.286 6.8592 -0.38311 6.4139e+05 2023-02-20 05:00:09,651 INFO [main.py:643]
{rank 0/100} MD step = 374400 step time: 00:00:00.018179 Performance: 506.145 ns/day 0.047 hours/ns 29.291 steps/s 2023-02-20 05:00:10,981 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 60.427 -33465 6622.9 -40088 -40088 11.29 6.8617 -0.38299 6.4158e+05 2023-02-20 05:00:12,821 INFO [main.py:643]
{rank 0/100} MD step = 374500 step time: 00:00:00.018026 Performance: 506.154 ns/day 0.047 hours/ns 29.291 steps/s 2023-02-20 05:00:14,274 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 59.079 -33559 6475.1 -40034 -40034 11.296 6.8646 -0.38358 6.4174e+05 2023-02-20 05:00:16,240 INFO [main.py:643]
{rank 0/100} MD step = 374600 step time: 00:00:00.018007 Performance: 506.154 ns/day 0.047 hours/ns 29.291 steps/s 2023-02-20 05:00:17,508 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 60.072 -33515 6583.9 -40099 -40099 11.3 6.8683 -0.38305 6.4191e+05 2023-02-20 05:00:19,419 INFO [main.py:643]
{rank 0/100} MD step = 374700 step time: 00:00:00.018117 Performance: 506.164 ns/day 0.047 hours/ns 29.292 steps/s 2023-02-20 05:00:20,704 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 60.049 -33485 6581.5 -40067 -40067 11.305 6.8684 -0.3825 6.4207e+05 2023-02-20 05:00:22,552 INFO [main.py:643]
{rank 0/100} MD step = 374800 step time: 00:00:00.018196 Performance: 506.175 ns/day 0.047 hours/ns 29.293 steps/s 2023-02-20 05:00:23,939 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 59.401 -33666 6510.4 -40177 -40177 11.311 6.8709 -0.38265 6.4221e+05 2023-02-20 05:00:25,751 INFO [main.py:643]
{rank 0/100} MD step = 374900 step time: 00:00:00.018155 Performance: 506.183 ns/day 0.047 hours/ns 29.293 steps/s 2023-02-20 05:00:27,095 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 59.637 -33488 6536.3 -40024 -40024 11.314 6.8715 -0.38319 6.4236e+05 2023-02-20 05:00:28,914 INFO [main.py:643]
{rank 0/100} MD step = 375000 step time: 00:00:00.017967 Performance: 506.193 ns/day 0.047 hours/ns 29.294 steps/s 2023-02-20 05:00:30,077 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 59.732 -33479 6546.7 -40025 -40025 11.319 6.873 -0.38305 6.4252e+05 2023-02-20 05:00:32,149 INFO [main.py:643]
{rank 0/100} MD step = 375100 step time: 00:00:00.018631 Performance: 506.200 ns/day 0.047 hours/ns 29.294 steps/s 2023-02-20 05:00:33,398 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 59.084 -33688 6475.7 -40163 -40163 11.324 6.8735 -0.38292 6.4269e+05 2023-02-20 05:00:35,417 INFO [main.py:643]
{rank 0/100} MD step = 375200 step time: 00:00:00.018391 Performance: 506.206 ns/day 0.047 hours/ns 29.294 steps/s 2023-02-20 05:00:36,757 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 59.496 -33656 6520.8 -40176 -40176 11.329 6.8744 -0.38372 6.4286e+05 2023-02-20 05:00:38,650 INFO [main.py:643]
{rank 0/100} MD step = 375300 step time: 00:00:00.017979 Performance: 506.213 ns/day 0.047 hours/ns 29.295 steps/s 2023-02-20 05:00:39,861 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 60.326 -33486 6611.8 -40098 -40098 11.334 6.8745 -0.38293 6.4302e+05 2023-02-20 05:00:41,890 INFO [main.py:643]
{rank 0/100} MD step = 375400 step time: 00:00:00.018189 Performance: 506.220 ns/day 0.047 hours/ns 29.295 steps/s 2023-02-20 05:00:43,170 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 59.535 -33614 6525.1 -40139 -40139 11.337 6.8769 -0.38357 6.432e+05 2023-02-20 05:00:45,063 INFO [main.py:643]
{rank 0/100} MD step = 375500 step time: 00:00:00.017997 Performance: 506.229 ns/day 0.047 hours/ns 29.296 steps/s 2023-02-20 05:00:46,225 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 59.868 -33610 6561.6 -40171 -40171 11.34 6.8786 -0.38389 6.4336e+05 2023-02-20 05:00:48,191 INFO [main.py:643]
{rank 0/100} MD step = 375600 step time: 00:00:00.018036 Performance: 506.241 ns/day 0.047 hours/ns 29.296 steps/s 2023-02-20 05:00:49,485 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 60.206 -33563 6598.7 -40162 -40162 11.345 6.8794 -0.38438 6.4354e+05 2023-02-20 05:00:51,370 INFO [main.py:643]
{rank 0/100} MD step = 375700 step time: 00:00:00.018054 Performance: 506.250 ns/day 0.047 hours/ns 29.297 steps/s 2023-02-20 05:00:52,633 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 375700 75140 60.113 -33536 6588.5 -40125 -40125 11.349 6.8804 -0.38462 6.4374e+05 2023-02-20 05:00:54,537 INFO [main.py:643]
{rank 0/100} MD step = 375800 step time: 00:00:00.017951 Performance: 506.260 ns/day 0.047 hours/ns 29.297 steps/s 2023-02-20 05:00:55,815 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 375800 75160 59.487 -33588 6519.9 -40108 -40108 11.353 6.882 -0.38395 6.4392e+05 2023-02-20 05:00:57,679 INFO [main.py:643]
{rank 0/100} MD step = 375900 step time: 00:00:00.018096 Performance: 506.270 ns/day 0.047 hours/ns 29.298 steps/s 2023-02-20 05:00:58,849 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 60.43 -33559 6623.2 -40182 -40182 11.358 6.8842 -0.3835 6.4408e+05 2023-02-20 05:01:00,763 INFO [main.py:643]
{rank 0/100} MD step = 376000 step time: 00:00:00.017894 Performance: 506.283 ns/day 0.047 hours/ns 29.299 steps/s 2023-02-20 05:01:02,238 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 59.881 -33585 6563.1 -40148 -40148 11.363 6.885 -0.38397 6.4425e+05 2023-02-20 05:01:04,151 INFO [main.py:643]
{rank 0/100} MD step = 376100 step time: 00:00:00.018112 Performance: 506.284 ns/day 0.047 hours/ns 29.299 steps/s 2023-02-20 05:01:05,335 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 59.078 -33691 6475 -40166 -40166 11.367 6.8853 -0.38468 6.4442e+05 2023-02-20 05:01:07,300 INFO [main.py:643]
{rank 0/100} MD step = 376200 step time: 00:00:00.018338 Performance: 506.295 ns/day 0.047 hours/ns 29.299 steps/s 2023-02-20 05:01:08,712 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 58.958 -33660 6461.9 -40122 -40122 11.372 6.8879 -0.38488 6.4459e+05 2023-02-20 05:01:10,543 INFO [main.py:643]
{rank 0/100} MD step = 376300 step time: 00:00:00.018120 Performance: 506.301 ns/day 0.047 hours/ns 29.300 steps/s 2023-02-20 05:01:11,847 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 60.17 -33508 6594.7 -40103 -40103 11.377 6.8896 -0.38566 6.4477e+05 2023-02-20 05:01:13,954 INFO [main.py:643]
{rank 0/100} MD step = 376400 step time: 00:00:00.018554 Performance: 506.301 ns/day 0.047 hours/ns 29.300 steps/s 2023-02-20 05:01:15,254 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 60.315 -33462 6610.6 -40072 -40072 11.381 6.8929 -0.38598 6.4495e+05 2023-02-20 05:01:17,120 INFO [main.py:643]
{rank 0/100} MD step = 376500 step time: 00:00:00.017929 Performance: 506.311 ns/day 0.047 hours/ns 29.300 steps/s 2023-02-20 05:01:18,504 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 60.345 -33511 6613.9 -40125 -40125 11.386 6.8938 -0.38882 6.4516e+05 2023-02-20 05:01:20,456 INFO [main.py:643]
{rank 0/100} MD step = 376600 step time: 00:00:00.018009 Performance: 506.314 ns/day 0.047 hours/ns 29.301 steps/s 2023-02-20 05:01:21,724 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 60.822 -33577 6666.2 -40244 -40244 11.391 6.8947 -0.38787 6.4529e+05 2023-02-20 05:01:23,829 INFO [main.py:643]
{rank 0/100} MD step = 376700 step time: 00:00:00.036273 Performance: 506.316 ns/day 0.047 hours/ns 29.301 steps/s 2023-02-20 05:01:25,276 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 60.53 -33448 6634.2 -40082 -40082 11.396 6.8961 -0.38635 6.4548e+05 2023-02-20 05:01:27,123 INFO [main.py:643]
{rank 0/100} MD step = 376800 step time: 00:00:00.018095 Performance: 506.320 ns/day 0.047 hours/ns 29.301 steps/s 2023-02-20 05:01:28,357 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 376800 75360 60.039 -33594 6580.4 -40174 -40174 11.401 6.8975 -0.38666 6.4567e+05 2023-02-20 05:01:30,254 INFO [main.py:643]
{rank 0/100} MD step = 376900 step time: 00:00:00.018393 Performance: 506.332 ns/day 0.047 hours/ns 29.302 steps/s 2023-02-20 05:01:31,576 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 59.593 -33588 6531.5 -40120 -40120 11.408 6.9002 -0.38528 6.4583e+05 2023-02-20 05:01:33,427 INFO [main.py:643]
{rank 0/100} MD step = 377000 step time: 00:00:00.018262 Performance: 506.341 ns/day 0.047 hours/ns 29.302 steps/s 2023-02-20 05:01:34,652 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 60.627 -33472 6644.7 -40117 -40117 11.413 6.9014 -0.38588 6.4601e+05 2023-02-20 05:01:36,630 INFO [main.py:643]
{rank 0/100} MD step = 377100 step time: 00:00:00.018043 Performance: 506.349 ns/day 0.047 hours/ns 29.303 steps/s 2023-02-20 05:01:37,830 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 377100 75420 60.228 -33535 6601.1 -40137 -40137 11.417 6.9027 -0.38724 6.462e+05 2023-02-20 05:01:39,830 INFO [main.py:643]
{rank 0/100} MD step = 377200 step time: 00:00:00.018000 Performance: 506.358 ns/day 0.047 hours/ns 29.303 steps/s 2023-02-20 05:01:41,139 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 60.446 -33471 6625 -40096 -40096 11.422 6.9051 -0.38707 6.464e+05 2023-02-20 05:01:43,118 INFO [main.py:643]
{rank 0/100} MD step = 377300 step time: 00:00:00.017896 Performance: 506.363 ns/day 0.047 hours/ns 29.303 steps/s 2023-02-20 05:01:44,291 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 59.168 -33573 6484.9 -40058 -40058 11.426 6.9052 -0.38697 6.4661e+05 2023-02-20 05:01:46,265 INFO [main.py:643]
{rank 0/100} MD step = 377400 step time: 00:00:00.017961 Performance: 506.373 ns/day 0.047 hours/ns 29.304 steps/s 2023-02-20 05:01:47,931 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 60.186 -33486 6596.4 -40082 -40082 11.431 6.9061 -0.38826 6.4677e+05 2023-02-20 05:01:49,830 INFO [main.py:643]
{rank 0/100} MD step = 377500 step time: 00:00:00.018424 Performance: 506.367 ns/day 0.047 hours/ns 29.304 steps/s 2023-02-20 05:01:51,192 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 60.111 -33488 6588.2 -40076 -40076 11.433 6.908 -0.38701 6.4693e+05 2023-02-20 05:01:52,994 INFO [main.py:643]
{rank 0/100} MD step = 377600 step time: 00:00:00.018272 Performance: 506.377 ns/day 0.047 hours/ns 29.304 steps/s 2023-02-20 05:01:54,211 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 60.026 -33496 6579 -40075 -40075 11.437 6.9107 -0.38588 6.4709e+05 2023-02-20 05:01:56,152 INFO [main.py:643]
{rank 0/100} MD step = 377700 step time: 00:00:00.017982 Performance: 506.387 ns/day 0.047 hours/ns 29.305 steps/s 2023-02-20 05:02:01,009 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 59.651 -33530 6537.8 -40068 -40068 11.442 6.9119 -0.38482 6.4724e+05 2023-02-20 05:02:02,929 INFO [main.py:643]
{rank 0/100} MD step = 377800 step time: 00:00:00.018409 Performance: 506.255 ns/day 0.047 hours/ns 29.297 steps/s 2023-02-20 05:02:04,179 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 59.632 -33628 6535.8 -40164 -40164 11.446 6.9137 -0.38461 6.4741e+05 2023-02-20 05:02:06,066 INFO [main.py:643]
{rank 0/100} MD step = 377900 step time: 00:00:00.018108 Performance: 506.265 ns/day 0.047 hours/ns 29.298 steps/s 2023-02-20 05:02:07,579 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 377900 75580 60.057 -33606 6582.3 -40188 -40188 11.449 6.9139 -0.38462 6.4759e+05 2023-02-20 05:02:09,444 INFO [main.py:643]
{rank 0/100} MD step = 378000 step time: 00:00:00.018184 Performance: 506.267 ns/day 0.047 hours/ns 29.298 steps/s 2023-02-20 05:02:10,910 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 59.837 -33572 6558.2 -40130 -40130 11.451 6.9154 -0.38526 6.4776e+05 2023-02-20 05:02:12,794 INFO [main.py:643]
{rank 0/100} MD step = 378100 step time: 00:00:00.018059 Performance: 506.269 ns/day 0.047 hours/ns 29.298 steps/s 2023-02-20 05:02:14,067 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 60.485 -33452 6629.2 -40081 -40081 11.456 6.917 -0.38551 6.4797e+05 2023-02-20 05:02:15,952 INFO [main.py:643]
{rank 0/100} MD step = 378200 step time: 00:00:00.019528 Performance: 506.279 ns/day 0.047 hours/ns 29.299 steps/s 2023-02-20 05:02:17,258 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 59.53 -33576 6524.6 -40100 -40100 11.46 6.9193 -0.38736 6.4813e+05 2023-02-20 05:02:19,203 INFO [main.py:643]
{rank 0/100} MD step = 378300 step time: 00:00:00.018080 Performance: 506.286 ns/day 0.047 hours/ns 29.299 steps/s 2023-02-20 05:02:20,637 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 59.456 -33758 6516.5 -40275 -40275 11.46 6.9217 -0.38707 6.483e+05 2023-02-20 05:02:22,538 INFO [main.py:643]
{rank 0/100} MD step = 378400 step time: 00:00:00.018071 Performance: 506.289 ns/day 0.047 hours/ns 29.299 steps/s 2023-02-20 05:02:23,960 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 378400 75680 59.727 -33652 6546.1 -40198 -40198 11.462 6.923 -0.38742 6.4847e+05 2023-02-20 05:02:25,903 INFO [main.py:643]
{rank 0/100} MD step = 378500 step time: 00:00:00.018232 Performance: 506.291 ns/day 0.047 hours/ns 29.299 steps/s 2023-02-20 05:02:27,175 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 59.172 -33746 6485.4 -40232 -40232 11.466 6.9241 -0.38699 6.4863e+05 2023-02-20 05:02:29,076 INFO [main.py:643]
{rank 0/100} MD step = 378600 step time: 00:00:00.018290 Performance: 506.300 ns/day 0.047 hours/ns 29.300 steps/s 2023-02-20 05:02:30,365 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 60.662 -33496 6648.6 -40144 -40144 11.471 6.9236 -0.38572 6.4881e+05 2023-02-20 05:02:32,162 INFO [main.py:643]
{rank 0/100} MD step = 378700 step time: 00:00:00.018193 Performance: 506.313 ns/day 0.047 hours/ns 29.301 steps/s 2023-02-20 05:02:33,042 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 59.842 -33553 6558.8 -40112 -40112 11.472 6.9236 -0.38574 6.4897e+05 2023-02-20 05:02:35,378 INFO [main.py:643]
{rank 0/100} MD step = 378800 step time: 00:00:00.017922 Performance: 506.321 ns/day 0.047 hours/ns 29.301 steps/s 2023-02-20 05:02:36,644 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 60.024 -33551 6578.7 -40130 -40130 11.473 6.9248 -0.38685 6.4911e+05 2023-02-20 05:02:38,582 INFO [main.py:643]
{rank 0/100} MD step = 378900 step time: 00:00:00.018636 Performance: 506.329 ns/day 0.047 hours/ns 29.301 steps/s 2023-02-20 05:02:39,831 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 60.382 -33493 6618 -40111 -40111 11.477 6.9267 -0.38661 6.4931e+05 2023-02-20 05:02:41,682 INFO [main.py:643]
{rank 0/100} MD step = 379000 step time: 00:00:00.018162 Performance: 506.341 ns/day 0.047 hours/ns 29.302 steps/s 2023-02-20 05:02:42,961 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 60.251 -33539 6603.5 -40143 -40143 11.479 6.9292 -0.3861 6.4943e+05 2023-02-20 05:02:44,826 INFO [main.py:643]
{rank 0/100} MD step = 379100 step time: 00:00:00.018158 Performance: 506.352 ns/day 0.047 hours/ns 29.303 steps/s 2023-02-20 05:02:46,098 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 59.984 -33476 6574.3 -40050 -40050 11.483 6.9295 -0.38627 6.4966e+05 2023-02-20 05:02:48,009 INFO [main.py:643]
{rank 0/100} MD step = 379200 step time: 00:00:00.018494 Performance: 506.360 ns/day 0.047 hours/ns 29.303 steps/s 2023-02-20 05:02:49,280 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 379200 75840 60.531 -33567 6634.3 -40201 -40201 11.487 6.9312 -0.38471 6.4982e+05 2023-02-20 05:02:51,139 INFO [main.py:643]
{rank 0/100} MD step = 379300 step time: 00:00:00.017968 Performance: 506.372 ns/day 0.047 hours/ns 29.304 steps/s 2023-02-20 05:02:52,490 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 379300 75860 60.315 -33468 6610.6 -40079 -40079 11.49 6.9332 -0.38437 6.5002e+05 2023-02-20 05:02:54,325 INFO [main.py:643]
{rank 0/100} MD step = 379400 step time: 00:00:00.018043 Performance: 506.380 ns/day 0.047 hours/ns 29.304 steps/s 2023-02-20 05:02:55,702 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 60.036 -33527 6580 -40107 -40107 11.493 6.9336 -0.38388 6.5015e+05 2023-02-20 05:02:57,505 INFO [main.py:643]
{rank 0/100} MD step = 379500 step time: 00:00:00.019214 Performance: 506.389 ns/day 0.047 hours/ns 29.305 steps/s 2023-02-20 05:02:58,777 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 59.32 -33621 6501.6 -40123 -40123 11.496 6.9345 -0.38375 6.5028e+05 2023-02-20 05:03:00,636 INFO [main.py:643]
{rank 0/100} MD step = 379600 step time: 00:00:00.018181 Performance: 506.401 ns/day 0.047 hours/ns 29.306 steps/s 2023-02-20 05:03:01,890 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 60.371 -33403 6616.7 -40020 -40020 11.499 6.9353 -0.38377 6.5048e+05 2023-02-20 05:03:03,789 INFO [main.py:643]
{rank 0/100} MD step = 379700 step time: 00:00:00.018185 Performance: 506.411 ns/day 0.047 hours/ns 29.306 steps/s 2023-02-20 05:03:05,405 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 60.496 -33588 6630.4 -40218 -40218 11.501 6.9378 -0.3833 6.5061e+05 2023-02-20 05:03:07,221 INFO [main.py:643]
{rank 0/100} MD step = 379800 step time: 00:00:00.020050 Performance: 506.410 ns/day 0.047 hours/ns 29.306 steps/s 2023-02-20 05:03:08,592 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 60.23 -33493 6601.3 -40095 -40095 11.504 6.939 -0.38433 6.5077e+05 2023-02-20 05:03:10,454 INFO [main.py:643]
{rank 0/100} MD step = 379900 step time: 00:00:00.018073 Performance: 506.417 ns/day 0.047 hours/ns 29.307 steps/s 2023-02-20 05:03:11,668 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 58.992 -33503 6465.6 -39968 -39968 11.508 6.9404 -0.38538 6.5097e+05 2023-02-20 05:03:13,571 INFO [main.py:643]
{rank 0/100} MD step = 380000 step time: 00:00:00.017935 Performance: 506.428 ns/day 0.047 hours/ns 29.307 steps/s 2023-02-20 05:03:14,885 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 60.463 -33441 6626.8 -40068 -40068 11.513 6.9426 -0.38475 6.5115e+05 2023-02-20 05:03:16,863 INFO [main.py:643]
{rank 0/100} MD step = 380100 step time: 00:00:00.018066 Performance: 506.433 ns/day 0.047 hours/ns 29.307 steps/s 2023-02-20 05:03:18,030 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 59.912 -33530 6566.5 -40096 -40096 11.516 6.9444 -0.38497 6.5131e+05 2023-02-20 05:03:19,938 INFO [main.py:643]
{rank 0/100} MD step = 380200 step time: 00:00:00.019038 Performance: 506.446 ns/day 0.047 hours/ns 29.308 steps/s 2023-02-20 05:03:21,129 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 59.742 -33587 6547.8 -40135 -40135 11.52 6.9464 -0.38391 6.5148e+05 2023-02-20 05:03:23,045 INFO [main.py:643]
{rank 0/100} MD step = 380300 step time: 00:00:00.018134 Performance: 506.458 ns/day 0.047 hours/ns 29.309 steps/s 2023-02-20 05:03:24,217 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 60.326 -33440 6611.8 -40051 -40051 11.523 6.9482 -0.38381 6.5164e+05 2023-02-20 05:03:26,118 INFO [main.py:643]
{rank 0/100} MD step = 380400 step time: 00:00:00.018016 Performance: 506.471 ns/day 0.047 hours/ns 29.310 steps/s 2023-02-20 05:03:26,893 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 60.501 -33542 6631 -40173 -40173 11.526 6.9493 -0.38386 6.5178e+05 2023-02-20 05:03:29,262 INFO [main.py:643]
{rank 0/100} MD step = 380500 step time: 00:00:00.018034 Performance: 506.482 ns/day 0.047 hours/ns 29.310 steps/s 2023-02-20 05:03:30,391 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 58.982 -33702 6464.5 -40166 -40166 11.53 6.9509 -0.38406 6.5197e+05 2023-02-20 05:03:32,335 INFO [main.py:643]
{rank 0/100} MD step = 380600 step time: 00:00:00.018294 Performance: 506.495 ns/day 0.047 hours/ns 29.311 steps/s 2023-02-20 05:03:33,587 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 60.704 -33529 6653.3 -40182 -40182 11.533 6.9527 -0.38371 6.5211e+05 2023-02-20 05:03:35,439 INFO [main.py:643]
{rank 0/100} MD step = 380700 step time: 00:00:00.018111 Performance: 506.507 ns/day 0.047 hours/ns 29.312 steps/s 2023-02-20 05:03:36,664 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 59.495 -33527 6520.7 -40047 -40047 11.536 6.9539 -0.38349 6.5231e+05 2023-02-20 05:03:38,545 INFO [main.py:643]
{rank 0/100} MD step = 380800 step time: 00:00:00.018049 Performance: 506.519 ns/day 0.047 hours/ns 29.312 steps/s 2023-02-20 05:03:39,879 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 60.401 -33426 6620 -40046 -40046 11.54 6.9551 -0.38395 6.5248e+05 2023-02-20 05:03:41,699 INFO [main.py:643]
{rank 0/100} MD step = 380900 step time: 00:00:00.018009 Performance: 506.529 ns/day 0.047 hours/ns 29.313 steps/s 2023-02-20 05:03:42,927 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 380900 76180 59.851 -33428 6559.8 -39988 -39988 11.544 6.9552 -0.38326 6.5265e+05 2023-02-20 05:03:44,751 INFO [main.py:643]
{rank 0/100} MD step = 381000 step time: 00:00:00.019208 Performance: 506.543 ns/day 0.047 hours/ns 29.314 steps/s 2023-02-20 05:03:45,998 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 59.933 -33521 6568.7 -40090 -40090 11.547 6.957 -0.38401 6.5284e+05 2023-02-20 05:03:47,886 INFO [main.py:643]
{rank 0/100} MD step = 381100 step time: 00:00:00.018190 Performance: 506.554 ns/day 0.047 hours/ns 29.314 steps/s 2023-02-20 05:03:49,188 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 60.577 -33443 6639.3 -40083 -40083 11.55 6.9572 -0.38448 6.53e+05 2023-02-20 05:03:51,011 INFO [main.py:643]
{rank 0/100} MD step = 381200 step time: 00:00:00.018119 Performance: 506.565 ns/day 0.047 hours/ns 29.315 steps/s 2023-02-20 05:03:52,205 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 59.772 -33555 6551.1 -40106 -40106 11.551 6.958 -0.38521 6.5316e+05 2023-02-20 05:03:54,085 INFO [main.py:643]
{rank 0/100} MD step = 381300 step time: 00:00:00.018014 Performance: 506.578 ns/day 0.047 hours/ns 29.316 steps/s 2023-02-20 05:03:55,490 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 59.981 -33579 6574 -40153 -40153 11.553 6.9595 -0.38465 6.5334e+05 2023-02-20 05:03:57,309 INFO [main.py:643]
{rank 0/100} MD step = 381400 step time: 00:00:00.018090 Performance: 506.585 ns/day 0.047 hours/ns 29.316 steps/s 2023-02-20 05:04:02,995 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 58.886 -33594 6454 -40048 -40048 11.558 6.9618 -0.38532 6.5353e+05 2023-02-20 05:04:04,920 INFO [main.py:643]
{rank 0/100} MD step = 381500 step time: 00:00:00.017953 Performance: 506.422 ns/day 0.047 hours/ns 29.307 steps/s 2023-02-20 05:04:06,146 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 60.655 -33593 6647.9 -40241 -40241 11.56 6.9647 -0.38533 6.5368e+05 2023-02-20 05:04:08,132 INFO [main.py:643]
{rank 0/100} MD step = 381600 step time: 00:00:00.018090 Performance: 506.430 ns/day 0.047 hours/ns 29.307 steps/s 2023-02-20 05:04:11,570 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 60.118 -33478 6589 -40067 -40067 11.566 6.9664 -0.38772 6.5387e+05 2023-02-20 05:04:13,513 INFO [main.py:643]
{rank 0/100} MD step = 381700 step time: 00:00:00.018049 Performance: 506.353 ns/day 0.047 hours/ns 29.303 steps/s 2023-02-20 05:04:20,107 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 60.011 -33604 6577.3 -40181 -40181 11.57 6.9681 -0.38867 6.5399e+05 2023-02-20 05:04:21,969 INFO [main.py:643]
{rank 0/100} MD step = 381800 step time: 00:00:00.018283 Performance: 506.157 ns/day 0.047 hours/ns 29.292 steps/s 2023-02-20 05:04:23,457 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 59.705 -33559 6543.7 -40102 -40102 11.574 6.9707 -0.38886 6.542e+05 2023-02-20 05:04:25,489 INFO [main.py:643]
{rank 0/100} MD step = 381900 step time: 00:00:00.018499 Performance: 506.153 ns/day 0.047 hours/ns 29.291 steps/s 2023-02-20 05:04:26,674 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 60.223 -33534 6600.5 -40134 -40134 11.576 6.9738 -0.38745 6.5439e+05 2023-02-20 05:04:28,555 INFO [main.py:643]
{rank 0/100} MD step = 382000 step time: 00:00:00.018030 Performance: 506.167 ns/day 0.047 hours/ns 29.292 steps/s 2023-02-20 05:04:29,978 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 59.143 -33627 6482.2 -40109 -40109 11.58 6.9743 -0.38613 6.5454e+05 2023-02-20 05:04:31,784 INFO [main.py:643]
{rank 0/100} MD step = 382100 step time: 00:00:00.018082 Performance: 506.174 ns/day 0.047 hours/ns 29.292 steps/s 2023-02-20 05:04:34,464 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 60.228 -33498 6601 -40099 -40099 11.582 6.9749 -0.38479 6.547e+05 2023-02-20 05:04:36,315 INFO [main.py:643]
{rank 0/100} MD step = 382200 step time: 00:00:00.018044 Performance: 506.130 ns/day 0.047 hours/ns 29.290 steps/s 2023-02-20 05:04:37,547 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 60.071 -33524 6583.9 -40108 -40108 11.587 6.9755 -0.38505 6.5488e+05 2023-02-20 05:04:39,515 INFO [main.py:643]
{rank 0/100} MD step = 382300 step time: 00:00:00.017942 Performance: 506.139 ns/day 0.047 hours/ns 29.290 steps/s 2023-02-20 05:04:40,848 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 60.431 -33514 6623.3 -40138 -40138 11.59 6.9773 -0.38608 6.5503e+05 2023-02-20 05:04:42,663 INFO [main.py:643]
{rank 0/100} MD step = 382400 step time: 00:00:00.018801 Performance: 506.149 ns/day 0.047 hours/ns 29.291 steps/s 2023-02-20 05:04:43,981 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 59.919 -33602 6567.2 -40169 -40169 11.596 6.9783 -0.38648 6.552e+05 2023-02-20 05:04:45,820 INFO [main.py:643]
{rank 0/100} MD step = 382500 step time: 00:00:00.018082 Performance: 506.159 ns/day 0.047 hours/ns 29.292 steps/s 2023-02-20 05:04:47,206 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 59.835 -33572 6558 -40130 -40130 11.597 6.9798 -0.38753 6.5539e+05 2023-02-20 05:04:49,068 INFO [main.py:643]
{rank 0/100} MD step = 382600 step time: 00:00:00.018198 Performance: 506.165 ns/day 0.047 hours/ns 29.292 steps/s 2023-02-20 05:04:50,655 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 59.945 -33590 6570.1 -40160 -40160 11.6 6.9811 -0.38814 6.5555e+05 2023-02-20 05:04:52,499 INFO [main.py:643]
{rank 0/100} MD step = 382700 step time: 00:00:00.017837 Performance: 506.165 ns/day 0.047 hours/ns 29.292 steps/s 2023-02-20 05:04:59,481 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 58.665 -33827 6429.7 -40256 -40256 11.604 6.9821 -0.38812 6.5573e+05 2023-02-20 05:05:01,358 INFO [main.py:643]
{rank 0/100} MD step = 382800 step time: 00:00:00.017947 Performance: 505.954 ns/day 0.047 hours/ns 29.280 steps/s 2023-02-20 05:05:03,173 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 60.589 -33512 6640.7 -40152 -40152 11.61 6.9836 -0.38829 6.559e+05 2023-02-20 05:05:07,315 INFO [main.py:643]
{rank 0/100} MD step = 382900 step time: 00:00:00.018198 Performance: 505.856 ns/day 0.047 hours/ns 29.274 steps/s 2023-02-20 05:05:08,683 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 60.817 -33320 6665.7 -39985 -39985 11.613 6.9855 -0.38736 6.5611e+05 2023-02-20 05:05:10,513 INFO [main.py:643]
{rank 0/100} MD step = 383000 step time: 00:00:00.018006 Performance: 505.864 ns/day 0.047 hours/ns 29.275 steps/s 2023-02-20 05:05:11,781 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 59.331 -33564 6502.8 -40067 -40067 11.616 6.9856 -0.38787 6.5624e+05 2023-02-20 05:05:13,668 INFO [main.py:643]
{rank 0/100} MD step = 383100 step time: 00:00:00.018381 Performance: 505.874 ns/day 0.047 hours/ns 29.275 steps/s 2023-02-20 05:05:15,177 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 59.621 -33527 6534.5 -40062 -40062 11.621 6.9876 -0.38904 6.564e+05 2023-02-20 05:05:17,076 INFO [main.py:643]
{rank 0/100} MD step = 383200 step time: 00:00:00.017993 Performance: 505.874 ns/day 0.047 hours/ns 29.275 steps/s 2023-02-20 05:05:18,372 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 383200 76640 59.208 -33621 6489.3 -40110 -40110 11.623 6.9889 -0.38848 6.5656e+05 2023-02-20 05:05:20,244 INFO [main.py:643]
{rank 0/100} MD step = 383300 step time: 00:00:00.018430 Performance: 505.884 ns/day 0.047 hours/ns 29.276 steps/s 2023-02-20 05:05:21,961 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 59.68 -33564 6541 -40105 -40105 11.625 6.9915 -0.38871 6.5674e+05 2023-02-20 05:05:23,831 INFO [main.py:643]
{rank 0/100} MD step = 383400 step time: 00:00:00.018318 Performance: 505.877 ns/day 0.047 hours/ns 29.275 steps/s 2023-02-20 05:05:25,053 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 383400 76680 59.669 -33603 6539.8 -40143 -40143 11.629 6.9935 -0.38726 6.5692e+05 2023-02-20 05:05:26,977 INFO [main.py:643]
{rank 0/100} MD step = 383500 step time: 00:00:00.018108 Performance: 505.888 ns/day 0.047 hours/ns 29.276 steps/s 2023-02-20 05:05:29,305 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 383500 76700 60.142 -33573 6591.6 -40164 -40164 11.632 6.9941 -0.38801 6.5707e+05 2023-02-20 05:05:31,129 INFO [main.py:643]
{rank 0/100} MD step = 383600 step time: 00:00:00.018128 Performance: 505.859 ns/day 0.047 hours/ns 29.274 steps/s 2023-02-20 05:05:32,820 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 60.105 -33511 6587.6 -40099 -40099 11.634 6.997 -0.38815 6.5723e+05 2023-02-20 05:05:34,971 INFO [main.py:643]
{rank 0/100} MD step = 383700 step time: 00:00:00.017908 Performance: 505.843 ns/day 0.047 hours/ns 29.273 steps/s 2023-02-20 05:05:35,853 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 59.698 -33663 6542.9 -40206 -40206 11.638 6.9985 -0.38863 6.5739e+05 2023-02-20 05:05:38,241 INFO [main.py:643]
{rank 0/100} MD step = 383800 step time: 00:00:00.018240 Performance: 505.849 ns/day 0.047 hours/ns 29.274 steps/s 2023-02-20 05:05:39,592 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 59.614 -33593 6533.8 -40127 -40127 11.642 7.0001 -0.38936 6.5758e+05 2023-02-20 05:05:41,411 INFO [main.py:643]
{rank 0/100} MD step = 383900 step time: 00:00:00.017849 Performance: 505.858 ns/day 0.047 hours/ns 29.274 steps/s 2023-02-20 05:05:43,610 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 60.052 -33617 6581.7 -40199 -40199 11.648 7.0018 -0.38945 6.5773e+05 2023-02-20 05:05:45,428 INFO [main.py:643]
{rank 0/100} MD step = 384000 step time: 00:00:00.018036 Performance: 505.835 ns/day 0.047 hours/ns 29.273 steps/s 2023-02-20 05:05:48,292 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 59.654 -33532 6538.2 -40070 -40070 11.65 7.005 -0.3885 6.5794e+05 2023-02-20 05:05:50,287 INFO [main.py:643]
{rank 0/100} MD step = 384100 step time: 00:00:00.018046 Performance: 505.779 ns/day 0.047 hours/ns 29.270 steps/s 2023-02-20 05:05:54,112 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 60.84 -33351 6668.1 -40019 -40019 11.655 7.0076 -0.38753 6.5814e+05 2023-02-20 05:05:55,975 INFO [main.py:643]
{rank 0/100} MD step = 384200 step time: 00:00:00.018081 Performance: 505.692 ns/day 0.047 hours/ns 29.265 steps/s 2023-02-20 05:05:59,771 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 60.292 -33620 6608.1 -40228 -40228 11.658 7.0107 -0.38709 6.5827e+05 2023-02-20 05:06:01,651 INFO [main.py:643]
{rank 0/100} MD step = 384300 step time: 00:00:00.017960 Performance: 505.605 ns/day 0.047 hours/ns 29.260 steps/s 2023-02-20 05:06:03,131 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 60.099 -33455 6586.9 -40042 -40042 11.661 7.0129 -0.38609 6.5846e+05 2023-02-20 05:06:05,571 INFO [main.py:643]
{rank 0/100} MD step = 384400 step time: 00:00:00.018174 Performance: 505.586 ns/day 0.047 hours/ns 29.258 steps/s 2023-02-20 05:06:07,120 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 60.374 -33549 6617 -40166 -40166 11.666 7.0143 -0.38667 6.5861e+05 2023-02-20 05:06:09,023 INFO [main.py:643]
{rank 0/100} MD step = 384500 step time: 00:00:00.018571 Performance: 505.584 ns/day 0.047 hours/ns 29.258 steps/s 2023-02-20 05:06:10,360 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 59.919 -33587 6567.2 -40154 -40154 11.67 7.0183 -0.388 6.5879e+05 2023-02-20 05:06:13,347 INFO [main.py:643]
{rank 0/100} MD step = 384600 step time: 00:00:00.020022 Performance: 505.549 ns/day 0.047 hours/ns 29.256 steps/s 2023-02-20 05:06:14,447 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 60.55 -33454 6636.3 -40091 -40091 11.672 7.0189 -0.38749 6.5899e+05 2023-02-20 05:06:16,443 INFO [main.py:643]
{rank 0/100} MD step = 384700 step time: 00:00:00.018041 Performance: 505.562 ns/day 0.047 hours/ns 29.257 steps/s 2023-02-20 05:06:17,632 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 384700 76940 60.958 -33262 6681 -39943 -39943 11.677 7.0206 -0.38623 6.5918e+05 2023-02-20 05:06:19,661 INFO [main.py:643]
{rank 0/100} MD step = 384800 step time: 00:00:00.017983 Performance: 505.569 ns/day 0.047 hours/ns 29.257 steps/s 2023-02-20 05:06:20,904 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 60.396 -33536 6619.5 -40155 -40155 11.681 7.0225 -0.38685 6.5934e+05 2023-02-20 05:06:22,739 INFO [main.py:643]
{rank 0/100} MD step = 384900 step time: 00:00:00.018281 Performance: 505.582 ns/day 0.047 hours/ns 29.258 steps/s 2023-02-20 05:06:23,943 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 60.462 -33564 6626.8 -40191 -40191 11.684 7.0254 -0.38505 6.595e+05 2023-02-20 05:06:25,842 INFO [main.py:643]
{rank 0/100} MD step = 385000 step time: 00:00:00.017864 Performance: 505.595 ns/day 0.047 hours/ns 29.259 steps/s 2023-02-20 05:06:27,118 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 60.246 -33436 6603 -40039 -40039 11.688 7.027 -0.38576 6.5967e+05 2023-02-20 05:06:28,993 INFO [main.py:643]
{rank 0/100} MD step = 385100 step time: 00:00:00.017969 Performance: 505.605 ns/day 0.047 hours/ns 29.260 steps/s 2023-02-20 05:06:30,250 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 385100 77020 59.913 -33474 6566.6 -40040 -40040 11.689 7.0308 -0.38665 6.5987e+05 2023-02-20 05:06:32,108 INFO [main.py:643]
{rank 0/100} MD step = 385200 step time: 00:00:00.018004 Performance: 505.616 ns/day 0.047 hours/ns 29.260 steps/s 2023-02-20 05:06:33,434 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 61.052 -33432 6691.4 -40123 -40123 11.693 7.0308 -0.38716 6.6003e+05 2023-02-20 05:06:35,309 INFO [main.py:643]
{rank 0/100} MD step = 385300 step time: 00:00:00.018165 Performance: 505.625 ns/day 0.047 hours/ns 29.261 steps/s 2023-02-20 05:06:36,564 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 59.879 -33545 6562.8 -40108 -40108 11.699 7.0338 -0.38779 6.6023e+05 2023-02-20 05:06:38,413 INFO [main.py:643]
{rank 0/100} MD step = 385400 step time: 00:00:00.017998 Performance: 505.637 ns/day 0.047 hours/ns 29.261 steps/s 2023-02-20 05:06:39,749 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 60.43 -33533 6623.1 -40156 -40156 11.702 7.0374 -0.38636 6.6037e+05 2023-02-20 05:06:41,564 INFO [main.py:643]
{rank 0/100} MD step = 385500 step time: 00:00:00.018173 Performance: 505.647 ns/day 0.047 hours/ns 29.262 steps/s 2023-02-20 05:06:42,870 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 61.208 -33352 6708.4 -40060 -40060 11.707 7.0396 -0.38755 6.6056e+05 2023-02-20 05:06:44,875 INFO [main.py:643]
{rank 0/100} MD step = 385600 step time: 00:00:00.018050 Performance: 505.651 ns/day 0.047 hours/ns 29.262 steps/s 2023-02-20 05:06:46,177 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 59.639 -33623 6536.5 -40160 -40160 11.712 7.042 -0.38713 6.6073e+05 2023-02-20 05:06:48,071 INFO [main.py:643]
{rank 0/100} MD step = 385700 step time: 00:00:00.018180 Performance: 505.660 ns/day 0.047 hours/ns 29.263 steps/s 2023-02-20 05:06:49,362 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 59.769 -33526 6550.8 -40077 -40077 11.716 7.0428 -0.38638 6.6091e+05 2023-02-20 05:06:51,163 INFO [main.py:643]
{rank 0/100} MD step = 385800 step time: 00:00:00.018027 Performance: 505.672 ns/day 0.047 hours/ns 29.263 steps/s 2023-02-20 05:06:51,939 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 60.501 -33342 6631 -39973 -39973 11.724 7.0454 -0.3865 6.611e+05 2023-02-20 05:06:54,318 INFO [main.py:643]
{rank 0/100} MD step = 385900 step time: 00:00:00.018003 Performance: 505.682 ns/day 0.047 hours/ns 29.264 steps/s 2023-02-20 05:06:55,624 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 59.773 -33510 6551.2 -40061 -40061 11.729 7.0474 -0.38649 6.6123e+05 2023-02-20 05:06:57,459 INFO [main.py:643]
{rank 0/100} MD step = 386000 step time: 00:00:00.018012 Performance: 505.693 ns/day 0.047 hours/ns 29.265 steps/s 2023-02-20 05:06:58,870 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 59.78 -33543 6552 -40095 -40095 11.735 7.05 -0.38653 6.6138e+05 2023-02-20 05:07:00,798 INFO [main.py:643]
{rank 0/100} MD step = 386100 step time: 00:00:00.018255 Performance: 505.696 ns/day 0.047 hours/ns 29.265 steps/s 2023-02-20 05:07:01,909 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 60.303 -33410 6609.3 -40019 -40019 11.737 7.052 -0.38638 6.6158e+05 2023-02-20 05:07:03,869 INFO [main.py:643]
{rank 0/100} MD step = 386200 step time: 00:00:00.018493 Performance: 505.709 ns/day 0.047 hours/ns 29.266 steps/s 2023-02-20 05:07:05,210 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 386200 77240 60.3 -33490 6609 -40099 -40099 11.74 7.0544 -0.38461 6.6173e+05 2023-02-20 05:07:07,049 INFO [main.py:643]
{rank 0/100} MD step = 386300 step time: 00:00:00.017991 Performance: 505.718 ns/day 0.047 hours/ns 29.266 steps/s 2023-02-20 05:07:08,521 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 58.866 -33742 6451.7 -40194 -40194 11.747 7.0575 -0.38387 6.6191e+05 2023-02-20 05:07:10,506 INFO [main.py:643]
{rank 0/100} MD step = 386400 step time: 00:00:00.018026 Performance: 505.717 ns/day 0.047 hours/ns 29.266 steps/s 2023-02-20 05:07:11,893 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 59.984 -33522 6574.3 -40096 -40096 11.751 7.0596 -0.38326 6.6209e+05 2023-02-20 05:07:13,903 INFO [main.py:643]
{rank 0/100} MD step = 386500 step time: 00:00:00.018037 Performance: 505.717 ns/day 0.047 hours/ns 29.266 steps/s 2023-02-20 05:07:15,117 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 59.618 -33468 6534.2 -40003 -40003 11.754 7.0609 -0.38171 6.6227e+05 2023-02-20 05:07:17,022 INFO [main.py:643]
{rank 0/100} MD step = 386600 step time: 00:00:00.018141 Performance: 505.729 ns/day 0.047 hours/ns 29.267 steps/s 2023-02-20 05:07:18,271 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 59.068 -33604 6473.9 -40078 -40078 11.759 7.0615 -0.38148 6.6244e+05 2023-02-20 05:07:20,194 INFO [main.py:643]
{rank 0/100} MD step = 386700 step time: 00:00:00.018108 Performance: 505.738 ns/day 0.047 hours/ns 29.267 steps/s 2023-02-20 05:07:21,451 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 60.42 -33441 6622.1 -40063 -40063 11.763 7.0646 -0.38191 6.6261e+05 2023-02-20 05:07:23,812 INFO [main.py:643]
{rank 0/100} MD step = 386800 step time: 00:00:00.018025 Performance: 505.730 ns/day 0.047 hours/ns 29.267 steps/s 2023-02-20 05:07:26,317 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 60.946 -33502 6679.7 -40182 -40182 11.767 7.068 -0.3833 6.6276e+05 2023-02-20 05:07:28,154 INFO [main.py:643]
{rank 0/100} MD step = 386900 step time: 00:00:00.018096 Performance: 505.695 ns/day 0.047 hours/ns 29.265 steps/s 2023-02-20 05:07:29,468 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 59.44 -33787 6514.7 -40302 -40302 11.771 7.0691 -0.3832 6.6292e+05 2023-02-20 05:07:31,289 INFO [main.py:643]
{rank 0/100} MD step = 387000 step time: 00:00:00.018609 Performance: 505.706 ns/day 0.047 hours/ns 29.265 steps/s 2023-02-20 05:07:32,379 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 387000 77400 59.5 -33573 6521.2 -40094 -40094 11.775 7.0723 -0.38155 6.6312e+05 2023-02-20 05:07:34,751 INFO [main.py:643]
{rank 0/100} MD step = 387100 step time: 00:00:00.020366 Performance: 505.704 ns/day 0.047 hours/ns 29.265 steps/s 2023-02-20 05:07:36,077 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 58.859 -33642 6451 -40093 -40093 11.779 7.0734 -0.3817 6.6332e+05 2023-02-20 05:07:37,939 INFO [main.py:643]
{rank 0/100} MD step = 387200 step time: 00:00:00.020991 Performance: 505.713 ns/day 0.047 hours/ns 29.266 steps/s 2023-02-20 05:07:39,288 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 60.305 -33580 6609.5 -40190 -40190 11.782 7.0745 -0.38174 6.6346e+05 2023-02-20 05:07:41,151 INFO [main.py:643]
{rank 0/100} MD step = 387300 step time: 00:00:00.018014 Performance: 505.721 ns/day 0.047 hours/ns 29.266 steps/s 2023-02-20 05:07:41,898 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 59.363 -33642 6506.3 -40148 -40148 11.786 7.0747 -0.38122 6.6363e+05 2023-02-20 05:07:44,216 INFO [main.py:643]
{rank 0/100} MD step = 387400 step time: 00:00:00.018023 Performance: 505.734 ns/day 0.047 hours/ns 29.267 steps/s 2023-02-20 05:07:45,554 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 59.506 -33571 6522 -40093 -40093 11.788 7.0759 -0.38124 6.6381e+05 2023-02-20 05:07:47,381 INFO [main.py:643]
{rank 0/100} MD step = 387500 step time: 00:00:00.018192 Performance: 505.744 ns/day 0.047 hours/ns 29.268 steps/s 2023-02-20 05:07:48,482 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 60.256 -33529 6604.2 -40134 -40134 11.791 7.0793 -0.38076 6.6394e+05 2023-02-20 05:07:50,429 INFO [main.py:643]
{rank 0/100} MD step = 387600 step time: 00:00:00.018235 Performance: 505.758 ns/day 0.047 hours/ns 29.268 steps/s 2023-02-20 05:07:51,788 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 61.122 -33353 6699.1 -40052 -40052 11.795 7.0809 -0.37892 6.6416e+05 2023-02-20 05:07:53,608 INFO [main.py:643]
{rank 0/100} MD step = 387700 step time: 00:00:00.018087 Performance: 505.767 ns/day 0.047 hours/ns 29.269 steps/s 2023-02-20 05:07:54,904 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 59.41 -33624 6511.4 -40136 -40136 11.799 7.0843 -0.37825 6.6429e+05 2023-02-20 05:07:56,725 INFO [main.py:643]
{rank 0/100} MD step = 387800 step time: 00:00:00.018082 Performance: 505.778 ns/day 0.047 hours/ns 29.270 steps/s 2023-02-20 05:07:57,557 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 59.544 -33441 6526 -39967 -39967 11.803 7.0873 -0.37872 6.6448e+05 2023-02-20 05:07:59,879 INFO [main.py:643]
{rank 0/100} MD step = 387900 step time: 00:00:00.018003 Performance: 505.788 ns/day 0.047 hours/ns 29.270 steps/s 2023-02-20 05:08:01,125 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 59.556 -33556 6527.4 -40084 -40084 11.808 7.0884 -0.37916 6.6463e+05 2023-02-20 05:08:02,959 INFO [main.py:643]
{rank 0/100} MD step = 388000 step time: 00:00:00.018109 Performance: 505.801 ns/day 0.047 hours/ns 29.271 steps/s 2023-02-20 05:08:04,180 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 58.749 -33723 6439 -40162 -40162 11.811 7.0898 -0.38055 6.6479e+05 2023-02-20 05:08:06,030 INFO [main.py:643]
{rank 0/100} MD step = 388100 step time: 00:00:00.018013 Performance: 505.814 ns/day 0.047 hours/ns 29.272 steps/s 2023-02-20 05:08:07,330 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 59.163 -33674 6484.4 -40158 -40158 11.817 7.0907 -0.38139 6.6492e+05 2023-02-20 05:08:09,170 INFO [main.py:643]
{rank 0/100} MD step = 388200 step time: 00:00:00.018090 Performance: 505.825 ns/day 0.047 hours/ns 29.272 steps/s 2023-02-20 05:08:10,388 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 59.707 -33524 6544 -40068 -40068 11.822 7.0911 -0.3821 6.6514e+05 2023-02-20 05:08:12,285 INFO [main.py:643]
{rank 0/100} MD step = 388300 step time: 00:00:00.018057 Performance: 505.836 ns/day 0.047 hours/ns 29.273 steps/s 2023-02-20 05:08:13,668 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 60.811 -33555 6665 -40220 -40220 11.825 7.0931 -0.38245 6.653e+05 2023-02-20 05:08:15,573 INFO [main.py:643]
{rank 0/100} MD step = 388400 step time: 00:00:00.018003 Performance: 505.841 ns/day 0.047 hours/ns 29.273 steps/s 2023-02-20 05:08:16,817 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 60.085 -33555 6585.4 -40140 -40140 11.831 7.093 -0.38222 6.6548e+05 2023-02-20 05:08:18,714 INFO [main.py:643]
{rank 0/100} MD step = 388500 step time: 00:00:00.017963 Performance: 505.852 ns/day 0.047 hours/ns 29.274 steps/s 2023-02-20 05:08:20,090 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 59.159 -33592 6483.9 -40076 -40076 11.834 7.0947 -0.381 6.657e+05 2023-02-20 05:08:21,915 INFO [main.py:643]
{rank 0/100} MD step = 388600 step time: 00:00:00.017946 Performance: 505.860 ns/day 0.047 hours/ns 29.274 steps/s 2023-02-20 05:08:23,456 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 388600 77720 59.258 -33658 6494.8 -40153 -40153 11.835 7.0962 -0.38065 6.6584e+05 2023-02-20 05:08:25,354 INFO [main.py:643]
{rank 0/100} MD step = 388700 step time: 00:00:00.018072 Performance: 505.859 ns/day 0.047 hours/ns 29.274 steps/s 2023-02-20 05:08:26,601 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 59.809 -33591 6555.1 -40146 -40146 11.84 7.0983 -0.38166 6.6604e+05 2023-02-20 05:08:28,467 INFO [main.py:643]
{rank 0/100} MD step = 388800 step time: 00:00:00.018026 Performance: 505.871 ns/day 0.047 hours/ns 29.275 steps/s 2023-02-20 05:08:29,675 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 59.719 -33653 6545.3 -40198 -40198 11.843 7.0989 -0.38111 6.6619e+05 2023-02-20 05:08:31,603 INFO [main.py:643]
{rank 0/100} MD step = 388900 step time: 00:00:00.017911 Performance: 505.881 ns/day 0.047 hours/ns 29.276 steps/s 2023-02-20 05:08:32,854 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 388900 77780 59.648 -33618 6537.5 -40156 -40156 11.848 7.0993 -0.38149 6.6637e+05 2023-02-20 05:08:34,705 INFO [main.py:643]
{rank 0/100} MD step = 389000 step time: 00:00:00.018034 Performance: 505.893 ns/day 0.047 hours/ns 29.276 steps/s 2023-02-20 05:08:36,006 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 60.607 -33364 6642.6 -40006 -40006 11.852 7.1019 -0.38193 6.6658e+05 2023-02-20 05:08:37,943 INFO [main.py:643]
{rank 0/100} MD step = 389100 step time: 00:00:00.020986 Performance: 505.900 ns/day 0.047 hours/ns 29.277 steps/s 2023-02-20 05:08:39,233 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 59.972 -33488 6573 -40061 -40061 11.855 7.1034 -0.38164 6.6674e+05 2023-02-20 05:08:41,058 INFO [main.py:643]
{rank 0/100} MD step = 389200 step time: 00:00:00.018014 Performance: 505.911 ns/day 0.047 hours/ns 29.277 steps/s 2023-02-20 05:08:42,448 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 59.89 -33482 6564 -40046 -40046 11.858 7.1054 -0.38183 6.669e+05 2023-02-20 05:08:44,380 INFO [main.py:643]
{rank 0/100} MD step = 389300 step time: 00:00:00.018230 Performance: 505.915 ns/day 0.047 hours/ns 29.277 steps/s 2023-02-20 05:08:45,767 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 59.484 -33690 6519.5 -40210 -40210 11.862 7.107 -0.38282 6.6705e+05 2023-02-20 05:08:47,645 INFO [main.py:643]
{rank 0/100} MD step = 389400 step time: 00:00:00.018241 Performance: 505.921 ns/day 0.047 hours/ns 29.278 steps/s 2023-02-20 05:08:49,150 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 60.012 -33573 6577.4 -40150 -40150 11.866 7.1101 -0.38376 6.6726e+05 2023-02-20 05:08:50,998 INFO [main.py:643]
{rank 0/100} MD step = 389500 step time: 00:00:00.018391 Performance: 505.923 ns/day 0.047 hours/ns 29.278 steps/s 2023-02-20 05:08:52,263 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 60.197 -33508 6597.6 -40105 -40105 11.872 7.1125 -0.38484 6.6743e+05 2023-02-20 05:08:54,287 INFO [main.py:643]
{rank 0/100} MD step = 389600 step time: 00:00:00.018146 Performance: 505.928 ns/day 0.047 hours/ns 29.278 steps/s 2023-02-20 05:08:55,667 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 59.2 -33659 6488.4 -40147 -40147 11.875 7.1142 -0.38494 6.6758e+05 2023-02-20 05:08:57,485 INFO [main.py:643]
{rank 0/100} MD step = 389700 step time: 00:00:00.018054 Performance: 505.936 ns/day 0.047 hours/ns 29.279 steps/s 2023-02-20 05:08:58,654 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 59.582 -33534 6530.2 -40064 -40064 11.878 7.1152 -0.38477 6.6779e+05 2023-02-20 05:09:00,610 INFO [main.py:643]
{rank 0/100} MD step = 389800 step time: 00:00:00.018171 Performance: 505.947 ns/day 0.047 hours/ns 29.279 steps/s 2023-02-20 05:09:01,869 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 61.105 -33484 6697.1 -40181 -40181 11.882 7.1179 -0.38635 6.6793e+05 2023-02-20 05:09:03,712 INFO [main.py:643]
{rank 0/100} MD step = 389900 step time: 00:00:00.018354 Performance: 505.959 ns/day 0.047 hours/ns 29.280 steps/s 2023-02-20 05:09:04,938 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 60.047 -33569 6581.2 -40150 -40150 11.884 7.1194 -0.38543 6.6813e+05 2023-02-20 05:09:06,959 INFO [main.py:643]
{rank 0/100} MD step = 390000 step time: 00:00:00.018597 Performance: 505.965 ns/day 0.047 hours/ns 29.280 steps/s 2023-02-20 05:09:08,325 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 60.409 -33490 6620.9 -40111 -40111 11.886 7.1212 -0.38349 6.6828e+05 2023-02-20 05:09:10,308 INFO [main.py:643]
{rank 0/100} MD step = 390100 step time: 00:00:00.018152 Performance: 505.968 ns/day 0.047 hours/ns 29.281 steps/s 2023-02-20 05:09:11,479 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 390100 78020 60.071 -33515 6583.9 -40099 -40099 11.89 7.1227 -0.38227 6.6846e+05 2023-02-20 05:09:13,362 INFO [main.py:643]
{rank 0/100} MD step = 390200 step time: 00:00:00.018252 Performance: 505.982 ns/day 0.047 hours/ns 29.281 steps/s 2023-02-20 05:09:14,667 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 60.494 -33527 6630.2 -40157 -40157 11.895 7.1241 -0.38289 6.6859e+05 2023-02-20 05:09:16,521 INFO [main.py:643]
{rank 0/100} MD step = 390300 step time: 00:00:00.018371 Performance: 505.991 ns/day 0.047 hours/ns 29.282 steps/s 2023-02-20 05:09:17,809 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 60.785 -33549 6662.1 -40211 -40211 11.9 7.1251 -0.38028 6.6874e+05 2023-02-20 05:09:19,653 INFO [main.py:643]
{rank 0/100} MD step = 390400 step time: 00:00:00.018266 Performance: 506.002 ns/day 0.047 hours/ns 29.283 steps/s 2023-02-20 05:09:20,874 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 59.989 -33493 6574.8 -40068 -40068 11.902 7.1256 -0.37991 6.6893e+05 2023-02-20 05:09:22,773 INFO [main.py:643]
{rank 0/100} MD step = 390500 step time: 00:00:00.017891 Performance: 506.013 ns/day 0.047 hours/ns 29.283 steps/s 2023-02-20 05:09:24,050 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 59.499 -33582 6521.2 -40103 -40103 11.905 7.1282 -0.38115 6.691e+05 2023-02-20 05:09:25,887 INFO [main.py:643]
{rank 0/100} MD step = 390600 step time: 00:00:00.017899 Performance: 506.025 ns/day 0.047 hours/ns 29.284 steps/s 2023-02-20 05:09:27,213 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 60.049 -33416 6581.4 -39998 -39998 11.908 7.1304 -0.38225 6.6929e+05 2023-02-20 05:09:29,147 INFO [main.py:643]
{rank 0/100} MD step = 390700 step time: 00:00:00.017988 Performance: 506.031 ns/day 0.047 hours/ns 29.284 steps/s 2023-02-20 05:09:30,211 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 390700 78140 60.024 -33549 6578.7 -40128 -40128 11.911 7.133 -0.38355 6.6948e+05 2023-02-20 05:09:32,125 INFO [main.py:643]
{rank 0/100} MD step = 390800 step time: 00:00:00.018034 Performance: 506.047 ns/day 0.047 hours/ns 29.285 steps/s 2023-02-20 05:09:33,611 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 61.077 -33548 6694.1 -40242 -40242 11.918 7.1351 -0.38245 6.6964e+05 2023-02-20 05:09:35,572 INFO [main.py:643]
{rank 0/100} MD step = 390900 step time: 00:00:00.018009 Performance: 506.046 ns/day 0.047 hours/ns 29.285 steps/s 2023-02-20 05:09:36,843 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 390900 78180 59.793 -33544 6553.4 -40097 -40097 11.922 7.1369 -0.3816 6.6985e+05 2023-02-20 05:09:38,789 INFO [main.py:643]
{rank 0/100} MD step = 391000 step time: 00:00:00.017833 Performance: 506.054 ns/day 0.047 hours/ns 29.286 steps/s 2023-02-20 05:09:40,098 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 60.176 -33559 6595.3 -40155 -40155 11.929 7.1379 -0.38132 6.7004e+05 2023-02-20 05:09:42,021 INFO [main.py:643]
{rank 0/100} MD step = 391100 step time: 00:00:00.018311 Performance: 506.060 ns/day 0.047 hours/ns 29.286 steps/s 2023-02-20 05:09:43,277 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 59.029 -33717 6469.7 -40187 -40187 11.934 7.1398 -0.37972 6.7022e+05 2023-02-20 05:09:45,150 INFO [main.py:643]
{rank 0/100} MD step = 391200 step time: 00:00:00.017953 Performance: 506.071 ns/day 0.047 hours/ns 29.287 steps/s 2023-02-20 05:09:46,396 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 391200 78240 59.747 -33639 6548.4 -40187 -40187 11.939 7.1409 -0.3797 6.7038e+05 2023-02-20 05:09:48,285 INFO [main.py:643]
{rank 0/100} MD step = 391300 step time: 00:00:00.018003 Performance: 506.082 ns/day 0.047 hours/ns 29.287 steps/s 2023-02-20 05:09:49,665 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 59.651 -33624 6537.8 -40162 -40162 11.944 7.1436 -0.38048 6.7053e+05 2023-02-20 05:09:51,862 INFO [main.py:643]
{rank 0/100} MD step = 391400 step time: 00:00:00.018075 Performance: 506.076 ns/day 0.047 hours/ns 29.287 steps/s 2023-02-20 05:09:53,113 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 60.236 -33563 6602 -40165 -40165 11.948 7.146 -0.38006 6.7071e+05 2023-02-20 05:09:54,976 INFO [main.py:643]
{rank 0/100} MD step = 391500 step time: 00:00:00.018020 Performance: 506.087 ns/day 0.047 hours/ns 29.287 steps/s 2023-02-20 05:09:56,610 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 59.78 -33601 6552 -40153 -40153 11.954 7.146 -0.38137 6.7085e+05 2023-02-20 05:09:58,464 INFO [main.py:643]
{rank 0/100} MD step = 391600 step time: 00:00:00.018041 Performance: 506.084 ns/day 0.047 hours/ns 29.287 steps/s 2023-02-20 05:09:59,731 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 59.663 -33579 6539.2 -40119 -40119 11.957 7.1464 -0.38193 6.7105e+05 2023-02-20 05:10:01,594 INFO [main.py:643]
{rank 0/100} MD step = 391700 step time: 00:00:00.018172 Performance: 506.095 ns/day 0.047 hours/ns 29.288 steps/s 2023-02-20 05:10:03,071 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 60.725 -33447 6655.5 -40103 -40103 11.961 7.1495 -0.38271 6.7119e+05 2023-02-20 05:10:04,982 INFO [main.py:643]
{rank 0/100} MD step = 391800 step time: 00:00:00.017986 Performance: 506.096 ns/day 0.047 hours/ns 29.288 steps/s 2023-02-20 05:10:06,288 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 60.093 -33395 6586.3 -39981 -39981 11.965 7.1514 -0.38241 6.7137e+05 2023-02-20 05:10:08,221 INFO [main.py:643]
{rank 0/100} MD step = 391900 step time: 00:00:00.018179 Performance: 506.103 ns/day 0.047 hours/ns 29.288 steps/s 2023-02-20 05:10:09,596 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 59.758 -33532 6549.6 -40082 -40082 11.97 7.1539 -0.38349 6.7152e+05 2023-02-20 05:10:11,447 INFO [main.py:643]
{rank 0/100} MD step = 392000 step time: 00:00:00.019267 Performance: 506.110 ns/day 0.047 hours/ns 29.289 steps/s 2023-02-20 05:10:13,185 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 59.823 -33695 6556.6 -40252 -40252 11.973 7.1567 -0.38402 6.7168e+05 2023-02-20 05:10:15,040 INFO [main.py:643]
{rank 0/100} MD step = 392100 step time: 00:00:00.018157 Performance: 506.103 ns/day 0.047 hours/ns 29.288 steps/s 2023-02-20 05:10:16,508 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 60.586 -33501 6640.3 -40141 -40141 11.977 7.1595 -0.38333 6.7186e+05 2023-02-20 05:10:18,374 INFO [main.py:643]
{rank 0/100} MD step = 392200 step time: 00:00:00.018050 Performance: 506.106 ns/day 0.047 hours/ns 29.289 steps/s 2023-02-20 05:10:20,099 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 59.253 -33614 6494.2 -40108 -40108 11.983 7.1615 -0.38414 6.7207e+05 2023-02-20 05:10:21,962 INFO [main.py:643]
{rank 0/100} MD step = 392300 step time: 00:00:00.017998 Performance: 506.100 ns/day 0.047 hours/ns 29.288 steps/s 2023-02-20 05:10:23,535 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 59.171 -33697 6485.2 -40182 -40182 11.988 7.1638 -0.38429 6.7225e+05 2023-02-20 05:10:25,443 INFO [main.py:643]
{rank 0/100} MD step = 392400 step time: 00:00:00.017979 Performance: 506.097 ns/day 0.047 hours/ns 29.288 steps/s 2023-02-20 05:10:26,865 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 59.135 -33672 6481.2 -40154 -40154 11.993 7.1652 -0.38503 6.7242e+05 2023-02-20 05:10:28,853 INFO [main.py:643]
{rank 0/100} MD step = 392500 step time: 00:00:00.017980 Performance: 506.097 ns/day 0.047 hours/ns 29.288 steps/s 2023-02-20 05:10:29,675 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 60.343 -33519 6613.6 -40132 -40132 11.998 7.1676 -0.38568 6.7261e+05 2023-02-20 05:10:32,062 INFO [main.py:643]
{rank 0/100} MD step = 392600 step time: 00:00:00.019544 Performance: 506.105 ns/day 0.047 hours/ns 29.288 steps/s 2023-02-20 05:10:33,441 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 59.735 -33610 6547 -40157 -40157 12.007 7.1715 -0.38515 6.7276e+05 2023-02-20 05:10:35,368 INFO [main.py:643]
{rank 0/100} MD step = 392700 step time: 00:00:00.018034 Performance: 506.109 ns/day 0.047 hours/ns 29.289 steps/s 2023-02-20 05:10:36,836 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 392700 78540 60.222 -33630 6600.4 -40230 -40230 12.013 7.1741 -0.38562 6.7292e+05 2023-02-20 05:10:38,676 INFO [main.py:643]
{rank 0/100} MD step = 392800 step time: 00:00:00.018039 Performance: 506.113 ns/day 0.047 hours/ns 29.289 steps/s 2023-02-20 05:10:40,044 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 60.568 -33615 6638.4 -40254 -40254 12.016 7.1768 -0.38616 6.7309e+05 2023-02-20 05:10:41,930 INFO [main.py:643]
{rank 0/100} MD step = 392900 step time: 00:00:00.018013 Performance: 506.119 ns/day 0.047 hours/ns 29.289 steps/s 2023-02-20 05:10:43,200 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 60.616 -33399 6643.5 -40042 -40042 12.02 7.1787 -0.3865 6.7329e+05 2023-02-20 05:10:45,142 INFO [main.py:643]
{rank 0/100} MD step = 393000 step time: 00:00:00.018089 Performance: 506.127 ns/day 0.047 hours/ns 29.290 steps/s 2023-02-20 05:10:46,414 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 59.683 -33514 6541.3 -40055 -40055 12.023 7.1805 -0.38571 6.7347e+05 2023-02-20 05:10:48,324 INFO [main.py:643]
{rank 0/100} MD step = 393100 step time: 00:00:00.018342 Performance: 506.135 ns/day 0.047 hours/ns 29.290 steps/s 2023-02-20 05:10:50,140 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 60.031 -33550 6579.5 -40130 -40130 12.027 7.1814 -0.38431 6.7364e+05 2023-02-20 05:10:52,020 INFO [main.py:643]
{rank 0/100} MD step = 393200 step time: 00:00:00.018136 Performance: 506.125 ns/day 0.047 hours/ns 29.290 steps/s 2023-02-20 05:10:53,329 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 393200 78640 60.289 -33513 6607.7 -40121 -40121 12.036 7.1839 -0.38441 6.7381e+05 2023-02-20 05:10:55,224 INFO [main.py:643]
{rank 0/100} MD step = 393300 step time: 00:00:00.018027 Performance: 506.133 ns/day 0.047 hours/ns 29.290 steps/s 2023-02-20 05:10:56,655 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 60.522 -33508 6633.2 -40141 -40141 12.041 7.1867 -0.38318 6.7396e+05 2023-02-20 05:10:58,548 INFO [main.py:643]
{rank 0/100} MD step = 393400 step time: 00:00:00.018045 Performance: 506.136 ns/day 0.047 hours/ns 29.290 steps/s 2023-02-20 05:10:59,350 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 59.717 -33441 6545.1 -39986 -39986 12.047 7.1882 -0.38322 6.7419e+05 2023-02-20 05:11:01,709 INFO [main.py:643]
{rank 0/100} MD step = 393500 step time: 00:00:00.017997 Performance: 506.146 ns/day 0.047 hours/ns 29.291 steps/s 2023-02-20 05:11:02,994 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 59.368 -33666 6506.9 -40173 -40173 12.052 7.1887 -0.38479 6.7429e+05 2023-02-20 05:11:05,368 INFO [main.py:643]
{rank 0/100} MD step = 393600 step time: 00:00:00.018084 Performance: 506.136 ns/day 0.047 hours/ns 29.290 steps/s 2023-02-20 05:11:06,716 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 59.537 -33583 6525.3 -40108 -40108 12.058 7.1889 -0.38441 6.7447e+05 2023-02-20 05:11:08,817 INFO [main.py:643]
{rank 0/100} MD step = 393700 step time: 00:00:00.018115 Performance: 506.135 ns/day 0.047 hours/ns 29.290 steps/s 2023-02-20 05:11:09,775 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 59.588 -33536 6530.9 -40067 -40067 12.061 7.1898 -0.38557 6.7468e+05 2023-02-20 05:11:12,199 INFO [main.py:643]
{rank 0/100} MD step = 393800 step time: 00:00:00.018164 Performance: 506.136 ns/day 0.047 hours/ns 29.290 steps/s 2023-02-20 05:11:13,488 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 60.46 -33521 6626.5 -40148 -40148 12.067 7.1907 -0.38414 6.7482e+05 2023-02-20 05:11:15,482 INFO [main.py:643]
{rank 0/100} MD step = 393900 step time: 00:00:00.018440 Performance: 506.141 ns/day 0.047 hours/ns 29.291 steps/s 2023-02-20 05:11:16,981 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 59.894 -33455 6564.5 -40020 -40020 12.072 7.1915 -0.38368 6.7502e+05 2023-02-20 05:11:18,830 INFO [main.py:643]
{rank 0/100} MD step = 394000 step time: 00:00:00.018012 Performance: 506.144 ns/day 0.047 hours/ns 29.291 steps/s 2023-02-20 05:11:20,155 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 60.466 -33584 6627.2 -40211 -40211 12.078 7.1948 -0.38259 6.7515e+05 2023-02-20 05:11:21,976 INFO [main.py:643]
{rank 0/100} MD step = 394100 step time: 00:00:00.017926 Performance: 506.154 ns/day 0.047 hours/ns 29.291 steps/s 2023-02-20 05:11:23,370 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 394100 78820 59.974 -33454 6573.2 -40027 -40027 12.083 7.1969 -0.38519 6.7536e+05 2023-02-20 05:11:25,296 INFO [main.py:643]
{rank 0/100} MD step = 394200 step time: 00:00:00.134111 Performance: 506.157 ns/day 0.047 hours/ns 29.292 steps/s 2023-02-20 05:11:26,089 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 59.874 -33541 6562.3 -40103 -40103 12.088 7.1982 -0.38505 6.7553e+05 2023-02-20 05:11:28,506 INFO [main.py:643]
{rank 0/100} MD step = 394300 step time: 00:00:00.017977 Performance: 506.165 ns/day 0.047 hours/ns 29.292 steps/s 2023-02-20 05:11:29,835 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 59.626 -33543 6535.1 -40079 -40079 12.093 7.1989 -0.38445 6.7569e+05 2023-02-20 05:11:31,698 INFO [main.py:643]
{rank 0/100} MD step = 394400 step time: 00:00:00.017977 Performance: 506.173 ns/day 0.047 hours/ns 29.292 steps/s 2023-02-20 05:11:33,061 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 59.676 -33681 6540.6 -40222 -40222 12.098 7.199 -0.38415 6.7588e+05 2023-02-20 05:11:34,923 INFO [main.py:643]
{rank 0/100} MD step = 394500 step time: 00:00:00.018003 Performance: 506.180 ns/day 0.047 hours/ns 29.293 steps/s 2023-02-20 05:11:36,154 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 394500 78900 60.673 -33539 6649.8 -40189 -40189 12.1 7.2019 -0.38635 6.7604e+05 2023-02-20 05:11:38,084 INFO [main.py:643]
{rank 0/100} MD step = 394600 step time: 00:00:00.019660 Performance: 506.190 ns/day 0.047 hours/ns 29.293 steps/s 2023-02-20 05:11:39,412 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 59.729 -33574 6546.4 -40121 -40121 12.105 7.2028 -0.38651 6.7622e+05 2023-02-20 05:11:41,264 INFO [main.py:643]
{rank 0/100} MD step = 394700 step time: 00:00:00.018040 Performance: 506.199 ns/day 0.047 hours/ns 29.294 steps/s 2023-02-20 05:11:42,756 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 59.871 -33523 6561.9 -40085 -40085 12.108 7.2044 -0.3865 6.7642e+05 2023-02-20 05:11:44,565 INFO [main.py:643]
{rank 0/100} MD step = 394800 step time: 00:00:00.017870 Performance: 506.203 ns/day 0.047 hours/ns 29.294 steps/s 2023-02-20 05:11:47,062 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 60.672 -33475 6649.8 -40125 -40125 12.112 7.2048 -0.38572 6.7658e+05 2023-02-20 05:11:49,035 INFO [main.py:643]
{rank 0/100} MD step = 394900 step time: 00:00:00.018185 Performance: 506.163 ns/day 0.047 hours/ns 29.292 steps/s 2023-02-20 05:11:50,378 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 59.669 -33658 6539.9 -40197 -40197 12.115 7.2064 -0.38562 6.7677e+05 2023-02-20 05:11:52,195 INFO [main.py:643]
{rank 0/100} MD step = 395000 step time: 00:00:00.018007 Performance: 506.173 ns/day 0.047 hours/ns 29.292 steps/s 2023-02-20 05:11:53,593 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 59.752 -33625 6548.9 -40174 -40174 12.122 7.2079 -0.3852 6.7693e+05 2023-02-20 05:11:55,444 INFO [main.py:643]
{rank 0/100} MD step = 395100 step time: 00:00:00.017935 Performance: 506.179 ns/day 0.047 hours/ns 29.293 steps/s 2023-02-20 05:11:56,692 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 60.305 -33533 6609.5 -40142 -40142 12.126 7.2098 -0.38531 6.7709e+05 2023-02-20 05:11:58,641 INFO [main.py:643]
{rank 0/100} MD step = 395200 step time: 00:00:00.018038 Performance: 506.187 ns/day 0.047 hours/ns 29.293 steps/s 2023-02-20 05:11:59,477 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 59.74 -33444 6547.6 -39991 -39991 12.13 7.2101 -0.38699 6.7728e+05 2023-02-20 05:12:01,907 INFO [main.py:643]
{rank 0/100} MD step = 395300 step time: 00:00:00.018036 Performance: 506.193 ns/day 0.047 hours/ns 29.294 steps/s 2023-02-20 05:12:03,321 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 60.022 -33558 6578.5 -40136 -40136 12.133 7.2118 -0.38684 6.7749e+05 2023-02-20 05:12:05,132 INFO [main.py:643]
{rank 0/100} MD step = 395400 step time: 00:00:00.017986 Performance: 506.200 ns/day 0.047 hours/ns 29.294 steps/s 2023-02-20 05:12:05,966 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 59.856 -33461 6560.3 -40021 -40021 12.138 7.2136 -0.38636 6.7767e+05 2023-02-20 05:12:08,401 INFO [main.py:643]
{rank 0/100} MD step = 395500 step time: 00:00:00.018088 Performance: 506.205 ns/day 0.047 hours/ns 29.294 steps/s 2023-02-20 05:12:09,594 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 60.813 -33469 6665.2 -40134 -40134 12.143 7.2165 -0.3865 6.7781e+05 2023-02-20 05:12:11,554 INFO [main.py:643]
{rank 0/100} MD step = 395600 step time: 00:00:00.017970 Performance: 506.215 ns/day 0.047 hours/ns 29.295 steps/s 2023-02-20 05:12:12,968 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 61.655 -33419 6757.5 -40177 -40177 12.148 7.2166 -0.38684 6.7796e+05 2023-02-20 05:12:14,765 INFO [main.py:643]
{rank 0/100} MD step = 395700 step time: 00:00:00.018313 Performance: 506.223 ns/day 0.047 hours/ns 29.295 steps/s 2023-02-20 05:12:16,458 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 59.813 -33577 6555.6 -40133 -40133 12.15 7.2184 -0.38669 6.7814e+05 2023-02-20 05:12:18,345 INFO [main.py:643]
{rank 0/100} MD step = 395800 step time: 00:00:00.018063 Performance: 506.216 ns/day 0.047 hours/ns 29.295 steps/s 2023-02-20 05:12:19,593 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 60.208 -33583 6598.8 -40182 -40182 12.154 7.2206 -0.3859 6.7831e+05 2023-02-20 05:12:21,483 INFO [main.py:643]
{rank 0/100} MD step = 395900 step time: 00:00:00.018020 Performance: 506.227 ns/day 0.047 hours/ns 29.296 steps/s 2023-02-20 05:12:22,905 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 60.026 -33522 6579 -40101 -40101 12.16 7.2222 -0.3864 6.7849e+05 2023-02-20 05:12:24,741 INFO [main.py:643]
{rank 0/100} MD step = 396000 step time: 00:00:00.018169 Performance: 506.232 ns/day 0.047 hours/ns 29.296 steps/s 2023-02-20 05:12:26,060 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 396000 79200 59.949 -33607 6570.5 -40177 -40177 12.165 7.2223 -0.38713 6.7867e+05 2023-02-20 05:12:27,929 INFO [main.py:643]
{rank 0/100} MD step = 396100 step time: 00:00:00.020889 Performance: 506.241 ns/day 0.047 hours/ns 29.296 steps/s 2023-02-20 05:12:29,369 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 59.649 -33498 6537.6 -40036 -40036 12.169 7.2226 -0.38696 6.7885e+05 2023-02-20 05:12:31,191 INFO [main.py:643]
{rank 0/100} MD step = 396200 step time: 00:00:00.017914 Performance: 506.247 ns/day 0.047 hours/ns 29.297 steps/s 2023-02-20 05:12:32,451 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 60.028 -33568 6579.1 -40147 -40147 12.173 7.2238 -0.38623 6.7902e+05 2023-02-20 05:12:34,335 INFO [main.py:643]
{rank 0/100} MD step = 396300 step time: 00:00:00.023109 Performance: 506.257 ns/day 0.047 hours/ns 29.297 steps/s 2023-02-20 05:12:35,673 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 60.05 -33710 6581.6 -40292 -40292 12.178 7.2248 -0.38832 6.792e+05 2023-02-20 05:12:37,728 INFO [main.py:643]
{rank 0/100} MD step = 396400 step time: 00:00:00.017967 Performance: 506.257 ns/day 0.047 hours/ns 29.297 steps/s 2023-02-20 05:12:39,034 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 60.343 -33644 6613.7 -40258 -40258 12.18 7.225 -0.38916 6.7933e+05 2023-02-20 05:12:40,913 INFO [main.py:643]
{rank 0/100} MD step = 396500 step time: 00:00:00.018013 Performance: 506.266 ns/day 0.047 hours/ns 29.298 steps/s 2023-02-20 05:12:42,178 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 60.092 -33503 6586.1 -40089 -40089 12.186 7.2243 -0.38875 6.7953e+05 2023-02-20 05:12:44,088 INFO [main.py:643]
{rank 0/100} MD step = 396600 step time: 00:00:00.017895 Performance: 506.275 ns/day 0.047 hours/ns 29.298 steps/s 2023-02-20 05:12:45,370 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 61.364 -33389 6725.5 -40115 -40115 12.192 7.2254 -0.38858 6.7967e+05 2023-02-20 05:12:47,212 INFO [main.py:643]
{rank 0/100} MD step = 396700 step time: 00:00:00.017901 Performance: 506.286 ns/day 0.047 hours/ns 29.299 steps/s 2023-02-20 05:12:48,516 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 59.524 -33631 6523.9 -40155 -40155 12.196 7.2285 -0.38769 6.7987e+05 2023-02-20 05:12:50,387 INFO [main.py:643]
{rank 0/100} MD step = 396800 step time: 00:00:00.018103 Performance: 506.295 ns/day 0.047 hours/ns 29.299 steps/s 2023-02-20 05:12:51,733 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 59.667 -33651 6539.5 -40190 -40190 12.198 7.2287 -0.38863 6.8001e+05 2023-02-20 05:12:53,556 INFO [main.py:643]
{rank 0/100} MD step = 396900 step time: 00:00:00.018144 Performance: 506.304 ns/day 0.047 hours/ns 29.300 steps/s 2023-02-20 05:12:54,857 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 60.694 -33392 6652.2 -40045 -40045 12.203 7.2322 -0.38949 6.8019e+05 2023-02-20 05:12:56,699 INFO [main.py:643]
{rank 0/100} MD step = 397000 step time: 00:00:00.018036 Performance: 506.314 ns/day 0.047 hours/ns 29.301 steps/s 2023-02-20 05:12:57,974 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 59.989 -33596 6574.9 -40171 -40171 12.208 7.2332 -0.39027 6.8036e+05 2023-02-20 05:12:59,832 INFO [main.py:643]
{rank 0/100} MD step = 397100 step time: 00:00:00.018099 Performance: 506.324 ns/day 0.047 hours/ns 29.301 steps/s 2023-02-20 05:13:01,135 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 59.528 -33602 6524.3 -40126 -40126 12.211 7.2361 -0.39032 6.8053e+05 2023-02-20 05:13:03,011 INFO [main.py:643]
{rank 0/100} MD step = 397200 step time: 00:00:00.018076 Performance: 506.333 ns/day 0.047 hours/ns 29.302 steps/s 2023-02-20 05:13:04,144 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 60.057 -33553 6582.3 -40136 -40136 12.214 7.2354 -0.39019 6.8073e+05 2023-02-20 05:13:06,144 INFO [main.py:643]
{rank 0/100} MD step = 397300 step time: 00:00:00.018313 Performance: 506.343 ns/day 0.047 hours/ns 29.302 steps/s 2023-02-20 05:13:07,531 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 59.297 -33681 6499 -40180 -40180 12.217 7.2371 -0.39118 6.809e+05 2023-02-20 05:13:09,376 INFO [main.py:643]
{rank 0/100} MD step = 397400 step time: 00:00:00.018003 Performance: 506.350 ns/day 0.047 hours/ns 29.303 steps/s 2023-02-20 05:13:10,239 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 59.708 -33640 6544.1 -40184 -40184 12.22 7.2388 -0.39042 6.8107e+05 2023-02-20 05:13:12,641 INFO [main.py:643]
{rank 0/100} MD step = 397500 step time: 00:00:00.017978 Performance: 506.356 ns/day 0.047 hours/ns 29.303 steps/s 2023-02-20 05:13:14,068 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 59.516 -33598 6523 -40121 -40121 12.223 7.2398 -0.39016 6.8126e+05 2023-02-20 05:13:15,897 INFO [main.py:643]
{rank 0/100} MD step = 397600 step time: 00:00:00.018187 Performance: 506.362 ns/day 0.047 hours/ns 29.303 steps/s 2023-02-20 05:13:17,225 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 60.504 -33491 6631.3 -40122 -40122 12.227 7.2414 -0.38939 6.8141e+05 2023-02-20 05:13:19,170 INFO [main.py:643]
{rank 0/100} MD step = 397700 step time: 00:00:00.018013 Performance: 506.367 ns/day 0.047 hours/ns 29.304 steps/s 2023-02-20 05:13:20,020 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 397700 79540 60.169 -33589 6594.6 -40184 -40184 12.229 7.2433 -0.39027 6.8159e+05 2023-02-20 05:13:22,359 INFO [main.py:643]
{rank 0/100} MD step = 397800 step time: 00:00:00.017831 Performance: 506.375 ns/day 0.047 hours/ns 29.304 steps/s 2023-02-20 05:13:23,989 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 59.602 -33533 6532.4 -40065 -40065 12.231 7.244 -0.38954 6.8178e+05 2023-02-20 05:13:25,808 INFO [main.py:643]
{rank 0/100} MD step = 397900 step time: 00:00:00.018098 Performance: 506.374 ns/day 0.047 hours/ns 29.304 steps/s 2023-02-20 05:13:27,422 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 60.072 -33605 6584 -40189 -40189 12.236 7.2454 -0.39023 6.8192e+05 2023-02-20 05:13:29,266 INFO [main.py:643]
{rank 0/100} MD step = 398000 step time: 00:00:00.021519 Performance: 506.372 ns/day 0.047 hours/ns 29.304 steps/s 2023-02-20 05:13:30,551 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 59.607 -33530 6533 -40063 -40063 12.238 7.2469 -0.391 6.8208e+05 2023-02-20 05:13:32,465 INFO [main.py:643]
{rank 0/100} MD step = 398100 step time: 00:00:00.018086 Performance: 506.380 ns/day 0.047 hours/ns 29.304 steps/s 2023-02-20 05:13:33,746 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 60.16 -33532 6593.6 -40125 -40125 12.242 7.2499 -0.39248 6.8223e+05 2023-02-20 05:13:35,672 INFO [main.py:643]
{rank 0/100} MD step = 398200 step time: 00:00:00.019312 Performance: 506.388 ns/day 0.047 hours/ns 29.305 steps/s 2023-02-20 05:13:36,920 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 59.839 -33466 6558.4 -40025 -40025 12.246 7.2528 -0.39061 6.8245e+05 2023-02-20 05:13:38,825 INFO [main.py:643]
{rank 0/100} MD step = 398300 step time: 00:00:00.018112 Performance: 506.397 ns/day 0.047 hours/ns 29.305 steps/s 2023-02-20 05:13:40,064 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 60.096 -33483 6586.6 -40069 -40069 12.25 7.2537 -0.38989 6.8264e+05 2023-02-20 05:13:41,980 INFO [main.py:643]
{rank 0/100} MD step = 398400 step time: 00:00:00.018065 Performance: 506.407 ns/day 0.047 hours/ns 29.306 steps/s 2023-02-20 05:13:43,255 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 59.853 -33597 6559.9 -40157 -40157 12.252 7.2556 -0.38836 6.8282e+05 2023-02-20 05:13:45,152 INFO [main.py:643]
{rank 0/100} MD step = 398500 step time: 00:00:00.018605 Performance: 506.416 ns/day 0.047 hours/ns 29.306 steps/s 2023-02-20 05:13:46,420 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 59.787 -33550 6552.8 -40103 -40103 12.257 7.2556 -0.38718 6.8302e+05 2023-02-20 05:13:48,295 INFO [main.py:643]
{rank 0/100} MD step = 398600 step time: 00:00:00.017893 Performance: 506.426 ns/day 0.047 hours/ns 29.307 steps/s 2023-02-20 05:13:49,521 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 60.586 -33546 6640.3 -40186 -40186 12.263 7.2551 -0.38715 6.8316e+05 2023-02-20 05:13:51,469 INFO [main.py:643]
{rank 0/100} MD step = 398700 step time: 00:00:00.018621 Performance: 506.435 ns/day 0.047 hours/ns 29.308 steps/s 2023-02-20 05:13:52,243 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 398700 79740 60.146 -33518 6592.1 -40110 -40110 12.266 7.2563 -0.38974 6.8332e+05 2023-02-20 05:13:54,585 INFO [main.py:643]
{rank 0/100} MD step = 398800 step time: 00:00:00.018088 Performance: 506.446 ns/day 0.047 hours/ns 29.308 steps/s 2023-02-20 05:13:55,754 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 60.403 -33606 6620.3 -40226 -40226 12.271 7.2593 -0.39054 6.8352e+05 2023-02-20 05:13:57,738 INFO [main.py:643]
{rank 0/100} MD step = 398900 step time: 00:00:00.017926 Performance: 506.455 ns/day 0.047 hours/ns 29.309 steps/s 2023-02-20 05:13:59,000 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 59.723 -33559 6545.7 -40105 -40105 12.276 7.2604 -0.39174 6.837e+05 2023-02-20 05:14:00,857 INFO [main.py:643]
{rank 0/100} MD step = 399000 step time: 00:00:00.018004 Performance: 506.466 ns/day 0.047 hours/ns 29.309 steps/s 2023-02-20 05:14:02,135 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 60.784 -33494 6662 -40156 -40156 12.281 7.2631 -0.38912 6.8385e+05 2023-02-20 05:14:04,051 INFO [main.py:643]
{rank 0/100} MD step = 399100 step time: 00:00:00.018024 Performance: 506.474 ns/day 0.047 hours/ns 29.310 steps/s 2023-02-20 05:14:05,317 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 60.724 -33444 6655.4 -40100 -40100 12.285 7.2672 -0.38871 6.8404e+05 2023-02-20 05:14:07,270 INFO [main.py:643]
{rank 0/100} MD step = 399200 step time: 00:00:00.018226 Performance: 506.482 ns/day 0.047 hours/ns 29.310 steps/s 2023-02-20 05:14:08,728 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 399200 79840 59.819 -33473 6556.3 -40029 -40029 12.29 7.2694 -0.3889 6.8425e+05 2023-02-20 05:14:10,622 INFO [main.py:643]
{rank 0/100} MD step = 399300 step time: 00:00:00.018051 Performance: 506.484 ns/day 0.047 hours/ns 29.310 steps/s 2023-02-20 05:14:11,922 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 60.367 -33529 6616.3 -40145 -40145 12.292 7.2712 -0.38987 6.844e+05 2023-02-20 05:14:13,783 INFO [main.py:643]
{rank 0/100} MD step = 399400 step time: 00:00:00.018145 Performance: 506.493 ns/day 0.047 hours/ns 29.311 steps/s 2023-02-20 05:14:14,589 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 59.848 -33549 6559.5 -40108 -40108 12.296 7.2737 -0.39014 6.846e+05 2023-02-20 05:14:16,936 INFO [main.py:643]
{rank 0/100} MD step = 399500 step time: 00:00:00.018019 Performance: 506.503 ns/day 0.047 hours/ns 29.312 steps/s 2023-02-20 05:14:18,221 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 59.557 -33480 6527.5 -40008 -40008 12.299 7.2756 -0.38965 6.8477e+05 2023-02-20 05:14:20,049 INFO [main.py:643]
{rank 0/100} MD step = 399600 step time: 00:00:00.017994 Performance: 506.514 ns/day 0.047 hours/ns 29.312 steps/s 2023-02-20 05:14:21,353 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 59.801 -33631 6554.2 -40185 -40185 12.302 7.2773 -0.38956 6.8493e+05 2023-02-20 05:14:23,234 INFO [main.py:643]
{rank 0/100} MD step = 399700 step time: 00:00:00.018166 Performance: 506.522 ns/day 0.047 hours/ns 29.313 steps/s 2023-02-20 05:14:24,494 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 59.285 -33671 6497.7 -40169 -40169 12.304 7.2794 -0.39209 6.851e+05 2023-02-20 05:14:26,430 INFO [main.py:643]
{rank 0/100} MD step = 399800 step time: 00:00:00.017998 Performance: 506.530 ns/day 0.047 hours/ns 29.313 steps/s 2023-02-20 05:14:27,634 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 60.524 -33549 6633.5 -40183 -40183 12.309 7.2836 -0.39294 6.8527e+05 2023-02-20 05:14:29,614 INFO [main.py:643]
{rank 0/100} MD step = 399900 step time: 00:00:00.017950 Performance: 506.539 ns/day 0.047 hours/ns 29.314 steps/s 2023-02-20 05:14:31,020 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 60.8 -33455 6663.7 -40119 -40119 12.314 7.286 -0.39332 6.8546e+05 2023-02-20 05:14:32,844 INFO [main.py:643]
{rank 0/100} MD step = 400000 step time: 00:00:00.018050 Performance: 506.545 ns/day 0.047 hours/ns 29.314 steps/s 2023-02-20 05:14:34,103 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 60.601 -33413 6641.9 -40055 -40055 12.321 7.2876 -0.39427 6.8562e+05 2023-02-20 05:14:35,999 INFO [main.py:643]
{rank 0/100} MD step = 400100 step time: 00:00:00.018263 Performance: 506.555 ns/day 0.047 hours/ns 29.315 steps/s 2023-02-20 05:14:37,304 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 59.636 -33710 6536.2 -40246 -40246 12.325 7.2899 -0.39256 6.8576e+05 2023-02-20 05:14:39,185 INFO [main.py:643]
{rank 0/100} MD step = 400200 step time: 00:00:00.018106 Performance: 506.563 ns/day 0.047 hours/ns 29.315 steps/s 2023-02-20 05:14:40,405 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 60.169 -33488 6594.6 -40082 -40082 12.33 7.2919 -0.39204 6.8597e+05 2023-02-20 05:14:42,266 INFO [main.py:643]
{rank 0/100} MD step = 400300 step time: 00:00:00.017769 Performance: 506.576 ns/day 0.047 hours/ns 29.316 steps/s 2023-02-20 05:14:43,526 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 59.621 -33620 6534.6 -40155 -40155 12.334 7.2927 -0.39158 6.8612e+05 2023-02-20 05:14:45,391 INFO [main.py:643]
{rank 0/100} MD step = 400400 step time: 00:00:00.018129 Performance: 506.586 ns/day 0.047 hours/ns 29.316 steps/s 2023-02-20 05:14:46,693 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 59.823 -33614 6556.7 -40171 -40171 12.337 7.2949 -0.39078 6.8628e+05 2023-02-20 05:14:48,558 INFO [main.py:643]
{rank 0/100} MD step = 400500 step time: 00:00:00.018231 Performance: 506.595 ns/day 0.047 hours/ns 29.317 steps/s 2023-02-20 05:14:49,916 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 59.611 -33478 6533.5 -40012 -40012 12.339 7.2977 -0.39158 6.8647e+05 2023-02-20 05:14:51,722 INFO [main.py:643]
{rank 0/100} MD step = 400600 step time: 00:00:00.018072 Performance: 506.604 ns/day 0.047 hours/ns 29.317 steps/s 2023-02-20 05:14:52,897 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 59.997 -33562 6575.8 -40138 -40138 12.344 7.2996 -0.39183 6.8665e+05 2023-02-20 05:14:54,879 INFO [main.py:643]
{rank 0/100} MD step = 400700 step time: 00:00:00.018127 Performance: 506.614 ns/day 0.047 hours/ns 29.318 steps/s 2023-02-20 05:14:56,164 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 59.872 -33652 6562 -40214 -40214 12.345 7.3022 -0.39124 6.8681e+05 2023-02-20 05:14:58,007 INFO [main.py:643]
{rank 0/100} MD step = 400800 step time: 00:00:00.018068 Performance: 506.624 ns/day 0.047 hours/ns 29.319 steps/s 2023-02-20 05:14:59,477 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 60.288 -33680 6607.7 -40288 -40288 12.348 7.3061 -0.38894 6.8698e+05 2023-02-20 05:15:01,408 INFO [main.py:643]
{rank 0/100} MD step = 400900 step time: 00:00:00.018374 Performance: 506.625 ns/day 0.047 hours/ns 29.319 steps/s 2023-02-20 05:15:02,789 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 61.069 -33466 6693.2 -40160 -40160 12.35 7.3063 -0.38794 6.8712e+05 2023-02-20 05:15:04,588 INFO [main.py:643]
{rank 0/100} MD step = 401000 step time: 00:00:00.018690 Performance: 506.633 ns/day 0.047 hours/ns 29.319 steps/s 2023-02-20 05:15:05,877 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 59.177 -33715 6485.8 -40201 -40201 12.354 7.309 -0.38761 6.8731e+05 2023-02-20 05:15:07,866 INFO [main.py:643]
{rank 0/100} MD step = 401100 step time: 00:00:00.017966 Performance: 506.638 ns/day 0.047 hours/ns 29.319 steps/s 2023-02-20 05:15:19,756 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 60.743 -33525 6657.5 -40183 -40183 12.358 7.3108 -0.38838 6.8747e+05 2023-02-20 05:15:21,638 INFO [main.py:643]
{rank 0/100} MD step = 401200 step time: 00:00:00.018402 Performance: 506.255 ns/day 0.047 hours/ns 29.297 steps/s 2023-02-20 05:15:27,923 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 59.712 -33584 6544.5 -40128 -40128 12.362 7.3122 -0.38992 6.8767e+05 2023-02-20 05:15:29,873 INFO [main.py:643]
{rank 0/100} MD step = 401300 step time: 00:00:00.018078 Performance: 506.077 ns/day 0.047 hours/ns 29.287 steps/s 2023-02-20 05:15:31,094 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 59.8 -33553 6554.1 -40107 -40107 12.365 7.3134 -0.39011 6.8786e+05 2023-02-20 05:15:33,066 INFO [main.py:643]
{rank 0/100} MD step = 401400 step time: 00:00:00.017958 Performance: 506.085 ns/day 0.047 hours/ns 29.287 steps/s 2023-02-20 05:15:34,906 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 60.134 -33534 6590.7 -40125 -40125 12.371 7.3156 -0.39122 6.8803e+05 2023-02-20 05:15:36,732 INFO [main.py:643]
{rank 0/100} MD step = 401500 step time: 00:00:00.018004 Performance: 506.075 ns/day 0.047 hours/ns 29.287 steps/s 2023-02-20 05:15:38,569 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 59.535 -33568 6525.1 -40093 -40093 12.376 7.3159 -0.39094 6.8823e+05 2023-02-20 05:15:40,475 INFO [main.py:643]
{rank 0/100} MD step = 401600 step time: 00:00:00.018056 Performance: 506.063 ns/day 0.047 hours/ns 29.286 steps/s 2023-02-20 05:15:41,866 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 59.959 -33564 6571.5 -40135 -40135 12.377 7.3191 -0.39087 6.8838e+05 2023-02-20 05:15:43,794 INFO [main.py:643]
{rank 0/100} MD step = 401700 step time: 00:00:00.018038 Performance: 506.067 ns/day 0.047 hours/ns 29.286 steps/s 2023-02-20 05:15:45,261 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 58.969 -33805 6463 -40268 -40268 12.38 7.3203 -0.39151 6.8854e+05 2023-02-20 05:15:47,068 INFO [main.py:643]
{rank 0/100} MD step = 401800 step time: 00:00:00.017907 Performance: 506.072 ns/day 0.047 hours/ns 29.287 steps/s 2023-02-20 05:15:48,257 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 60.612 -33403 6643.2 -40046 -40046 12.384 7.3228 -0.3917 6.8877e+05 2023-02-20 05:15:50,287 INFO [main.py:643]
{rank 0/100} MD step = 401900 step time: 00:00:00.017898 Performance: 506.079 ns/day 0.047 hours/ns 29.287 steps/s 2023-02-20 05:15:54,132 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 401900 80380 59.513 -33641 6522.7 -40164 -40164 12.388 7.3244 -0.39172 6.8891e+05 2023-02-20 05:15:55,991 INFO [main.py:643]
{rank 0/100} MD step = 402000 step time: 00:00:00.018258 Performance: 505.995 ns/day 0.047 hours/ns 29.282 steps/s 2023-02-20 05:15:57,940 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 60.374 -33598 6617.1 -40215 -40215 12.394 7.3264 -0.39141 6.8906e+05 2023-02-20 05:15:59,849 INFO [main.py:643]
{rank 0/100} MD step = 402100 step time: 00:00:00.017999 Performance: 505.979 ns/day 0.047 hours/ns 29.281 steps/s 2023-02-20 05:16:01,109 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 60.633 -33491 6645.5 -40136 -40136 12.397 7.3272 -0.39162 6.8923e+05 2023-02-20 05:16:03,142 INFO [main.py:643]
{rank 0/100} MD step = 402200 step time: 00:00:00.018239 Performance: 505.983 ns/day 0.047 hours/ns 29.281 steps/s 2023-02-20 05:16:04,411 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 60.074 -33527 6584.2 -40111 -40111 12.401 7.3304 -0.39103 6.894e+05 2023-02-20 05:16:06,285 INFO [main.py:643]
{rank 0/100} MD step = 402300 step time: 00:00:00.019215 Performance: 505.993 ns/day 0.047 hours/ns 29.282 steps/s 2023-02-20 05:16:07,518 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 60.714 -33471 6654.3 -40125 -40125 12.403 7.3335 -0.39238 6.8958e+05 2023-02-20 05:16:09,439 INFO [main.py:643]
{rank 0/100} MD step = 402400 step time: 00:00:00.018037 Performance: 506.003 ns/day 0.047 hours/ns 29.283 steps/s 2023-02-20 05:16:10,686 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 59.476 -33498 6518.6 -40017 -40017 12.406 7.3362 -0.3924 6.8979e+05 2023-02-20 05:16:12,830 INFO [main.py:643]
{rank 0/100} MD step = 402500 step time: 00:00:00.032204 Performance: 506.004 ns/day 0.047 hours/ns 29.283 steps/s 2023-02-20 05:16:14,079 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 59.315 -33694 6501 -40195 -40195 12.41 7.337 -0.39327 6.8995e+05 2023-02-20 05:16:16,027 INFO [main.py:643]
{rank 0/100} MD step = 402600 step time: 00:00:00.017982 Performance: 506.012 ns/day 0.047 hours/ns 29.283 steps/s 2023-02-20 05:16:17,185 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 59.648 -33646 6537.5 -40184 -40184 12.414 7.3383 -0.39263 6.9011e+05 2023-02-20 05:16:19,572 INFO [main.py:643]
{rank 0/100} MD step = 402700 step time: 00:00:00.018111 Performance: 506.007 ns/day 0.047 hours/ns 29.283 steps/s 2023-02-20 05:16:20,860 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 60.218 -33438 6600 -40038 -40038 12.418 7.34 -0.39242 6.903e+05 2023-02-20 05:16:22,683 INFO [main.py:643]
{rank 0/100} MD step = 402800 step time: 00:00:00.019243 Performance: 506.018 ns/day 0.047 hours/ns 29.283 steps/s 2023-02-20 05:16:24,096 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 60.882 -33388 6672.8 -40061 -40061 12.421 7.3408 -0.3929 6.9048e+05 2023-02-20 05:16:26,172 INFO [main.py:643]
{rank 0/100} MD step = 402900 step time: 00:00:00.020525 Performance: 506.015 ns/day 0.047 hours/ns 29.283 steps/s 2023-02-20 05:16:27,699 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 59.785 -33625 6552.6 -40177 -40177 12.422 7.342 -0.39323 6.9062e+05 2023-02-20 05:16:29,672 INFO [main.py:643]
{rank 0/100} MD step = 403000 step time: 00:00:00.018399 Performance: 506.012 ns/day 0.047 hours/ns 29.283 steps/s 2023-02-20 05:16:31,087 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 403000 80600 59.68 -33515 6541 -40056 -40056 12.428 7.3437 -0.3936 6.9079e+05 2023-02-20 05:16:32,980 INFO [main.py:643]
{rank 0/100} MD step = 403100 step time: 00:00:00.091867 Performance: 506.016 ns/day 0.047 hours/ns 29.283 steps/s 2023-02-20 05:16:33,852 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 59.128 -33661 6480.5 -40142 -40142 12.432 7.3441 -0.39422 6.9096e+05 2023-02-20 05:16:36,264 INFO [main.py:643]
{rank 0/100} MD step = 403200 step time: 00:00:00.017922 Performance: 506.021 ns/day 0.047 hours/ns 29.284 steps/s 2023-02-20 05:16:37,765 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 59.837 -33639 6558.3 -40197 -40197 12.436 7.3462 -0.39399 6.9111e+05 2023-02-20 05:16:39,586 INFO [main.py:643]
{rank 0/100} MD step = 403300 step time: 00:00:00.017937 Performance: 506.024 ns/day 0.047 hours/ns 29.284 steps/s 2023-02-20 05:16:40,772 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 59.802 -33553 6554.4 -40107 -40107 12.439 7.3473 -0.39454 6.913e+05 2023-02-20 05:16:42,746 INFO [main.py:643]
{rank 0/100} MD step = 403400 step time: 00:00:00.018209 Performance: 506.034 ns/day 0.047 hours/ns 29.284 steps/s 2023-02-20 05:16:43,958 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 59.41 -33569 6511.4 -40080 -40080 12.444 7.3482 -0.39524 6.9148e+05 2023-02-20 05:16:45,872 INFO [main.py:643]
{rank 0/100} MD step = 403500 step time: 00:00:00.018067 Performance: 506.044 ns/day 0.047 hours/ns 29.285 steps/s 2023-02-20 05:16:47,138 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 403500 80700 60.237 -33519 6602 -40121 -40121 12.447 7.3496 -0.396 6.9161e+05 2023-02-20 05:16:49,056 INFO [main.py:643]
{rank 0/100} MD step = 403600 step time: 00:00:00.018015 Performance: 506.053 ns/day 0.047 hours/ns 29.285 steps/s 2023-02-20 05:16:50,385 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 403600 80720 59.117 -33678 6479.3 -40157 -40157 12.451 7.351 -0.39537 6.9182e+05 2023-02-20 05:16:52,266 INFO [main.py:643]
{rank 0/100} MD step = 403700 step time: 00:00:00.019073 Performance: 506.060 ns/day 0.047 hours/ns 29.286 steps/s 2023-02-20 05:16:53,628 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 59.958 -33534 6571.5 -40105 -40105 12.455 7.351 -0.39441 6.9197e+05 2023-02-20 05:16:55,441 INFO [main.py:643]
{rank 0/100} MD step = 403800 step time: 00:00:00.017883 Performance: 506.069 ns/day 0.047 hours/ns 29.286 steps/s 2023-02-20 05:16:56,650 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 403800 80760 60.274 -33424 6606.1 -40030 -40030 12.459 7.3528 -0.39473 6.9217e+05 2023-02-20 05:16:58,613 INFO [main.py:643]
{rank 0/100} MD step = 403900 step time: 00:00:00.018219 Performance: 506.078 ns/day 0.047 hours/ns 29.287 steps/s 2023-02-20 05:16:59,991 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 60.278 -33594 6606.6 -40201 -40201 12.464 7.3537 -0.39654 6.9231e+05 2023-02-20 05:17:01,915 INFO [main.py:643]
{rank 0/100} MD step = 404000 step time: 00:00:00.018087 Performance: 506.082 ns/day 0.047 hours/ns 29.287 steps/s 2023-02-20 05:17:03,533 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 60.634 -33411 6645.6 -40057 -40057 12.469 7.3537 -0.39797 6.9252e+05 2023-02-20 05:17:05,404 INFO [main.py:643]
{rank 0/100} MD step = 404100 step time: 00:00:00.018393 Performance: 506.079 ns/day 0.047 hours/ns 29.287 steps/s 2023-02-20 05:17:06,698 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 59.584 -33557 6530.5 -40088 -40088 12.475 7.3555 -0.39864 6.9268e+05 2023-02-20 05:17:08,566 INFO [main.py:643]
{rank 0/100} MD step = 404200 step time: 00:00:00.017993 Performance: 506.089 ns/day 0.047 hours/ns 29.288 steps/s 2023-02-20 05:17:09,844 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 59.962 -33510 6571.9 -40081 -40081 12.478 7.3565 -0.39909 6.9284e+05 2023-02-20 05:17:11,693 INFO [main.py:643]
{rank 0/100} MD step = 404300 step time: 00:00:00.018010 Performance: 506.099 ns/day 0.047 hours/ns 29.288 steps/s 2023-02-20 05:17:13,329 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 404300 80860 59.605 -33677 6532.7 -40209 -40209 12.481 7.3584 -0.3994 6.9298e+05 2023-02-20 05:17:15,202 INFO [main.py:643]
{rank 0/100} MD step = 404400 step time: 00:00:00.018104 Performance: 506.096 ns/day 0.047 hours/ns 29.288 steps/s 2023-02-20 05:17:16,491 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 61.177 -33404 6705.1 -40109 -40109 12.486 7.3598 -0.39761 6.9316e+05 2023-02-20 05:17:18,377 INFO [main.py:643]
{rank 0/100} MD step = 404500 step time: 00:00:00.018037 Performance: 506.104 ns/day 0.047 hours/ns 29.288 steps/s 2023-02-20 05:17:20,168 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 404500 80900 60.553 -33517 6636.7 -40154 -40154 12.492 7.3613 -0.39819 6.9335e+05 2023-02-20 05:17:22,019 INFO [main.py:643]
{rank 0/100} MD step = 404600 step time: 00:00:00.018023 Performance: 506.096 ns/day 0.047 hours/ns 29.288 steps/s 2023-02-20 05:17:23,266 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 60.124 -33585 6589.7 -40174 -40174 12.496 7.3641 -0.39713 6.9352e+05 2023-02-20 05:17:25,208 INFO [main.py:643]
{rank 0/100} MD step = 404700 step time: 00:00:00.018158 Performance: 506.104 ns/day 0.047 hours/ns 29.288 steps/s 2023-02-20 05:17:28,109 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 404700 80940 59.684 -33586 6541.5 -40127 -40127 12.502 7.3647 -0.3972 6.937e+05 2023-02-20 05:17:29,989 INFO [main.py:643]
{rank 0/100} MD step = 404800 step time: 00:00:00.018097 Performance: 506.054 ns/day 0.047 hours/ns 29.286 steps/s 2023-02-20 05:17:31,109 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 60.277 -33640 6606.5 -40246 -40246 12.507 7.3657 -0.3981 6.9383e+05 2023-02-20 05:17:33,853 INFO [main.py:643]
{rank 0/100} MD step = 404900 step time: 00:00:00.018076 Performance: 506.038 ns/day 0.047 hours/ns 29.285 steps/s 2023-02-20 05:17:36,328 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 60.085 -33573 6585.4 -40158 -40158 12.512 7.3664 -0.39661 6.9403e+05 2023-02-20 05:17:38,308 INFO [main.py:643]
{rank 0/100} MD step = 405000 step time: 00:00:00.017872 Performance: 506.000 ns/day 0.047 hours/ns 29.282 steps/s 2023-02-20 05:17:39,628 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 60.375 -33412 6617.2 -40029 -40029 12.517 7.3685 -0.39522 6.942e+05 2023-02-20 05:17:41,497 INFO [main.py:643]
{rank 0/100} MD step = 405100 step time: 00:00:00.018045 Performance: 506.008 ns/day 0.047 hours/ns 29.283 steps/s 2023-02-20 05:17:43,477 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 59.7 -33615 6543.2 -40158 -40158 12.523 7.3699 -0.39568 6.9438e+05 2023-02-20 05:17:45,404 INFO [main.py:643]
{rank 0/100} MD step = 405200 step time: 00:00:00.017895 Performance: 505.990 ns/day 0.047 hours/ns 29.282 steps/s 2023-02-20 05:17:46,768 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 405200 81040 59.466 -33628 6517.5 -40145 -40145 12.528 7.3697 -0.39624 6.9455e+05 2023-02-20 05:17:48,601 INFO [main.py:643]
{rank 0/100} MD step = 405300 step time: 00:00:00.018084 Performance: 505.998 ns/day 0.047 hours/ns 29.282 steps/s 2023-02-20 05:17:50,270 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 59.78 -33528 6552 -40080 -40080 12.534 7.3697 -0.39352 6.9474e+05 2023-02-20 05:17:52,155 INFO [main.py:643]
{rank 0/100} MD step = 405400 step time: 00:00:00.017994 Performance: 505.993 ns/day 0.047 hours/ns 29.282 steps/s 2023-02-20 05:17:53,024 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 405400 81080 60.122 -33597 6589.5 -40186 -40186 12.538 7.3704 -0.39387 6.9491e+05 2023-02-20 05:17:55,371 INFO [main.py:643]
{rank 0/100} MD step = 405500 step time: 00:00:00.018161 Performance: 506.000 ns/day 0.047 hours/ns 29.282 steps/s 2023-02-20 05:17:56,736 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 59.439 -33583 6514.6 -40098 -40098 12.546 7.3705 -0.39435 6.9511e+05 2023-02-20 05:17:58,548 INFO [main.py:643]
{rank 0/100} MD step = 405600 step time: 00:00:00.018601 Performance: 506.009 ns/day 0.047 hours/ns 29.283 steps/s 2023-02-20 05:17:59,392 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 59.95 -33401 6570.6 -39971 -39971 12.553 7.373 -0.39478 6.9531e+05 2023-02-20 05:18:01,743 INFO [main.py:643]
{rank 0/100} MD step = 405700 step time: 00:00:00.017941 Performance: 506.017 ns/day 0.047 hours/ns 29.283 steps/s 2023-02-20 05:18:03,035 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 405700 81140 59.157 -33528 6483.7 -40012 -40012 12.556 7.3734 -0.3948 6.9549e+05 2023-02-20 05:18:04,926 INFO [main.py:643]
{rank 0/100} MD step = 405800 step time: 00:00:00.018019 Performance: 506.025 ns/day 0.047 hours/ns 29.284 steps/s 2023-02-20 05:18:06,265 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 60.411 -33433 6621.2 -40054 -40054 12.561 7.3744 -0.39453 6.9566e+05 2023-02-20 05:18:08,118 INFO [main.py:643]
{rank 0/100} MD step = 405900 step time: 00:00:00.017942 Performance: 506.034 ns/day 0.047 hours/ns 29.284 steps/s 2023-02-20 05:18:09,531 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 60.889 -33459 6673.6 -40132 -40132 12.568 7.3751 -0.39404 6.9582e+05 2023-02-20 05:18:11,388 INFO [main.py:643]
{rank 0/100} MD step = 406000 step time: 00:00:00.018177 Performance: 506.039 ns/day 0.047 hours/ns 29.285 steps/s 2023-02-20 05:18:12,691 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 60.338 -33559 6613.1 -40172 -40172 12.571 7.3767 -0.39501 6.96e+05 2023-02-20 05:18:14,619 INFO [main.py:643]
{rank 0/100} MD step = 406100 step time: 00:00:00.018076 Performance: 506.046 ns/day 0.047 hours/ns 29.285 steps/s 2023-02-20 05:18:15,928 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 59.047 -33612 6471.6 -40084 -40084 12.575 7.38 -0.39649 6.9617e+05 2023-02-20 05:18:17,776 INFO [main.py:643]
{rank 0/100} MD step = 406200 step time: 00:00:00.018148 Performance: 506.055 ns/day 0.047 hours/ns 29.286 steps/s 2023-02-20 05:18:18,886 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 59.716 -33607 6545 -40151 -40151 12.581 7.3828 -0.39528 6.9635e+05 2023-02-20 05:18:20,974 INFO [main.py:643]
{rank 0/100} MD step = 406300 step time: 00:00:00.018002 Performance: 506.063 ns/day 0.047 hours/ns 29.286 steps/s 2023-02-20 05:18:22,276 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 406300 81260 59.463 -33592 6517.2 -40109 -40109 12.588 7.3834 -0.39505 6.9654e+05 2023-02-20 05:18:24,088 INFO [main.py:643]
{rank 0/100} MD step = 406400 step time: 00:00:00.017802 Performance: 506.074 ns/day 0.047 hours/ns 29.287 steps/s 2023-02-20 05:18:25,536 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 60.554 -33483 6636.8 -40120 -40120 12.593 7.3847 -0.39546 6.9671e+05 2023-02-20 05:18:27,363 INFO [main.py:643]
{rank 0/100} MD step = 406500 step time: 00:00:00.018198 Performance: 506.079 ns/day 0.047 hours/ns 29.287 steps/s 2023-02-20 05:18:28,673 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 59.943 -33631 6569.8 -40201 -40201 12.598 7.3854 -0.39455 6.9688e+05 2023-02-20 05:18:30,545 INFO [main.py:643]
{rank 0/100} MD step = 406600 step time: 00:00:00.018093 Performance: 506.087 ns/day 0.047 hours/ns 29.287 steps/s 2023-02-20 05:18:31,752 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 60.676 -33460 6650.2 -40110 -40110 12.601 7.3876 -0.3937 6.9704e+05 2023-02-20 05:18:33,665 INFO [main.py:643]
{rank 0/100} MD step = 406700 step time: 00:00:00.018065 Performance: 506.098 ns/day 0.047 hours/ns 29.288 steps/s 2023-02-20 05:18:34,909 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 59.032 -33710 6469.9 -40180 -40180 12.606 7.3882 -0.39466 6.9722e+05 2023-02-20 05:18:36,820 INFO [main.py:643]
{rank 0/100} MD step = 406800 step time: 00:00:00.017930 Performance: 506.108 ns/day 0.047 hours/ns 29.289 steps/s 2023-02-20 05:18:38,011 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 60.035 -33596 6579.9 -40176 -40176 12.61 7.3914 -0.39397 6.9738e+05 2023-02-20 05:18:39,995 INFO [main.py:643]
{rank 0/100} MD step = 406900 step time: 00:00:00.018046 Performance: 506.116 ns/day 0.047 hours/ns 29.289 steps/s 2023-02-20 05:18:41,138 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 60.63 -33495 6645.2 -40140 -40140 12.614 7.3937 -0.39402 6.9755e+05 2023-02-20 05:18:43,164 INFO [main.py:643]
{rank 0/100} MD step = 407000 step time: 00:00:00.018338 Performance: 506.125 ns/day 0.047 hours/ns 29.290 steps/s 2023-02-20 05:18:44,497 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 59.544 -33636 6526.1 -40163 -40163 12.62 7.3946 -0.39631 6.9771e+05 2023-02-20 05:18:46,410 INFO [main.py:643]
{rank 0/100} MD step = 407100 step time: 00:00:00.018297 Performance: 506.131 ns/day 0.047 hours/ns 29.290 steps/s 2023-02-20 05:18:47,694 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 407100 81420 59.898 -33624 6564.9 -40189 -40189 12.623 7.3941 -0.39663 6.9791e+05 2023-02-20 05:18:49,590 INFO [main.py:643]
{rank 0/100} MD step = 407200 step time: 00:00:00.018172 Performance: 506.140 ns/day 0.047 hours/ns 29.291 steps/s 2023-02-20 05:18:50,988 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 407200 81440 60.268 -33544 6605.4 -40150 -40150 12.626 7.3961 -0.39534 6.9811e+05 2023-02-20 05:18:52,823 INFO [main.py:643]
{rank 0/100} MD step = 407300 step time: 00:00:00.018707 Performance: 506.146 ns/day 0.047 hours/ns 29.291 steps/s 2023-02-20 05:18:54,127 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 59.555 -33664 6527.3 -40192 -40192 12.632 7.3974 -0.39537 6.9826e+05 2023-02-20 05:18:56,081 INFO [main.py:643]
{rank 0/100} MD step = 407400 step time: 00:00:00.018022 Performance: 506.152 ns/day 0.047 hours/ns 29.291 steps/s 2023-02-20 05:18:57,493 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 60.342 -33446 6613.6 -40060 -40060 12.638 7.3992 -0.39466 6.9844e+05 2023-02-20 05:18:59,354 INFO [main.py:643]
{rank 0/100} MD step = 407500 step time: 00:00:00.018061 Performance: 506.157 ns/day 0.047 hours/ns 29.292 steps/s 2023-02-20 05:19:00,740 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 60.549 -33450 6636.3 -40086 -40086 12.641 7.4008 -0.39219 6.9864e+05 2023-02-20 05:19:02,605 INFO [main.py:643]
{rank 0/100} MD step = 407600 step time: 00:00:00.018007 Performance: 506.163 ns/day 0.047 hours/ns 29.292 steps/s 2023-02-20 05:19:03,878 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 60.254 -33613 6603.9 -40217 -40217 12.647 7.4021 -0.39206 6.9878e+05 2023-02-20 05:19:06,126 INFO [main.py:643]
{rank 0/100} MD step = 407700 step time: 00:00:00.018037 Performance: 506.159 ns/day 0.047 hours/ns 29.292 steps/s 2023-02-20 05:19:07,391 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 59.489 -33801 6520 -40321 -40321 12.652 7.4033 -0.39139 6.9893e+05 2023-02-20 05:19:09,347 INFO [main.py:643]
{rank 0/100} MD step = 407800 step time: 00:00:00.018073 Performance: 506.166 ns/day 0.047 hours/ns 29.292 steps/s 2023-02-20 05:19:10,639 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 58.288 -33668 6388.4 -40057 -40057 12.653 7.4057 -0.39152 6.9913e+05 2023-02-20 05:19:12,643 INFO [main.py:643]
{rank 0/100} MD step = 407900 step time: 00:00:00.018167 Performance: 506.171 ns/day 0.047 hours/ns 29.292 steps/s 2023-02-20 05:19:14,457 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 59.585 -33527 6530.6 -40058 -40058 12.657 7.4062 -0.39027 6.9932e+05 2023-02-20 05:19:16,306 INFO [main.py:643]
{rank 0/100} MD step = 408000 step time: 00:00:00.018019 Performance: 506.162 ns/day 0.047 hours/ns 29.292 steps/s 2023-02-20 05:19:17,695 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 60.841 -33334 6668.2 -40003 -40003 12.661 7.4069 -0.39056 6.9952e+05 2023-02-20 05:19:19,526 INFO [main.py:643]
{rank 0/100} MD step = 408100 step time: 00:00:00.018071 Performance: 506.169 ns/day 0.047 hours/ns 29.292 steps/s 2023-02-20 05:19:20,933 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 60.164 -33599 6594.1 -40194 -40194 12.666 7.4078 -0.39136 6.9967e+05 2023-02-20 05:19:22,810 INFO [main.py:643]
{rank 0/100} MD step = 408200 step time: 00:00:00.018083 Performance: 506.173 ns/day 0.047 hours/ns 29.292 steps/s 2023-02-20 05:19:24,210 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 408200 81640 59.949 -33497 6570.4 -40067 -40067 12.671 7.4108 -0.39119 6.9986e+05 2023-02-20 05:19:26,134 INFO [main.py:643]
{rank 0/100} MD step = 408300 step time: 00:00:00.018146 Performance: 506.177 ns/day 0.047 hours/ns 29.293 steps/s 2023-02-20 05:19:27,050 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 408300 81660 60.32 -33449 6611.2 -40060 -40060 12.675 7.4126 -0.39179 7.0004e+05 2023-02-20 05:19:29,433 INFO [main.py:643]
{rank 0/100} MD step = 408400 step time: 00:00:00.018313 Performance: 506.181 ns/day 0.047 hours/ns 29.293 steps/s 2023-02-20 05:19:30,757 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 60.962 -33403 6681.5 -40084 -40084 12.678 7.4129 -0.39191 7.0019e+05 2023-02-20 05:19:32,683 INFO [main.py:643]
{rank 0/100} MD step = 408500 step time: 00:00:00.018132 Performance: 506.187 ns/day 0.047 hours/ns 29.293 steps/s 2023-02-20 05:19:34,025 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 59.992 -33457 6575.2 -40032 -40032 12.681 7.4152 -0.39276 7.0035e+05 2023-02-20 05:19:35,881 INFO [main.py:643]
{rank 0/100} MD step = 408600 step time: 00:00:00.017978 Performance: 506.195 ns/day 0.047 hours/ns 29.294 steps/s 2023-02-20 05:19:37,456 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 59.883 -33574 6563.2 -40137 -40137 12.685 7.417 -0.39297 7.0049e+05 2023-02-20 05:19:39,300 INFO [main.py:643]
{rank 0/100} MD step = 408700 step time: 00:00:00.018333 Performance: 506.194 ns/day 0.047 hours/ns 29.294 steps/s 2023-02-20 05:19:41,014 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 60.051 -33596 6581.6 -40178 -40178 12.689 7.4176 -0.39238 7.0068e+05 2023-02-20 05:19:42,888 INFO [main.py:643]
{rank 0/100} MD step = 408800 step time: 00:00:00.018049 Performance: 506.188 ns/day 0.047 hours/ns 29.293 steps/s 2023-02-20 05:19:44,177 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 60.065 -33418 6583.2 -40002 -40002 12.696 7.4207 -0.39198 7.0088e+05 2023-02-20 05:19:46,085 INFO [main.py:643]
{rank 0/100} MD step = 408900 step time: 00:00:00.018205 Performance: 506.196 ns/day 0.047 hours/ns 29.294 steps/s 2023-02-20 05:19:47,570 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 60.173 -33595 6595.1 -40190 -40190 12.701 7.4243 -0.39153 7.0101e+05 2023-02-20 05:19:49,460 INFO [main.py:643]
{rank 0/100} MD step = 409000 step time: 00:00:00.018057 Performance: 506.197 ns/day 0.047 hours/ns 29.294 steps/s 2023-02-20 05:19:50,201 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 61.082 -33453 6694.6 -40148 -40148 12.706 7.4257 -0.39284 7.0119e+05 2023-02-20 05:19:52,573 INFO [main.py:643]
{rank 0/100} MD step = 409100 step time: 00:00:00.021788 Performance: 506.208 ns/day 0.047 hours/ns 29.294 steps/s 2023-02-20 05:19:53,922 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 60.517 -33452 6632.7 -40084 -40084 12.712 7.4261 -0.39218 7.0139e+05 2023-02-20 05:19:55,765 INFO [main.py:643]
{rank 0/100} MD step = 409200 step time: 00:00:00.018134 Performance: 506.216 ns/day 0.047 hours/ns 29.295 steps/s 2023-02-20 05:19:57,135 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 60.2 -33416 6598 -40014 -40014 12.717 7.4275 -0.39098 7.0159e+05 2023-02-20 05:19:58,996 INFO [main.py:643]
{rank 0/100} MD step = 409300 step time: 00:00:00.018130 Performance: 506.223 ns/day 0.047 hours/ns 29.295 steps/s 2023-02-20 05:20:00,378 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 60.171 -33483 6594.8 -40078 -40078 12.722 7.4291 -0.39233 7.0173e+05 2023-02-20 05:20:02,281 INFO [main.py:643]
{rank 0/100} MD step = 409400 step time: 00:00:00.018046 Performance: 506.227 ns/day 0.047 hours/ns 29.296 steps/s 2023-02-20 05:20:03,629 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 59.757 -33442 6549.5 -39992 -39992 12.727 7.4297 -0.39433 7.0189e+05 2023-02-20 05:20:05,512 INFO [main.py:643]
{rank 0/100} MD step = 409500 step time: 00:00:00.018094 Performance: 506.234 ns/day 0.047 hours/ns 29.296 steps/s 2023-02-20 05:20:06,819 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 60.101 -33482 6587.1 -40069 -40069 12.733 7.4309 -0.39526 7.0207e+05 2023-02-20 05:20:08,739 INFO [main.py:643]
{rank 0/100} MD step = 409600 step time: 00:00:00.018126 Performance: 506.241 ns/day 0.047 hours/ns 29.296 steps/s 2023-02-20 05:20:10,111 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 409600 81920 60.502 -33610 6631.1 -40241 -40241 12.735 7.432 -0.39501 7.0223e+05 2023-02-20 05:20:11,936 INFO [main.py:643]
{rank 0/100} MD step = 409700 step time: 00:00:00.017993 Performance: 506.249 ns/day 0.047 hours/ns 29.297 steps/s 2023-02-20 05:20:13,151 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 59.504 -33586 6521.8 -40108 -40108 12.742 7.4306 -0.39377 7.024e+05 2023-02-20 05:20:15,088 INFO [main.py:643]
{rank 0/100} MD step = 409800 step time: 00:00:00.018241 Performance: 506.258 ns/day 0.047 hours/ns 29.297 steps/s 2023-02-20 05:20:16,458 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 58.987 -33687 6465.1 -40152 -40152 12.748 7.4321 -0.39572 7.0258e+05 2023-02-20 05:20:18,400 INFO [main.py:643]
{rank 0/100} MD step = 409900 step time: 00:00:00.018021 Performance: 506.262 ns/day 0.047 hours/ns 29.298 steps/s 2023-02-20 05:20:19,625 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 61.406 -33403 6730.1 -40133 -40133 12.755 7.4324 -0.39652 7.0274e+05 2023-02-20 05:20:21,520 INFO [main.py:643]
{rank 0/100} MD step = 410000 step time: 00:00:00.018416 Performance: 506.272 ns/day 0.047 hours/ns 29.298 steps/s 2023-02-20 05:20:22,715 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 59.022 -33778 6468.8 -40247 -40247 12.759 7.433 -0.39774 7.029e+05 2023-02-20 05:20:24,663 INFO [main.py:643]
{rank 0/100} MD step = 410100 step time: 00:00:00.018159 Performance: 506.282 ns/day 0.047 hours/ns 29.299 steps/s 2023-02-20 05:20:25,957 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 60.424 -33522 6622.6 -40144 -40144 12.765 7.434 -0.39665 7.0308e+05 2023-02-20 05:20:27,917 INFO [main.py:643]
{rank 0/100} MD step = 410200 step time: 00:00:00.020896 Performance: 506.288 ns/day 0.047 hours/ns 29.299 steps/s 2023-02-20 05:20:29,240 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 59.944 -33538 6569.9 -40108 -40108 12.768 7.4355 -0.39681 7.0327e+05 2023-02-20 05:20:31,186 INFO [main.py:643]
{rank 0/100} MD step = 410300 step time: 00:00:00.018089 Performance: 506.293 ns/day 0.047 hours/ns 29.299 steps/s 2023-02-20 05:20:32,714 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 59.192 -33678 6487.6 -40165 -40165 12.771 7.4362 -0.39703 7.034e+05 2023-02-20 05:20:34,635 INFO [main.py:643]
{rank 0/100} MD step = 410400 step time: 00:00:00.018006 Performance: 506.292 ns/day 0.047 hours/ns 29.299 steps/s 2023-02-20 05:20:36,016 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 410400 82080 59.983 -33454 6574.2 -40028 -40028 12.776 7.438 -0.3972 7.036e+05 2023-02-20 05:20:37,953 INFO [main.py:643]
{rank 0/100} MD step = 410500 step time: 00:00:00.020938 Performance: 506.295 ns/day 0.047 hours/ns 29.299 steps/s 2023-02-20 05:20:39,329 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 59.906 -33628 6565.7 -40194 -40194 12.783 7.4408 -0.39815 7.0374e+05 2023-02-20 05:20:41,253 INFO [main.py:643]
{rank 0/100} MD step = 410600 step time: 00:00:00.018088 Performance: 506.299 ns/day 0.047 hours/ns 29.300 steps/s 2023-02-20 05:20:42,656 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 60.061 -33454 6582.8 -40037 -40037 12.789 7.4413 -0.39787 7.0393e+05 2023-02-20 05:20:44,591 INFO [main.py:643]
{rank 0/100} MD step = 410700 step time: 00:00:00.018135 Performance: 506.302 ns/day 0.047 hours/ns 29.300 steps/s 2023-02-20 05:20:45,994 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 59.327 -33556 6502.3 -40058 -40058 12.792 7.4434 -0.39928 7.0411e+05 2023-02-20 05:20:47,911 INFO [main.py:643]
{rank 0/100} MD step = 410800 step time: 00:00:00.020810 Performance: 506.305 ns/day 0.047 hours/ns 29.300 steps/s 2023-02-20 05:20:49,217 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 59.279 -33540 6497 -40037 -40037 12.796 7.4441 -0.39909 7.0425e+05 2023-02-20 05:20:51,194 INFO [main.py:643]
{rank 0/100} MD step = 410900 step time: 00:00:00.018067 Performance: 506.310 ns/day 0.047 hours/ns 29.300 steps/s 2023-02-20 05:20:52,669 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 410900 82180 60.2 -33554 6598 -40152 -40152 12.802 7.4477 -0.39678 7.0441e+05 2023-02-20 05:20:54,530 INFO [main.py:643]
{rank 0/100} MD step = 411000 step time: 00:00:00.032766 Performance: 506.313 ns/day 0.047 hours/ns 29.301 steps/s 2023-02-20 05:20:56,205 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 59.911 -33374 6566.3 -39940 -39940 12.808 7.4508 -0.39595 7.0463e+05 2023-02-20 05:20:58,125 INFO [main.py:643]
{rank 0/100} MD step = 411100 step time: 00:00:00.018124 Performance: 506.306 ns/day 0.047 hours/ns 29.300 steps/s 2023-02-20 05:21:00,175 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 60.078 -33455 6584.7 -40040 -40040 12.814 7.4525 -0.39606 7.0478e+05 2023-02-20 05:21:02,105 INFO [main.py:643]
{rank 0/100} MD step = 411200 step time: 00:00:00.018147 Performance: 506.286 ns/day 0.047 hours/ns 29.299 steps/s 2023-02-20 05:21:03,853 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 411200 82240 59.548 -33616 6526.5 -40143 -40143 12.818 7.4558 -0.39646 7.0495e+05 2023-02-20 05:21:05,738 INFO [main.py:643]
{rank 0/100} MD step = 411300 step time: 00:00:00.018026 Performance: 506.278 ns/day 0.047 hours/ns 29.298 steps/s 2023-02-20 05:21:07,920 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 411300 82260 60.48 -33556 6628.7 -40184 -40184 12.823 7.4563 -0.39598 7.0511e+05 2023-02-20 05:21:09,816 INFO [main.py:643]
{rank 0/100} MD step = 411400 step time: 00:00:00.018007 Performance: 506.254 ns/day 0.047 hours/ns 29.297 steps/s 2023-02-20 05:21:11,179 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 59.982 -33606 6574.1 -40180 -40180 12.829 7.4587 -0.39503 7.053e+05 2023-02-20 05:21:13,173 INFO [main.py:643]
{rank 0/100} MD step = 411500 step time: 00:00:00.017923 Performance: 506.256 ns/day 0.047 hours/ns 29.297 steps/s 2023-02-20 05:21:15,247 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 59.88 -33699 6563 -40262 -40262 12.833 7.4619 -0.39397 7.0543e+05 2023-02-20 05:21:17,190 INFO [main.py:643]
{rank 0/100} MD step = 411600 step time: 00:00:00.018142 Performance: 506.234 ns/day 0.047 hours/ns 29.296 steps/s 2023-02-20 05:21:19,246 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 59.824 -33564 6556.8 -40121 -40121 12.841 7.4642 -0.39562 7.0561e+05 2023-02-20 05:21:21,784 INFO [main.py:643]
{rank 0/100} MD step = 411700 step time: 00:00:00.018101 Performance: 506.192 ns/day 0.047 hours/ns 29.294 steps/s 2023-02-20 05:21:23,573 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 411700 82340 60.34 -33613 6613.4 -40227 -40227 12.845 7.4671 -0.39568 7.0576e+05 2023-02-20 05:21:25,518 INFO [main.py:643]
{rank 0/100} MD step = 411800 step time: 00:00:00.018613 Performance: 506.180 ns/day 0.047 hours/ns 29.293 steps/s 2023-02-20 05:21:26,990 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 59.766 -33715 6550.5 -40265 -40265 12.851 7.4699 -0.39728 7.0594e+05 2023-02-20 05:21:28,961 INFO [main.py:643]
{rank 0/100} MD step = 411900 step time: 00:00:00.018145 Performance: 506.179 ns/day 0.047 hours/ns 29.293 steps/s 2023-02-20 05:21:30,692 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 59.375 -33615 6507.6 -40122 -40122 12.856 7.4739 -0.39784 7.0612e+05 2023-02-20 05:21:32,657 INFO [main.py:643]
{rank 0/100} MD step = 412000 step time: 00:00:00.018014 Performance: 506.169 ns/day 0.047 hours/ns 29.292 steps/s 2023-02-20 05:21:33,941 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 59.382 -33680 6508.3 -40188 -40188 12.859 7.4749 -0.39884 7.0631e+05 2023-02-20 05:21:35,953 INFO [main.py:643]
{rank 0/100} MD step = 412100 step time: 00:00:00.018964 Performance: 506.173 ns/day 0.047 hours/ns 29.292 steps/s 2023-02-20 05:21:37,231 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 59.009 -33618 6467.5 -40085 -40085 12.864 7.474 -0.39847 7.0648e+05 2023-02-20 05:21:39,236 INFO [main.py:643]
{rank 0/100} MD step = 412200 step time: 00:00:00.018229 Performance: 506.178 ns/day 0.047 hours/ns 29.293 steps/s 2023-02-20 05:21:40,656 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 60.101 -33515 6587.1 -40102 -40102 12.87 7.4758 -0.39842 7.0662e+05 2023-02-20 05:21:42,570 INFO [main.py:643]
{rank 0/100} MD step = 412300 step time: 00:00:00.018293 Performance: 506.181 ns/day 0.047 hours/ns 29.293 steps/s 2023-02-20 05:21:44,331 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 59.372 -33562 6507.3 -40069 -40069 12.877 7.4769 -0.39951 7.0681e+05 2023-02-20 05:21:46,245 INFO [main.py:643]
{rank 0/100} MD step = 412400 step time: 00:00:00.018463 Performance: 506.171 ns/day 0.047 hours/ns 29.292 steps/s 2023-02-20 05:21:47,732 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 59.97 -33554 6572.8 -40127 -40127 12.881 7.4784 -0.39826 7.0699e+05 2023-02-20 05:21:49,745 INFO [main.py:643]
{rank 0/100} MD step = 412500 step time: 00:00:00.018685 Performance: 506.168 ns/day 0.047 hours/ns 29.292 steps/s 2023-02-20 05:21:51,044 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 59.791 -33609 6553.1 -40162 -40162 12.886 7.4778 -0.39816 7.0711e+05 2023-02-20 05:21:52,988 INFO [main.py:643]
{rank 0/100} MD step = 412600 step time: 00:00:00.017974 Performance: 506.174 ns/day 0.047 hours/ns 29.293 steps/s 2023-02-20 05:21:54,725 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 412600 82520 59.879 -33686 6562.9 -40249 -40249 12.89 7.4811 -0.39777 7.0727e+05 2023-02-20 05:21:56,714 INFO [main.py:643]
{rank 0/100} MD step = 412700 step time: 00:00:00.018156 Performance: 506.163 ns/day 0.047 hours/ns 29.292 steps/s 2023-02-20 05:21:57,691 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 59.656 -33501 6538.4 -40039 -40039 12.895 7.4835 -0.39652 7.0747e+05 2023-02-20 05:22:00,154 INFO [main.py:643]
{rank 0/100} MD step = 412800 step time: 00:00:00.017925 Performance: 506.162 ns/day 0.047 hours/ns 29.292 steps/s 2023-02-20 05:22:01,622 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 60.127 -33540 6590 -40130 -40130 12.903 7.4838 -0.39619 7.0759e+05 2023-02-20 05:22:03,484 INFO [main.py:643]
{rank 0/100} MD step = 412900 step time: 00:00:00.018460 Performance: 506.165 ns/day 0.047 hours/ns 29.292 steps/s 2023-02-20 05:22:04,868 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 59.881 -33617 6563.1 -40180 -40180 12.908 7.4834 -0.39692 7.0777e+05 2023-02-20 05:22:06,690 INFO [main.py:643]
{rank 0/100} MD step = 413000 step time: 00:00:00.017984 Performance: 506.173 ns/day 0.047 hours/ns 29.292 steps/s 2023-02-20 05:22:08,108 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 413000 82600 60.193 -33496 6597.2 -40094 -40094 12.914 7.4867 -0.39633 7.0794e+05 2023-02-20 05:22:10,001 INFO [main.py:643]
{rank 0/100} MD step = 413100 step time: 00:00:00.018086 Performance: 506.176 ns/day 0.047 hours/ns 29.293 steps/s 2023-02-20 05:22:11,402 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 59.056 -33708 6472.6 -40180 -40180 12.92 7.4879 -0.39788 7.0814e+05 2023-02-20 05:22:13,250 INFO [main.py:643]
{rank 0/100} MD step = 413200 step time: 00:00:00.017957 Performance: 506.182 ns/day 0.047 hours/ns 29.293 steps/s 2023-02-20 05:22:14,556 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 59.578 -33597 6529.8 -40127 -40127 12.924 7.4891 -0.39789 7.0832e+05 2023-02-20 05:22:16,423 INFO [main.py:643]
{rank 0/100} MD step = 413300 step time: 00:00:00.018592 Performance: 506.191 ns/day 0.047 hours/ns 29.293 steps/s 2023-02-20 05:22:17,750 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 59.706 -33682 6543.8 -40226 -40226 12.929 7.491 -0.39852 7.0847e+05 2023-02-20 05:22:19,706 INFO [main.py:643]
{rank 0/100} MD step = 413400 step time: 00:00:00.018269 Performance: 506.196 ns/day 0.047 hours/ns 29.294 steps/s 2023-02-20 05:22:21,088 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 60.79 -33558 6662.7 -40221 -40221 12.931 7.4921 -0.40048 7.0866e+05 2023-02-20 05:22:22,916 INFO [main.py:643]
{rank 0/100} MD step = 413500 step time: 00:00:00.018862 Performance: 506.203 ns/day 0.047 hours/ns 29.294 steps/s 2023-02-20 05:22:24,079 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 60.59 -33489 6640.7 -40130 -40130 12.936 7.4926 -0.40198 7.0886e+05 2023-02-20 05:22:25,975 INFO [main.py:643]
{rank 0/100} MD step = 413600 step time: 00:00:00.018401 Performance: 506.216 ns/day 0.047 hours/ns 29.295 steps/s 2023-02-20 05:22:27,311 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 60.554 -33399 6636.8 -40036 -40036 12.941 7.4948 -0.40315 7.0902e+05 2023-02-20 05:22:29,164 INFO [main.py:643]
{rank 0/100} MD step = 413700 step time: 00:00:00.018109 Performance: 506.224 ns/day 0.047 hours/ns 29.295 steps/s 2023-02-20 05:22:30,373 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 60.53 -33417 6634.1 -40051 -40051 12.945 7.4953 -0.40229 7.0917e+05 2023-02-20 05:22:32,336 INFO [main.py:643]
{rank 0/100} MD step = 413800 step time: 00:00:00.017984 Performance: 506.232 ns/day 0.047 hours/ns 29.296 steps/s 2023-02-20 05:22:33,693 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 413800 82760 60.288 -33482 6607.6 -40089 -40089 12.95 7.4976 -0.40424 7.0934e+05 2023-02-20 05:22:35,585 INFO [main.py:643]
{rank 0/100} MD step = 413900 step time: 00:00:00.018075 Performance: 506.238 ns/day 0.047 hours/ns 29.296 steps/s 2023-02-20 05:22:36,852 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 60.565 -33449 6638 -40087 -40087 12.956 7.499 -0.4039 7.0949e+05 2023-02-20 05:22:38,757 INFO [main.py:643]
{rank 0/100} MD step = 414000 step time: 00:00:00.018074 Performance: 506.247 ns/day 0.047 hours/ns 29.297 steps/s 2023-02-20 05:22:39,952 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 60.553 -33456 6636.7 -40093 -40093 12.96 7.5 -0.40359 7.0967e+05 2023-02-20 05:22:41,931 INFO [main.py:643]
{rank 0/100} MD step = 414100 step time: 00:00:00.018039 Performance: 506.256 ns/day 0.047 hours/ns 29.297 steps/s 2023-02-20 05:22:43,167 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 414100 82820 59.79 -33642 6553.1 -40195 -40195 12.965 7.5009 -0.40403 7.0984e+05 2023-02-20 05:22:45,071 INFO [main.py:643]
{rank 0/100} MD step = 414200 step time: 00:00:00.020139 Performance: 506.265 ns/day 0.047 hours/ns 29.298 steps/s 2023-02-20 05:22:46,248 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 59.889 -33480 6564 -40044 -40044 12.971 7.5027 -0.40426 7.1005e+05 2023-02-20 05:22:48,223 INFO [main.py:643]
{rank 0/100} MD step = 414300 step time: 00:00:00.018304 Performance: 506.275 ns/day 0.047 hours/ns 29.298 steps/s 2023-02-20 05:22:49,823 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 59.776 -33423 6551.5 -39975 -39975 12.975 7.505 -0.40419 7.1021e+05 2023-02-20 05:22:51,710 INFO [main.py:643]
{rank 0/100} MD step = 414400 step time: 00:00:00.018231 Performance: 506.272 ns/day 0.047 hours/ns 29.298 steps/s 2023-02-20 05:22:53,007 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 61.253 -33500 6713.5 -40214 -40214 12.981 7.5058 -0.40372 7.1035e+05 2023-02-20 05:22:54,930 INFO [main.py:643]
{rank 0/100} MD step = 414500 step time: 00:00:00.018123 Performance: 506.279 ns/day 0.047 hours/ns 29.299 steps/s 2023-02-20 05:22:56,266 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 60.888 -33451 6673.4 -40124 -40124 12.987 7.5085 -0.40328 7.1054e+05 2023-02-20 05:22:58,086 INFO [main.py:643]
{rank 0/100} MD step = 414600 step time: 00:00:00.018479 Performance: 506.288 ns/day 0.047 hours/ns 29.299 steps/s 2023-02-20 05:22:58,894 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 59.46 -33542 6516.9 -40058 -40058 12.99 7.5091 -0.40286 7.107e+05 2023-02-20 05:23:01,258 INFO [main.py:643]
{rank 0/100} MD step = 414700 step time: 00:00:00.018046 Performance: 506.297 ns/day 0.047 hours/ns 29.300 steps/s 2023-02-20 05:23:02,547 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 59.258 -33585 6494.7 -40080 -40080 12.996 7.5088 -0.40551 7.1086e+05 2023-02-20 05:23:04,451 INFO [main.py:643]
{rank 0/100} MD step = 414800 step time: 00:00:00.018119 Performance: 506.305 ns/day 0.047 hours/ns 29.300 steps/s 2023-02-20 05:23:05,767 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 59.984 -33508 6574.3 -40082 -40082 13.002 7.5106 -0.40587 7.1102e+05 2023-02-20 05:23:07,626 INFO [main.py:643]
{rank 0/100} MD step = 414900 step time: 00:00:00.018008 Performance: 506.313 ns/day 0.047 hours/ns 29.301 steps/s 2023-02-20 05:23:08,856 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 60.528 -33580 6633.9 -40214 -40214 13.007 7.5115 -0.40515 7.1117e+05 2023-02-20 05:23:10,750 INFO [main.py:643]
{rank 0/100} MD step = 415000 step time: 00:00:00.018087 Performance: 506.324 ns/day 0.047 hours/ns 29.301 steps/s 2023-02-20 05:23:11,949 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 59.917 -33621 6566.9 -40188 -40188 13.011 7.5137 -0.40378 7.1137e+05 2023-02-20 05:23:13,857 INFO [main.py:643]
{rank 0/100} MD step = 415100 step time: 00:00:00.018636 Performance: 506.334 ns/day 0.047 hours/ns 29.302 steps/s 2023-02-20 05:23:15,137 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 60.946 -33402 6679.8 -40082 -40082 13.016 7.5143 -0.40322 7.1154e+05 2023-02-20 05:23:16,999 INFO [main.py:643]
{rank 0/100} MD step = 415200 step time: 00:00:00.018327 Performance: 506.344 ns/day 0.047 hours/ns 29.302 steps/s 2023-02-20 05:23:18,250 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 59.485 -33524 6519.7 -40044 -40044 13.021 7.5152 -0.40307 7.1173e+05 2023-02-20 05:23:20,182 INFO [main.py:643]
{rank 0/100} MD step = 415300 step time: 00:00:00.018169 Performance: 506.352 ns/day 0.047 hours/ns 29.303 steps/s 2023-02-20 05:23:21,603 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 60.527 -33447 6633.9 -40081 -40081 13.027 7.5175 -0.40448 7.1187e+05 2023-02-20 05:23:23,420 INFO [main.py:643]
{rank 0/100} MD step = 415400 step time: 00:00:00.017901 Performance: 506.359 ns/day 0.047 hours/ns 29.303 steps/s 2023-02-20 05:23:24,823 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 59.443 -33649 6515 -40164 -40164 13.032 7.5177 -0.40478 7.1207e+05 2023-02-20 05:23:26,673 INFO [main.py:643]
{rank 0/100} MD step = 415500 step time: 00:00:00.021868 Performance: 506.364 ns/day 0.047 hours/ns 29.303 steps/s 2023-02-20 05:23:27,468 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 60.807 -33588 6664.5 -40253 -40253 13.039 7.5208 -0.40598 7.1219e+05 2023-02-20 05:23:29,829 INFO [main.py:643]
{rank 0/100} MD step = 415600 step time: 00:00:00.018144 Performance: 506.373 ns/day 0.047 hours/ns 29.304 steps/s 2023-02-20 05:23:31,167 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 59.936 -33619 6569 -40188 -40188 13.043 7.5219 -0.40694 7.1235e+05 2023-02-20 05:23:32,991 INFO [main.py:643]
{rank 0/100} MD step = 415700 step time: 00:00:00.017948 Performance: 506.382 ns/day 0.047 hours/ns 29.305 steps/s 2023-02-20 05:23:34,345 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 59.497 -33480 6521 -40001 -40001 13.047 7.5246 -0.40678 7.1257e+05 2023-02-20 05:23:36,161 INFO [main.py:643]
{rank 0/100} MD step = 415800 step time: 00:00:00.018064 Performance: 506.391 ns/day 0.047 hours/ns 29.305 steps/s 2023-02-20 05:23:37,597 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 60.303 -33629 6609.3 -40238 -40238 13.052 7.5258 -0.4066 7.1269e+05 2023-02-20 05:23:39,481 INFO [main.py:643]
{rank 0/100} MD step = 415900 step time: 00:00:00.018146 Performance: 506.394 ns/day 0.047 hours/ns 29.305 steps/s 2023-02-20 05:23:40,811 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 59.902 -33655 6565.4 -40220 -40220 13.056 7.5264 -0.40507 7.1286e+05 2023-02-20 05:23:42,732 INFO [main.py:643]
{rank 0/100} MD step = 416000 step time: 00:00:00.018103 Performance: 506.400 ns/day 0.047 hours/ns 29.306 steps/s 2023-02-20 05:23:44,028 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 59.595 -33610 6531.6 -40142 -40142 13.061 7.5275 -0.40633 7.1305e+05 2023-02-20 05:23:45,895 INFO [main.py:643]
{rank 0/100} MD step = 416100 step time: 00:00:00.018086 Performance: 506.409 ns/day 0.047 hours/ns 29.306 steps/s 2023-02-20 05:23:47,190 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 59.962 -33477 6571.9 -40049 -40049 13.068 7.5303 -0.40678 7.1323e+05 2023-02-20 05:23:49,027 INFO [main.py:643]
{rank 0/100} MD step = 416200 step time: 00:00:00.018022 Performance: 506.419 ns/day 0.047 hours/ns 29.307 steps/s 2023-02-20 05:23:50,349 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 60.031 -33563 6579.5 -40142 -40142 13.072 7.5328 -0.40525 7.1336e+05 2023-02-20 05:23:52,219 INFO [main.py:643]
{rank 0/100} MD step = 416300 step time: 00:00:00.018013 Performance: 506.427 ns/day 0.047 hours/ns 29.307 steps/s 2023-02-20 05:23:53,025 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 59.618 -33561 6534.2 -40095 -40095 13.077 7.5345 -0.40499 7.1355e+05 2023-02-20 05:23:55,395 INFO [main.py:643]
{rank 0/100} MD step = 416400 step time: 00:00:00.018111 Performance: 506.435 ns/day 0.047 hours/ns 29.308 steps/s 2023-02-20 05:23:56,649 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 59.367 -33707 6506.7 -40214 -40214 13.083 7.5355 -0.4059 7.1371e+05 2023-02-20 05:23:58,528 INFO [main.py:643]
{rank 0/100} MD step = 416500 step time: 00:00:00.017889 Performance: 506.445 ns/day 0.047 hours/ns 29.308 steps/s 2023-02-20 05:23:59,945 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 59.922 -33650 6567.5 -40217 -40217 13.087 7.5384 -0.40757 7.1387e+05 2023-02-20 05:24:01,797 INFO [main.py:643]
{rank 0/100} MD step = 416600 step time: 00:00:00.018125 Performance: 506.450 ns/day 0.047 hours/ns 29.308 steps/s 2023-02-20 05:24:03,038 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 416600 83320 59.803 -33578 6554.5 -40133 -40133 13.092 7.5398 -0.40717 7.1407e+05 2023-02-20 05:24:04,939 INFO [main.py:643]
{rank 0/100} MD step = 416700 step time: 00:00:00.018400 Performance: 506.460 ns/day 0.047 hours/ns 29.309 steps/s 2023-02-20 05:24:06,315 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 59.529 -33493 6524.4 -40018 -40018 13.099 7.5419 -0.40665 7.1426e+05 2023-02-20 05:24:08,172 INFO [main.py:643]
{rank 0/100} MD step = 416800 step time: 00:00:00.017844 Performance: 506.466 ns/day 0.047 hours/ns 29.309 steps/s 2023-02-20 05:24:09,474 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 60.422 -33532 6622.3 -40154 -40154 13.105 7.5422 -0.40779 7.1441e+05 2023-02-20 05:24:11,365 INFO [main.py:643]
{rank 0/100} MD step = 416900 step time: 00:00:00.019882 Performance: 506.474 ns/day 0.047 hours/ns 29.310 steps/s 2023-02-20 05:24:12,698 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 60.039 -33717 6580.3 -40298 -40298 13.108 7.5454 -0.40918 7.1457e+05 2023-02-20 05:24:14,538 INFO [main.py:643]
{rank 0/100} MD step = 417000 step time: 00:00:00.017864 Performance: 506.483 ns/day 0.047 hours/ns 29.310 steps/s 2023-02-20 05:24:15,901 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 59.989 -33570 6574.9 -40145 -40145 13.116 7.5479 -0.41085 7.1472e+05 2023-02-20 05:24:17,741 INFO [main.py:643]
{rank 0/100} MD step = 417100 step time: 00:00:00.019152 Performance: 506.490 ns/day 0.047 hours/ns 29.311 steps/s 2023-02-20 05:24:19,060 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 417100 83420 60.245 -33575 6602.9 -40177 -40177 13.121 7.5495 -0.41073 7.1489e+05 2023-02-20 05:24:20,941 INFO [main.py:643]
{rank 0/100} MD step = 417200 step time: 00:00:00.018046 Performance: 506.498 ns/day 0.047 hours/ns 29.311 steps/s 2023-02-20 05:24:22,334 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 60.793 -33437 6663 -40100 -40100 13.125 7.5513 -0.41111 7.1508e+05 2023-02-20 05:24:24,228 INFO [main.py:643]
{rank 0/100} MD step = 417300 step time: 00:00:00.017951 Performance: 506.502 ns/day 0.047 hours/ns 29.311 steps/s 2023-02-20 05:24:25,504 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 59.379 -33566 6508 -40074 -40074 13.13 7.5534 -0.41179 7.1525e+05 2023-02-20 05:24:27,416 INFO [main.py:643]
{rank 0/100} MD step = 417400 step time: 00:00:00.017976 Performance: 506.510 ns/day 0.047 hours/ns 29.312 steps/s 2023-02-20 05:24:28,723 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 60.46 -33483 6626.5 -40110 -40110 13.134 7.5536 -0.41151 7.1542e+05 2023-02-20 05:24:30,524 INFO [main.py:643]
{rank 0/100} MD step = 417500 step time: 00:00:00.018107 Performance: 506.521 ns/day 0.047 hours/ns 29.313 steps/s 2023-02-20 05:24:31,317 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 59.685 -33546 6541.5 -40087 -40087 13.139 7.5552 -0.41254 7.156e+05 2023-02-20 05:24:33,687 INFO [main.py:643]
{rank 0/100} MD step = 417600 step time: 00:00:00.018088 Performance: 506.530 ns/day 0.047 hours/ns 29.313 steps/s 2023-02-20 05:24:35,018 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 59.74 -33639 6547.6 -40187 -40187 13.144 7.5549 -0.41167 7.1573e+05 2023-02-20 05:24:36,861 INFO [main.py:643]
{rank 0/100} MD step = 417700 step time: 00:00:00.018285 Performance: 506.538 ns/day 0.047 hours/ns 29.314 steps/s 2023-02-20 05:24:38,186 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 417700 83540 59.489 -33636 6520.1 -40156 -40156 13.148 7.5577 -0.41307 7.1593e+05 2023-02-20 05:24:40,100 INFO [main.py:643]
{rank 0/100} MD step = 417800 step time: 00:00:00.018209 Performance: 506.544 ns/day 0.047 hours/ns 29.314 steps/s 2023-02-20 05:24:41,352 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 59.771 -33775 6551 -40326 -40326 13.153 7.5597 -0.41314 7.1606e+05 2023-02-20 05:24:43,303 INFO [main.py:643]
{rank 0/100} MD step = 417900 step time: 00:00:00.018189 Performance: 506.552 ns/day 0.047 hours/ns 29.314 steps/s 2023-02-20 05:24:44,563 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 60.011 -33531 6577.3 -40108 -40108 13.159 7.5624 -0.41378 7.1628e+05 2023-02-20 05:24:46,432 INFO [main.py:643]
{rank 0/100} MD step = 418000 step time: 00:00:00.018021 Performance: 506.562 ns/day 0.047 hours/ns 29.315 steps/s 2023-02-20 05:24:47,714 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 59.61 -33664 6533.4 -40198 -40198 13.161 7.565 -0.4129 7.1643e+05 2023-02-20 05:24:49,629 INFO [main.py:643]
{rank 0/100} MD step = 418100 step time: 00:00:00.017980 Performance: 506.569 ns/day 0.047 hours/ns 29.315 steps/s 2023-02-20 05:24:50,921 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 60.486 -33440 6629.3 -40069 -40069 13.166 7.5676 -0.4127 7.1664e+05 2023-02-20 05:24:52,822 INFO [main.py:643]
{rank 0/100} MD step = 418200 step time: 00:00:00.017934 Performance: 506.577 ns/day 0.047 hours/ns 29.316 steps/s 2023-02-20 05:24:54,145 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 59.703 -33590 6543.6 -40133 -40133 13.172 7.5687 -0.41048 7.1681e+05 2023-02-20 05:24:55,966 INFO [main.py:643]
{rank 0/100} MD step = 418300 step time: 00:00:00.018138 Performance: 506.586 ns/day 0.047 hours/ns 29.316 steps/s 2023-02-20 05:24:57,252 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 60.752 -33383 6658.5 -40042 -40042 13.176 7.5713 -0.40922 7.1699e+05 2023-02-20 05:24:59,075 INFO [main.py:643]
{rank 0/100} MD step = 418400 step time: 00:00:00.018352 Performance: 506.597 ns/day 0.047 hours/ns 29.317 steps/s 2023-02-20 05:25:00,284 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 59.49 -33579 6520.2 -40099 -40099 13.18 7.5726 -0.41013 7.1712e+05 2023-02-20 05:25:02,235 INFO [main.py:643]
{rank 0/100} MD step = 418500 step time: 00:00:00.018303 Performance: 506.606 ns/day 0.047 hours/ns 29.317 steps/s 2023-02-20 05:25:03,473 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 60.893 -33588 6674 -40262 -40262 13.184 7.5736 -0.41145 7.1729e+05 2023-02-20 05:25:05,360 INFO [main.py:643]
{rank 0/100} MD step = 418600 step time: 00:00:00.018332 Performance: 506.616 ns/day 0.047 hours/ns 29.318 steps/s 2023-02-20 05:25:06,662 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 59.376 -33692 6507.6 -40199 -40199 13.189 7.5749 -0.41088 7.1748e+05 2023-02-20 05:25:08,516 INFO [main.py:643]
{rank 0/100} MD step = 418700 step time: 00:00:00.018151 Performance: 506.625 ns/day 0.047 hours/ns 29.319 steps/s 2023-02-20 05:25:09,841 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 60.327 -33353 6611.9 -39965 -39965 13.194 7.5763 -0.41252 7.1767e+05 2023-02-20 05:25:11,671 INFO [main.py:643]
{rank 0/100} MD step = 418800 step time: 00:00:00.018208 Performance: 506.634 ns/day 0.047 hours/ns 29.319 steps/s 2023-02-20 05:25:13,129 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 60.625 -33389 6644.6 -40034 -40034 13.198 7.5779 -0.41408 7.1785e+05 2023-02-20 05:25:15,051 INFO [main.py:643]
{rank 0/100} MD step = 418900 step time: 00:00:00.018035 Performance: 506.635 ns/day 0.047 hours/ns 29.319 steps/s 2023-02-20 05:25:20,455 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 59.025 -33756 6469.2 -40225 -40225 13.203 7.5809 -0.41549 7.18e+05 2023-02-20 05:25:22,344 INFO [main.py:643]
{rank 0/100} MD step = 419000 step time: 00:00:00.017918 Performance: 506.498 ns/day 0.047 hours/ns 29.311 steps/s 2023-02-20 05:25:24,643 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 419000 83800 60.906 -33476 6675.4 -40152 -40152 13.208 7.5814 -0.41528 7.1819e+05 2023-02-20 05:25:26,533 INFO [main.py:643]
{rank 0/100} MD step = 419100 step time: 00:00:00.017948 Performance: 506.470 ns/day 0.047 hours/ns 29.310 steps/s 2023-02-20 05:25:27,917 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 59.789 -33597 6553 -40150 -40150 13.215 7.5816 -0.41397 7.1836e+05 2023-02-20 05:25:29,759 INFO [main.py:643]
{rank 0/100} MD step = 419200 step time: 00:00:00.018409 Performance: 506.477 ns/day 0.047 hours/ns 29.310 steps/s 2023-02-20 05:25:32,117 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 59.787 -33685 6552.7 -40238 -40238 13.219 7.5847 -0.41347 7.1852e+05 2023-02-20 05:25:33,994 INFO [main.py:643]
{rank 0/100} MD step = 419300 step time: 00:00:00.018064 Performance: 506.448 ns/day 0.047 hours/ns 29.308 steps/s 2023-02-20 05:25:35,243 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 59.549 -33544 6526.6 -40070 -40070 13.224 7.586 -0.41242 7.1874e+05 2023-02-20 05:25:37,150 INFO [main.py:643]
{rank 0/100} MD step = 419400 step time: 00:00:00.018062 Performance: 506.457 ns/day 0.047 hours/ns 29.309 steps/s 2023-02-20 05:25:38,393 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 58.727 -33691 6436.5 -40127 -40127 13.229 7.5875 -0.41282 7.1892e+05 2023-02-20 05:25:40,345 INFO [main.py:643]
{rank 0/100} MD step = 419500 step time: 00:00:00.018240 Performance: 506.464 ns/day 0.047 hours/ns 29.309 steps/s 2023-02-20 05:25:41,502 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 60.635 -33529 6645.6 -40175 -40175 13.234 7.5892 -0.41423 7.1904e+05 2023-02-20 05:25:43,460 INFO [main.py:643]
{rank 0/100} MD step = 419600 step time: 00:00:00.018059 Performance: 506.475 ns/day 0.047 hours/ns 29.310 steps/s 2023-02-20 05:25:44,780 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 59.752 -33593 6548.8 -40142 -40142 13.236 7.5901 -0.41333 7.1923e+05 2023-02-20 05:25:46,629 INFO [main.py:643]
{rank 0/100} MD step = 419700 step time: 00:00:00.018020 Performance: 506.483 ns/day 0.047 hours/ns 29.310 steps/s 2023-02-20 05:25:47,963 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 59.474 -33633 6518.5 -40152 -40152 13.238 7.5923 -0.41542 7.194e+05 2023-02-20 05:25:49,862 INFO [main.py:643]
{rank 0/100} MD step = 419800 step time: 00:00:00.018044 Performance: 506.490 ns/day 0.047 hours/ns 29.311 steps/s 2023-02-20 05:25:51,204 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 60.903 -33467 6675 -40142 -40142 13.244 7.5938 -0.41621 7.1959e+05 2023-02-20 05:25:53,027 INFO [main.py:643]
{rank 0/100} MD step = 419900 step time: 00:00:00.017993 Performance: 506.499 ns/day 0.047 hours/ns 29.311 steps/s 2023-02-20 05:25:54,259 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 60.011 -33619 6577.3 -40196 -40196 13.249 7.5952 -0.41589 7.1977e+05 2023-02-20 05:25:56,203 INFO [main.py:643]
{rank 0/100} MD step = 420000 step time: 00:00:00.017904 Performance: 506.507 ns/day 0.047 hours/ns 29.312 steps/s 2023-02-20 05:25:57,475 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 60.425 -33486 6622.7 -40109 -40109 13.256 7.5968 -0.416 7.1994e+05 2023-02-20 05:25:59,371 INFO [main.py:643]
{rank 0/100} MD step = 420100 step time: 00:00:00.018028 Performance: 506.515 ns/day 0.047 hours/ns 29.312 steps/s 2023-02-20 05:26:00,731 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 59.514 -33537 6522.8 -40060 -40060 13.261 7.5981 -0.41475 7.2012e+05 2023-02-20 05:26:02,553 INFO [main.py:643]
{rank 0/100} MD step = 420200 step time: 00:00:00.018044 Performance: 506.524 ns/day 0.047 hours/ns 29.313 steps/s 2023-02-20 05:26:03,888 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 59.86 -33515 6560.7 -40076 -40076 13.265 7.5998 -0.4144 7.203e+05 2023-02-20 05:26:06,735 INFO [main.py:643]
{rank 0/100} MD step = 420300 step time: 00:00:00.018018 Performance: 506.496 ns/day 0.047 hours/ns 29.311 steps/s 2023-02-20 05:26:07,804 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 60.543 -33523 6635.6 -40159 -40159 13.271 7.6014 -0.41501 7.2047e+05 2023-02-20 05:26:10,081 INFO [main.py:643]
{rank 0/100} MD step = 420400 step time: 00:00:00.018029 Performance: 506.499 ns/day 0.047 hours/ns 29.311 steps/s 2023-02-20 05:26:11,316 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 60.16 -33486 6593.6 -40080 -40080 13.275 7.6041 -0.41609 7.2065e+05 2023-02-20 05:26:13,233 INFO [main.py:643]
{rank 0/100} MD step = 420500 step time: 00:00:00.018288 Performance: 506.508 ns/day 0.047 hours/ns 29.312 steps/s 2023-02-20 05:26:14,308 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 59.819 -33615 6556.2 -40172 -40172 13.282 7.6055 -0.41634 7.2085e+05 2023-02-20 05:26:16,729 INFO [main.py:643]
{rank 0/100} MD step = 420600 step time: 00:00:00.018071 Performance: 506.505 ns/day 0.047 hours/ns 29.312 steps/s 2023-02-20 05:26:18,033 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 60.361 -33455 6615.7 -40071 -40071 13.285 7.6079 -0.41381 7.2103e+05 2023-02-20 05:26:19,876 INFO [main.py:643]
{rank 0/100} MD step = 420700 step time: 00:00:00.018083 Performance: 506.514 ns/day 0.047 hours/ns 29.312 steps/s 2023-02-20 05:26:21,218 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 59.755 -33583 6549.2 -40132 -40132 13.29 7.6098 -0.41254 7.2117e+05 2023-02-20 05:26:23,105 INFO [main.py:643]
{rank 0/100} MD step = 420800 step time: 00:00:00.018012 Performance: 506.521 ns/day 0.047 hours/ns 29.313 steps/s 2023-02-20 05:26:24,021 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 59.875 -33573 6562.4 -40135 -40135 13.295 7.6108 -0.41397 7.2136e+05 2023-02-20 05:26:26,518 INFO [main.py:643]
{rank 0/100} MD step = 420900 step time: 00:00:00.018195 Performance: 506.521 ns/day 0.047 hours/ns 29.313 steps/s 2023-02-20 05:26:27,793 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 59.287 -33511 6497.9 -40009 -40009 13.301 7.6128 -0.41385 7.2153e+05 2023-02-20 05:26:29,743 INFO [main.py:643]
{rank 0/100} MD step = 421000 step time: 00:00:00.019016 Performance: 506.527 ns/day 0.047 hours/ns 29.313 steps/s 2023-02-20 05:26:30,986 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 59.794 -33604 6553.5 -40157 -40157 13.305 7.6146 -0.41408 7.2169e+05 2023-02-20 05:26:33,016 INFO [main.py:643]
{rank 0/100} MD step = 421100 step time: 00:00:00.018085 Performance: 506.532 ns/day 0.047 hours/ns 29.313 steps/s 2023-02-20 05:26:34,210 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 59.488 -33700 6519.9 -40220 -40220 13.31 7.6169 -0.41406 7.2186e+05 2023-02-20 05:26:36,209 INFO [main.py:643]
{rank 0/100} MD step = 421200 step time: 00:00:00.018009 Performance: 506.540 ns/day 0.047 hours/ns 29.314 steps/s 2023-02-20 05:26:37,700 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 421200 84240 60.442 -33469 6624.5 -40094 -40094 13.312 7.6192 -0.41395 7.2206e+05 2023-02-20 05:26:39,592 INFO [main.py:643]
{rank 0/100} MD step = 421300 step time: 00:00:00.018717 Performance: 506.541 ns/day 0.047 hours/ns 29.314 steps/s 2023-02-20 05:26:41,061 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 60.35 -33449 6614.4 -40063 -40063 13.315 7.6206 -0.41601 7.2224e+05 2023-02-20 05:26:42,915 INFO [main.py:643]
{rank 0/100} MD step = 421400 step time: 00:00:00.018658 Performance: 506.544 ns/day 0.047 hours/ns 29.314 steps/s 2023-02-20 05:26:44,234 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 59.402 -33579 6510.6 -40089 -40089 13.318 7.6223 -0.41655 7.2243e+05 2023-02-20 05:26:46,089 INFO [main.py:643]
{rank 0/100} MD step = 421500 step time: 00:00:00.018255 Performance: 506.552 ns/day 0.047 hours/ns 29.314 steps/s 2023-02-20 05:26:47,471 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 59.911 -33613 6566.3 -40180 -40180 13.322 7.6243 -0.41646 7.2261e+05 2023-02-20 05:26:49,299 INFO [main.py:643]
{rank 0/100} MD step = 421600 step time: 00:00:00.017957 Performance: 506.559 ns/day 0.047 hours/ns 29.315 steps/s 2023-02-20 05:26:50,611 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 421600 84320 60.457 -33486 6626.1 -40112 -40112 13.326 7.6264 -0.41554 7.2277e+05 2023-02-20 05:26:52,490 INFO [main.py:643]
{rank 0/100} MD step = 421700 step time: 00:00:00.017949 Performance: 506.567 ns/day 0.047 hours/ns 29.315 steps/s 2023-02-20 05:26:54,099 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 60.049 -33537 6581.4 -40118 -40118 13.332 7.628 -0.41559 7.2293e+05 2023-02-20 05:26:55,940 INFO [main.py:643]
{rank 0/100} MD step = 421800 step time: 00:00:00.018008 Performance: 506.566 ns/day 0.047 hours/ns 29.315 steps/s 2023-02-20 05:26:57,234 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 59.733 -33685 6546.8 -40231 -40231 13.333 7.6289 -0.41343 7.2306e+05 2023-02-20 05:26:59,637 INFO [main.py:643]
{rank 0/100} MD step = 421900 step time: 00:00:00.018056 Performance: 506.556 ns/day 0.047 hours/ns 29.315 steps/s 2023-02-20 05:27:01,043 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 59.978 -33604 6573.7 -40178 -40178 13.337 7.6306 -0.41271 7.2323e+05 2023-02-20 05:27:02,882 INFO [main.py:643]
{rank 0/100} MD step = 422000 step time: 00:00:00.018165 Performance: 506.562 ns/day 0.047 hours/ns 29.315 steps/s 2023-02-20 05:27:04,141 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 60.551 -33483 6636.5 -40120 -40120 13.342 7.6318 -0.41372 7.2342e+05 2023-02-20 05:27:06,028 INFO [main.py:643]
{rank 0/100} MD step = 422100 step time: 00:00:00.017981 Performance: 506.571 ns/day 0.047 hours/ns 29.315 steps/s 2023-02-20 05:27:07,338 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 60.316 -33554 6610.8 -40165 -40165 13.347 7.6325 -0.4119 7.2359e+05 2023-02-20 05:27:09,189 INFO [main.py:643]
{rank 0/100} MD step = 422200 step time: 00:00:00.017850 Performance: 506.580 ns/day 0.047 hours/ns 29.316 steps/s 2023-02-20 05:27:10,548 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 59.886 -33590 6563.6 -40153 -40153 13.352 7.6331 -0.41174 7.2376e+05 2023-02-20 05:27:12,463 INFO [main.py:643]
{rank 0/100} MD step = 422300 step time: 00:00:00.018021 Performance: 506.584 ns/day 0.047 hours/ns 29.316 steps/s 2023-02-20 05:27:14,177 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 59.56 -33592 6527.9 -40120 -40120 13.357 7.6369 -0.4122 7.2398e+05 2023-02-20 05:27:16,167 INFO [main.py:643]
{rank 0/100} MD step = 422400 step time: 00:00:00.017849 Performance: 506.574 ns/day 0.047 hours/ns 29.316 steps/s 2023-02-20 05:27:17,608 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 59.762 -33400 6550 -39950 -39950 13.363 7.6378 -0.41206 7.2417e+05 2023-02-20 05:27:19,485 INFO [main.py:643]
{rank 0/100} MD step = 422500 step time: 00:00:00.018149 Performance: 506.577 ns/day 0.047 hours/ns 29.316 steps/s 2023-02-20 05:27:20,950 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 60.045 -33470 6581 -40051 -40051 13.366 7.6404 -0.41048 7.2431e+05 2023-02-20 05:27:22,768 INFO [main.py:643]
{rank 0/100} MD step = 422600 step time: 00:00:00.018095 Performance: 506.582 ns/day 0.047 hours/ns 29.316 steps/s 2023-02-20 05:27:24,504 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 60.23 -33618 6601.2 -40219 -40219 13.371 7.6436 -0.41052 7.2444e+05 2023-02-20 05:27:26,422 INFO [main.py:643]
{rank 0/100} MD step = 422700 step time: 00:00:00.018172 Performance: 506.573 ns/day 0.047 hours/ns 29.316 steps/s 2023-02-20 05:27:27,762 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 59.928 -33478 6568.2 -40046 -40046 13.376 7.646 -0.4105 7.2463e+05 2023-02-20 05:27:29,610 INFO [main.py:643]
{rank 0/100} MD step = 422800 step time: 00:00:00.018976 Performance: 506.581 ns/day 0.047 hours/ns 29.316 steps/s 2023-02-20 05:27:31,372 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 59.958 -33595 6571.5 -40167 -40167 13.379 7.6474 -0.4102 7.2479e+05 2023-02-20 05:27:33,282 INFO [main.py:643]
{rank 0/100} MD step = 422900 step time: 00:00:00.018374 Performance: 506.572 ns/day 0.047 hours/ns 29.316 steps/s 2023-02-20 05:27:34,104 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 59.778 -33558 6551.8 -40109 -40109 13.382 7.6485 -0.41065 7.2494e+05 2023-02-20 05:27:36,540 INFO [main.py:643]
{rank 0/100} MD step = 423000 step time: 00:00:00.017927 Performance: 506.577 ns/day 0.047 hours/ns 29.316 steps/s 2023-02-20 05:27:37,803 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 60.406 -33560 6620.6 -40181 -40181 13.386 7.6495 -0.41039 7.2508e+05 2023-02-20 05:27:39,749 INFO [main.py:643]
{rank 0/100} MD step = 423100 step time: 00:00:00.018130 Performance: 506.585 ns/day 0.047 hours/ns 29.316 steps/s 2023-02-20 05:27:41,162 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 59.934 -33548 6568.8 -40117 -40117 13.391 7.6507 -0.40924 7.253e+05 2023-02-20 05:27:42,995 INFO [main.py:643]
{rank 0/100} MD step = 423200 step time: 00:00:00.018052 Performance: 506.590 ns/day 0.047 hours/ns 29.317 steps/s 2023-02-20 05:27:44,270 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 60.17 -33453 6594.7 -40047 -40047 13.397 7.6499 -0.41108 7.255e+05 2023-02-20 05:27:46,112 INFO [main.py:643]
{rank 0/100} MD step = 423300 step time: 00:00:00.017941 Performance: 506.601 ns/day 0.047 hours/ns 29.317 steps/s 2023-02-20 05:27:47,518 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 423300 84660 59.766 -33666 6550.4 -40216 -40216 13.402 7.654 -0.40981 7.2565e+05 2023-02-20 05:27:49,402 INFO [main.py:643]
{rank 0/100} MD step = 423400 step time: 00:00:00.018069 Performance: 506.605 ns/day 0.047 hours/ns 29.317 steps/s 2023-02-20 05:27:50,715 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 60.564 -33429 6637.9 -40067 -40067 13.408 7.6574 -0.40901 7.2582e+05 2023-02-20 05:27:52,563 INFO [main.py:643]
{rank 0/100} MD step = 423500 step time: 00:00:00.018371 Performance: 506.614 ns/day 0.047 hours/ns 29.318 steps/s 2023-02-20 05:27:53,849 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 60.212 -33437 6599.3 -40037 -40037 13.411 7.6585 -0.40861 7.2597e+05 2023-02-20 05:27:55,701 INFO [main.py:643]
{rank 0/100} MD step = 423600 step time: 00:00:00.017905 Performance: 506.623 ns/day 0.047 hours/ns 29.318 steps/s 2023-02-20 05:27:56,931 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 423600 84720 60.653 -33437 6647.6 -40084 -40084 13.414 7.6586 -0.40953 7.2616e+05 2023-02-20 05:27:58,859 INFO [main.py:643]
{rank 0/100} MD step = 423700 step time: 00:00:00.018810 Performance: 506.632 ns/day 0.047 hours/ns 29.319 steps/s 2023-02-20 05:28:00,254 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 60.861 -33520 6670.5 -40191 -40191 13.418 7.6607 -0.40991 7.2629e+05 2023-02-20 05:28:02,064 INFO [main.py:643]
{rank 0/100} MD step = 423800 step time: 00:00:00.018386 Performance: 506.639 ns/day 0.047 hours/ns 29.319 steps/s 2023-02-20 05:28:03,459 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 60.903 -33380 6675 -40055 -40055 13.422 7.6617 -0.40925 7.2649e+05 2023-02-20 05:28:05,339 INFO [main.py:643]
{rank 0/100} MD step = 423900 step time: 00:00:00.018193 Performance: 506.644 ns/day 0.047 hours/ns 29.320 steps/s 2023-02-20 05:28:06,667 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 60.77 -33480 6660.4 -40140 -40140 13.427 7.6653 -0.41132 7.2662e+05 2023-02-20 05:28:08,519 INFO [main.py:643]
{rank 0/100} MD step = 424000 step time: 00:00:00.018068 Performance: 506.652 ns/day 0.047 hours/ns 29.320 steps/s 2023-02-20 05:28:09,861 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 60.05 -33486 6581.5 -40068 -40068 13.432 7.6656 -0.41176 7.2678e+05 2023-02-20 05:28:11,804 INFO [main.py:643]
{rank 0/100} MD step = 424100 step time: 00:00:00.018196 Performance: 506.657 ns/day 0.047 hours/ns 29.320 steps/s 2023-02-20 05:28:13,057 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 59.224 -33624 6491.1 -40115 -40115 13.436 7.6681 -0.41012 7.2695e+05 2023-02-20 05:28:14,952 INFO [main.py:643]
{rank 0/100} MD step = 424200 step time: 00:00:00.018020 Performance: 506.666 ns/day 0.047 hours/ns 29.321 steps/s 2023-02-20 05:28:16,305 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 59.96 -33661 6571.7 -40232 -40232 13.441 7.6692 -0.40973 7.2709e+05 2023-02-20 05:28:18,155 INFO [main.py:643]
{rank 0/100} MD step = 424300 step time: 00:00:00.018440 Performance: 506.673 ns/day 0.047 hours/ns 29.321 steps/s 2023-02-20 05:28:19,437 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 424300 84860 60.069 -33554 6583.7 -40138 -40138 13.444 7.6694 -0.41006 7.2728e+05 2023-02-20 05:28:21,333 INFO [main.py:643]
{rank 0/100} MD step = 424400 step time: 00:00:00.032298 Performance: 506.681 ns/day 0.047 hours/ns 29.322 steps/s 2023-02-20 05:28:22,784 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 424400 84880 60.426 -33564 6622.7 -40187 -40187 13.449 7.6709 -0.41066 7.2743e+05 2023-02-20 05:28:24,648 INFO [main.py:643]
{rank 0/100} MD step = 424500 step time: 00:00:00.018060 Performance: 506.685 ns/day 0.047 hours/ns 29.322 steps/s 2023-02-20 05:28:25,915 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 424500 84900 60.337 -33585 6613 -40198 -40198 13.454 7.6713 -0.41107 7.276e+05 2023-02-20 05:28:27,834 INFO [main.py:643]
{rank 0/100} MD step = 424600 step time: 00:00:00.018915 Performance: 506.692 ns/day 0.047 hours/ns 29.322 steps/s 2023-02-20 05:28:29,216 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 59.499 -33500 6521.2 -40021 -40021 13.458 7.6714 -0.41143 7.2781e+05 2023-02-20 05:28:31,077 INFO [main.py:643]
{rank 0/100} MD step = 424700 step time: 00:00:00.018037 Performance: 506.698 ns/day 0.047 hours/ns 29.323 steps/s 2023-02-20 05:28:32,320 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 61.161 -33454 6703.3 -40157 -40157 13.465 7.6736 -0.41074 7.2801e+05 2023-02-20 05:28:34,234 INFO [main.py:643]
{rank 0/100} MD step = 424800 step time: 00:00:00.018251 Performance: 506.707 ns/day 0.047 hours/ns 29.323 steps/s 2023-02-20 05:28:35,831 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 60.133 -33538 6590.7 -40128 -40128 13.47 7.6762 -0.41143 7.282e+05 2023-02-20 05:28:37,685 INFO [main.py:643]
{rank 0/100} MD step = 424900 step time: 00:00:00.018008 Performance: 506.706 ns/day 0.047 hours/ns 29.323 steps/s 2023-02-20 05:28:38,973 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 60.036 -33599 6580.1 -40179 -40179 13.475 7.6781 -0.41074 7.2835e+05 2023-02-20 05:28:40,901 INFO [main.py:643]
{rank 0/100} MD step = 425000 step time: 00:00:00.018084 Performance: 506.712 ns/day 0.047 hours/ns 29.324 steps/s 2023-02-20 05:28:42,187 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 59.498 -33713 6521 -40234 -40234 13.479 7.6814 -0.41105 7.285e+05 2023-02-20 05:28:44,098 INFO [main.py:643]
{rank 0/100} MD step = 425100 step time: 00:00:00.018555 Performance: 506.720 ns/day 0.047 hours/ns 29.324 steps/s 2023-02-20 05:28:45,544 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 59.787 -33528 6552.7 -40081 -40081 13.482 7.6838 -0.41175 7.2866e+05 2023-02-20 05:28:47,401 INFO [main.py:643]
{rank 0/100} MD step = 425200 step time: 00:00:00.017922 Performance: 506.724 ns/day 0.047 hours/ns 29.324 steps/s 2023-02-20 05:28:48,667 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 58.88 -33770 6453.3 -40223 -40223 13.485 7.6842 -0.41099 7.2883e+05 2023-02-20 05:28:50,526 INFO [main.py:643]
{rank 0/100} MD step = 425300 step time: 00:00:00.018210 Performance: 506.734 ns/day 0.047 hours/ns 29.325 steps/s 2023-02-20 05:28:51,769 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 61.017 -33447 6687.6 -40134 -40134 13.488 7.6868 -0.41128 7.2904e+05 2023-02-20 05:28:53,636 INFO [main.py:643]
{rank 0/100} MD step = 425400 step time: 00:00:00.017967 Performance: 506.744 ns/day 0.047 hours/ns 29.325 steps/s 2023-02-20 05:28:54,956 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 60.75 -33524 6658.2 -40182 -40182 13.492 7.6887 -0.41269 7.292e+05 2023-02-20 05:28:56,820 INFO [main.py:643]
{rank 0/100} MD step = 425500 step time: 00:00:00.018178 Performance: 506.752 ns/day 0.047 hours/ns 29.326 steps/s 2023-02-20 05:28:58,067 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 60.153 -33537 6592.8 -40130 -40130 13.495 7.6913 -0.41253 7.2938e+05 2023-02-20 05:29:00,019 INFO [main.py:643]
{rank 0/100} MD step = 425600 step time: 00:00:00.017995 Performance: 506.759 ns/day 0.047 hours/ns 29.326 steps/s 2023-02-20 05:29:00,780 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 59.886 -33615 6563.6 -40179 -40179 13.499 7.6928 -0.41159 7.2953e+05 2023-02-20 05:29:03,136 INFO [main.py:643]
{rank 0/100} MD step = 425700 step time: 00:00:00.018331 Performance: 506.770 ns/day 0.047 hours/ns 29.327 steps/s 2023-02-20 05:29:04,524 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 425700 85140 60.49 -33507 6629.7 -40137 -40137 13.504 7.6931 -0.41287 7.2972e+05 2023-02-20 05:29:06,394 INFO [main.py:643]
{rank 0/100} MD step = 425800 step time: 00:00:00.017951 Performance: 506.775 ns/day 0.047 hours/ns 29.327 steps/s 2023-02-20 05:29:07,759 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 60.193 -33527 6597.2 -40124 -40124 13.508 7.6938 -0.41184 7.2991e+05 2023-02-20 05:29:09,600 INFO [main.py:643]
{rank 0/100} MD step = 425900 step time: 00:00:00.020166 Performance: 506.782 ns/day 0.047 hours/ns 29.328 steps/s 2023-02-20 05:29:11,323 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 60.454 -33531 6625.9 -40157 -40157 13.512 7.6951 -0.41168 7.3006e+05 2023-02-20 05:29:13,172 INFO [main.py:643]
{rank 0/100} MD step = 426000 step time: 00:00:00.018111 Performance: 506.776 ns/day 0.047 hours/ns 29.327 steps/s 2023-02-20 05:29:14,528 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 426000 85200 60.985 -33419 6684 -40102 -40102 13.514 7.6957 -0.41107 7.3022e+05 2023-02-20 05:29:16,470 INFO [main.py:643]
{rank 0/100} MD step = 426100 step time: 00:00:00.018062 Performance: 506.780 ns/day 0.047 hours/ns 29.328 steps/s 2023-02-20 05:29:17,820 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 426100 85220 59.826 -33526 6557 -40083 -40083 13.518 7.6956 -0.41317 7.3041e+05 2023-02-20 05:29:19,680 INFO [main.py:643]
{rank 0/100} MD step = 426200 step time: 00:00:00.018012 Performance: 506.787 ns/day 0.047 hours/ns 29.328 steps/s 2023-02-20 05:29:20,973 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 426200 85240 59.78 -33541 6552 -40093 -40093 13.523 7.6982 -0.41488 7.3058e+05 2023-02-20 05:29:22,873 INFO [main.py:643]
{rank 0/100} MD step = 426300 step time: 00:00:00.018244 Performance: 506.795 ns/day 0.047 hours/ns 29.328 steps/s 2023-02-20 05:29:24,228 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 60.683 -33419 6650.9 -40070 -40070 13.526 7.6984 -0.41459 7.3075e+05 2023-02-20 05:29:26,074 INFO [main.py:643]
{rank 0/100} MD step = 426400 step time: 00:00:00.018243 Performance: 506.802 ns/day 0.047 hours/ns 29.329 steps/s 2023-02-20 05:29:26,848 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 60.629 -33617 6645 -40262 -40262 13.531 7.6998 -0.41482 7.3087e+05 2023-02-20 05:29:29,240 INFO [main.py:643]
{rank 0/100} MD step = 426500 step time: 00:00:00.018325 Performance: 506.810 ns/day 0.047 hours/ns 29.329 steps/s 2023-02-20 05:29:30,584 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 426500 85300 60.92 -33350 6677 -40027 -40027 13.536 7.7007 -0.41534 7.3108e+05 2023-02-20 05:29:32,435 INFO [main.py:643]
{rank 0/100} MD step = 426600 step time: 00:00:00.018126 Performance: 506.818 ns/day 0.047 hours/ns 29.330 steps/s 2023-02-20 05:29:33,742 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 61.015 -33378 6687.4 -40065 -40065 13.54 7.7033 -0.41557 7.3125e+05 2023-02-20 05:29:35,553 INFO [main.py:643]
{rank 0/100} MD step = 426700 step time: 00:00:00.018227 Performance: 506.828 ns/day 0.047 hours/ns 29.330 steps/s 2023-02-20 05:29:36,796 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 426700 85340 59.822 -33665 6556.6 -40221 -40221 13.545 7.7049 -0.41667 7.3138e+05 2023-02-20 05:29:38,765 INFO [main.py:643]
{rank 0/100} MD step = 426800 step time: 00:00:00.018076 Performance: 506.835 ns/day 0.047 hours/ns 29.331 steps/s 2023-02-20 05:29:40,333 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 60.567 -33425 6638.2 -40063 -40063 13.551 7.7069 -0.41765 7.3158e+05 2023-02-20 05:29:42,286 INFO [main.py:643]
{rank 0/100} MD step = 426900 step time: 00:00:00.018250 Performance: 506.831 ns/day 0.047 hours/ns 29.331 steps/s 2023-02-20 05:29:43,552 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 59.566 -33670 6528.5 -40199 -40199 13.554 7.7072 -0.4205 7.3172e+05 2023-02-20 05:29:45,410 INFO [main.py:643]
{rank 0/100} MD step = 427000 step time: 00:00:00.018025 Performance: 506.841 ns/day 0.047 hours/ns 29.331 steps/s 2023-02-20 05:29:46,772 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 59.784 -33508 6552.4 -40061 -40061 13.559 7.7097 -0.4212 7.3188e+05 2023-02-20 05:29:48,684 INFO [main.py:643]
{rank 0/100} MD step = 427100 step time: 00:00:00.017994 Performance: 506.846 ns/day 0.047 hours/ns 29.331 steps/s 2023-02-20 05:29:49,933 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 60.248 -33431 6603.3 -40034 -40034 13.564 7.7137 -0.42117 7.3206e+05 2023-02-20 05:29:51,825 INFO [main.py:643]
{rank 0/100} MD step = 427200 step time: 00:00:00.017939 Performance: 506.855 ns/day 0.047 hours/ns 29.332 steps/s 2023-02-20 05:29:53,138 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 59.935 -33335 6569 -39904 -39904 13.567 7.716 -0.42143 7.3223e+05 2023-02-20 05:29:54,949 INFO [main.py:643]
{rank 0/100} MD step = 427300 step time: 00:00:00.018102 Performance: 506.865 ns/day 0.047 hours/ns 29.332 steps/s 2023-02-20 05:29:56,306 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 60.526 -33430 6633.7 -40063 -40063 13.572 7.7164 -0.42269 7.3238e+05 2023-02-20 05:29:58,165 INFO [main.py:643]
{rank 0/100} MD step = 427400 step time: 00:00:00.018070 Performance: 506.872 ns/day 0.047 hours/ns 29.333 steps/s 2023-02-20 05:29:59,467 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 60.085 -33475 6585.4 -40061 -40061 13.579 7.718 -0.4237 7.3251e+05 2023-02-20 05:30:01,312 INFO [main.py:643]
{rank 0/100} MD step = 427500 step time: 00:00:00.018341 Performance: 506.881 ns/day 0.047 hours/ns 29.333 steps/s 2023-02-20 05:30:02,775 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 59.925 -33538 6567.8 -40105 -40105 13.584 7.7191 -0.42349 7.327e+05 2023-02-20 05:30:04,610 INFO [main.py:643]
{rank 0/100} MD step = 427600 step time: 00:00:00.017965 Performance: 506.885 ns/day 0.047 hours/ns 29.334 steps/s 2023-02-20 05:30:05,911 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 60.724 -33387 6655.4 -40042 -40042 13.586 7.7213 -0.42473 7.3284e+05 2023-02-20 05:30:07,822 INFO [main.py:643]
{rank 0/100} MD step = 427700 step time: 00:00:00.018289 Performance: 506.892 ns/day 0.047 hours/ns 29.334 steps/s 2023-02-20 05:30:09,064 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 427700 85540 59.574 -33717 6529.4 -40246 -40246 13.592 7.725 -0.42585 7.3296e+05 2023-02-20 05:30:10,993 INFO [main.py:643]
{rank 0/100} MD step = 427800 step time: 00:00:00.018397 Performance: 506.900 ns/day 0.047 hours/ns 29.334 steps/s 2023-02-20 05:30:12,429 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 59.778 -33639 6551.7 -40191 -40191 13.597 7.7262 -0.42608 7.3316e+05 2023-02-20 05:30:14,511 INFO [main.py:643]
{rank 0/100} MD step = 427900 step time: 00:00:00.017937 Performance: 506.896 ns/day 0.047 hours/ns 29.334 steps/s 2023-02-20 05:30:15,744 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 60.471 -33447 6627.7 -40074 -40074 13.599 7.7273 -0.427 7.3334e+05 2023-02-20 05:30:17,606 INFO [main.py:643]
{rank 0/100} MD step = 428000 step time: 00:00:00.017953 Performance: 506.907 ns/day 0.047 hours/ns 29.335 steps/s 2023-02-20 05:30:18,834 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 60.704 -33648 6653.3 -40301 -40301 13.603 7.7311 -0.42749 7.3346e+05 2023-02-20 05:30:20,769 INFO [main.py:643]
{rank 0/100} MD step = 428100 step time: 00:00:00.018012 Performance: 506.916 ns/day 0.047 hours/ns 29.335 steps/s 2023-02-20 05:30:22,115 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 60.539 -33440 6635.2 -40075 -40075 13.605 7.7326 -0.4286 7.3365e+05 2023-02-20 05:30:23,918 INFO [main.py:643]
{rank 0/100} MD step = 428200 step time: 00:00:00.018099 Performance: 506.925 ns/day 0.047 hours/ns 29.336 steps/s 2023-02-20 05:30:25,258 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 59.858 -33549 6560.5 -40110 -40110 13.609 7.7343 -0.42968 7.338e+05 2023-02-20 05:30:27,133 INFO [main.py:643]
{rank 0/100} MD step = 428300 step time: 00:00:00.017972 Performance: 506.931 ns/day 0.047 hours/ns 29.336 steps/s 2023-02-20 05:30:27,969 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 428300 85660 58.519 -33824 6413.8 -40238 -40238 13.612 7.7342 -0.42856 7.3398e+05 2023-02-20 05:30:30,299 INFO [main.py:643]
{rank 0/100} MD step = 428400 step time: 00:00:00.017908 Performance: 506.940 ns/day 0.047 hours/ns 29.337 steps/s 2023-02-20 05:30:31,640 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 60.169 -33581 6594.6 -40176 -40176 13.617 7.7349 -0.43007 7.3415e+05 2023-02-20 05:30:33,464 INFO [main.py:643]
{rank 0/100} MD step = 428500 step time: 00:00:00.017926 Performance: 506.948 ns/day 0.047 hours/ns 29.337 steps/s 2023-02-20 05:30:34,923 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 60.523 -33489 6633.4 -40123 -40123 13.623 7.736 -0.42997 7.3431e+05 2023-02-20 05:30:36,826 INFO [main.py:643]
{rank 0/100} MD step = 428600 step time: 00:00:00.018102 Performance: 506.950 ns/day 0.047 hours/ns 29.337 steps/s 2023-02-20 05:30:38,149 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 428600 85720 59.852 -33465 6559.9 -40025 -40025 13.63 7.7367 -0.4297 7.345e+05 2023-02-20 05:30:39,976 INFO [main.py:643]
{rank 0/100} MD step = 428700 step time: 00:00:00.017999 Performance: 506.959 ns/day 0.047 hours/ns 29.338 steps/s 2023-02-20 05:30:41,169 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 60.037 -33756 6580.1 -40336 -40336 13.635 7.7375 -0.4279 7.3462e+05 2023-02-20 05:30:43,108 INFO [main.py:643]
{rank 0/100} MD step = 428800 step time: 00:00:00.017918 Performance: 506.968 ns/day 0.047 hours/ns 29.338 steps/s 2023-02-20 05:30:44,670 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 59.169 -33628 6485 -40113 -40113 13.639 7.7385 -0.42795 7.348e+05 2023-02-20 05:30:46,509 INFO [main.py:643]
{rank 0/100} MD step = 428900 step time: 00:00:00.018012 Performance: 506.969 ns/day 0.047 hours/ns 29.338 steps/s 2023-02-20 05:30:47,700 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 60.407 -33519 6620.7 -40139 -40139 13.642 7.7413 -0.42785 7.3497e+05 2023-02-20 05:30:49,594 INFO [main.py:643]
{rank 0/100} MD step = 429000 step time: 00:00:00.018237 Performance: 506.980 ns/day 0.047 hours/ns 29.339 steps/s 2023-02-20 05:30:50,901 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 60.276 -33453 6606.4 -40060 -40060 13.648 7.7442 -0.42722 7.3515e+05 2023-02-20 05:30:52,742 INFO [main.py:643]
{rank 0/100} MD step = 429100 step time: 00:00:00.018073 Performance: 506.989 ns/day 0.047 hours/ns 29.340 steps/s 2023-02-20 05:30:53,453 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 429100 85820 60.195 -33524 6597.4 -40121 -40121 13.65 7.7469 -0.42661 7.3531e+05 2023-02-20 05:30:55,823 INFO [main.py:643]
{rank 0/100} MD step = 429200 step time: 00:00:00.017922 Performance: 507.000 ns/day 0.047 hours/ns 29.340 steps/s 2023-02-20 05:30:57,184 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 59.465 -33494 6517.4 -40012 -40012 13.654 7.7485 -0.42894 7.3548e+05 2023-02-20 05:30:59,038 INFO [main.py:643]
{rank 0/100} MD step = 429300 step time: 00:00:00.018469 Performance: 507.007 ns/day 0.047 hours/ns 29.341 steps/s 2023-02-20 05:31:00,289 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 59.819 -33612 6556.2 -40168 -40168 13.658 7.7512 -0.43035 7.3565e+05 2023-02-20 05:31:02,179 INFO [main.py:643]
{rank 0/100} MD step = 429400 step time: 00:00:00.017985 Performance: 507.016 ns/day 0.047 hours/ns 29.341 steps/s 2023-02-20 05:31:03,431 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 59.961 -33548 6571.8 -40120 -40120 13.664 7.7531 -0.42867 7.3583e+05 2023-02-20 05:31:05,328 INFO [main.py:643]
{rank 0/100} MD step = 429500 step time: 00:00:00.017960 Performance: 507.025 ns/day 0.047 hours/ns 29.342 steps/s 2023-02-20 05:31:06,518 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 429500 85900 60.135 -33454 6590.9 -40045 -40045 13.669 7.7532 -0.42803 7.3603e+05 2023-02-20 05:31:08,475 INFO [main.py:643]
{rank 0/100} MD step = 429600 step time: 00:00:00.018103 Performance: 507.034 ns/day 0.047 hours/ns 29.342 steps/s 2023-02-20 05:31:09,801 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 58.669 -33704 6430.2 -40134 -40134 13.676 7.7553 -0.4281 7.3622e+05 2023-02-20 05:31:11,638 INFO [main.py:643]
{rank 0/100} MD step = 429700 step time: 00:00:00.017986 Performance: 507.043 ns/day 0.047 hours/ns 29.343 steps/s 2023-02-20 05:31:12,858 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 60.637 -33578 6645.9 -40224 -40224 13.68 7.7576 -0.42964 7.3637e+05 2023-02-20 05:31:15,222 INFO [main.py:643]
{rank 0/100} MD step = 429800 step time: 00:00:00.017994 Performance: 507.037 ns/day 0.047 hours/ns 29.342 steps/s 2023-02-20 05:31:16,300 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 59.546 -33543 6526.3 -40069 -40069 13.685 7.7578 -0.42861 7.3656e+05 2023-02-20 05:31:18,420 INFO [main.py:643]
{rank 0/100} MD step = 429900 step time: 00:00:00.017993 Performance: 507.044 ns/day 0.047 hours/ns 29.343 steps/s 2023-02-20 05:31:19,626 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 60.514 -33500 6632.4 -40133 -40133 13.69 7.7586 -0.42848 7.3672e+05 2023-02-20 05:31:21,527 INFO [main.py:643]
{rank 0/100} MD step = 430000 step time: 00:00:00.018302 Performance: 507.054 ns/day 0.047 hours/ns 29.343 steps/s 2023-02-20 05:31:22,903 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 60.161 -33519 6593.7 -40113 -40113 13.693 7.7587 -0.4282 7.3688e+05 2023-02-20 05:31:24,990 INFO [main.py:643]
{rank 0/100} MD step = 430100 step time: 00:00:00.018250 Performance: 507.052 ns/day 0.047 hours/ns 29.343 steps/s 2023-02-20 05:31:26,236 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 60.934 -33488 6678.5 -40167 -40167 13.699 7.758 -0.42826 7.3706e+05 2023-02-20 05:31:28,162 INFO [main.py:643]
{rank 0/100} MD step = 430200 step time: 00:00:00.018316 Performance: 507.060 ns/day 0.047 hours/ns 29.344 steps/s 2023-02-20 05:31:29,509 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 59.34 -33557 6503.7 -40060 -40060 13.707 7.7592 -0.42791 7.3726e+05 2023-02-20 05:31:31,326 INFO [main.py:643]
{rank 0/100} MD step = 430300 step time: 00:00:00.018400 Performance: 507.069 ns/day 0.047 hours/ns 29.344 steps/s 2023-02-20 05:31:32,635 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 59.634 -33716 6536 -40251 -40251 13.712 7.7625 -0.42733 7.3741e+05 2023-02-20 05:31:34,469 INFO [main.py:643]
{rank 0/100} MD step = 430400 step time: 00:00:00.018054 Performance: 507.078 ns/day 0.047 hours/ns 29.345 steps/s 2023-02-20 05:31:35,700 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 430400 86080 61.085 -33497 6695 -40192 -40192 13.718 7.7632 -0.42929 7.3759e+05 2023-02-20 05:31:37,640 INFO [main.py:643]
{rank 0/100} MD step = 430500 step time: 00:00:00.018119 Performance: 507.086 ns/day 0.047 hours/ns 29.345 steps/s 2023-02-20 05:31:38,725 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 60.244 -33408 6602.8 -40011 -40011 13.721 7.7655 -0.42962 7.3777e+05 2023-02-20 05:31:40,798 INFO [main.py:643]
{rank 0/100} MD step = 430600 step time: 00:00:00.018179 Performance: 507.095 ns/day 0.047 hours/ns 29.346 steps/s 2023-02-20 05:31:42,119 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 59.937 -33614 6569.2 -40183 -40183 13.726 7.768 -0.42999 7.3792e+05 2023-02-20 05:31:43,956 INFO [main.py:643]
{rank 0/100} MD step = 430700 step time: 00:00:00.018065 Performance: 507.104 ns/day 0.047 hours/ns 29.346 steps/s 2023-02-20 05:31:44,866 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 60.076 -33445 6584.3 -40029 -40029 13.729 7.7685 -0.42955 7.3812e+05 2023-02-20 05:31:47,222 INFO [main.py:643]
{rank 0/100} MD step = 430800 step time: 00:00:00.018128 Performance: 507.108 ns/day 0.047 hours/ns 29.347 steps/s 2023-02-20 05:31:48,772 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 430800 86160 60.107 -33415 6587.8 -40003 -40003 13.732 7.7703 -0.42814 7.3832e+05 2023-02-20 05:31:50,600 INFO [main.py:643]
{rank 0/100} MD step = 430900 step time: 00:00:00.026688 Performance: 507.109 ns/day 0.047 hours/ns 29.347 steps/s 2023-02-20 05:31:51,787 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 59.172 -33645 6485.3 -40131 -40131 13.736 7.7698 -0.42999 7.3846e+05 2023-02-20 05:31:53,767 INFO [main.py:643]
{rank 0/100} MD step = 431000 step time: 00:00:00.018234 Performance: 507.118 ns/day 0.047 hours/ns 29.347 steps/s 2023-02-20 05:31:54,995 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 59.939 -33600 6569.4 -40169 -40169 13.742 7.771 -0.42886 7.386e+05 2023-02-20 05:31:56,904 INFO [main.py:643]
{rank 0/100} MD step = 431100 step time: 00:00:00.017980 Performance: 507.127 ns/day 0.047 hours/ns 29.348 steps/s 2023-02-20 05:31:58,142 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 431100 86220 60.219 -33550 6600.1 -40150 -40150 13.747 7.7719 -0.42741 7.3874e+05 2023-02-20 05:32:00,171 INFO [main.py:643]
{rank 0/100} MD step = 431200 step time: 00:00:00.017959 Performance: 507.132 ns/day 0.047 hours/ns 29.348 steps/s 2023-02-20 05:32:01,370 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 431200 86240 60.351 -33454 6614.5 -40068 -40068 13.751 7.7744 -0.42833 7.3892e+05 2023-02-20 05:32:03,326 INFO [main.py:643]
{rank 0/100} MD step = 431300 step time: 00:00:00.018151 Performance: 507.141 ns/day 0.047 hours/ns 29.348 steps/s 2023-02-20 05:32:04,531 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 60.294 -33548 6608.3 -40156 -40156 13.754 7.776 -0.42951 7.3912e+05 2023-02-20 05:32:06,474 INFO [main.py:643]
{rank 0/100} MD step = 431400 step time: 00:00:00.018422 Performance: 507.150 ns/day 0.047 hours/ns 29.349 steps/s 2023-02-20 05:32:07,767 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 59.846 -33564 6559.2 -40123 -40123 13.757 7.7789 -0.42921 7.3929e+05 2023-02-20 05:32:09,679 INFO [main.py:643]
{rank 0/100} MD step = 431500 step time: 00:00:00.018174 Performance: 507.157 ns/day 0.047 hours/ns 29.349 steps/s 2023-02-20 05:32:11,256 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 60.353 -33612 6614.7 -40227 -40227 13.762 7.7814 -0.42781 7.3946e+05 2023-02-20 05:32:13,101 INFO [main.py:643]
{rank 0/100} MD step = 431600 step time: 00:00:00.018203 Performance: 507.156 ns/day 0.047 hours/ns 29.349 steps/s 2023-02-20 05:32:14,452 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 59.424 -33589 6512.9 -40102 -40102 13.767 7.783 -0.42975 7.3965e+05 2023-02-20 05:32:16,324 INFO [main.py:643]
{rank 0/100} MD step = 431700 step time: 00:00:00.018155 Performance: 507.162 ns/day 0.047 hours/ns 29.350 steps/s 2023-02-20 05:32:17,691 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 60.409 -33474 6621 -40095 -40095 13.771 7.7837 -0.43031 7.3983e+05 2023-02-20 05:32:19,501 INFO [main.py:643]
{rank 0/100} MD step = 431800 step time: 00:00:00.018007 Performance: 507.170 ns/day 0.047 hours/ns 29.350 steps/s 2023-02-20 05:32:20,811 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 59.825 -33770 6556.8 -40326 -40326 13.777 7.7852 -0.42915 7.3999e+05 2023-02-20 05:32:22,640 INFO [main.py:643]
{rank 0/100} MD step = 431900 step time: 00:00:00.018077 Performance: 507.180 ns/day 0.047 hours/ns 29.351 steps/s 2023-02-20 05:32:24,603 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 60.018 -33457 6578 -40035 -40035 13.781 7.7865 -0.42953 7.4022e+05 2023-02-20 05:32:26,448 INFO [main.py:643]
{rank 0/100} MD step = 432000 step time: 00:00:00.018075 Performance: 507.166 ns/day 0.047 hours/ns 29.350 steps/s 2023-02-20 05:32:27,784 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 60.264 -33403 6605 -40008 -40008 13.785 7.7882 -0.42936 7.4039e+05 2023-02-20 05:32:29,721 INFO [main.py:643]
{rank 0/100} MD step = 432100 step time: 00:00:00.018023 Performance: 507.170 ns/day 0.047 hours/ns 29.350 steps/s 2023-02-20 05:32:31,130 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 59.745 -33499 6548.1 -40047 -40047 13.789 7.7886 -0.43054 7.4054e+05 2023-02-20 05:32:32,994 INFO [main.py:643]
{rank 0/100} MD step = 432200 step time: 00:00:00.018043 Performance: 507.175 ns/day 0.047 hours/ns 29.350 steps/s 2023-02-20 05:32:34,171 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 59.06 -33594 6473 -40067 -40067 13.796 7.7923 -0.42827 7.4076e+05 2023-02-20 05:32:36,142 INFO [main.py:643]
{rank 0/100} MD step = 432300 step time: 00:00:00.017995 Performance: 507.184 ns/day 0.047 hours/ns 29.351 steps/s 2023-02-20 05:32:37,282 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 60.08 -33665 6584.9 -40250 -40250 13.8 7.7943 -0.42846 7.409e+05 2023-02-20 05:32:39,323 INFO [main.py:643]
{rank 0/100} MD step = 432400 step time: 00:00:00.017916 Performance: 507.192 ns/day 0.047 hours/ns 29.351 steps/s 2023-02-20 05:32:40,686 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 60.572 -33448 6638.8 -40086 -40086 13.805 7.7956 -0.42919 7.4111e+05 2023-02-20 05:32:42,500 INFO [main.py:643]
{rank 0/100} MD step = 432500 step time: 00:00:00.017853 Performance: 507.200 ns/day 0.047 hours/ns 29.352 steps/s 2023-02-20 05:32:43,961 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 60.175 -33506 6595.3 -40102 -40102 13.81 7.7957 -0.42951 7.413e+05 2023-02-20 05:32:45,923 INFO [main.py:643]
{rank 0/100} MD step = 432600 step time: 00:00:00.018482 Performance: 507.199 ns/day 0.047 hours/ns 29.352 steps/s 2023-02-20 05:32:47,172 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 59.502 -33520 6521.5 -40042 -40042 13.815 7.7974 -0.42901 7.4145e+05 2023-02-20 05:32:49,055 INFO [main.py:643]
{rank 0/100} MD step = 432700 step time: 00:00:00.018040 Performance: 507.209 ns/day 0.047 hours/ns 29.352 steps/s 2023-02-20 05:32:50,998 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 432700 86540 59.854 -33488 6560.1 -40048 -40048 13.82 7.8005 -0.42745 7.4161e+05 2023-02-20 05:32:52,932 INFO [main.py:643]
{rank 0/100} MD step = 432800 step time: 00:00:00.017958 Performance: 507.192 ns/day 0.047 hours/ns 29.351 steps/s 2023-02-20 05:32:54,268 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 59.729 -33487 6546.4 -40033 -40033 13.822 7.8024 -0.42791 7.4178e+05 2023-02-20 05:32:56,174 INFO [main.py:643]
{rank 0/100} MD step = 432900 step time: 00:00:00.018071 Performance: 507.198 ns/day 0.047 hours/ns 29.352 steps/s 2023-02-20 05:32:57,048 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 59.987 -33474 6574.7 -40049 -40049 13.826 7.8039 -0.42877 7.4194e+05 2023-02-20 05:32:59,517 INFO [main.py:643]
{rank 0/100} MD step = 433000 step time: 00:00:00.018106 Performance: 507.200 ns/day 0.047 hours/ns 29.352 steps/s 2023-02-20 05:33:00,847 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 60.14 -33532 6591.4 -40123 -40123 13.829 7.8039 -0.42768 7.4208e+05 2023-02-20 05:33:02,672 INFO [main.py:643]
{rank 0/100} MD step = 433100 step time: 00:00:00.017964 Performance: 507.209 ns/day 0.047 hours/ns 29.352 steps/s 2023-02-20 05:33:03,585 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 59.415 -33618 6512 -40130 -40130 13.832 7.8054 -0.4285 7.4225e+05 2023-02-20 05:33:05,958 INFO [main.py:643]
{rank 0/100} MD step = 433200 step time: 00:00:00.017978 Performance: 507.213 ns/day 0.047 hours/ns 29.353 steps/s 2023-02-20 05:33:07,258 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 60.591 -33517 6640.8 -40158 -40158 13.839 7.8073 -0.42972 7.424e+05 2023-02-20 05:33:09,138 INFO [main.py:643]
{rank 0/100} MD step = 433300 step time: 00:00:00.017985 Performance: 507.221 ns/day 0.047 hours/ns 29.353 steps/s 2023-02-20 05:33:10,383 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 59.199 -33742 6488.3 -40230 -40230 13.843 7.8082 -0.4275 7.4257e+05 2023-02-20 05:33:12,292 INFO [main.py:643]
{rank 0/100} MD step = 433400 step time: 00:00:00.017848 Performance: 507.230 ns/day 0.047 hours/ns 29.354 steps/s 2023-02-20 05:33:13,706 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 60.402 -33485 6620.1 -40105 -40105 13.85 7.8102 -0.4279 7.4276e+05 2023-02-20 05:33:15,610 INFO [main.py:643]
{rank 0/100} MD step = 433500 step time: 00:00:00.018273 Performance: 507.233 ns/day 0.047 hours/ns 29.354 steps/s 2023-02-20 05:33:17,379 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 60.279 -33473 6606.7 -40080 -40080 13.857 7.8109 -0.42818 7.4294e+05 2023-02-20 05:33:19,339 INFO [main.py:643]
{rank 0/100} MD step = 433600 step time: 00:00:00.018057 Performance: 507.222 ns/day 0.047 hours/ns 29.353 steps/s 2023-02-20 05:33:20,583 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 59.222 -33581 6490.8 -40072 -40072 13.864 7.8135 -0.43041 7.4313e+05 2023-02-20 05:33:22,452 INFO [main.py:643]
{rank 0/100} MD step = 433700 step time: 00:00:00.018140 Performance: 507.232 ns/day 0.047 hours/ns 29.354 steps/s 2023-02-20 05:33:23,729 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 60.046 -33475 6581.1 -40056 -40056 13.867 7.8142 -0.43006 7.4327e+05 2023-02-20 05:33:25,626 INFO [main.py:643]
{rank 0/100} MD step = 433800 step time: 00:00:00.018067 Performance: 507.240 ns/day 0.047 hours/ns 29.354 steps/s 2023-02-20 05:33:26,421 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 59.721 -33651 6545.5 -40197 -40197 13.872 7.8166 -0.4298 7.434e+05 2023-02-20 05:33:28,770 INFO [main.py:643]
{rank 0/100} MD step = 433900 step time: 00:00:00.018092 Performance: 507.249 ns/day 0.047 hours/ns 29.355 steps/s 2023-02-20 05:33:30,135 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 59.942 -33657 6569.7 -40226 -40226 13.877 7.8191 -0.43015 7.4359e+05 2023-02-20 05:33:32,041 INFO [main.py:643]
{rank 0/100} MD step = 434000 step time: 00:00:00.018444 Performance: 507.253 ns/day 0.047 hours/ns 29.355 steps/s 2023-02-20 05:33:33,349 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 434000 86800 60.866 -33442 6671 -40113 -40113 13.884 7.8204 -0.4302 7.4375e+05 2023-02-20 05:33:35,155 INFO [main.py:643]
{rank 0/100} MD step = 434100 step time: 00:00:00.018366 Performance: 507.263 ns/day 0.047 hours/ns 29.356 steps/s 2023-02-20 05:33:36,417 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 434100 86820 60.026 -33446 6578.9 -40025 -40025 13.891 7.8212 -0.43119 7.4391e+05 2023-02-20 05:33:38,742 INFO [main.py:643]
{rank 0/100} MD step = 434200 step time: 00:00:00.018099 Performance: 507.257 ns/day 0.047 hours/ns 29.355 steps/s 2023-02-20 05:33:39,999 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 60 -33557 6576.1 -40133 -40133 13.896 7.8229 -0.43174 7.441e+05 2023-02-20 05:33:41,901 INFO [main.py:643]
{rank 0/100} MD step = 434300 step time: 00:00:00.018422 Performance: 507.266 ns/day 0.047 hours/ns 29.356 steps/s 2023-02-20 05:33:43,125 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 60.573 -33512 6638.9 -40151 -40151 13.9 7.8253 -0.43044 7.4425e+05 2023-02-20 05:33:45,043 INFO [main.py:643]
{rank 0/100} MD step = 434400 step time: 00:00:00.017964 Performance: 507.275 ns/day 0.047 hours/ns 29.356 steps/s 2023-02-20 05:33:46,527 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 434400 86880 59.562 -33563 6528 -40091 -40091 13.908 7.8277 -0.4302 7.4441e+05 2023-02-20 05:33:48,610 INFO [main.py:643]
{rank 0/100} MD step = 434500 step time: 00:00:00.018119 Performance: 507.269 ns/day 0.047 hours/ns 29.356 steps/s 2023-02-20 05:33:49,860 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 59.486 -33725 6519.7 -40244 -40244 13.913 7.8303 -0.4282 7.4455e+05 2023-02-20 05:33:51,813 INFO [main.py:643]
{rank 0/100} MD step = 434600 step time: 00:00:00.018126 Performance: 507.276 ns/day 0.047 hours/ns 29.356 steps/s 2023-02-20 05:33:53,204 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 59.782 -33506 6552.2 -40058 -40058 13.917 7.8328 -0.42826 7.4474e+05 2023-02-20 05:33:55,063 INFO [main.py:643]
{rank 0/100} MD step = 434700 step time: 00:00:00.018059 Performance: 507.281 ns/day 0.047 hours/ns 29.357 steps/s 2023-02-20 05:33:56,449 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 60.38 -33500 6617.7 -40118 -40118 13.919 7.8342 -0.42787 7.4491e+05 2023-02-20 05:33:58,371 INFO [main.py:643]
{rank 0/100} MD step = 434800 step time: 00:00:00.017959 Performance: 507.285 ns/day 0.047 hours/ns 29.357 steps/s 2023-02-20 05:33:59,683 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 434800 86960 59.492 -33718 6520.4 -40239 -40239 13.925 7.8364 -0.42703 7.4506e+05 2023-02-20 05:34:01,593 INFO [main.py:643]
{rank 0/100} MD step = 434900 step time: 00:00:00.018532 Performance: 507.291 ns/day 0.047 hours/ns 29.357 steps/s 2023-02-20 05:34:02,842 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 59.24 -33581 6492.8 -40074 -40074 13.93 7.8378 -0.42751 7.4528e+05 2023-02-20 05:34:04,742 INFO [main.py:643]
{rank 0/100} MD step = 435000 step time: 00:00:00.018010 Performance: 507.300 ns/day 0.047 hours/ns 29.358 steps/s 2023-02-20 05:34:06,121 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 60.703 -33361 6653.1 -40014 -40014 13.937 7.8383 -0.42679 7.4547e+05 2023-02-20 05:34:07,993 INFO [main.py:643]
{rank 0/100} MD step = 435100 step time: 00:00:00.018004 Performance: 507.305 ns/day 0.047 hours/ns 29.358 steps/s 2023-02-20 05:34:09,709 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 435100 87020 60.26 -33490 6604.6 -40095 -40095 13.941 7.8376 -0.42753 7.4562e+05 2023-02-20 05:34:11,552 INFO [main.py:643]
{rank 0/100} MD step = 435200 step time: 00:00:00.017986 Performance: 507.300 ns/day 0.047 hours/ns 29.358 steps/s 2023-02-20 05:34:12,879 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 60.479 -33613 6628.6 -40242 -40242 13.945 7.8378 -0.42694 7.4577e+05 2023-02-20 05:34:14,753 INFO [main.py:643]
{rank 0/100} MD step = 435300 step time: 00:00:00.017987 Performance: 507.307 ns/day 0.047 hours/ns 29.358 steps/s 2023-02-20 05:34:16,078 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 60.076 -33568 6584.4 -40153 -40153 13.95 7.8383 -0.42759 7.4594e+05 2023-02-20 05:34:17,885 INFO [main.py:643]
{rank 0/100} MD step = 435400 step time: 00:00:00.018076 Performance: 507.316 ns/day 0.047 hours/ns 29.359 steps/s 2023-02-20 05:34:19,266 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 59.834 -33566 6557.9 -40124 -40124 13.953 7.8382 -0.42774 7.4609e+05 2023-02-20 05:34:21,190 INFO [main.py:643]
{rank 0/100} MD step = 435500 step time: 00:00:00.018265 Performance: 507.320 ns/day 0.047 hours/ns 29.359 steps/s 2023-02-20 05:34:22,576 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 60.215 -33601 6599.6 -40201 -40201 13.958 7.8389 -0.42898 7.4627e+05 2023-02-20 05:34:24,459 INFO [main.py:643]
{rank 0/100} MD step = 435600 step time: 00:00:00.018197 Performance: 507.325 ns/day 0.047 hours/ns 29.359 steps/s 2023-02-20 05:34:25,778 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 59.541 -33585 6525.8 -40111 -40111 13.962 7.8392 -0.43015 7.4647e+05 2023-02-20 05:34:27,650 INFO [main.py:643]
{rank 0/100} MD step = 435700 step time: 00:00:00.018015 Performance: 507.332 ns/day 0.047 hours/ns 29.359 steps/s 2023-02-20 05:34:28,974 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 58.899 -33632 6455.4 -40088 -40088 13.965 7.8412 -0.43016 7.4662e+05 2023-02-20 05:34:30,787 INFO [main.py:643]
{rank 0/100} MD step = 435800 step time: 00:00:00.018062 Performance: 507.341 ns/day 0.047 hours/ns 29.360 steps/s 2023-02-20 05:34:31,980 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 60.002 -33755 6576.3 -40331 -40331 13.97 7.8414 -0.43032 7.4672e+05 2023-02-20 05:34:34,009 INFO [main.py:643]
{rank 0/100} MD step = 435900 step time: 00:00:00.018262 Performance: 507.347 ns/day 0.047 hours/ns 29.360 steps/s 2023-02-20 05:34:35,305 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 60.15 -33408 6592.5 -40000 -40000 13.975 7.8421 -0.42991 7.4693e+05 2023-02-20 05:34:37,164 INFO [main.py:643]
{rank 0/100} MD step = 436000 step time: 00:00:00.017980 Performance: 507.356 ns/day 0.047 hours/ns 29.361 steps/s 2023-02-20 05:34:38,525 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 60.165 -33445 6594.2 -40039 -40039 13.977 7.8458 -0.4294 7.4709e+05 2023-02-20 05:34:40,394 INFO [main.py:643]
{rank 0/100} MD step = 436100 step time: 00:00:00.018103 Performance: 507.362 ns/day 0.047 hours/ns 29.361 steps/s 2023-02-20 05:34:41,687 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 61.061 -33481 6692.4 -40174 -40174 13.979 7.8456 -0.42945 7.4722e+05 2023-02-20 05:34:43,569 INFO [main.py:643]
{rank 0/100} MD step = 436200 step time: 00:00:00.018853 Performance: 507.370 ns/day 0.047 hours/ns 29.362 steps/s 2023-02-20 05:34:44,741 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 59.531 -33597 6524.6 -40122 -40122 13.982 7.8464 -0.43119 7.474e+05 2023-02-20 05:34:46,633 INFO [main.py:643]
{rank 0/100} MD step = 436300 step time: 00:00:00.017978 Performance: 507.382 ns/day 0.047 hours/ns 29.362 steps/s 2023-02-20 05:34:47,829 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 59.882 -33451 6563.2 -40014 -40014 13.985 7.8485 -0.42999 7.4758e+05 2023-02-20 05:34:49,733 INFO [main.py:643]
{rank 0/100} MD step = 436400 step time: 00:00:00.017908 Performance: 507.392 ns/day 0.047 hours/ns 29.363 steps/s 2023-02-20 05:34:51,047 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 60.412 -33473 6621.2 -40095 -40095 13.989 7.849 -0.42932 7.4773e+05 2023-02-20 05:34:52,903 INFO [main.py:643]
{rank 0/100} MD step = 436500 step time: 00:00:00.018032 Performance: 507.400 ns/day 0.047 hours/ns 29.363 steps/s 2023-02-20 05:34:54,187 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 59.802 -33580 6554.4 -40135 -40135 13.993 7.8508 -0.42938 7.4793e+05 2023-02-20 05:34:56,060 INFO [main.py:643]
{rank 0/100} MD step = 436600 step time: 00:00:00.017858 Performance: 507.409 ns/day 0.047 hours/ns 29.364 steps/s 2023-02-20 05:34:57,334 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 436600 87320 59.38 -33697 6508.1 -40205 -40205 13.998 7.8542 -0.42943 7.4805e+05 2023-02-20 05:34:59,182 INFO [main.py:643]
{rank 0/100} MD step = 436700 step time: 00:00:00.018205 Performance: 507.418 ns/day 0.047 hours/ns 29.364 steps/s 2023-02-20 05:35:00,485 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 60.159 -33466 6593.5 -40059 -40059 14.002 7.857 -0.42928 7.4827e+05 2023-02-20 05:35:02,359 INFO [main.py:643]
{rank 0/100} MD step = 436800 step time: 00:00:00.018088 Performance: 507.426 ns/day 0.047 hours/ns 29.365 steps/s 2023-02-20 05:35:03,727 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 436800 87360 60.355 -33397 6614.9 -40012 -40012 14.007 7.8603 -0.43032 7.4843e+05 2023-02-20 05:35:05,536 INFO [main.py:643]
{rank 0/100} MD step = 436900 step time: 00:00:00.017991 Performance: 507.434 ns/day 0.047 hours/ns 29.365 steps/s 2023-02-20 05:35:06,814 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 436900 87380 59.957 -33674 6571.4 -40246 -40246 14.012 7.8604 -0.43021 7.4857e+05 2023-02-20 05:35:08,723 INFO [main.py:643]
{rank 0/100} MD step = 437000 step time: 00:00:00.018143 Performance: 507.441 ns/day 0.047 hours/ns 29.366 steps/s 2023-02-20 05:35:09,843 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 437000 87400 59.673 -33559 6540.3 -40100 -40100 14.017 7.8629 -0.43161 7.488e+05 2023-02-20 05:35:11,860 INFO [main.py:643]
{rank 0/100} MD step = 437100 step time: 00:00:00.018011 Performance: 507.450 ns/day 0.047 hours/ns 29.366 steps/s 2023-02-20 05:35:13,181 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 59.26 -33604 6495 -40099 -40099 14.022 7.8629 -0.43082 7.4896e+05 2023-02-20 05:35:14,995 INFO [main.py:643]
{rank 0/100} MD step = 437200 step time: 00:00:00.018043 Performance: 507.460 ns/day 0.047 hours/ns 29.367 steps/s 2023-02-20 05:35:18,607 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 59.361 -33667 6506 -40173 -40173 14.022 7.8648 -0.42993 7.4913e+05 2023-02-20 05:35:22,768 INFO [main.py:643]
{rank 0/100} MD step = 437300 step time: 00:00:00.018080 Performance: 507.311 ns/day 0.047 hours/ns 29.358 steps/s 2023-02-20 05:35:25,592 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 60.319 -33423 6611 -40034 -40034 14.028 7.8697 -0.43057 7.4931e+05 2023-02-20 05:35:27,557 INFO [main.py:643]
{rank 0/100} MD step = 437400 step time: 00:00:00.018078 Performance: 507.264 ns/day 0.047 hours/ns 29.356 steps/s 2023-02-20 05:35:31,704 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 60.886 -33513 6673.1 -40186 -40186 14.031 7.8736 -0.43121 7.4944e+05 2023-02-20 05:35:33,556 INFO [main.py:643]
{rank 0/100} MD step = 437500 step time: 00:00:00.017979 Performance: 507.175 ns/day 0.047 hours/ns 29.350 steps/s 2023-02-20 05:35:34,913 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 437500 87500 60.038 -33389 6580.2 -39969 -39969 14.037 7.8746 -0.4311 7.4965e+05 2023-02-20 05:35:36,762 INFO [main.py:643]
{rank 0/100} MD step = 437600 step time: 00:00:00.018025 Performance: 507.182 ns/day 0.047 hours/ns 29.351 steps/s 2023-02-20 05:35:38,082 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 58.819 -33762 6446.6 -40208 -40208 14.038 7.8747 -0.43121 7.4978e+05 2023-02-20 05:35:39,922 INFO [main.py:643]
{rank 0/100} MD step = 437700 step time: 00:00:00.018090 Performance: 507.191 ns/day 0.047 hours/ns 29.351 steps/s 2023-02-20 05:35:41,181 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 437700 87540 59.872 -33518 6562.1 -40080 -40080 14.041 7.876 -0.43103 7.4998e+05 2023-02-20 05:35:43,081 INFO [main.py:643]
{rank 0/100} MD step = 437800 step time: 00:00:00.018096 Performance: 507.199 ns/day 0.047 hours/ns 29.352 steps/s 2023-02-20 05:35:44,433 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 437800 87560 60.789 -33507 6662.5 -40170 -40170 14.045 7.8772 -0.43264 7.5015e+05 2023-02-20 05:35:46,402 INFO [main.py:643]
{rank 0/100} MD step = 437900 step time: 00:00:00.018101 Performance: 507.202 ns/day 0.047 hours/ns 29.352 steps/s 2023-02-20 05:35:47,725 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 60.989 -33360 6684.4 -40045 -40045 14.048 7.8793 -0.43261 7.5033e+05 2023-02-20 05:35:49,621 INFO [main.py:643]
{rank 0/100} MD step = 438000 step time: 00:00:00.017939 Performance: 507.208 ns/day 0.047 hours/ns 29.352 steps/s 2023-02-20 05:35:50,960 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 59.738 -33681 6547.3 -40229 -40229 14.052 7.881 -0.43353 7.5049e+05 2023-02-20 05:35:52,814 INFO [main.py:643]
{rank 0/100} MD step = 438100 step time: 00:00:00.018313 Performance: 507.216 ns/day 0.047 hours/ns 29.353 steps/s 2023-02-20 05:35:54,063 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 58.909 -33593 6456.5 -40050 -40050 14.057 7.8826 -0.43366 7.5069e+05 2023-02-20 05:35:56,009 INFO [main.py:643]
{rank 0/100} MD step = 438200 step time: 00:00:00.018341 Performance: 507.223 ns/day 0.047 hours/ns 29.353 steps/s 2023-02-20 05:35:57,329 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 60.428 -33462 6623 -40085 -40085 14.061 7.8858 -0.43378 7.5086e+05 2023-02-20 05:35:59,218 INFO [main.py:643]
{rank 0/100} MD step = 438300 step time: 00:00:00.018073 Performance: 507.230 ns/day 0.047 hours/ns 29.354 steps/s 2023-02-20 05:35:59,998 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 60.651 -33711 6647.4 -40358 -40358 14.065 7.8874 -0.43477 7.5097e+05 2023-02-20 05:36:02,344 INFO [main.py:643]
{rank 0/100} MD step = 438400 step time: 00:00:00.018058 Performance: 507.239 ns/day 0.047 hours/ns 29.354 steps/s 2023-02-20 05:36:03,626 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 60.167 -33417 6594.3 -40011 -40011 14.068 7.8875 -0.4345 7.512e+05 2023-02-20 05:36:05,602 INFO [main.py:643]
{rank 0/100} MD step = 438500 step time: 00:00:00.018018 Performance: 507.244 ns/day 0.047 hours/ns 29.354 steps/s 2023-02-20 05:36:06,956 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 60.417 -33373 6621.8 -39995 -39995 14.071 7.8888 -0.43769 7.5136e+05 2023-02-20 05:36:08,790 INFO [main.py:643]
{rank 0/100} MD step = 438600 step time: 00:00:00.017916 Performance: 507.252 ns/day 0.047 hours/ns 29.355 steps/s 2023-02-20 05:36:09,974 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 60.061 -33500 6582.8 -40083 -40083 14.075 7.8909 -0.43705 7.5153e+05 2023-02-20 05:36:11,946 INFO [main.py:643]
{rank 0/100} MD step = 438700 step time: 00:00:00.018023 Performance: 507.260 ns/day 0.047 hours/ns 29.355 steps/s 2023-02-20 05:36:13,239 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 60.333 -33527 6612.6 -40139 -40139 14.078 7.892 -0.43672 7.5167e+05 2023-02-20 05:36:15,212 INFO [main.py:643]
{rank 0/100} MD step = 438800 step time: 00:00:00.018140 Performance: 507.265 ns/day 0.047 hours/ns 29.356 steps/s 2023-02-20 05:36:17,132 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 60.076 -33464 6584.4 -40048 -40048 14.08 7.8912 -0.43668 7.5187e+05 2023-02-20 05:36:19,238 INFO [main.py:643]
{rank 0/100} MD step = 438900 step time: 00:00:00.018043 Performance: 507.244 ns/day 0.047 hours/ns 29.354 steps/s 2023-02-20 05:36:20,526 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 60.212 -33615 6599.3 -40215 -40215 14.085 7.891 -0.43724 7.5203e+05 2023-02-20 05:36:22,389 INFO [main.py:643]
{rank 0/100} MD step = 439000 step time: 00:00:00.017972 Performance: 507.253 ns/day 0.047 hours/ns 29.355 steps/s 2023-02-20 05:36:23,721 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 59.1 -33617 6477.5 -40095 -40095 14.086 7.892 -0.43789 7.5221e+05 2023-02-20 05:36:25,550 INFO [main.py:643]
{rank 0/100} MD step = 439100 step time: 00:00:00.018306 Performance: 507.261 ns/day 0.047 hours/ns 29.355 steps/s 2023-02-20 05:36:26,822 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 439100 87820 59.633 -33476 6535.9 -40012 -40012 14.089 7.8927 -0.43601 7.5242e+05 2023-02-20 05:36:28,714 INFO [main.py:643]
{rank 0/100} MD step = 439200 step time: 00:00:00.018038 Performance: 507.269 ns/day 0.047 hours/ns 29.356 steps/s 2023-02-20 05:36:29,986 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 59.771 -33553 6550.9 -40104 -40104 14.091 7.8937 -0.43671 7.5256e+05 2023-02-20 05:36:31,852 INFO [main.py:643]
{rank 0/100} MD step = 439300 step time: 00:00:00.017940 Performance: 507.278 ns/day 0.047 hours/ns 29.356 steps/s 2023-02-20 05:36:33,092 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 59.909 -33544 6566 -40110 -40110 14.095 7.8968 -0.43656 7.5273e+05 2023-02-20 05:36:35,061 INFO [main.py:643]
{rank 0/100} MD step = 439400 step time: 00:00:00.018539 Performance: 507.285 ns/day 0.047 hours/ns 29.357 steps/s 2023-02-20 05:36:36,285 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 59.51 -33667 6522.4 -40189 -40189 14.099 7.8992 -0.43783 7.5289e+05 2023-02-20 05:36:38,222 INFO [main.py:643]
{rank 0/100} MD step = 439500 step time: 00:00:00.018072 Performance: 507.293 ns/day 0.047 hours/ns 29.357 steps/s 2023-02-20 05:36:39,486 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 58.719 -33660 6435.7 -40096 -40096 14.1 7.9019 -0.43797 7.5307e+05 2023-02-20 05:36:41,339 INFO [main.py:643]
{rank 0/100} MD step = 439600 step time: 00:00:00.018162 Performance: 507.303 ns/day 0.047 hours/ns 29.358 steps/s 2023-02-20 05:36:42,936 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 439600 87920 59.068 -33714 6473.9 -40188 -40188 14.105 7.9018 -0.43891 7.5321e+05 2023-02-20 05:36:44,832 INFO [main.py:643]
{rank 0/100} MD step = 439700 step time: 00:00:00.018081 Performance: 507.300 ns/day 0.047 hours/ns 29.358 steps/s 2023-02-20 05:36:48,800 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 60.55 -33541 6636.4 -40177 -40177 14.109 7.9026 -0.44098 7.5338e+05 2023-02-20 05:36:50,688 INFO [main.py:643]
{rank 0/100} MD step = 439800 step time: 00:00:00.018094 Performance: 507.217 ns/day 0.047 hours/ns 29.353 steps/s 2023-02-20 05:36:52,003 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 60.256 -33460 6604.1 -40064 -40064 14.114 7.9036 -0.43982 7.5356e+05 2023-02-20 05:36:53,921 INFO [main.py:643]
{rank 0/100} MD step = 439900 step time: 00:00:00.018027 Performance: 507.223 ns/day 0.047 hours/ns 29.353 steps/s 2023-02-20 05:36:55,177 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 60.575 -33353 6639.1 -39992 -39992 14.117 7.907 -0.43822 7.5377e+05 2023-02-20 05:36:57,108 INFO [main.py:643]
{rank 0/100} MD step = 440000 step time: 00:00:00.018183 Performance: 507.231 ns/day 0.047 hours/ns 29.354 steps/s 2023-02-20 05:36:58,859 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 59.767 -33698 6550.6 -40249 -40249 14.12 7.9082 -0.43783 7.5387e+05 2023-02-20 05:37:00,834 INFO [main.py:643]
{rank 0/100} MD step = 440100 step time: 00:00:00.018211 Performance: 507.220 ns/day 0.047 hours/ns 29.353 steps/s 2023-02-20 05:37:02,108 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 60.219 -33517 6600.1 -40117 -40117 14.123 7.9093 -0.43991 7.5405e+05 2023-02-20 05:37:04,055 INFO [main.py:643]
{rank 0/100} MD step = 440200 step time: 00:00:00.018126 Performance: 507.226 ns/day 0.047 hours/ns 29.353 steps/s 2023-02-20 05:37:08,084 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 60.109 -33506 6588 -40094 -40094 14.126 7.9093 -0.44019 7.5423e+05 2023-02-20 05:37:09,892 INFO [main.py:643]
{rank 0/100} MD step = 440300 step time: 00:00:00.018272 Performance: 507.144 ns/day 0.047 hours/ns 29.349 steps/s 2023-02-20 05:37:11,777 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 59.329 -33571 6502.5 -40073 -40073 14.132 7.9116 -0.43915 7.5443e+05 2023-02-20 05:37:13,707 INFO [main.py:643]
{rank 0/100} MD step = 440400 step time: 00:00:00.018106 Performance: 507.130 ns/day 0.047 hours/ns 29.348 steps/s 2023-02-20 05:37:15,162 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 60.717 -33398 6654.7 -40053 -40053 14.137 7.9138 -0.43665 7.5461e+05 2023-02-20 05:37:17,015 INFO [main.py:643]
{rank 0/100} MD step = 440500 step time: 00:00:00.018088 Performance: 507.133 ns/day 0.047 hours/ns 29.348 steps/s 2023-02-20 05:37:18,369 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 60.269 -33539 6605.6 -40144 -40144 14.138 7.9172 -0.43434 7.5476e+05 2023-02-20 05:37:20,237 INFO [main.py:643]
{rank 0/100} MD step = 440600 step time: 00:00:00.018420 Performance: 507.140 ns/day 0.047 hours/ns 29.348 steps/s 2023-02-20 05:37:22,638 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 59.605 -33529 6532.8 -40062 -40062 14.143 7.9186 -0.43356 7.5494e+05 2023-02-20 05:37:24,494 INFO [main.py:643]
{rank 0/100} MD step = 440700 step time: 00:00:00.018088 Performance: 507.111 ns/day 0.047 hours/ns 29.347 steps/s 2023-02-20 05:37:26,007 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 59.969 -33570 6572.7 -40143 -40143 14.147 7.9199 -0.43337 7.5509e+05 2023-02-20 05:37:27,821 INFO [main.py:643]
{rank 0/100} MD step = 440800 step time: 00:00:00.017858 Performance: 507.114 ns/day 0.047 hours/ns 29.347 steps/s 2023-02-20 05:37:29,122 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 440800 88160 59.92 -33653 6567.3 -40220 -40220 14.149 7.9203 -0.43119 7.5523e+05 2023-02-20 05:37:30,992 INFO [main.py:643]
{rank 0/100} MD step = 440900 step time: 00:00:00.017960 Performance: 507.122 ns/day 0.047 hours/ns 29.347 steps/s 2023-02-20 05:37:32,259 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 60.351 -33493 6614.5 -40107 -40107 14.151 7.9213 -0.42937 7.5542e+05 2023-02-20 05:37:34,144 INFO [main.py:643]
{rank 0/100} MD step = 441000 step time: 00:00:00.018137 Performance: 507.130 ns/day 0.047 hours/ns 29.348 steps/s 2023-02-20 05:37:35,427 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 59.968 -33600 6572.6 -40173 -40173 14.155 7.9232 -0.42921 7.5561e+05 2023-02-20 05:37:37,312 INFO [main.py:643]
{rank 0/100} MD step = 441100 step time: 00:00:00.018088 Performance: 507.138 ns/day 0.047 hours/ns 29.348 steps/s 2023-02-20 05:37:38,635 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 60.873 -33325 6671.7 -39997 -39997 14.157 7.9248 -0.43051 7.5578e+05 2023-02-20 05:37:40,437 INFO [main.py:643]
{rank 0/100} MD step = 441200 step time: 00:00:00.017954 Performance: 507.148 ns/day 0.047 hours/ns 29.349 steps/s 2023-02-20 05:37:41,648 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 60.776 -33571 6661.2 -40232 -40232 14.161 7.9261 -0.43145 7.5598e+05 2023-02-20 05:37:43,573 INFO [main.py:643]
{rank 0/100} MD step = 441300 step time: 00:00:00.018118 Performance: 507.157 ns/day 0.047 hours/ns 29.349 steps/s 2023-02-20 05:37:45,044 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 441300 88260 59.849 -33719 6559.5 -40278 -40278 14.165 7.9276 -0.43241 7.5612e+05 2023-02-20 05:37:46,930 INFO [main.py:643]
{rank 0/100} MD step = 441400 step time: 00:00:00.018224 Performance: 507.159 ns/day 0.047 hours/ns 29.349 steps/s 2023-02-20 05:37:48,227 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 60.602 -33459 6642.1 -40101 -40101 14.169 7.929 -0.43221 7.5632e+05 2023-02-20 05:37:50,149 INFO [main.py:643]
{rank 0/100} MD step = 441500 step time: 00:00:00.018132 Performance: 507.165 ns/day 0.047 hours/ns 29.350 steps/s 2023-02-20 05:37:51,864 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 59.592 -33605 6531.4 -40137 -40137 14.173 7.9298 -0.43333 7.5649e+05 2023-02-20 05:37:53,678 INFO [main.py:643]
{rank 0/100} MD step = 441600 step time: 00:00:00.017802 Performance: 507.161 ns/day 0.047 hours/ns 29.350 steps/s 2023-02-20 05:37:54,907 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 60.027 -33629 6579 -40208 -40208 14.177 7.9325 -0.43431 7.5663e+05 2023-02-20 05:37:56,805 INFO [main.py:643]
{rank 0/100} MD step = 441700 step time: 00:00:00.017993 Performance: 507.170 ns/day 0.047 hours/ns 29.350 steps/s 2023-02-20 05:37:58,072 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 60.65 -33426 6647.3 -40074 -40074 14.179 7.9323 -0.43364 7.5682e+05 2023-02-20 05:37:59,976 INFO [main.py:643]
{rank 0/100} MD step = 441800 step time: 00:00:00.017939 Performance: 507.178 ns/day 0.047 hours/ns 29.351 steps/s 2023-02-20 05:38:01,183 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 59.997 -33677 6575.7 -40252 -40252 14.183 7.9342 -0.43427 7.5699e+05 2023-02-20 05:38:03,087 INFO [main.py:643]
{rank 0/100} MD step = 441900 step time: 00:00:00.018184 Performance: 507.188 ns/day 0.047 hours/ns 29.351 steps/s 2023-02-20 05:38:04,314 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 60.891 -33391 6673.7 -40065 -40065 14.186 7.9349 -0.43321 7.5719e+05 2023-02-20 05:38:06,235 INFO [main.py:643]
{rank 0/100} MD step = 442000 step time: 00:00:00.018086 Performance: 507.197 ns/day 0.047 hours/ns 29.352 steps/s 2023-02-20 05:38:08,017 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 59.498 -33546 6521.1 -40068 -40068 14.19 7.9349 -0.43349 7.5736e+05 2023-02-20 05:38:09,886 INFO [main.py:643]
{rank 0/100} MD step = 442100 step time: 00:00:00.018217 Performance: 507.189 ns/day 0.047 hours/ns 29.351 steps/s 2023-02-20 05:38:11,806 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 60.977 -33398 6683.1 -40082 -40082 14.194 7.9366 -0.43183 7.5751e+05 2023-02-20 05:38:13,666 INFO [main.py:643]
{rank 0/100} MD step = 442200 step time: 00:00:00.018093 Performance: 507.176 ns/day 0.047 hours/ns 29.350 steps/s 2023-02-20 05:38:15,119 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 60.28 -33501 6606.8 -40107 -40107 14.198 7.9386 -0.43143 7.5771e+05 2023-02-20 05:38:16,991 INFO [main.py:643]
{rank 0/100} MD step = 442300 step time: 00:00:00.018175 Performance: 507.179 ns/day 0.047 hours/ns 29.351 steps/s 2023-02-20 05:38:18,806 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 60.901 -33587 6674.8 -40262 -40262 14.203 7.941 -0.43044 7.5786e+05 2023-02-20 05:38:20,770 INFO [main.py:643]
{rank 0/100} MD step = 442400 step time: 00:00:00.017980 Performance: 507.167 ns/day 0.047 hours/ns 29.350 steps/s 2023-02-20 05:38:21,992 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 442400 88480 60.196 -33521 6597.5 -40118 -40118 14.208 7.9413 -0.42953 7.5803e+05 2023-02-20 05:38:23,917 INFO [main.py:643]
{rank 0/100} MD step = 442500 step time: 00:00:00.018036 Performance: 507.175 ns/day 0.047 hours/ns 29.350 steps/s 2023-02-20 05:38:25,131 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 59.911 -33532 6566.3 -40098 -40098 14.212 7.9447 -0.42886 7.5819e+05 2023-02-20 05:38:27,057 INFO [main.py:643]
{rank 0/100} MD step = 442600 step time: 00:00:00.017886 Performance: 507.184 ns/day 0.047 hours/ns 29.351 steps/s 2023-02-20 05:38:28,762 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 60.439 -33461 6624.2 -40085 -40085 14.216 7.9455 -0.42935 7.5836e+05 2023-02-20 05:38:30,618 INFO [main.py:643]
{rank 0/100} MD step = 442700 step time: 00:00:00.018043 Performance: 507.179 ns/day 0.047 hours/ns 29.351 steps/s 2023-02-20 05:38:32,033 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 442700 88540 59.549 -33566 6526.7 -40093 -40093 14.219 7.948 -0.4309 7.5856e+05 2023-02-20 05:38:33,855 INFO [main.py:643]
{rank 0/100} MD step = 442800 step time: 00:00:00.018216 Performance: 507.185 ns/day 0.047 hours/ns 29.351 steps/s 2023-02-20 05:38:35,264 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 59.45 -33547 6515.7 -40062 -40062 14.223 7.948 -0.43011 7.5873e+05 2023-02-20 05:38:37,127 INFO [main.py:643]
{rank 0/100} MD step = 442900 step time: 00:00:00.018127 Performance: 507.189 ns/day 0.047 hours/ns 29.351 steps/s 2023-02-20 05:38:38,431 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 59.594 -33570 6531.6 -40102 -40102 14.228 7.949 -0.43233 7.5887e+05 2023-02-20 05:38:40,254 INFO [main.py:643]
{rank 0/100} MD step = 443000 step time: 00:00:00.018187 Performance: 507.199 ns/day 0.047 hours/ns 29.352 steps/s 2023-02-20 05:38:44,819 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 59.929 -33636 6568.2 -40204 -40204 14.232 7.9505 -0.43266 7.5902e+05 2023-02-20 05:38:46,762 INFO [main.py:643]
{rank 0/100} MD step = 443100 step time: 00:00:00.018157 Performance: 507.095 ns/day 0.047 hours/ns 29.346 steps/s 2023-02-20 05:38:48,102 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 60.538 -33482 6635 -40117 -40117 14.235 7.9515 -0.4328 7.5921e+05 2023-02-20 05:38:49,988 INFO [main.py:643]
{rank 0/100} MD step = 443200 step time: 00:00:00.018314 Performance: 507.101 ns/day 0.047 hours/ns 29.346 steps/s 2023-02-20 05:38:51,218 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 60.086 -33521 6585.5 -40107 -40107 14.239 7.9519 -0.43421 7.5938e+05 2023-02-20 05:38:53,198 INFO [main.py:643]
{rank 0/100} MD step = 443300 step time: 00:00:00.018034 Performance: 507.107 ns/day 0.047 hours/ns 29.346 steps/s 2023-02-20 05:38:54,396 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 60.082 -33544 6585.1 -40129 -40129 14.243 7.9538 -0.43404 7.5959e+05 2023-02-20 05:38:56,297 INFO [main.py:643]
{rank 0/100} MD step = 443400 step time: 00:00:00.017954 Performance: 507.118 ns/day 0.047 hours/ns 29.347 steps/s 2023-02-20 05:38:57,522 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 59.826 -33540 6557 -40097 -40097 14.246 7.9552 -0.43434 7.5974e+05 2023-02-20 05:38:59,473 INFO [main.py:643]
{rank 0/100} MD step = 443500 step time: 00:00:00.018044 Performance: 507.125 ns/day 0.047 hours/ns 29.348 steps/s 2023-02-20 05:39:00,769 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 59.899 -33431 6565 -39996 -39996 14.251 7.9571 -0.4342 7.5991e+05 2023-02-20 05:39:02,594 INFO [main.py:643]
{rank 0/100} MD step = 443600 step time: 00:00:00.018110 Performance: 507.135 ns/day 0.047 hours/ns 29.348 steps/s 2023-02-20 05:39:03,891 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 443600 88720 59.842 -33562 6558.8 -40120 -40120 14.253 7.958 -0.43502 7.6008e+05 2023-02-20 05:39:05,766 INFO [main.py:643]
{rank 0/100} MD step = 443700 step time: 00:00:00.018075 Performance: 507.143 ns/day 0.047 hours/ns 29.349 steps/s 2023-02-20 05:39:07,139 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 443700 88740 59.94 -33523 6569.5 -40093 -40093 14.257 7.9597 -0.43519 7.6025e+05 2023-02-20 05:39:08,983 INFO [main.py:643]
{rank 0/100} MD step = 443800 step time: 00:00:00.017948 Performance: 507.149 ns/day 0.047 hours/ns 29.349 steps/s 2023-02-20 05:39:10,371 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 60.07 -33475 6583.8 -40059 -40059 14.26 7.961 -0.43609 7.6042e+05 2023-02-20 05:39:12,232 INFO [main.py:643]
{rank 0/100} MD step = 443900 step time: 00:00:00.018141 Performance: 507.155 ns/day 0.047 hours/ns 29.349 steps/s 2023-02-20 05:39:13,510 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 59.996 -33633 6575.7 -40209 -40209 14.262 7.9626 -0.43591 7.6059e+05 2023-02-20 05:39:15,375 INFO [main.py:643]
{rank 0/100} MD step = 444000 step time: 00:00:00.017982 Performance: 507.164 ns/day 0.047 hours/ns 29.350 steps/s 2023-02-20 05:39:16,600 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 59.205 -33658 6488.9 -40147 -40147 14.266 7.9624 -0.43681 7.6077e+05 2023-02-20 05:39:18,570 INFO [main.py:643]
{rank 0/100} MD step = 444100 step time: 00:00:00.017921 Performance: 507.171 ns/day 0.047 hours/ns 29.350 steps/s 2023-02-20 05:39:20,093 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 59.254 -33677 6494.3 -40172 -40172 14.271 7.9644 -0.43677 7.609e+05 2023-02-20 05:39:21,912 INFO [main.py:643]
{rank 0/100} MD step = 444200 step time: 00:00:00.018029 Performance: 507.173 ns/day 0.047 hours/ns 29.350 steps/s 2023-02-20 05:39:23,165 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 60.647 -33469 6647 -40116 -40116 14.272 7.9668 -0.43502 7.6109e+05 2023-02-20 05:39:25,096 INFO [main.py:643]
{rank 0/100} MD step = 444300 step time: 00:00:00.017915 Performance: 507.180 ns/day 0.047 hours/ns 29.351 steps/s 2023-02-20 05:39:26,344 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 60.146 -33540 6592.1 -40132 -40132 14.274 7.9673 -0.43578 7.6124e+05 2023-02-20 05:39:28,235 INFO [main.py:643]
{rank 0/100} MD step = 444400 step time: 00:00:00.018047 Performance: 507.189 ns/day 0.047 hours/ns 29.351 steps/s 2023-02-20 05:39:29,566 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 444400 88880 59.595 -33685 6531.7 -40216 -40216 14.277 7.9669 -0.43555 7.6139e+05 2023-02-20 05:39:31,384 INFO [main.py:643]
{rank 0/100} MD step = 444500 step time: 00:00:00.018067 Performance: 507.198 ns/day 0.047 hours/ns 29.352 steps/s 2023-02-20 05:39:32,753 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 444500 88900 59.942 -33467 6569.7 -40036 -40036 14.277 7.9681 -0.43545 7.6159e+05 2023-02-20 05:39:34,600 INFO [main.py:643]
{rank 0/100} MD step = 444600 step time: 00:00:00.017984 Performance: 507.204 ns/day 0.047 hours/ns 29.352 steps/s 2023-02-20 05:39:36,125 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 59.254 -33597 6494.3 -40091 -40091 14.278 7.9702 -0.43648 7.6173e+05 2023-02-20 05:39:37,951 INFO [main.py:643]
{rank 0/100} MD step = 444700 step time: 00:00:00.020896 Performance: 507.206 ns/day 0.047 hours/ns 29.352 steps/s 2023-02-20 05:39:39,196 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 444700 88940 59.788 -33446 6552.9 -39999 -39999 14.284 7.9702 -0.43587 7.6192e+05 2023-02-20 05:39:41,085 INFO [main.py:643]
{rank 0/100} MD step = 444800 step time: 00:00:00.018055 Performance: 507.215 ns/day 0.047 hours/ns 29.353 steps/s 2023-02-20 05:39:42,462 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 59.867 -33499 6561.5 -40061 -40061 14.289 7.9719 -0.43646 7.6209e+05 2023-02-20 05:39:44,339 INFO [main.py:643]
{rank 0/100} MD step = 444900 step time: 00:00:00.018056 Performance: 507.220 ns/day 0.047 hours/ns 29.353 steps/s 2023-02-20 05:39:45,607 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 59.235 -33742 6492.2 -40234 -40234 14.291 7.9729 -0.43788 7.6227e+05 2023-02-20 05:39:47,457 INFO [main.py:643]
{rank 0/100} MD step = 445000 step time: 00:00:00.018132 Performance: 507.230 ns/day 0.047 hours/ns 29.354 steps/s 2023-02-20 05:39:48,756 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 60.396 -33620 6619.5 -40239 -40239 14.297 7.9749 -0.43827 7.6244e+05 2023-02-20 05:39:50,549 INFO [main.py:643]
{rank 0/100} MD step = 445100 step time: 00:00:00.018058 Performance: 507.241 ns/day 0.047 hours/ns 29.354 steps/s 2023-02-20 05:39:51,820 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 60.662 -33513 6648.7 -40161 -40161 14.3 7.9753 -0.43801 7.6261e+05 2023-02-20 05:39:53,724 INFO [main.py:643]
{rank 0/100} MD step = 445200 step time: 00:00:00.018099 Performance: 507.248 ns/day 0.047 hours/ns 29.355 steps/s 2023-02-20 05:39:55,082 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 60.61 -33553 6643 -40196 -40196 14.305 7.9747 -0.43703 7.6275e+05 2023-02-20 05:39:56,997 INFO [main.py:643]
{rank 0/100} MD step = 445300 step time: 00:00:00.018003 Performance: 507.253 ns/day 0.047 hours/ns 29.355 steps/s 2023-02-20 05:39:58,279 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 60.12 -33543 6589.3 -40133 -40133 14.308 7.9779 -0.43561 7.6296e+05 2023-02-20 05:40:00,193 INFO [main.py:643]
{rank 0/100} MD step = 445400 step time: 00:00:00.017906 Performance: 507.260 ns/day 0.047 hours/ns 29.355 steps/s 2023-02-20 05:40:01,519 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 59.913 -33564 6566.5 -40131 -40131 14.31 7.978 -0.43541 7.6316e+05 2023-02-20 05:40:03,416 INFO [main.py:643]
{rank 0/100} MD step = 445500 step time: 00:00:00.018140 Performance: 507.266 ns/day 0.047 hours/ns 29.356 steps/s 2023-02-20 05:40:04,275 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 60.19 -33556 6596.9 -40153 -40153 14.313 7.9789 -0.43561 7.6332e+05 2023-02-20 05:40:06,711 INFO [main.py:643]
{rank 0/100} MD step = 445600 step time: 00:00:00.018171 Performance: 507.270 ns/day 0.047 hours/ns 29.356 steps/s 2023-02-20 05:40:08,095 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 60.476 -33671 6628.3 -40299 -40299 14.317 7.98 -0.43501 7.6344e+05 2023-02-20 05:40:09,967 INFO [main.py:643]
{rank 0/100} MD step = 445700 step time: 00:00:00.018333 Performance: 507.275 ns/day 0.047 hours/ns 29.356 steps/s 2023-02-20 05:40:11,273 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 445700 89140 60.808 -33502 6664.6 -40167 -40167 14.319 7.9806 -0.43455 7.6364e+05 2023-02-20 05:40:13,161 INFO [main.py:643]
{rank 0/100} MD step = 445800 step time: 00:00:00.017874 Performance: 507.282 ns/day 0.047 hours/ns 29.357 steps/s 2023-02-20 05:40:14,574 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 445800 89160 60.218 -33490 6600 -40090 -40090 14.322 7.9814 -0.43286 7.6382e+05 2023-02-20 05:40:16,516 INFO [main.py:643]
{rank 0/100} MD step = 445900 step time: 00:00:00.017942 Performance: 507.284 ns/day 0.047 hours/ns 29.357 steps/s 2023-02-20 05:40:17,827 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 60.238 -33468 6602.1 -40070 -40070 14.324 7.983 -0.43336 7.6398e+05 2023-02-20 05:40:19,805 INFO [main.py:643]
{rank 0/100} MD step = 446000 step time: 00:00:00.018273 Performance: 507.288 ns/day 0.047 hours/ns 29.357 steps/s 2023-02-20 05:40:21,379 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 59.103 -33752 6477.8 -40230 -40230 14.327 7.9845 -0.43274 7.6414e+05 2023-02-20 05:40:23,226 INFO [main.py:643]
{rank 0/100} MD step = 446100 step time: 00:00:00.018000 Performance: 507.287 ns/day 0.047 hours/ns 29.357 steps/s 2023-02-20 05:40:24,550 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 59.575 -33502 6529.5 -40032 -40032 14.329 7.9854 -0.43292 7.6432e+05 2023-02-20 05:40:26,435 INFO [main.py:643]
{rank 0/100} MD step = 446200 step time: 00:00:00.018085 Performance: 507.294 ns/day 0.047 hours/ns 29.357 steps/s 2023-02-20 05:40:27,564 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 60.222 -33478 6600.4 -40078 -40078 14.335 7.9876 -0.43332 7.645e+05 2023-02-20 05:40:29,598 INFO [main.py:643]
{rank 0/100} MD step = 446300 step time: 00:00:00.017850 Performance: 507.302 ns/day 0.047 hours/ns 29.358 steps/s 2023-02-20 05:40:30,876 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 60.183 -33590 6596.1 -40186 -40186 14.338 7.9896 -0.43523 7.6466e+05 2023-02-20 05:40:32,830 INFO [main.py:643]
{rank 0/100} MD step = 446400 step time: 00:00:00.017944 Performance: 507.308 ns/day 0.047 hours/ns 29.358 steps/s 2023-02-20 05:40:34,250 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 60.245 -33454 6602.9 -40057 -40057 14.341 7.9904 -0.43521 7.6487e+05 2023-02-20 05:40:36,180 INFO [main.py:643]
{rank 0/100} MD step = 446500 step time: 00:00:00.018257 Performance: 507.309 ns/day 0.047 hours/ns 29.358 steps/s 2023-02-20 05:40:37,500 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 446500 89300 60.194 -33552 6597.3 -40150 -40150 14.343 7.9914 -0.43519 7.6503e+05 2023-02-20 05:40:39,348 INFO [main.py:643]
{rank 0/100} MD step = 446600 step time: 00:00:00.018366 Performance: 507.317 ns/day 0.047 hours/ns 29.359 steps/s 2023-02-20 05:40:40,627 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 60.292 -33442 6608.1 -40050 -40050 14.348 7.9935 -0.43694 7.6519e+05 2023-02-20 05:40:42,545 INFO [main.py:643]
{rank 0/100} MD step = 446700 step time: 00:00:00.018007 Performance: 507.324 ns/day 0.047 hours/ns 29.359 steps/s 2023-02-20 05:40:43,806 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 59.507 -33692 6522 -40214 -40214 14.351 7.9949 -0.43705 7.6536e+05 2023-02-20 05:40:45,682 INFO [main.py:643]
{rank 0/100} MD step = 446800 step time: 00:00:00.018045 Performance: 507.333 ns/day 0.047 hours/ns 29.360 steps/s 2023-02-20 05:40:46,952 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 59.674 -33565 6540.3 -40105 -40105 14.355 7.9969 -0.43747 7.6552e+05 2023-02-20 05:40:48,850 INFO [main.py:643]
{rank 0/100} MD step = 446900 step time: 00:00:00.018139 Performance: 507.341 ns/day 0.047 hours/ns 29.360 steps/s 2023-02-20 05:40:50,067 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 446900 89380 60.324 -33379 6611.6 -39991 -39991 14.356 7.9982 -0.43692 7.6572e+05 2023-02-20 05:40:52,042 INFO [main.py:643]
{rank 0/100} MD step = 447000 step time: 00:00:00.018326 Performance: 507.348 ns/day 0.047 hours/ns 29.360 steps/s 2023-02-20 05:40:53,358 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 447000 89400 61.144 -33386 6701.5 -40088 -40088 14.362 7.9995 -0.43812 7.6592e+05 2023-02-20 05:40:55,258 INFO [main.py:643]
{rank 0/100} MD step = 447100 step time: 00:00:00.018022 Performance: 507.355 ns/day 0.047 hours/ns 29.361 steps/s 2023-02-20 05:40:56,487 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 447100 89420 59.405 -33529 6510.9 -40040 -40040 14.363 7.9993 -0.43764 7.6607e+05 2023-02-20 05:40:58,437 INFO [main.py:643]
{rank 0/100} MD step = 447200 step time: 00:00:00.017953 Performance: 507.362 ns/day 0.047 hours/ns 29.361 steps/s 2023-02-20 05:40:59,820 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 59.928 -33531 6568.2 -40099 -40099 14.368 8.0024 -0.43723 7.6623e+05 2023-02-20 05:41:01,673 INFO [main.py:643]
{rank 0/100} MD step = 447300 step time: 00:00:00.018385 Performance: 507.368 ns/day 0.047 hours/ns 29.362 steps/s 2023-02-20 05:41:03,153 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 60.192 -33604 6597.1 -40201 -40201 14.37 8.0018 -0.43751 7.6637e+05 2023-02-20 05:41:05,210 INFO [main.py:643]
{rank 0/100} MD step = 447400 step time: 00:00:00.018060 Performance: 507.364 ns/day 0.047 hours/ns 29.361 steps/s 2023-02-20 05:41:06,114 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 60.533 -33356 6634.5 -39991 -39991 14.375 8.0023 -0.43727 7.6661e+05 2023-02-20 05:41:08,754 INFO [main.py:643]
{rank 0/100} MD step = 447500 step time: 00:00:00.018259 Performance: 507.359 ns/day 0.047 hours/ns 29.361 steps/s 2023-02-20 05:41:10,051 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 447500 89500 60.82 -33398 6665.9 -40064 -40064 14.38 8.0019 -0.43764 7.6677e+05 2023-02-20 05:41:12,045 INFO [main.py:643]
{rank 0/100} MD step = 447600 step time: 00:00:00.018205 Performance: 507.363 ns/day 0.047 hours/ns 29.361 steps/s 2023-02-20 05:41:13,242 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 59.569 -33631 6528.8 -40160 -40160 14.383 8.0051 -0.43842 7.6692e+05 2023-02-20 05:41:15,496 INFO [main.py:643]
{rank 0/100} MD step = 447700 step time: 00:00:00.018250 Performance: 507.361 ns/day 0.047 hours/ns 29.361 steps/s 2023-02-20 05:41:16,849 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 60.177 -33511 6595.5 -40106 -40106 14.389 8.0061 -0.43808 7.671e+05 2023-02-20 05:41:18,764 INFO [main.py:643]
{rank 0/100} MD step = 447800 step time: 00:00:00.018418 Performance: 507.366 ns/day 0.047 hours/ns 29.361 steps/s 2023-02-20 05:41:20,100 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 447800 89560 59.567 -33578 6528.6 -40107 -40107 14.391 8.0072 -0.43774 7.6726e+05 2023-02-20 05:41:22,060 INFO [main.py:643]
{rank 0/100} MD step = 447900 step time: 00:00:00.018086 Performance: 507.369 ns/day 0.047 hours/ns 29.362 steps/s 2023-02-20 05:41:22,986 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 59.477 -33568 6518.8 -40087 -40087 14.394 8.0078 -0.43835 7.6744e+05 2023-02-20 05:41:25,373 INFO [main.py:643]
{rank 0/100} MD step = 448000 step time: 00:00:00.018559 Performance: 507.373 ns/day 0.047 hours/ns 29.362 steps/s 2023-02-20 05:41:27,472 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 59.709 -33514 6544.2 -40058 -40058 14.399 8.0089 -0.4384 7.6762e+05 2023-02-20 05:41:29,419 INFO [main.py:643]
{rank 0/100} MD step = 448100 step time: 00:00:00.018112 Performance: 507.351 ns/day 0.047 hours/ns 29.361 steps/s 2023-02-20 05:41:30,718 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 59.609 -33524 6533.2 -40058 -40058 14.403 8.0099 -0.43772 7.6781e+05 2023-02-20 05:41:32,671 INFO [main.py:643]
{rank 0/100} MD step = 448200 step time: 00:00:00.018078 Performance: 507.356 ns/day 0.047 hours/ns 29.361 steps/s 2023-02-20 05:41:33,878 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 59.147 -33596 6482.6 -40078 -40078 14.407 8.0096 -0.43743 7.6797e+05 2023-02-20 05:41:35,843 INFO [main.py:643]
{rank 0/100} MD step = 448300 step time: 00:00:00.017998 Performance: 507.364 ns/day 0.047 hours/ns 29.361 steps/s 2023-02-20 05:41:38,554 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 448300 89660 60.247 -33535 6603.1 -40139 -40139 14.413 8.0088 -0.43673 7.6812e+05 2023-02-20 05:41:40,647 INFO [main.py:643]
{rank 0/100} MD step = 448400 step time: 00:00:00.018665 Performance: 507.318 ns/day 0.047 hours/ns 29.359 steps/s 2023-02-20 05:41:41,980 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 59.981 -33534 6574 -40108 -40108 14.415 8.0103 -0.43786 7.6829e+05 2023-02-20 05:41:43,876 INFO [main.py:643]
{rank 0/100} MD step = 448500 step time: 00:00:00.018140 Performance: 507.324 ns/day 0.047 hours/ns 29.359 steps/s 2023-02-20 05:41:45,396 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 60.8 -33455 6663.7 -40119 -40119 14.42 8.0106 -0.43748 7.6846e+05 2023-02-20 05:41:47,401 INFO [main.py:643]
{rank 0/100} MD step = 448600 step time: 00:00:00.018074 Performance: 507.320 ns/day 0.047 hours/ns 29.359 steps/s 2023-02-20 05:41:48,635 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 60.365 -33475 6616.1 -40091 -40091 14.421 8.0118 -0.44081 7.6862e+05 2023-02-20 05:41:50,547 INFO [main.py:643]
{rank 0/100} MD step = 448700 step time: 00:00:00.017967 Performance: 507.328 ns/day 0.047 hours/ns 29.359 steps/s 2023-02-20 05:41:51,774 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 448700 89740 60.152 -33541 6592.7 -40134 -40134 14.426 8.0126 -0.44025 7.6879e+05 2023-02-20 05:41:53,735 INFO [main.py:643]
{rank 0/100} MD step = 448800 step time: 00:00:00.018002 Performance: 507.336 ns/day 0.047 hours/ns 29.360 steps/s 2023-02-20 05:41:55,181 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 59.804 -33517 6554.6 -40072 -40072 14.427 8.0161 -0.43912 7.6897e+05 2023-02-20 05:41:57,086 INFO [main.py:643]
{rank 0/100} MD step = 448900 step time: 00:00:00.018083 Performance: 507.337 ns/day 0.047 hours/ns 29.360 steps/s 2023-02-20 05:41:58,605 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 60.437 -33562 6624 -40186 -40186 14.432 8.0175 -0.44005 7.691e+05 2023-02-20 05:42:00,519 INFO [main.py:643]
{rank 0/100} MD step = 449000 step time: 00:00:00.018398 Performance: 507.336 ns/day 0.047 hours/ns 29.360 steps/s 2023-02-20 05:42:02,000 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 59.76 -33609 6549.7 -40158 -40158 14.437 8.0187 -0.44004 7.6931e+05 2023-02-20 05:42:03,889 INFO [main.py:643]
{rank 0/100} MD step = 449100 step time: 00:00:00.017928 Performance: 507.338 ns/day 0.047 hours/ns 29.360 steps/s 2023-02-20 05:42:05,276 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 60.505 -33589 6631.5 -40220 -40220 14.441 8.0209 -0.43916 7.6945e+05 2023-02-20 05:42:07,154 INFO [main.py:643]
{rank 0/100} MD step = 449200 step time: 00:00:00.019962 Performance: 507.342 ns/day 0.047 hours/ns 29.360 steps/s 2023-02-20 05:42:08,577 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 60.639 -33439 6646.1 -40086 -40086 14.445 8.0214 -0.44025 7.6961e+05 2023-02-20 05:42:10,409 INFO [main.py:643]
{rank 0/100} MD step = 449300 step time: 00:00:00.018089 Performance: 507.347 ns/day 0.047 hours/ns 29.360 steps/s 2023-02-20 05:42:11,676 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 60.298 -33487 6608.7 -40095 -40095 14.45 8.0219 -0.43856 7.6975e+05 2023-02-20 05:42:13,563 INFO [main.py:643]
{rank 0/100} MD step = 449400 step time: 00:00:00.018215 Performance: 507.356 ns/day 0.047 hours/ns 29.361 steps/s 2023-02-20 05:42:14,783 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 59.722 -33537 6545.6 -40083 -40083 14.452 8.0222 -0.43811 7.6991e+05 2023-02-20 05:42:16,694 INFO [main.py:643]
{rank 0/100} MD step = 449500 step time: 00:00:00.018163 Performance: 507.365 ns/day 0.047 hours/ns 29.361 steps/s 2023-02-20 05:42:18,026 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 59.629 -33660 6535.4 -40196 -40196 14.456 8.0229 -0.43877 7.7004e+05 2023-02-20 05:42:19,962 INFO [main.py:643]
{rank 0/100} MD step = 449600 step time: 00:00:00.018038 Performance: 507.369 ns/day 0.047 hours/ns 29.362 steps/s 2023-02-20 05:42:21,349 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 60.308 -33435 6609.8 -40045 -40045 14.462 8.0224 -0.43829 7.7025e+05 2023-02-20 05:42:23,271 INFO [main.py:643]
{rank 0/100} MD step = 449700 step time: 00:00:00.018032 Performance: 507.373 ns/day 0.047 hours/ns 29.362 steps/s 2023-02-20 05:42:24,645 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 59.911 -33623 6566.3 -40189 -40189 14.465 8.0228 -0.43653 7.7041e+05 2023-02-20 05:42:26,539 INFO [main.py:643]
{rank 0/100} MD step = 449800 step time: 00:00:00.017897 Performance: 507.377 ns/day 0.047 hours/ns 29.362 steps/s 2023-02-20 05:42:28,317 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 60.213 -33554 6599.5 -40153 -40153 14.468 8.0247 -0.43543 7.7058e+05 2023-02-20 05:42:30,193 INFO [main.py:643]
{rank 0/100} MD step = 449900 step time: 00:00:00.018001 Performance: 507.369 ns/day 0.047 hours/ns 29.362 steps/s 2023-02-20 05:42:31,572 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 59.415 -33638 6511.9 -40150 -40150 14.473 8.0273 -0.43566 7.7075e+05 2023-02-20 05:42:33,496 INFO [main.py:643]
{rank 0/100} MD step = 450000 step time: 00:00:00.017987 Performance: 507.372 ns/day 0.047 hours/ns 29.362 steps/s 2023-02-20 05:42:34,811 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 60.66 -33581 6648.4 -40230 -40230 14.476 8.0297 -0.43604 7.7091e+05 2023-02-20 05:42:36,852 INFO [main.py:643]
{rank 0/100} MD step = 450100 step time: 00:00:00.017987 Performance: 507.374 ns/day 0.047 hours/ns 29.362 steps/s 2023-02-20 05:42:38,190 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 59.587 -33530 6530.8 -40061 -40061 14.477 8.0313 -0.43631 7.7112e+05 2023-02-20 05:42:40,162 INFO [main.py:643]
{rank 0/100} MD step = 450200 step time: 00:00:00.018445 Performance: 507.377 ns/day 0.047 hours/ns 29.362 steps/s 2023-02-20 05:42:41,375 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 60.024 -33457 6578.8 -40036 -40036 14.48 8.0325 -0.43635 7.7127e+05 2023-02-20 05:42:43,357 INFO [main.py:643]
{rank 0/100} MD step = 450300 step time: 00:00:00.017855 Performance: 507.384 ns/day 0.047 hours/ns 29.363 steps/s 2023-02-20 05:42:45,379 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 450300 90060 59.512 -33641 6522.6 -40164 -40164 14.481 8.0345 -0.43634 7.7141e+05 2023-02-20 05:42:47,253 INFO [main.py:643]
{rank 0/100} MD step = 450400 step time: 00:00:00.017778 Performance: 507.368 ns/day 0.047 hours/ns 29.362 steps/s 2023-02-20 05:42:48,775 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 59.332 -33630 6502.8 -40133 -40133 14.484 8.0342 -0.43786 7.7162e+05 2023-02-20 05:42:50,694 INFO [main.py:643]
{rank 0/100} MD step = 450500 step time: 00:00:00.018042 Performance: 507.367 ns/day 0.047 hours/ns 29.362 steps/s 2023-02-20 05:42:51,979 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 58.848 -33645 6449.8 -40094 -40094 14.484 8.0351 -0.43761 7.7179e+05 2023-02-20 05:42:53,983 INFO [main.py:643]
{rank 0/100} MD step = 450600 step time: 00:00:00.018425 Performance: 507.371 ns/day 0.047 hours/ns 29.362 steps/s 2023-02-20 05:42:56,604 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 59.886 -33558 6563.5 -40122 -40122 14.488 8.0353 -0.43585 7.7195e+05 2023-02-20 05:42:58,568 INFO [main.py:643]
{rank 0/100} MD step = 450700 step time: 00:00:00.018062 Performance: 507.332 ns/day 0.047 hours/ns 29.359 steps/s 2023-02-20 05:43:00,137 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 60.972 -33427 6682.6 -40109 -40109 14.492 8.0352 -0.43587 7.7211e+05 2023-02-20 05:43:01,956 INFO [main.py:643]
{rank 0/100} MD step = 450800 step time: 00:00:00.017874 Performance: 507.332 ns/day 0.047 hours/ns 29.360 steps/s 2023-02-20 05:43:03,277 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 60.953 -33388 6680.5 -40069 -40069 14.496 8.035 -0.43485 7.7231e+05 2023-02-20 05:43:05,150 INFO [main.py:643]
{rank 0/100} MD step = 450900 step time: 00:00:00.018024 Performance: 507.339 ns/day 0.047 hours/ns 29.360 steps/s 2023-02-20 05:43:06,407 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 59.899 -33550 6565 -40114 -40114 14.5 8.0374 -0.43574 7.7247e+05 2023-02-20 05:43:08,326 INFO [main.py:643]
{rank 0/100} MD step = 451000 step time: 00:00:00.017983 Performance: 507.347 ns/day 0.047 hours/ns 29.360 steps/s 2023-02-20 05:43:15,054 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 59.984 -33433 6574.3 -40007 -40007 14.504 8.0397 -0.4354 7.7265e+05 2023-02-20 05:43:16,914 INFO [main.py:643]
{rank 0/100} MD step = 451100 step time: 00:00:00.017905 Performance: 507.176 ns/day 0.047 hours/ns 29.350 steps/s 2023-02-20 05:43:20,189 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 59.608 -33532 6533.1 -40065 -40065 14.506 8.0418 -0.43328 7.7283e+05 2023-02-20 05:43:22,115 INFO [main.py:643]
{rank 0/100} MD step = 451200 step time: 00:00:00.018061 Performance: 507.117 ns/day 0.047 hours/ns 29.347 steps/s 2023-02-20 05:43:25,022 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 59.374 -33708 6507.5 -40215 -40215 14.51 8.0432 -0.43242 7.7297e+05 2023-02-20 05:43:26,866 INFO [main.py:643]
{rank 0/100} MD step = 451300 step time: 00:00:00.018521 Performance: 507.072 ns/day 0.047 hours/ns 29.344 steps/s 2023-02-20 05:43:28,432 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 59.909 -33389 6566.1 -39955 -39955 14.514 8.0448 -0.43207 7.7315e+05 2023-02-20 05:43:30,342 INFO [main.py:643]
{rank 0/100} MD step = 451400 step time: 00:00:00.018249 Performance: 507.070 ns/day 0.047 hours/ns 29.344 steps/s 2023-02-20 05:43:31,625 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 59.713 -33568 6544.6 -40113 -40113 14.518 8.0456 -0.43349 7.7331e+05 2023-02-20 05:43:33,581 INFO [main.py:643]
{rank 0/100} MD step = 451500 step time: 00:00:00.017946 Performance: 507.076 ns/day 0.047 hours/ns 29.345 steps/s 2023-02-20 05:43:35,123 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 59.774 -33515 6551.3 -40066 -40066 14.524 8.046 -0.43429 7.7351e+05 2023-02-20 05:43:37,002 INFO [main.py:643]
{rank 0/100} MD step = 451600 step time: 00:00:00.018133 Performance: 507.075 ns/day 0.047 hours/ns 29.345 steps/s 2023-02-20 05:43:38,493 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 59.826 -33673 6557 -40230 -40230 14.527 8.0482 -0.4365 7.737e+05 2023-02-20 05:43:40,426 INFO [main.py:643]
{rank 0/100} MD step = 451700 step time: 00:00:00.018289 Performance: 507.075 ns/day 0.047 hours/ns 29.345 steps/s 2023-02-20 05:43:41,803 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 451700 90340 59.746 -33540 6548.2 -40089 -40089 14.528 8.0488 -0.43555 7.7386e+05 2023-02-20 05:43:43,747 INFO [main.py:643]
{rank 0/100} MD step = 451800 step time: 00:00:00.017901 Performance: 507.077 ns/day 0.047 hours/ns 29.345 steps/s 2023-02-20 05:43:45,524 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 58.888 -33530 6454.2 -39984 -39984 14.531 8.0494 -0.43458 7.7404e+05 2023-02-20 05:43:47,333 INFO [main.py:643]
{rank 0/100} MD step = 451900 step time: 00:00:00.018212 Performance: 507.072 ns/day 0.047 hours/ns 29.344 steps/s 2023-02-20 05:43:48,847 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 59.273 -33611 6496.4 -40107 -40107 14.536 8.0509 -0.43469 7.7419e+05 2023-02-20 05:43:50,691 INFO [main.py:643]
{rank 0/100} MD step = 452000 step time: 00:00:00.018386 Performance: 507.073 ns/day 0.047 hours/ns 29.345 steps/s 2023-02-20 05:43:52,187 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 60.055 -33514 6582.1 -40096 -40096 14.539 8.053 -0.43423 7.7439e+05 2023-02-20 05:43:54,046 INFO [main.py:643]
{rank 0/100} MD step = 452100 step time: 00:00:00.018135 Performance: 507.075 ns/day 0.047 hours/ns 29.345 steps/s 2023-02-20 05:43:55,664 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 60.126 -33700 6589.9 -40290 -40290 14.541 8.0549 -0.43469 7.7455e+05 2023-02-20 05:43:57,795 INFO [main.py:643]
{rank 0/100} MD step = 452200 step time: 00:00:00.018063 Performance: 507.064 ns/day 0.047 hours/ns 29.344 steps/s 2023-02-20 05:43:59,060 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 452200 90440 60.398 -33585 6619.6 -40205 -40205 14.545 8.0548 -0.43751 7.7472e+05 2023-02-20 05:44:01,147 INFO [main.py:643]
{rank 0/100} MD step = 452300 step time: 00:00:00.017915 Performance: 507.066 ns/day 0.047 hours/ns 29.344 steps/s 2023-02-20 05:44:02,563 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 59.05 -33688 6471.9 -40159 -40159 14.549 8.0574 -0.43755 7.7492e+05 2023-02-20 05:44:04,425 INFO [main.py:643]
{rank 0/100} MD step = 452400 step time: 00:00:00.018027 Performance: 507.070 ns/day 0.047 hours/ns 29.344 steps/s 2023-02-20 05:44:06,058 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 60.564 -33380 6637.9 -40018 -40018 14.552 8.0591 -0.43703 7.7512e+05 2023-02-20 05:44:08,011 INFO [main.py:643]
{rank 0/100} MD step = 452500 step time: 00:00:00.018098 Performance: 507.064 ns/day 0.047 hours/ns 29.344 steps/s 2023-02-20 05:44:09,520 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 60.801 -33500 6663.9 -40164 -40164 14.556 8.0615 -0.43751 7.7529e+05 2023-02-20 05:44:11,368 INFO [main.py:643]
{rank 0/100} MD step = 452600 step time: 00:00:00.017925 Performance: 507.066 ns/day 0.047 hours/ns 29.344 steps/s 2023-02-20 05:44:12,676 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 59.492 -33575 6520.4 -40095 -40095 14.56 8.0633 -0.4379 7.7546e+05 2023-02-20 05:44:14,588 INFO [main.py:643]
{rank 0/100} MD step = 452700 step time: 00:00:00.018730 Performance: 507.072 ns/day 0.047 hours/ns 29.344 steps/s 2023-02-20 05:44:16,053 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 59.704 -33575 6543.6 -40118 -40118 14.567 8.0654 -0.4375 7.7564e+05 2023-02-20 05:44:17,901 INFO [main.py:643]
{rank 0/100} MD step = 452800 step time: 00:00:00.019259 Performance: 507.075 ns/day 0.047 hours/ns 29.345 steps/s 2023-02-20 05:44:21,496 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 59.553 -33636 6527.1 -40163 -40163 14.569 8.0663 -0.43668 7.7581e+05 2023-02-20 05:44:23,596 INFO [main.py:643]
{rank 0/100} MD step = 452900 step time: 00:00:00.018008 Performance: 507.000 ns/day 0.047 hours/ns 29.340 steps/s 2023-02-20 05:44:25,790 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 59.359 -33694 6505.8 -40200 -40200 14.572 8.0668 -0.43715 7.7595e+05 2023-02-20 05:44:27,742 INFO [main.py:643]
{rank 0/100} MD step = 453000 step time: 00:00:00.017928 Performance: 506.976 ns/day 0.047 hours/ns 29.339 steps/s 2023-02-20 05:44:32,840 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 59.466 -33604 6517.6 -40122 -40122 14.575 8.069 -0.43656 7.7616e+05 2023-02-20 05:44:34,712 INFO [main.py:643]
{rank 0/100} MD step = 453100 step time: 00:00:00.018078 Performance: 506.859 ns/day 0.047 hours/ns 29.332 steps/s 2023-02-20 05:44:36,244 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 59.956 -33518 6571.2 -40089 -40089 14.58 8.0708 -0.43579 7.7629e+05 2023-02-20 05:44:38,172 INFO [main.py:643]
{rank 0/100} MD step = 453200 step time: 00:00:00.017925 Performance: 506.857 ns/day 0.047 hours/ns 29.332 steps/s 2023-02-20 05:44:40,385 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 59.983 -33414 6574.2 -39988 -39988 14.583 8.0711 -0.43666 7.7646e+05 2023-02-20 05:44:42,285 INFO [main.py:643]
{rank 0/100} MD step = 453300 step time: 00:00:00.018105 Performance: 506.834 ns/day 0.047 hours/ns 29.331 steps/s 2023-02-20 05:44:43,757 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 453300 90660 60.175 -33541 6595.2 -40136 -40136 14.586 8.0725 -0.43787 7.7663e+05 2023-02-20 05:44:45,622 INFO [main.py:643]
{rank 0/100} MD step = 453400 step time: 00:00:00.017961 Performance: 506.836 ns/day 0.047 hours/ns 29.331 steps/s 2023-02-20 05:44:47,245 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 453400 90680 60.267 -33477 6605.4 -40082 -40082 14.59 8.0732 -0.43888 7.7682e+05 2023-02-20 05:44:49,114 INFO [main.py:643]
{rank 0/100} MD step = 453500 step time: 00:00:00.017890 Performance: 506.834 ns/day 0.047 hours/ns 29.331 steps/s 2023-02-20 05:44:52,182 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 59.896 -33585 6564.6 -40149 -40149 14.594 8.074 -0.43958 7.7696e+05 2023-02-20 05:44:54,161 INFO [main.py:643]
{rank 0/100} MD step = 453600 step time: 00:00:00.018204 Performance: 506.780 ns/day 0.047 hours/ns 29.328 steps/s 2023-02-20 05:44:58,796 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 59.783 -33641 6552.3 -40193 -40193 14.599 8.0751 -0.43961 7.7714e+05 2023-02-20 05:45:00,681 INFO [main.py:643]
{rank 0/100} MD step = 453700 step time: 00:00:00.017993 Performance: 506.678 ns/day 0.047 hours/ns 29.322 steps/s 2023-02-20 05:45:03,443 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 453700 90740 59.461 -33690 6517 -40208 -40208 14.602 8.0766 -0.43987 7.7732e+05 2023-02-20 05:45:05,343 INFO [main.py:643]
{rank 0/100} MD step = 453800 step time: 00:00:00.017927 Performance: 506.637 ns/day 0.047 hours/ns 29.319 steps/s 2023-02-20 05:45:06,996 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 59.096 -33596 6477 -40073 -40073 14.607 8.0781 -0.44064 7.7754e+05 2023-02-20 05:45:08,905 INFO [main.py:643]
{rank 0/100} MD step = 453900 step time: 00:00:00.018230 Performance: 506.632 ns/day 0.047 hours/ns 29.319 steps/s 2023-02-20 05:45:10,816 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 60.149 -33554 6592.5 -40146 -40146 14.61 8.0788 -0.44065 7.7771e+05 2023-02-20 05:45:12,894 INFO [main.py:643]
{rank 0/100} MD step = 454000 step time: 00:00:00.018402 Performance: 506.613 ns/day 0.047 hours/ns 29.318 steps/s 2023-02-20 05:45:14,264 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 454000 90800 59.732 -33563 6546.8 -40110 -40110 14.613 8.0793 -0.43955 7.779e+05 2023-02-20 05:45:16,197 INFO [main.py:643]
{rank 0/100} MD step = 454100 step time: 00:00:00.018129 Performance: 506.617 ns/day 0.047 hours/ns 29.318 steps/s 2023-02-20 05:45:21,798 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 60.368 -33449 6616.4 -40065 -40065 14.617 8.0806 -0.43911 7.7807e+05 2023-02-20 05:45:23,628 INFO [main.py:643]
{rank 0/100} MD step = 454200 step time: 00:00:00.018234 Performance: 506.485 ns/day 0.047 hours/ns 29.310 steps/s 2023-02-20 05:45:26,445 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 61.144 -33319 6701.5 -40021 -40021 14.62 8.081 -0.43844 7.7824e+05 2023-02-20 05:45:28,355 INFO [main.py:643]
{rank 0/100} MD step = 454300 step time: 00:00:00.018148 Performance: 506.442 ns/day 0.047 hours/ns 29.308 steps/s 2023-02-20 05:45:29,716 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 59.765 -33480 6550.3 -40030 -40030 14.624 8.0812 -0.43869 7.7845e+05 2023-02-20 05:45:31,656 INFO [main.py:643]
{rank 0/100} MD step = 454400 step time: 00:00:00.018375 Performance: 506.446 ns/day 0.047 hours/ns 29.308 steps/s 2023-02-20 05:45:34,945 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 59.478 -33564 6518.8 -40083 -40083 14.629 8.0829 -0.43728 7.7862e+05 2023-02-20 05:45:36,843 INFO [main.py:643]
{rank 0/100} MD step = 454500 step time: 00:00:00.018208 Performance: 506.388 ns/day 0.047 hours/ns 29.305 steps/s 2023-02-20 05:45:38,666 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 454500 90900 59.698 -33502 6543 -40045 -40045 14.636 8.0831 -0.43732 7.788e+05 2023-02-20 05:45:40,571 INFO [main.py:643]
{rank 0/100} MD step = 454600 step time: 00:00:00.018453 Performance: 506.378 ns/day 0.047 hours/ns 29.304 steps/s 2023-02-20 05:45:41,370 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 454600 90920 58.895 -33901 6454.9 -40356 -40356 14.639 8.0847 -0.4372 7.7894e+05 2023-02-20 05:45:43,798 INFO [main.py:643]
{rank 0/100} MD step = 454700 step time: 00:00:00.018371 Performance: 506.384 ns/day 0.047 hours/ns 29.305 steps/s 2023-02-20 05:45:45,761 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 454700 90940 60.024 -33581 6578.7 -40160 -40160 14.642 8.0854 -0.43673 7.7912e+05 2023-02-20 05:45:47,674 INFO [main.py:643]
{rank 0/100} MD step = 454800 step time: 00:00:00.018090 Performance: 506.369 ns/day 0.047 hours/ns 29.304 steps/s 2023-02-20 05:45:49,324 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 60.143 -33479 6591.8 -40071 -40071 14.646 8.0883 -0.43461 7.7931e+05 2023-02-20 05:45:51,142 INFO [main.py:643]
{rank 0/100} MD step = 454900 step time: 00:00:00.018075 Performance: 506.367 ns/day 0.047 hours/ns 29.304 steps/s 2023-02-20 05:45:52,108 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 60.493 -33474 6630.1 -40104 -40104 14.651 8.0883 -0.43486 7.7947e+05 2023-02-20 05:45:54,842 INFO [main.py:643]
{rank 0/100} MD step = 455000 step time: 00:00:00.018233 Performance: 506.358 ns/day 0.047 hours/ns 29.303 steps/s 2023-02-20 05:45:56,184 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 59.886 -33585 6563.6 -40148 -40148 14.655 8.0892 -0.43496 7.7967e+05 2023-02-20 05:45:58,134 INFO [main.py:643]
{rank 0/100} MD step = 455100 step time: 00:00:00.018235 Performance: 506.361 ns/day 0.047 hours/ns 29.303 steps/s 2023-02-20 05:45:59,638 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 60.073 -33565 6584 -40149 -40149 14.659 8.0914 -0.43469 7.7984e+05 2023-02-20 05:46:01,491 INFO [main.py:643]
{rank 0/100} MD step = 455200 step time: 00:00:00.018021 Performance: 506.363 ns/day 0.047 hours/ns 29.303 steps/s 2023-02-20 05:46:03,007 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 59.933 -33462 6568.8 -40031 -40031 14.662 8.094 -0.43406 7.8001e+05 2023-02-20 05:46:04,819 INFO [main.py:643]
{rank 0/100} MD step = 455300 step time: 00:00:00.017926 Performance: 506.366 ns/day 0.047 hours/ns 29.304 steps/s 2023-02-20 05:46:06,210 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 59.773 -33551 6551.2 -40102 -40102 14.664 8.0973 -0.43581 7.8017e+05 2023-02-20 05:46:08,114 INFO [main.py:643]
{rank 0/100} MD step = 455400 step time: 00:00:00.017995 Performance: 506.370 ns/day 0.047 hours/ns 29.304 steps/s 2023-02-20 05:46:09,548 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 60.515 -33371 6632.6 -40004 -40004 14.666 8.098 -0.43636 7.8041e+05 2023-02-20 05:46:11,402 INFO [main.py:643]
{rank 0/100} MD step = 455500 step time: 00:00:00.018010 Performance: 506.374 ns/day 0.047 hours/ns 29.304 steps/s 2023-02-20 05:46:12,821 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 59.913 -33610 6566.6 -40177 -40177 14.669 8.1004 -0.43535 7.8055e+05 2023-02-20 05:46:14,796 INFO [main.py:643]
{rank 0/100} MD step = 455600 step time: 00:00:00.018034 Performance: 506.375 ns/day 0.047 hours/ns 29.304 steps/s 2023-02-20 05:46:16,184 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 59.725 -33612 6545.9 -40157 -40157 14.67 8.1024 -0.43457 7.807e+05 2023-02-20 05:46:18,123 INFO [main.py:643]
{rank 0/100} MD step = 455700 step time: 00:00:00.018160 Performance: 506.377 ns/day 0.047 hours/ns 29.304 steps/s 2023-02-20 05:46:19,890 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 455700 91140 59.657 -33674 6538.5 -40213 -40213 14.675 8.1052 -0.43381 7.8087e+05 2023-02-20 05:46:21,714 INFO [main.py:643]
{rank 0/100} MD step = 455800 step time: 00:00:00.018778 Performance: 506.371 ns/day 0.047 hours/ns 29.304 steps/s 2023-02-20 05:46:23,140 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 455800 91160 60.004 -33412 6576.5 -39988 -39988 14.678 8.108 -0.43301 7.8107e+05 2023-02-20 05:46:25,088 INFO [main.py:643]
{rank 0/100} MD step = 455900 step time: 00:00:00.018014 Performance: 506.373 ns/day 0.047 hours/ns 29.304 steps/s 2023-02-20 05:46:26,604 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 59.566 -33490 6528.5 -40018 -40018 14.678 8.1109 -0.43335 7.8122e+05 2023-02-20 05:46:28,535 INFO [main.py:643]
{rank 0/100} MD step = 456000 step time: 00:00:00.017957 Performance: 506.372 ns/day 0.047 hours/ns 29.304 steps/s 2023-02-20 05:46:29,813 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 456000 91200 59.433 -33517 6513.9 -40031 -40031 14.683 8.1116 -0.43266 7.8141e+05 2023-02-20 05:46:31,782 INFO [main.py:643]
{rank 0/100} MD step = 456100 step time: 00:00:00.018103 Performance: 506.377 ns/day 0.047 hours/ns 29.304 steps/s 2023-02-20 05:46:33,028 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 60.009 -33474 6577.1 -40051 -40051 14.686 8.1142 -0.43138 7.8158e+05 2023-02-20 05:46:35,025 INFO [main.py:643]
{rank 0/100} MD step = 456200 step time: 00:00:00.017989 Performance: 506.383 ns/day 0.047 hours/ns 29.305 steps/s 2023-02-20 05:46:36,273 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 60.877 -33323 6672.2 -39995 -39995 14.691 8.1174 -0.43391 7.8173e+05 2023-02-20 05:46:38,222 INFO [main.py:643]
{rank 0/100} MD step = 456300 step time: 00:00:00.018021 Performance: 506.390 ns/day 0.047 hours/ns 29.305 steps/s 2023-02-20 05:46:39,681 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 59.78 -33553 6551.9 -40105 -40105 14.693 8.1191 -0.43348 7.8189e+05 2023-02-20 05:46:41,657 INFO [main.py:643]
{rank 0/100} MD step = 456400 step time: 00:00:00.018433 Performance: 506.389 ns/day 0.047 hours/ns 29.305 steps/s 2023-02-20 05:46:42,794 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 59.572 -33428 6529.2 -39957 -39957 14.696 8.1192 -0.4322 7.8207e+05 2023-02-20 05:46:44,852 INFO [main.py:643]
{rank 0/100} MD step = 456500 step time: 00:00:00.018117 Performance: 506.396 ns/day 0.047 hours/ns 29.305 steps/s 2023-02-20 05:46:46,187 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 59.812 -33608 6555.5 -40163 -40163 14.7 8.1218 -0.43177 7.8222e+05 2023-02-20 05:46:48,103 INFO [main.py:643]
{rank 0/100} MD step = 456600 step time: 00:00:00.018152 Performance: 506.401 ns/day 0.047 hours/ns 29.306 steps/s 2023-02-20 05:46:49,347 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 60.237 -33637 6602 -40239 -40239 14.701 8.124 -0.43231 7.8238e+05 2023-02-20 05:46:51,297 INFO [main.py:643]
{rank 0/100} MD step = 456700 step time: 00:00:00.018120 Performance: 506.408 ns/day 0.047 hours/ns 29.306 steps/s 2023-02-20 05:46:52,624 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 60.03 -33485 6579.4 -40064 -40064 14.706 8.1256 -0.43168 7.8259e+05 2023-02-20 05:46:54,543 INFO [main.py:643]
{rank 0/100} MD step = 456800 step time: 00:00:00.018063 Performance: 506.414 ns/day 0.047 hours/ns 29.306 steps/s 2023-02-20 05:46:55,905 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 456800 91360 59.168 -33712 6484.8 -40197 -40197 14.711 8.1274 -0.43162 7.8273e+05 2023-02-20 05:46:57,717 INFO [main.py:643]
{rank 0/100} MD step = 456900 step time: 00:00:00.018042 Performance: 506.421 ns/day 0.047 hours/ns 29.307 steps/s 2023-02-20 05:46:59,023 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 59.688 -33500 6541.9 -40042 -40042 14.713 8.1294 -0.43289 7.829e+05 2023-02-20 05:47:01,002 INFO [main.py:643]
{rank 0/100} MD step = 457000 step time: 00:00:00.018212 Performance: 506.425 ns/day 0.047 hours/ns 29.307 steps/s 2023-02-20 05:47:02,655 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 60.321 -33566 6611.3 -40177 -40177 14.717 8.1289 -0.43273 7.8308e+05 2023-02-20 05:47:04,535 INFO [main.py:643]
{rank 0/100} MD step = 457100 step time: 00:00:00.017920 Performance: 506.422 ns/day 0.047 hours/ns 29.307 steps/s 2023-02-20 05:47:06,105 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 457100 91420 60.477 -33352 6628.4 -39981 -39981 14.722 8.1306 -0.43147 7.8323e+05 2023-02-20 05:47:08,123 INFO [main.py:643]
{rank 0/100} MD step = 457200 step time: 00:00:00.018499 Performance: 506.416 ns/day 0.047 hours/ns 29.306 steps/s 2023-02-20 05:47:12,818 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 60.294 -33582 6608.3 -40190 -40190 14.727 8.132 -0.43239 7.834e+05 2023-02-20 05:47:14,629 INFO [main.py:643]
{rank 0/100} MD step = 457300 step time: 00:00:00.019211 Performance: 506.315 ns/day 0.047 hours/ns 29.301 steps/s 2023-02-20 05:47:20,090 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 60.176 -33482 6595.4 -40077 -40077 14.73 8.1343 -0.43404 7.8357e+05 2023-02-20 05:47:22,115 INFO [main.py:643]
{rank 0/100} MD step = 457400 step time: 00:00:00.018200 Performance: 506.183 ns/day 0.047 hours/ns 29.293 steps/s 2023-02-20 05:47:23,430 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 60.134 -33476 6590.8 -40067 -40067 14.734 8.1352 -0.43439 7.8377e+05 2023-02-20 05:47:25,345 INFO [main.py:643]
{rank 0/100} MD step = 457500 step time: 00:00:00.018218 Performance: 506.189 ns/day 0.047 hours/ns 29.293 steps/s 2023-02-20 05:47:26,569 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 60.05 -33589 6581.5 -40170 -40170 14.736 8.1361 -0.43383 7.8395e+05 2023-02-20 05:47:28,441 INFO [main.py:643]
{rank 0/100} MD step = 457600 step time: 00:00:00.017908 Performance: 506.200 ns/day 0.047 hours/ns 29.294 steps/s 2023-02-20 05:47:29,829 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 60.55 -33472 6636.3 -40108 -40108 14.738 8.1374 -0.43412 7.8411e+05 2023-02-20 05:47:31,703 INFO [main.py:643]
{rank 0/100} MD step = 457700 step time: 00:00:00.018086 Performance: 506.205 ns/day 0.047 hours/ns 29.294 steps/s 2023-02-20 05:47:32,964 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 60.085 -33625 6585.3 -40210 -40210 14.742 8.1396 -0.43543 7.8425e+05 2023-02-20 05:47:34,916 INFO [main.py:643]
{rank 0/100} MD step = 457800 step time: 00:00:00.018042 Performance: 506.211 ns/day 0.047 hours/ns 29.295 steps/s 2023-02-20 05:47:36,160 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 60.57 -33446 6638.6 -40084 -40084 14.743 8.1422 -0.43552 7.8444e+05 2023-02-20 05:47:38,101 INFO [main.py:643]
{rank 0/100} MD step = 457900 step time: 00:00:00.018148 Performance: 506.218 ns/day 0.047 hours/ns 29.295 steps/s 2023-02-20 05:47:39,437 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 59.469 -33470 6517.9 -39988 -39988 14.744 8.1433 -0.43774 7.8463e+05 2023-02-20 05:47:41,251 INFO [main.py:643]
{rank 0/100} MD step = 458000 step time: 00:00:00.018256 Performance: 506.227 ns/day 0.047 hours/ns 29.296 steps/s 2023-02-20 05:47:42,584 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 60.36 -33659 6615.5 -40275 -40275 14.748 8.1458 -0.43706 7.8473e+05 2023-02-20 05:47:44,885 INFO [main.py:643]
{rank 0/100} MD step = 458100 step time: 00:00:00.018394 Performance: 506.220 ns/day 0.047 hours/ns 29.295 steps/s 2023-02-20 05:47:46,068 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 60.38 -33466 6617.7 -40084 -40084 14.752 8.1459 -0.43616 7.8495e+05 2023-02-20 05:47:48,004 INFO [main.py:643]
{rank 0/100} MD step = 458200 step time: 00:00:00.018079 Performance: 506.229 ns/day 0.047 hours/ns 29.296 steps/s 2023-02-20 05:47:49,392 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 458200 91640 59.986 -33558 6574.5 -40133 -40133 14.757 8.1472 -0.43574 7.8513e+05 2023-02-20 05:47:51,234 INFO [main.py:643]
{rank 0/100} MD step = 458300 step time: 00:00:00.019152 Performance: 506.235 ns/day 0.047 hours/ns 29.296 steps/s 2023-02-20 05:47:52,494 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 60.04 -33560 6580.5 -40140 -40140 14.76 8.147 -0.43543 7.8529e+05 2023-02-20 05:47:54,395 INFO [main.py:643]
{rank 0/100} MD step = 458400 step time: 00:00:00.017979 Performance: 506.243 ns/day 0.047 hours/ns 29.296 steps/s 2023-02-20 05:47:55,809 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 60.488 -33494 6629.5 -40123 -40123 14.763 8.1487 -0.43518 7.8549e+05 2023-02-20 05:47:57,640 INFO [main.py:643]
{rank 0/100} MD step = 458500 step time: 00:00:00.018114 Performance: 506.249 ns/day 0.047 hours/ns 29.297 steps/s 2023-02-20 05:47:58,931 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 59.637 -33579 6536.3 -40115 -40115 14.766 8.1509 -0.43318 7.8567e+05 2023-02-20 05:48:00,795 INFO [main.py:643]
{rank 0/100} MD step = 458600 step time: 00:00:00.017914 Performance: 506.257 ns/day 0.047 hours/ns 29.297 steps/s 2023-02-20 05:48:02,100 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 60 -33455 6576.1 -40032 -40032 14.77 8.1518 -0.43319 7.8586e+05 2023-02-20 05:48:03,954 INFO [main.py:643]
{rank 0/100} MD step = 458700 step time: 00:00:00.017995 Performance: 506.265 ns/day 0.047 hours/ns 29.298 steps/s 2023-02-20 05:48:05,277 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 458700 91740 60.009 -33606 6577 -40183 -40183 14.774 8.1546 -0.43373 7.8598e+05 2023-02-20 05:48:07,184 INFO [main.py:643]
{rank 0/100} MD step = 458800 step time: 00:00:00.017942 Performance: 506.271 ns/day 0.047 hours/ns 29.298 steps/s 2023-02-20 05:48:08,366 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 458800 91760 59.329 -33536 6502.6 -40038 -40038 14.779 8.1559 -0.43202 7.862e+05 2023-02-20 05:48:10,389 INFO [main.py:643]
{rank 0/100} MD step = 458900 step time: 00:00:00.018031 Performance: 506.278 ns/day 0.047 hours/ns 29.299 steps/s 2023-02-20 05:48:11,658 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 60.307 -33480 6609.7 -40090 -40090 14.783 8.1574 -0.43178 7.8638e+05 2023-02-20 05:48:13,516 INFO [main.py:643]
{rank 0/100} MD step = 459000 step time: 00:00:00.018069 Performance: 506.287 ns/day 0.047 hours/ns 29.299 steps/s 2023-02-20 05:48:14,689 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 60.869 -33521 6671.3 -40192 -40192 14.786 8.1591 -0.43258 7.8655e+05 2023-02-20 05:48:16,609 INFO [main.py:643]
{rank 0/100} MD step = 459100 step time: 00:00:00.018206 Performance: 506.298 ns/day 0.047 hours/ns 29.300 steps/s 2023-02-20 05:48:17,907 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 59.941 -33585 6569.6 -40155 -40155 14.79 8.1633 -0.43376 7.8672e+05 2023-02-20 05:48:19,797 INFO [main.py:643]
{rank 0/100} MD step = 459200 step time: 00:00:00.018114 Performance: 506.305 ns/day 0.047 hours/ns 29.300 steps/s 2023-02-20 05:48:21,292 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 459200 91840 59.595 -33555 6531.6 -40086 -40086 14.792 8.1662 -0.43292 7.8692e+05 2023-02-20 05:48:23,174 INFO [main.py:643]
{rank 0/100} MD step = 459300 step time: 00:00:00.018159 Performance: 506.306 ns/day 0.047 hours/ns 29.300 steps/s 2023-02-20 05:48:24,496 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 60.425 -33467 6622.7 -40089 -40089 14.797 8.1677 -0.43061 7.8707e+05 2023-02-20 05:48:26,309 INFO [main.py:643]
{rank 0/100} MD step = 459400 step time: 00:00:00.018270 Performance: 506.315 ns/day 0.047 hours/ns 29.301 steps/s 2023-02-20 05:48:27,556 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 59.278 -33484 6497 -39981 -39981 14.802 8.1688 -0.42987 7.8723e+05 2023-02-20 05:48:29,445 INFO [main.py:643]
{rank 0/100} MD step = 459500 step time: 00:00:00.017993 Performance: 506.324 ns/day 0.047 hours/ns 29.301 steps/s 2023-02-20 05:48:30,750 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 59.995 -33510 6575.5 -40085 -40085 14.806 8.1711 -0.43232 7.8738e+05 2023-02-20 05:48:32,702 INFO [main.py:643]
{rank 0/100} MD step = 459600 step time: 00:00:00.017944 Performance: 506.329 ns/day 0.047 hours/ns 29.301 steps/s 2023-02-20 05:48:34,080 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 60.143 -33566 6591.7 -40157 -40157 14.811 8.1719 -0.43246 7.8754e+05 2023-02-20 05:48:35,996 INFO [main.py:643]
{rank 0/100} MD step = 459700 step time: 00:00:00.018043 Performance: 506.333 ns/day 0.047 hours/ns 29.302 steps/s 2023-02-20 05:48:37,374 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 58.696 -33668 6433.2 -40101 -40101 14.813 8.1727 -0.43294 7.877e+05 2023-02-20 05:48:39,241 INFO [main.py:643]
{rank 0/100} MD step = 459800 step time: 00:00:00.018244 Performance: 506.338 ns/day 0.047 hours/ns 29.302 steps/s 2023-02-20 05:48:40,600 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 59.946 -33560 6570.1 -40130 -40130 14.815 8.177 -0.43254 7.8786e+05 2023-02-20 05:48:42,441 INFO [main.py:643]
{rank 0/100} MD step = 459900 step time: 00:00:00.018004 Performance: 506.345 ns/day 0.047 hours/ns 29.302 steps/s 2023-02-20 05:48:43,674 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 60.341 -33460 6613.5 -40073 -40073 14.817 8.177 -0.43286 7.8804e+05 2023-02-20 05:48:45,598 INFO [main.py:643]
{rank 0/100} MD step = 460000 step time: 00:00:00.017986 Performance: 506.353 ns/day 0.047 hours/ns 29.303 steps/s 2023-02-20 05:48:47,149 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 60.165 -33622 6594.1 -40216 -40216 14.822 8.1782 -0.43428 7.8819e+05 2023-02-20 05:48:49,004 INFO [main.py:643]
{rank 0/100} MD step = 460100 step time: 00:00:00.018010 Performance: 506.354 ns/day 0.047 hours/ns 29.303 steps/s 2023-02-20 05:48:50,439 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 59.576 -33564 6529.6 -40093 -40093 14.827 8.1803 -0.43481 7.884e+05 2023-02-20 05:48:52,304 INFO [main.py:643]
{rank 0/100} MD step = 460200 step time: 00:00:00.017934 Performance: 506.357 ns/day 0.047 hours/ns 29.303 steps/s 2023-02-20 05:48:53,688 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 60.33 -33573 6612.3 -40185 -40185 14.831 8.1813 -0.43348 7.8855e+05 2023-02-20 05:48:55,500 INFO [main.py:643]
{rank 0/100} MD step = 460300 step time: 00:00:00.018295 Performance: 506.364 ns/day 0.047 hours/ns 29.303 steps/s 2023-02-20 05:48:56,818 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 59.844 -33553 6559 -40112 -40112 14.833 8.1839 -0.43355 7.8875e+05 2023-02-20 05:48:58,691 INFO [main.py:643]
{rank 0/100} MD step = 460400 step time: 00:00:00.017991 Performance: 506.371 ns/day 0.047 hours/ns 29.304 steps/s 2023-02-20 05:49:00,011 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 59.852 -33670 6559.8 -40229 -40229 14.837 8.1861 -0.43608 7.889e+05 2023-02-20 05:49:01,941 INFO [main.py:643]
{rank 0/100} MD step = 460500 step time: 00:00:00.018564 Performance: 506.377 ns/day 0.047 hours/ns 29.304 steps/s 2023-02-20 05:49:03,131 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 60.24 -33623 6602.4 -40226 -40226 14.841 8.1865 -0.43722 7.8908e+05 2023-02-20 05:49:05,080 INFO [main.py:643]
{rank 0/100} MD step = 460600 step time: 00:00:00.018392 Performance: 506.386 ns/day 0.047 hours/ns 29.305 steps/s 2023-02-20 05:49:06,368 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 60.695 -33490 6652.2 -40142 -40142 14.848 8.1878 -0.43578 7.8927e+05 2023-02-20 05:49:08,249 INFO [main.py:643]
{rank 0/100} MD step = 460700 step time: 00:00:00.018478 Performance: 506.393 ns/day 0.047 hours/ns 29.305 steps/s 2023-02-20 05:49:09,612 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 60.099 -33407 6586.9 -39994 -39994 14.853 8.1887 -0.43532 7.8943e+05 2023-02-20 05:49:11,529 INFO [main.py:643]
{rank 0/100} MD step = 460800 step time: 00:00:00.018204 Performance: 506.398 ns/day 0.047 hours/ns 29.305 steps/s 2023-02-20 05:49:13,116 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 59.712 -33629 6544.5 -40174 -40174 14.857 8.1918 -0.43564 7.896e+05 2023-02-20 05:49:15,014 INFO [main.py:643]
{rank 0/100} MD step = 460900 step time: 00:00:00.018225 Performance: 506.395 ns/day 0.047 hours/ns 29.305 steps/s 2023-02-20 05:49:16,290 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 59.456 -33598 6516.4 -40114 -40114 14.86 8.1947 -0.43587 7.8976e+05 2023-02-20 05:49:18,228 INFO [main.py:643]
{rank 0/100} MD step = 461000 step time: 00:00:00.018078 Performance: 506.402 ns/day 0.047 hours/ns 29.306 steps/s 2023-02-20 05:49:19,818 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 60.041 -33416 6580.6 -39997 -39997 14.865 8.1954 -0.43502 7.8992e+05 2023-02-20 05:49:21,655 INFO [main.py:643]
{rank 0/100} MD step = 461100 step time: 00:00:00.018087 Performance: 506.401 ns/day 0.047 hours/ns 29.306 steps/s 2023-02-20 05:49:23,102 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 60.379 -33395 6617.7 -40013 -40013 14.869 8.1983 -0.43418 7.901e+05 2023-02-20 05:49:25,011 INFO [main.py:643]
{rank 0/100} MD step = 461200 step time: 00:00:00.018490 Performance: 506.403 ns/day 0.047 hours/ns 29.306 steps/s 2023-02-20 05:49:26,719 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 461200 92240 59.507 -33614 6522.1 -40136 -40136 14.873 8.2001 -0.43331 7.9026e+05 2023-02-20 05:49:28,607 INFO [main.py:643]
{rank 0/100} MD step = 461300 step time: 00:00:00.018082 Performance: 506.397 ns/day 0.047 hours/ns 29.305 steps/s 2023-02-20 05:49:29,816 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 61.06 -33448 6692.2 -40140 -40140 14.877 8.202 -0.43275 7.9046e+05 2023-02-20 05:49:31,763 INFO [main.py:643]
{rank 0/100} MD step = 461400 step time: 00:00:00.018109 Performance: 506.405 ns/day 0.047 hours/ns 29.306 steps/s 2023-02-20 05:49:33,186 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 461400 92280 60.889 -33428 6673.5 -40101 -40101 14.879 8.2043 -0.43122 7.9063e+05 2023-02-20 05:49:35,077 INFO [main.py:643]
{rank 0/100} MD step = 461500 step time: 00:00:00.018136 Performance: 506.408 ns/day 0.047 hours/ns 29.306 steps/s 2023-02-20 05:49:36,761 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 59.851 -33597 6559.8 -40157 -40157 14.882 8.2074 -0.43236 7.9078e+05 2023-02-20 05:49:38,604 INFO [main.py:643]
{rank 0/100} MD step = 461600 step time: 00:00:00.018109 Performance: 506.405 ns/day 0.047 hours/ns 29.306 steps/s 2023-02-20 05:49:40,310 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 461600 92320 59.435 -33567 6514.2 -40081 -40081 14.888 8.2084 -0.43328 7.9094e+05 2023-02-20 05:49:42,212 INFO [main.py:643]
{rank 0/100} MD step = 461700 step time: 00:00:00.018137 Performance: 506.399 ns/day 0.047 hours/ns 29.305 steps/s 2023-02-20 05:49:43,995 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 60.93 -33450 6678 -40128 -40128 14.892 8.2091 -0.43168 7.9113e+05 2023-02-20 05:49:45,866 INFO [main.py:643]
{rank 0/100} MD step = 461800 step time: 00:00:00.018163 Performance: 506.391 ns/day 0.047 hours/ns 29.305 steps/s 2023-02-20 05:49:47,198 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 60.686 -33615 6651.3 -40267 -40267 14.893 8.2103 -0.4332 7.913e+05 2023-02-20 05:49:49,063 INFO [main.py:643]
{rank 0/100} MD step = 461900 step time: 00:00:00.018533 Performance: 506.398 ns/day 0.047 hours/ns 29.305 steps/s 2023-02-20 05:49:50,469 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 60.587 -33602 6640.4 -40243 -40243 14.9 8.2115 -0.43256 7.9148e+05 2023-02-20 05:49:52,419 INFO [main.py:643]
{rank 0/100} MD step = 462000 step time: 00:00:00.018233 Performance: 506.399 ns/day 0.047 hours/ns 29.306 steps/s 2023-02-20 05:49:53,197 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 60.555 -33522 6636.9 -40159 -40159 14.904 8.2134 -0.43251 7.9167e+05 2023-02-20 05:49:55,543 INFO [main.py:643]
{rank 0/100} MD step = 462100 step time: 00:00:00.017953 Performance: 506.409 ns/day 0.047 hours/ns 29.306 steps/s 2023-02-20 05:49:57,239 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 59.67 -33702 6539.9 -40242 -40242 14.91 8.215 -0.43397 7.9184e+05 2023-02-20 05:49:59,228 INFO [main.py:643]
{rank 0/100} MD step = 462200 step time: 00:00:00.017907 Performance: 506.400 ns/day 0.047 hours/ns 29.306 steps/s 2023-02-20 05:50:00,789 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 59.716 -33436 6544.9 -39981 -39981 14.914 8.2177 -0.43451 7.9205e+05 2023-02-20 05:50:02,655 INFO [main.py:643]
{rank 0/100} MD step = 462300 step time: 00:00:00.019196 Performance: 506.399 ns/day 0.047 hours/ns 29.306 steps/s 2023-02-20 05:50:03,930 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 60.051 -33471 6581.7 -40053 -40053 14.918 8.2203 -0.43557 7.9223e+05 2023-02-20 05:50:05,838 INFO [main.py:643]
{rank 0/100} MD step = 462400 step time: 00:00:00.018058 Performance: 506.407 ns/day 0.047 hours/ns 29.306 steps/s 2023-02-20 05:50:07,263 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 59.53 -33671 6524.6 -40196 -40196 14.922 8.2213 -0.43648 7.924e+05 2023-02-20 05:50:09,113 INFO [main.py:643]
{rank 0/100} MD step = 462500 step time: 00:00:00.018300 Performance: 506.411 ns/day 0.047 hours/ns 29.306 steps/s 2023-02-20 05:50:10,597 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 59.919 -33572 6567.1 -40139 -40139 14.926 8.2215 -0.43601 7.9256e+05 2023-02-20 05:50:12,409 INFO [main.py:643]
{rank 0/100} MD step = 462600 step time: 00:00:00.018594 Performance: 506.415 ns/day 0.047 hours/ns 29.306 steps/s 2023-02-20 05:50:14,053 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 462600 92520 60.53 -33446 6634.1 -40080 -40080 14.931 8.2235 -0.4358 7.9276e+05 2023-02-20 05:50:15,972 INFO [main.py:643]
{rank 0/100} MD step = 462700 step time: 00:00:00.017984 Performance: 506.410 ns/day 0.047 hours/ns 29.306 steps/s 2023-02-20 05:50:17,312 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 59.95 -33507 6570.6 -40078 -40078 14.934 8.2256 -0.43662 7.9289e+05 2023-02-20 05:50:19,249 INFO [main.py:643]
{rank 0/100} MD step = 462800 step time: 00:00:00.018299 Performance: 506.414 ns/day 0.047 hours/ns 29.306 steps/s 2023-02-20 05:50:20,637 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 60.837 -33417 6667.9 -40085 -40085 14.936 8.2271 -0.43734 7.9307e+05 2023-02-20 05:50:22,450 INFO [main.py:643]
{rank 0/100} MD step = 462900 step time: 00:00:00.018014 Performance: 506.421 ns/day 0.047 hours/ns 29.307 steps/s 2023-02-20 05:50:23,834 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 60.196 -33494 6597.6 -40092 -40092 14.94 8.2293 -0.43844 7.9325e+05 2023-02-20 05:50:25,855 INFO [main.py:643]
{rank 0/100} MD step = 463000 step time: 00:00:00.018419 Performance: 506.422 ns/day 0.047 hours/ns 29.307 steps/s 2023-02-20 05:50:27,148 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 60.859 -33526 6670.3 -40196 -40196 14.944 8.2299 -0.43782 7.9342e+05 2023-02-20 05:50:29,041 INFO [main.py:643]
{rank 0/100} MD step = 463100 step time: 00:00:00.018008 Performance: 506.429 ns/day 0.047 hours/ns 29.307 steps/s 2023-02-20 05:50:30,308 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 59.876 -33593 6562.4 -40155 -40155 14.948 8.2304 -0.43656 7.936e+05 2023-02-20 05:50:32,231 INFO [main.py:643]
{rank 0/100} MD step = 463200 step time: 00:00:00.018028 Performance: 506.436 ns/day 0.047 hours/ns 29.308 steps/s 2023-02-20 05:50:33,568 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 59.29 -33600 6498.3 -40098 -40098 14.954 8.2337 -0.43723 7.938e+05 2023-02-20 05:50:35,444 INFO [main.py:643]
{rank 0/100} MD step = 463300 step time: 00:00:00.018010 Performance: 506.442 ns/day 0.047 hours/ns 29.308 steps/s 2023-02-20 05:50:36,968 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 463300 92660 60.73 -33513 6656.1 -40169 -40169 14.959 8.2371 -0.43719 7.9394e+05 2023-02-20 05:50:38,878 INFO [main.py:643]
{rank 0/100} MD step = 463400 step time: 00:00:00.018116 Performance: 506.442 ns/day 0.047 hours/ns 29.308 steps/s 2023-02-20 05:50:40,192 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 463400 92680 59.67 -33649 6539.9 -40189 -40189 14.963 8.239 -0.4387 7.9409e+05 2023-02-20 05:50:42,099 INFO [main.py:643]
{rank 0/100} MD step = 463500 step time: 00:00:00.018411 Performance: 506.448 ns/day 0.047 hours/ns 29.308 steps/s 2023-02-20 05:50:43,248 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 59.679 -33517 6540.9 -40057 -40057 14.966 8.2415 -0.43771 7.9428e+05 2023-02-20 05:50:45,257 INFO [main.py:643]
{rank 0/100} MD step = 463600 step time: 00:00:00.017994 Performance: 506.456 ns/day 0.047 hours/ns 29.309 steps/s 2023-02-20 05:50:46,565 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 60.403 -33598 6620.2 -40218 -40218 14.971 8.2424 -0.43934 7.9445e+05 2023-02-20 05:50:48,450 INFO [main.py:643]
{rank 0/100} MD step = 463700 step time: 00:00:00.017955 Performance: 506.463 ns/day 0.047 hours/ns 29.309 steps/s 2023-02-20 05:50:49,764 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 60.23 -33504 6601.3 -40105 -40105 14.976 8.2448 -0.43925 7.9462e+05 2023-02-20 05:50:51,597 INFO [main.py:643]
{rank 0/100} MD step = 463800 step time: 00:00:00.018070 Performance: 506.471 ns/day 0.047 hours/ns 29.310 steps/s 2023-02-20 05:50:52,890 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 59.842 -33574 6558.8 -40133 -40133 14.98 8.2471 -0.43891 7.9481e+05 2023-02-20 05:50:54,768 INFO [main.py:643]
{rank 0/100} MD step = 463900 step time: 00:00:00.018313 Performance: 506.479 ns/day 0.047 hours/ns 29.310 steps/s 2023-02-20 05:50:56,087 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 463900 92780 59.813 -33502 6555.6 -40058 -40058 14.984 8.2475 -0.43881 7.9499e+05 2023-02-20 05:50:58,024 INFO [main.py:643]
{rank 0/100} MD step = 464000 step time: 00:00:00.017916 Performance: 506.484 ns/day 0.047 hours/ns 29.310 steps/s 2023-02-20 05:50:59,325 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 60.347 -33380 6614.1 -39994 -39994 14.989 8.2494 -0.43795 7.9516e+05 2023-02-20 05:51:01,193 INFO [main.py:643]
{rank 0/100} MD step = 464100 step time: 00:00:00.019891 Performance: 506.492 ns/day 0.047 hours/ns 29.311 steps/s 2023-02-20 05:51:02,472 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 60.471 -33486 6627.7 -40113 -40113 14.995 8.25 -0.4369 7.9531e+05 2023-02-20 05:51:04,388 INFO [main.py:643]
{rank 0/100} MD step = 464200 step time: 00:00:00.018025 Performance: 506.499 ns/day 0.047 hours/ns 29.311 steps/s 2023-02-20 05:51:05,679 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 59.694 -33553 6542.5 -40095 -40095 14.999 8.2507 -0.43759 7.9549e+05 2023-02-20 05:51:07,574 INFO [main.py:643]
{rank 0/100} MD step = 464300 step time: 00:00:00.017864 Performance: 506.506 ns/day 0.047 hours/ns 29.312 steps/s 2023-02-20 05:51:08,899 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 60.547 -33530 6636 -40166 -40166 15.004 8.2524 -0.43823 7.9566e+05 2023-02-20 05:51:10,820 INFO [main.py:643]
{rank 0/100} MD step = 464400 step time: 00:00:00.018125 Performance: 506.511 ns/day 0.047 hours/ns 29.312 steps/s 2023-02-20 05:51:12,197 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 59.822 -33556 6556.6 -40113 -40113 15.01 8.2538 -0.43875 7.9581e+05 2023-02-20 05:51:14,225 INFO [main.py:643]
{rank 0/100} MD step = 464500 step time: 00:00:00.046404 Performance: 506.511 ns/day 0.047 hours/ns 29.312 steps/s 2023-02-20 05:51:15,564 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 59.52 -33588 6523.5 -40112 -40112 15.015 8.2552 -0.43902 7.9599e+05 2023-02-20 05:51:18,117 INFO [main.py:643]
{rank 0/100} MD step = 464600 step time: 00:00:00.018237 Performance: 506.496 ns/day 0.047 hours/ns 29.311 steps/s 2023-02-20 05:51:18,996 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 58.988 -33651 6465.1 -40116 -40116 15.02 8.2582 -0.43972 7.9616e+05 2023-02-20 05:51:21,380 INFO [main.py:643]
{rank 0/100} MD step = 464700 step time: 00:00:00.017958 Performance: 506.501 ns/day 0.047 hours/ns 29.311 steps/s 2023-02-20 05:51:22,731 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 464700 92940 59.663 -33606 6539.2 -40145 -40145 15.023 8.2605 -0.44134 7.9632e+05 2023-02-20 05:51:24,670 INFO [main.py:643]
{rank 0/100} MD step = 464800 step time: 00:00:00.018188 Performance: 506.505 ns/day 0.047 hours/ns 29.312 steps/s 2023-02-20 05:51:25,852 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 60.655 -33526 6647.8 -40174 -40174 15.028 8.2619 -0.44309 7.9647e+05 2023-02-20 05:51:27,825 INFO [main.py:643]
{rank 0/100} MD step = 464900 step time: 00:00:00.018002 Performance: 506.513 ns/day 0.047 hours/ns 29.312 steps/s 2023-02-20 05:51:29,097 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 60.248 -33592 6603.2 -40195 -40195 15.033 8.2635 -0.44245 7.9664e+05 2023-02-20 05:51:31,004 INFO [main.py:643]
{rank 0/100} MD step = 465000 step time: 00:00:00.017928 Performance: 506.520 ns/day 0.047 hours/ns 29.313 steps/s 2023-02-20 05:51:32,371 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 59.646 -33551 6537.2 -40088 -40088 15.039 8.2664 -0.4405 7.9684e+05 2023-02-20 05:51:34,288 INFO [main.py:643]
{rank 0/100} MD step = 465100 step time: 00:00:00.017955 Performance: 506.524 ns/day 0.047 hours/ns 29.313 steps/s 2023-02-20 05:51:35,374 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 59.916 -33477 6566.8 -40044 -40044 15.044 8.2681 -0.44147 7.9701e+05 2023-02-20 05:51:37,804 INFO [main.py:643]
{rank 0/100} MD step = 465200 step time: 00:00:00.018118 Performance: 506.521 ns/day 0.047 hours/ns 29.313 steps/s 2023-02-20 05:51:39,076 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 60.423 -33465 6622.4 -40088 -40088 15.047 8.2709 -0.4394 7.9719e+05 2023-02-20 05:51:41,006 INFO [main.py:643]
{rank 0/100} MD step = 465300 step time: 00:00:00.017990 Performance: 506.528 ns/day 0.047 hours/ns 29.313 steps/s 2023-02-20 05:51:42,307 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 60.042 -33470 6580.7 -40051 -40051 15.052 8.272 -0.44072 7.9737e+05 2023-02-20 05:51:44,203 INFO [main.py:643]
{rank 0/100} MD step = 465400 step time: 00:00:00.018179 Performance: 506.535 ns/day 0.047 hours/ns 29.313 steps/s 2023-02-20 05:51:45,554 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 60.64 -33510 6646.2 -40156 -40156 15.057 8.2722 -0.44046 7.9754e+05 2023-02-20 05:51:47,403 INFO [main.py:643]
{rank 0/100} MD step = 465500 step time: 00:00:00.018095 Performance: 506.541 ns/day 0.047 hours/ns 29.314 steps/s 2023-02-20 05:51:48,801 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 60.056 -33474 6582.3 -40056 -40056 15.062 8.2743 -0.44025 7.9775e+05 2023-02-20 05:51:50,762 INFO [main.py:643]
{rank 0/100} MD step = 465600 step time: 00:00:00.019942 Performance: 506.543 ns/day 0.047 hours/ns 29.314 steps/s 2023-02-20 05:51:52,076 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 59.899 -33516 6565 -40081 -40081 15.067 8.2763 -0.44201 7.9792e+05 2023-02-20 05:51:54,053 INFO [main.py:643]
{rank 0/100} MD step = 465700 step time: 00:00:00.018040 Performance: 506.547 ns/day 0.047 hours/ns 29.314 steps/s 2023-02-20 05:51:55,391 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 60.246 -33491 6603.1 -40094 -40094 15.074 8.2777 -0.44202 7.9809e+05 2023-02-20 05:51:57,325 INFO [main.py:643]
{rank 0/100} MD step = 465800 step time: 00:00:00.017973 Performance: 506.551 ns/day 0.047 hours/ns 29.314 steps/s 2023-02-20 05:51:58,946 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 59.669 -33527 6539.8 -40066 -40066 15.079 8.2798 -0.44138 7.9825e+05 2023-02-20 05:52:00,818 INFO [main.py:643]
{rank 0/100} MD step = 465900 step time: 00:00:00.018101 Performance: 506.549 ns/day 0.047 hours/ns 29.314 steps/s 2023-02-20 05:52:02,570 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 60.227 -33435 6600.9 -40035 -40035 15.083 8.2813 -0.44222 7.9844e+05 2023-02-20 05:52:04,735 INFO [main.py:643]
{rank 0/100} MD step = 466000 step time: 00:00:00.018114 Performance: 506.533 ns/day 0.047 hours/ns 29.313 steps/s 2023-02-20 05:52:06,320 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 60.418 -33619 6621.9 -40241 -40241 15.088 8.2822 -0.44385 7.986e+05 2023-02-20 05:52:08,227 INFO [main.py:643]
{rank 0/100} MD step = 466100 step time: 00:00:00.018058 Performance: 506.530 ns/day 0.047 hours/ns 29.313 steps/s 2023-02-20 05:52:09,733 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 60.107 -33556 6587.8 -40144 -40144 15.094 8.2843 -0.44494 7.988e+05 2023-02-20 05:52:11,548 INFO [main.py:643]
{rank 0/100} MD step = 466200 step time: 00:00:00.018000 Performance: 506.533 ns/day 0.047 hours/ns 29.313 steps/s 2023-02-20 05:52:12,912 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 60.371 -33488 6616.7 -40105 -40105 15.098 8.2848 -0.44582 7.9899e+05 2023-02-20 05:52:14,741 INFO [main.py:643]
{rank 0/100} MD step = 466300 step time: 00:00:00.018192 Performance: 506.540 ns/day 0.047 hours/ns 29.314 steps/s 2023-02-20 05:52:16,062 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 466300 93260 59.218 -33516 6490.4 -40006 -40006 15.103 8.2857 -0.44537 7.9918e+05 2023-02-20 05:52:18,036 INFO [main.py:643]
{rank 0/100} MD step = 466400 step time: 00:00:00.017973 Performance: 506.543 ns/day 0.047 hours/ns 29.314 steps/s 2023-02-20 05:52:19,514 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 60.123 -33519 6589.5 -40109 -40109 15.107 8.2868 -0.44643 7.9932e+05 2023-02-20 05:52:21,378 INFO [main.py:643]
{rank 0/100} MD step = 466500 step time: 00:00:00.018213 Performance: 506.546 ns/day 0.047 hours/ns 29.314 steps/s 2023-02-20 05:52:22,594 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 59.838 -33603 6558.4 -40162 -40162 15.112 8.2864 -0.44568 7.995e+05 2023-02-20 05:52:24,515 INFO [main.py:643]
{rank 0/100} MD step = 466600 step time: 00:00:00.017829 Performance: 506.554 ns/day 0.047 hours/ns 29.314 steps/s 2023-02-20 05:52:25,814 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 59.95 -33694 6570.5 -40265 -40265 15.117 8.2885 -0.44734 7.9963e+05 2023-02-20 05:52:27,714 INFO [main.py:643]
{rank 0/100} MD step = 466700 step time: 00:00:00.018099 Performance: 506.561 ns/day 0.047 hours/ns 29.315 steps/s 2023-02-20 05:52:28,970 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 59.757 -33518 6549.4 -40068 -40068 15.121 8.2911 -0.44957 7.9981e+05 2023-02-20 05:52:30,835 INFO [main.py:643]
{rank 0/100} MD step = 466800 step time: 00:00:00.018046 Performance: 506.570 ns/day 0.047 hours/ns 29.315 steps/s 2023-02-20 05:52:32,238 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 59.857 -33537 6560.4 -40098 -40098 15.126 8.2934 -0.45081 7.9996e+05 2023-02-20 05:52:34,125 INFO [main.py:643]
{rank 0/100} MD step = 466900 step time: 00:00:00.018047 Performance: 506.574 ns/day 0.047 hours/ns 29.316 steps/s 2023-02-20 05:52:35,356 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 59.943 -33661 6569.8 -40231 -40231 15.131 8.2942 -0.45029 8.0012e+05 2023-02-20 05:52:37,281 INFO [main.py:643]
{rank 0/100} MD step = 467000 step time: 00:00:00.018097 Performance: 506.582 ns/day 0.047 hours/ns 29.316 steps/s 2023-02-20 05:52:38,497 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 59.534 -33617 6524.9 -40142 -40142 15.134 8.2952 -0.44934 8.0031e+05 2023-02-20 05:52:40,443 INFO [main.py:643]
{rank 0/100} MD step = 467100 step time: 00:00:00.018166 Performance: 506.590 ns/day 0.047 hours/ns 29.317 steps/s 2023-02-20 05:52:41,629 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 60.755 -33449 6658.8 -40108 -40108 15.139 8.297 -0.4505 8.0048e+05 2023-02-20 05:52:43,608 INFO [main.py:643]
{rank 0/100} MD step = 467200 step time: 00:00:00.018059 Performance: 506.598 ns/day 0.047 hours/ns 29.317 steps/s 2023-02-20 05:52:44,874 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 59.832 -33573 6557.7 -40130 -40130 15.144 8.2986 -0.4526 8.0066e+05 2023-02-20 05:52:46,758 INFO [main.py:643]
{rank 0/100} MD step = 467300 step time: 00:00:00.018251 Performance: 506.606 ns/day 0.047 hours/ns 29.318 steps/s 2023-02-20 05:52:48,030 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 59.665 -33647 6539.3 -40186 -40186 15.149 8.3017 -0.45275 8.0082e+05 2023-02-20 05:52:49,948 INFO [main.py:643]
{rank 0/100} MD step = 467400 step time: 00:00:00.018001 Performance: 506.613 ns/day 0.047 hours/ns 29.318 steps/s 2023-02-20 05:52:51,284 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 59.221 -33668 6490.7 -40159 -40159 15.154 8.3026 -0.45107 8.0101e+05 2023-02-20 05:52:53,194 INFO [main.py:643]
{rank 0/100} MD step = 467500 step time: 00:00:00.019593 Performance: 506.619 ns/day 0.047 hours/ns 29.318 steps/s 2023-02-20 05:52:54,487 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 58.7 -33696 6433.6 -40130 -40130 15.159 8.3045 -0.45079 8.012e+05 2023-02-20 05:52:56,346 INFO [main.py:643]
{rank 0/100} MD step = 467600 step time: 00:00:00.017981 Performance: 506.627 ns/day 0.047 hours/ns 29.319 steps/s 2023-02-20 05:52:57,565 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 58.785 -33574 6443 -40017 -40017 15.164 8.3068 -0.45065 8.014e+05 2023-02-20 05:52:59,589 INFO [main.py:643]
{rank 0/100} MD step = 467700 step time: 00:00:00.018309 Performance: 506.632 ns/day 0.047 hours/ns 29.319 steps/s 2023-02-20 05:53:01,018 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 60.754 -33518 6658.7 -40177 -40177 15.17 8.309 -0.45157 8.0153e+05 2023-02-20 05:53:02,887 INFO [main.py:643]
{rank 0/100} MD step = 467800 step time: 00:00:00.018753 Performance: 506.636 ns/day 0.047 hours/ns 29.319 steps/s 2023-02-20 05:53:04,161 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 60.359 -33467 6615.4 -40082 -40082 15.177 8.3116 -0.45542 8.0172e+05 2023-02-20 05:53:06,081 INFO [main.py:643]
{rank 0/100} MD step = 467900 step time: 00:00:00.017967 Performance: 506.643 ns/day 0.047 hours/ns 29.320 steps/s 2023-02-20 05:53:07,364 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 60.182 -33492 6596 -40088 -40088 15.183 8.3137 -0.45599 8.0188e+05 2023-02-20 05:53:09,269 INFO [main.py:643]
{rank 0/100} MD step = 468000 step time: 00:00:00.018096 Performance: 506.650 ns/day 0.047 hours/ns 29.320 steps/s 2023-02-20 05:53:10,460 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 60.324 -33574 6611.6 -40185 -40185 15.189 8.3153 -0.45687 8.0203e+05 2023-02-20 05:53:12,444 INFO [main.py:643]
{rank 0/100} MD step = 468100 step time: 00:00:00.018487 Performance: 506.657 ns/day 0.047 hours/ns 29.320 steps/s 2023-02-20 05:53:13,726 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 60.314 -33497 6610.5 -40107 -40107 15.194 8.3153 -0.4577 8.0222e+05 2023-02-20 05:53:15,584 INFO [main.py:643]
{rank 0/100} MD step = 468200 step time: 00:00:00.018215 Performance: 506.666 ns/day 0.047 hours/ns 29.321 steps/s 2023-02-20 05:53:16,795 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 60.027 -33568 6579 -40147 -40147 15.201 8.3162 -0.45751 8.0239e+05 2023-02-20 05:53:18,734 INFO [main.py:643]
{rank 0/100} MD step = 468300 step time: 00:00:00.018219 Performance: 506.674 ns/day 0.047 hours/ns 29.321 steps/s 2023-02-20 05:53:20,055 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 60.244 -33545 6602.8 -40147 -40147 15.206 8.3167 -0.45786 8.0257e+05 2023-02-20 05:53:21,919 INFO [main.py:643]
{rank 0/100} MD step = 468400 step time: 00:00:00.018027 Performance: 506.681 ns/day 0.047 hours/ns 29.322 steps/s 2023-02-20 05:53:23,283 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 60.669 -33364 6649.4 -40014 -40014 15.21 8.3191 -0.45863 8.0274e+05 2023-02-20 05:53:25,128 INFO [main.py:643]
{rank 0/100} MD step = 468500 step time: 00:00:00.018159 Performance: 506.688 ns/day 0.047 hours/ns 29.322 steps/s 2023-02-20 05:53:26,427 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 59.751 -33577 6548.8 -40126 -40126 15.213 8.3205 -0.45914 8.029e+05 2023-02-20 05:53:28,340 INFO [main.py:643]
{rank 0/100} MD step = 468600 step time: 00:00:00.018467 Performance: 506.694 ns/day 0.047 hours/ns 29.323 steps/s 2023-02-20 05:53:29,729 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 468600 93720 59.121 -33688 6479.7 -40167 -40167 15.218 8.3233 -0.46126 8.0305e+05 2023-02-20 05:53:31,602 INFO [main.py:643]
{rank 0/100} MD step = 468700 step time: 00:00:00.018412 Performance: 506.699 ns/day 0.047 hours/ns 29.323 steps/s 2023-02-20 05:53:32,838 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 59.488 -33545 6519.9 -40065 -40065 15.222 8.3239 -0.45972 8.0326e+05 2023-02-20 05:53:34,852 INFO [main.py:643]
{rank 0/100} MD step = 468800 step time: 00:00:00.018299 Performance: 506.704 ns/day 0.047 hours/ns 29.323 steps/s 2023-02-20 05:53:36,251 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 60.808 -33469 6664.6 -40133 -40133 15.226 8.3249 -0.45945 8.0343e+05 2023-02-20 05:53:38,180 INFO [main.py:643]
{rank 0/100} MD step = 468900 step time: 00:00:00.018020 Performance: 506.706 ns/day 0.047 hours/ns 29.323 steps/s 2023-02-20 05:53:39,302 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 59.654 -33654 6538.2 -40192 -40192 15.231 8.3279 -0.46044 8.0359e+05 2023-02-20 05:53:41,340 INFO [main.py:643]
{rank 0/100} MD step = 469000 step time: 00:00:00.018152 Performance: 506.714 ns/day 0.047 hours/ns 29.324 steps/s 2023-02-20 05:53:42,648 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 58.824 -33600 6447.2 -40047 -40047 15.238 8.3293 -0.46184 8.0381e+05 2023-02-20 05:53:44,536 INFO [main.py:643]
{rank 0/100} MD step = 469100 step time: 00:00:00.018590 Performance: 506.721 ns/day 0.047 hours/ns 29.324 steps/s 2023-02-20 05:53:45,773 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 60.019 -33551 6578.2 -40129 -40129 15.243 8.3306 -0.46134 8.0399e+05 2023-02-20 05:53:47,806 INFO [main.py:643]
{rank 0/100} MD step = 469200 step time: 00:00:00.018169 Performance: 506.725 ns/day 0.047 hours/ns 29.324 steps/s 2023-02-20 05:53:49,071 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 59.88 -33644 6562.9 -40207 -40207 15.247 8.3289 -0.46178 8.0416e+05 2023-02-20 05:53:50,935 INFO [main.py:643]
{rank 0/100} MD step = 469300 step time: 00:00:00.018244 Performance: 506.734 ns/day 0.047 hours/ns 29.325 steps/s 2023-02-20 05:53:52,189 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 59.696 -33527 6542.8 -40070 -40070 15.252 8.3318 -0.46224 8.0435e+05 2023-02-20 05:53:54,098 INFO [main.py:643]
{rank 0/100} MD step = 469400 step time: 00:00:00.017945 Performance: 506.742 ns/day 0.047 hours/ns 29.325 steps/s 2023-02-20 05:53:55,324 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 61.015 -33508 6687.3 -40195 -40195 15.257 8.3325 -0.46199 8.0448e+05 2023-02-20 05:53:57,231 INFO [main.py:643]
{rank 0/100} MD step = 469500 step time: 00:00:00.018562 Performance: 506.751 ns/day 0.047 hours/ns 29.326 steps/s 2023-02-20 05:53:58,325 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 59.874 -33638 6562.2 -40200 -40200 15.262 8.3336 -0.46204 8.0465e+05 2023-02-20 05:54:00,367 INFO [main.py:643]
{rank 0/100} MD step = 469600 step time: 00:00:00.018231 Performance: 506.760 ns/day 0.047 hours/ns 29.326 steps/s 2023-02-20 05:54:01,715 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 60.925 -33441 6677.5 -40118 -40118 15.267 8.3347 -0.46239 8.0481e+05 2023-02-20 05:54:03,530 INFO [main.py:643]
{rank 0/100} MD step = 469700 step time: 00:00:00.017941 Performance: 506.767 ns/day 0.047 hours/ns 29.327 steps/s 2023-02-20 05:54:04,765 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 60.237 -33521 6602 -40123 -40123 15.272 8.3359 -0.463 8.0502e+05 2023-02-20 05:54:06,721 INFO [main.py:643]
{rank 0/100} MD step = 469800 step time: 00:00:00.018514 Performance: 506.774 ns/day 0.047 hours/ns 29.327 steps/s 2023-02-20 05:54:07,937 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 59.54 -33606 6525.6 -40131 -40131 15.276 8.3374 -0.4617 8.0517e+05 2023-02-20 05:54:09,872 INFO [main.py:643]
{rank 0/100} MD step = 469900 step time: 00:00:00.017883 Performance: 506.783 ns/day 0.047 hours/ns 29.328 steps/s 2023-02-20 05:54:11,147 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 60.578 -33484 6639.4 -40123 -40123 15.282 8.3354 -0.46094 8.0538e+05 2023-02-20 05:54:13,037 INFO [main.py:643]
{rank 0/100} MD step = 470000 step time: 00:00:00.017952 Performance: 506.790 ns/day 0.047 hours/ns 29.328 steps/s 2023-02-20 05:54:14,375 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 60.189 -33551 6596.8 -40148 -40148 15.289 8.3368 -0.46096 8.0552e+05 2023-02-20 05:54:16,200 INFO [main.py:643]
{rank 0/100} MD step = 470100 step time: 00:00:00.018039 Performance: 506.798 ns/day 0.047 hours/ns 29.329 steps/s 2023-02-20 05:54:17,412 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 470100 94020 60.161 -33484 6593.7 -40078 -40078 15.294 8.3387 -0.46283 8.0572e+05 2023-02-20 05:54:19,348 INFO [main.py:643]
{rank 0/100} MD step = 470200 step time: 00:00:00.017985 Performance: 506.806 ns/day 0.047 hours/ns 29.329 steps/s 2023-02-20 05:54:20,734 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 60.228 -33510 6601 -40111 -40111 15.298 8.3411 -0.46214 8.0588e+05 2023-02-20 05:54:22,589 INFO [main.py:643]
{rank 0/100} MD step = 470300 step time: 00:00:00.018297 Performance: 506.812 ns/day 0.047 hours/ns 29.329 steps/s 2023-02-20 05:54:23,858 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 60.026 -33638 6578.9 -40217 -40217 15.303 8.343 -0.46167 8.0604e+05 2023-02-20 05:54:25,807 INFO [main.py:643]
{rank 0/100} MD step = 470400 step time: 00:00:00.017916 Performance: 506.818 ns/day 0.047 hours/ns 29.330 steps/s 2023-02-20 05:54:26,921 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 60.241 -33551 6602.5 -40153 -40153 15.305 8.3439 -0.46089 8.062e+05 2023-02-20 05:54:28,842 INFO [main.py:643]
{rank 0/100} MD step = 470500 step time: 00:00:00.018271 Performance: 506.830 ns/day 0.047 hours/ns 29.330 steps/s 2023-02-20 05:54:30,251 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 60.013 -33452 6577.5 -40030 -40030 15.311 8.3458 -0.4625 8.0638e+05 2023-02-20 05:54:32,115 INFO [main.py:643]
{rank 0/100} MD step = 470600 step time: 00:00:00.018044 Performance: 506.834 ns/day 0.047 hours/ns 29.331 steps/s 2023-02-20 05:54:33,355 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 59.71 -33521 6544.3 -40066 -40066 15.315 8.3462 -0.46082 8.0655e+05 2023-02-20 05:54:35,338 INFO [main.py:643]
{rank 0/100} MD step = 470700 step time: 00:00:00.018115 Performance: 506.840 ns/day 0.047 hours/ns 29.331 steps/s 2023-02-20 05:54:36,554 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 470700 94140 60.161 -33489 6593.7 -40083 -40083 15.32 8.3477 -0.46205 8.0671e+05 2023-02-20 05:54:38,554 INFO [main.py:643]
{rank 0/100} MD step = 470800 step time: 00:00:00.018025 Performance: 506.846 ns/day 0.047 hours/ns 29.331 steps/s 2023-02-20 05:54:39,982 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 60.036 -33685 6580 -40265 -40265 15.326 8.3487 -0.46222 8.0683e+05 2023-02-20 05:54:41,815 INFO [main.py:643]
{rank 0/100} MD step = 470900 step time: 00:00:00.018124 Performance: 506.851 ns/day 0.047 hours/ns 29.332 steps/s 2023-02-20 05:54:43,113 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 60 -33537 6576 -40113 -40113 15.331 8.3515 -0.46189 8.0702e+05 2023-02-20 05:54:44,995 INFO [main.py:643]
{rank 0/100} MD step = 471000 step time: 00:00:00.017883 Performance: 506.858 ns/day 0.047 hours/ns 29.332 steps/s 2023-02-20 05:54:46,259 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 60.066 -33500 6583.3 -40083 -40083 15.337 8.3527 -0.46203 8.0718e+05 2023-02-20 05:54:48,197 INFO [main.py:643]
{rank 0/100} MD step = 471100 step time: 00:00:00.017995 Performance: 506.864 ns/day 0.047 hours/ns 29.332 steps/s 2023-02-20 05:54:49,570 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 59.501 -33561 6521.4 -40082 -40082 15.341 8.3545 -0.46107 8.0736e+05 2023-02-20 05:54:51,479 INFO [main.py:643]
{rank 0/100} MD step = 471200 step time: 00:00:00.018137 Performance: 506.868 ns/day 0.047 hours/ns 29.333 steps/s 2023-02-20 05:54:53,052 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 60.431 -33590 6623.3 -40214 -40214 15.345 8.3556 -0.45977 8.0753e+05 2023-02-20 05:54:54,875 INFO [main.py:643]
{rank 0/100} MD step = 471300 step time: 00:00:00.018676 Performance: 506.869 ns/day 0.047 hours/ns 29.333 steps/s 2023-02-20 05:54:56,220 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 59.951 -33526 6570.7 -40096 -40096 15.348 8.357 -0.46212 8.0772e+05 2023-02-20 05:54:58,146 INFO [main.py:643]
{rank 0/100} MD step = 471400 step time: 00:00:00.018266 Performance: 506.873 ns/day 0.047 hours/ns 29.333 steps/s 2023-02-20 05:54:59,755 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 471400 94280 59.674 -33616 6540.4 -40156 -40156 15.352 8.3593 -0.46456 8.0789e+05 2023-02-20 05:55:01,698 INFO [main.py:643]
{rank 0/100} MD step = 471500 step time: 00:00:00.018155 Performance: 506.869 ns/day 0.047 hours/ns 29.333 steps/s 2023-02-20 05:55:02,773 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 471500 94300 58.927 -33663 6458.4 -40121 -40121 15.357 8.3591 -0.46584 8.0809e+05 2023-02-20 05:55:04,878 INFO [main.py:643]
{rank 0/100} MD step = 471600 step time: 00:00:00.018128 Performance: 506.876 ns/day 0.047 hours/ns 29.333 steps/s 2023-02-20 05:55:06,126 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 59.181 -33601 6486.3 -40088 -40088 15.363 8.3597 -0.46709 8.0828e+05 2023-02-20 05:55:08,124 INFO [main.py:643]
{rank 0/100} MD step = 471700 step time: 00:00:00.017893 Performance: 506.881 ns/day 0.047 hours/ns 29.333 steps/s 2023-02-20 05:55:09,418 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 60.086 -33583 6585.5 -40168 -40168 15.368 8.3616 -0.46829 8.0841e+05 2023-02-20 05:55:11,406 INFO [main.py:643]
{rank 0/100} MD step = 471800 step time: 00:00:00.018116 Performance: 506.885 ns/day 0.047 hours/ns 29.334 steps/s 2023-02-20 05:55:12,916 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 60.271 -33510 6605.7 -40116 -40116 15.373 8.3627 -0.46801 8.0861e+05 2023-02-20 05:55:14,861 INFO [main.py:643]
{rank 0/100} MD step = 471900 step time: 00:00:00.017862 Performance: 506.884 ns/day 0.047 hours/ns 29.334 steps/s 2023-02-20 05:55:16,101 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 59.543 -33585 6526 -40111 -40111 15.379 8.3635 -0.46877 8.0878e+05 2023-02-20 05:55:18,086 INFO [main.py:643]
{rank 0/100} MD step = 472000 step time: 00:00:00.017859 Performance: 506.889 ns/day 0.047 hours/ns 29.334 steps/s 2023-02-20 05:55:21,201 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 59.296 -33604 6499 -40103 -40103 15.384 8.3647 -0.46742 8.0895e+05 2023-02-20 05:55:23,033 INFO [main.py:643]
{rank 0/100} MD step = 472100 step time: 00:00:00.018452 Performance: 506.841 ns/day 0.047 hours/ns 29.331 steps/s 2023-02-20 05:55:24,346 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 472100 94420 59.906 -33476 6565.7 -40041 -40041 15.387 8.3661 -0.46818 8.0912e+05 2023-02-20 05:55:26,210 INFO [main.py:643]
{rank 0/100} MD step = 472200 step time: 00:00:00.018068 Performance: 506.848 ns/day 0.047 hours/ns 29.331 steps/s 2023-02-20 05:55:28,374 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 59.498 -33714 6521 -40235 -40235 15.39 8.3676 -0.46871 8.0928e+05 2023-02-20 05:55:30,260 INFO [main.py:643]
{rank 0/100} MD step = 472300 step time: 00:00:00.018309 Performance: 506.828 ns/day 0.047 hours/ns 29.330 steps/s 2023-02-20 05:55:31,420 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 60.904 -33378 6675.2 -40054 -40054 15.394 8.3675 -0.46923 8.0948e+05 2023-02-20 05:55:33,570 INFO [main.py:643]
{rank 0/100} MD step = 472400 step time: 00:00:00.018192 Performance: 506.831 ns/day 0.047 hours/ns 29.331 steps/s 2023-02-20 05:55:34,708 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 472400 94480 59.732 -33624 6546.8 -40171 -40171 15.399 8.3695 -0.46905 8.096e+05 2023-02-20 05:55:36,759 INFO [main.py:643]
{rank 0/100} MD step = 472500 step time: 00:00:00.018107 Performance: 506.838 ns/day 0.047 hours/ns 29.331 steps/s 2023-02-20 05:55:45,892 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 59.519 -33617 6523.3 -40140 -40140 15.403 8.3709 -0.46781 8.098e+05 2023-02-20 05:55:47,797 INFO [main.py:643]
{rank 0/100} MD step = 472600 step time: 00:00:00.018078 Performance: 506.598 ns/day 0.047 hours/ns 29.317 steps/s 2023-02-20 05:55:49,209 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 60.162 -33446 6593.8 -40040 -40040 15.407 8.373 -0.46889 8.0997e+05 2023-02-20 05:55:51,047 INFO [main.py:643]
{rank 0/100} MD step = 472700 step time: 00:00:00.018312 Performance: 506.603 ns/day 0.047 hours/ns 29.317 steps/s 2023-02-20 05:55:53,972 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 59.982 -33599 6574.1 -40173 -40173 15.41 8.3746 -0.46915 8.1011e+05 2023-02-20 05:55:55,818 INFO [main.py:643]
{rank 0/100} MD step = 472800 step time: 00:00:00.018058 Performance: 506.561 ns/day 0.047 hours/ns 29.315 steps/s 2023-02-20 05:55:57,240 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 60.187 -33544 6596.6 -40141 -40141 15.415 8.3753 -0.47005 8.1031e+05 2023-02-20 05:55:59,197 INFO [main.py:643]
{rank 0/100} MD step = 472900 step time: 00:00:00.020439 Performance: 506.562 ns/day 0.047 hours/ns 29.315 steps/s 2023-02-20 05:56:00,553 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 60.241 -33511 6602.4 -40113 -40113 15.419 8.3754 -0.4698 8.1046e+05 2023-02-20 05:56:02,409 INFO [main.py:643]
{rank 0/100} MD step = 473000 step time: 00:00:00.018019 Performance: 506.568 ns/day 0.047 hours/ns 29.315 steps/s 2023-02-20 05:56:03,662 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 60.329 -33535 6612.1 -40147 -40147 15.425 8.3751 -0.46953 8.1065e+05 2023-02-20 05:56:06,598 INFO [main.py:643]
{rank 0/100} MD step = 473100 step time: 00:00:00.017939 Performance: 506.543 ns/day 0.047 hours/ns 29.314 steps/s 2023-02-20 05:56:08,429 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 59.788 -33649 6552.8 -40202 -40202 15.429 8.3735 -0.46831 8.108e+05 2023-02-20 05:56:10,452 INFO [main.py:643]
{rank 0/100} MD step = 473200 step time: 00:00:00.018276 Performance: 506.530 ns/day 0.047 hours/ns 29.313 steps/s 2023-02-20 05:56:11,530 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 59.93 -33578 6568.5 -40147 -40147 15.434 8.3756 -0.46833 8.1098e+05 2023-02-20 05:56:13,600 INFO [main.py:643]
{rank 0/100} MD step = 473300 step time: 00:00:00.018329 Performance: 506.538 ns/day 0.047 hours/ns 29.314 steps/s 2023-02-20 05:56:14,841 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 60.333 -33478 6612.5 -40091 -40091 15.438 8.3765 -0.46846 8.1119e+05 2023-02-20 05:56:16,704 INFO [main.py:643]
{rank 0/100} MD step = 473400 step time: 00:00:00.018032 Performance: 506.547 ns/day 0.047 hours/ns 29.314 steps/s 2023-02-20 05:56:18,046 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 473400 94680 59.669 -33611 6539.8 -40151 -40151 15.441 8.3777 -0.46795 8.1133e+05 2023-02-20 05:56:19,873 INFO [main.py:643]
{rank 0/100} MD step = 473500 step time: 00:00:00.018051 Performance: 506.555 ns/day 0.047 hours/ns 29.315 steps/s 2023-02-20 05:56:21,240 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 60.382 -33595 6617.9 -40213 -40213 15.446 8.3799 -0.46745 8.1148e+05 2023-02-20 05:56:23,188 INFO [main.py:643]
{rank 0/100} MD step = 473600 step time: 00:00:00.018196 Performance: 506.558 ns/day 0.047 hours/ns 29.315 steps/s 2023-02-20 05:56:24,533 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 59.637 -33577 6536.3 -40114 -40114 15.451 8.3815 -0.46832 8.1168e+05 2023-02-20 05:56:26,404 INFO [main.py:643]
{rank 0/100} MD step = 473700 step time: 00:00:00.017926 Performance: 506.564 ns/day 0.047 hours/ns 29.315 steps/s 2023-02-20 05:56:27,726 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 59.65 -33555 6537.8 -40093 -40093 15.455 8.3821 -0.46738 8.1185e+05 2023-02-20 05:56:29,646 INFO [main.py:643]
{rank 0/100} MD step = 473800 step time: 00:00:00.018643 Performance: 506.570 ns/day 0.047 hours/ns 29.315 steps/s 2023-02-20 05:56:30,980 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 60.591 -33482 6640.8 -40123 -40123 15.46 8.3834 -0.46845 8.1199e+05 2023-02-20 05:56:32,938 INFO [main.py:643]
{rank 0/100} MD step = 473900 step time: 00:00:00.018082 Performance: 506.573 ns/day 0.047 hours/ns 29.316 steps/s 2023-02-20 05:56:34,177 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 58.971 -33617 6463.3 -40080 -40080 15.464 8.3867 -0.46878 8.1219e+05 2023-02-20 05:56:36,122 INFO [main.py:643]
{rank 0/100} MD step = 474000 step time: 00:00:00.017972 Performance: 506.580 ns/day 0.047 hours/ns 29.316 steps/s 2023-02-20 05:56:37,397 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 59.807 -33597 6554.9 -40152 -40152 15.471 8.3875 -0.4681 8.1233e+05 2023-02-20 05:56:39,400 INFO [main.py:643]
{rank 0/100} MD step = 474100 step time: 00:00:00.018009 Performance: 506.585 ns/day 0.047 hours/ns 29.316 steps/s 2023-02-20 05:56:40,788 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 474100 94820 60.181 -33546 6595.9 -40142 -40142 15.475 8.3898 -0.46856 8.1249e+05 2023-02-20 05:56:42,626 INFO [main.py:643]
{rank 0/100} MD step = 474200 step time: 00:00:00.018139 Performance: 506.590 ns/day 0.047 hours/ns 29.317 steps/s 2023-02-20 05:56:43,963 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 59.722 -33552 6545.7 -40097 -40097 15.478 8.3917 -0.46841 8.1262e+05 2023-02-20 05:56:45,809 INFO [main.py:643]
{rank 0/100} MD step = 474300 step time: 00:00:00.018032 Performance: 506.597 ns/day 0.047 hours/ns 29.317 steps/s 2023-02-20 05:56:46,971 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 59.366 -33665 6506.5 -40171 -40171 15.481 8.3929 -0.46925 8.1282e+05 2023-02-20 05:56:49,021 INFO [main.py:643]
{rank 0/100} MD step = 474400 step time: 00:00:00.018081 Performance: 506.604 ns/day 0.047 hours/ns 29.317 steps/s 2023-02-20 05:56:50,294 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 474400 94880 60.496 -33463 6630.4 -40094 -40094 15.487 8.3958 -0.46965 8.13e+05 2023-02-20 05:56:52,162 INFO [main.py:643]
{rank 0/100} MD step = 474500 step time: 00:00:00.018132 Performance: 506.612 ns/day 0.047 hours/ns 29.318 steps/s 2023-02-20 05:56:53,495 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 60.336 -33563 6612.9 -40176 -40176 15.49 8.3991 -0.46932 8.1315e+05 2023-02-20 05:56:55,349 INFO [main.py:643]
{rank 0/100} MD step = 474600 step time: 00:00:00.018011 Performance: 506.619 ns/day 0.047 hours/ns 29.318 steps/s 2023-02-20 05:56:56,575 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 59.496 -33654 6520.8 -40175 -40175 15.495 8.4009 -0.46966 8.1331e+05 2023-02-20 05:56:58,516 INFO [main.py:643]
{rank 0/100} MD step = 474700 step time: 00:00:00.019479 Performance: 506.627 ns/day 0.047 hours/ns 29.319 steps/s 2023-02-20 05:56:59,776 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 474700 94940 59.978 -33605 6573.7 -40178 -40178 15.504 8.4031 -0.47002 8.1348e+05 2023-02-20 05:57:01,703 INFO [main.py:643]
{rank 0/100} MD step = 474800 step time: 00:00:00.017926 Performance: 506.634 ns/day 0.047 hours/ns 29.319 steps/s 2023-02-20 05:57:03,009 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 60.045 -33473 6581 -40054 -40054 15.507 8.4065 -0.46935 8.1367e+05 2023-02-20 05:57:04,966 INFO [main.py:643]
{rank 0/100} MD step = 474900 step time: 00:00:00.018024 Performance: 506.638 ns/day 0.047 hours/ns 29.319 steps/s 2023-02-20 05:57:06,311 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 474900 94980 60.219 -33446 6600 -40046 -40046 15.51 8.409 -0.46955 8.1386e+05 2023-02-20 05:57:08,178 INFO [main.py:643]
{rank 0/100} MD step = 475000 step time: 00:00:00.018090 Performance: 506.645 ns/day 0.047 hours/ns 29.320 steps/s 2023-02-20 05:57:10,693 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 475000 95000 58.633 -33578 6426.2 -40005 -40005 15.514 8.4112 -0.46938 8.1403e+05 2023-02-20 05:57:12,513 INFO [main.py:643]
{rank 0/100} MD step = 475100 step time: 00:00:00.018898 Performance: 506.616 ns/day 0.047 hours/ns 29.318 steps/s 2023-02-20 05:57:13,860 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 60.316 -33622 6610.7 -40233 -40233 15.517 8.4123 -0.47035 8.1416e+05 2023-02-20 05:57:15,728 INFO [main.py:643]
{rank 0/100} MD step = 475200 step time: 00:00:00.018397 Performance: 506.622 ns/day 0.047 hours/ns 29.318 steps/s 2023-02-20 05:57:17,082 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 59.82 -33531 6556.3 -40088 -40088 15.52 8.4129 -0.47237 8.1435e+05 2023-02-20 05:57:18,993 INFO [main.py:643]
{rank 0/100} MD step = 475300 step time: 00:00:00.018140 Performance: 506.626 ns/day 0.047 hours/ns 29.319 steps/s 2023-02-20 05:57:20,388 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 60.868 -33446 6671.2 -40118 -40118 15.524 8.4179 -0.47459 8.1451e+05 2023-02-20 05:57:22,208 INFO [main.py:643]
{rank 0/100} MD step = 475400 step time: 00:00:00.018721 Performance: 506.633 ns/day 0.047 hours/ns 29.319 steps/s 2023-02-20 05:57:22,997 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 60.159 -33405 6593.5 -39999 -39999 15.528 8.4182 -0.47357 8.1472e+05 2023-02-20 05:57:25,358 INFO [main.py:643]
{rank 0/100} MD step = 475500 step time: 00:00:00.018039 Performance: 506.641 ns/day 0.047 hours/ns 29.319 steps/s 2023-02-20 05:57:26,667 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 475500 95100 60.007 -33511 6576.8 -40087 -40087 15.531 8.42 -0.47603 8.1485e+05 2023-02-20 05:57:28,509 INFO [main.py:643]
{rank 0/100} MD step = 475600 step time: 00:00:00.018201 Performance: 506.649 ns/day 0.047 hours/ns 29.320 steps/s 2023-02-20 05:57:30,086 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 475600 95120 60.632 -33528 6645.3 -40173 -40173 15.537 8.4214 -0.4761 8.1501e+05 2023-02-20 05:57:31,920 INFO [main.py:643]
{rank 0/100} MD step = 475700 step time: 00:00:00.018095 Performance: 506.649 ns/day 0.047 hours/ns 29.320 steps/s 2023-02-20 05:57:33,297 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 475700 95140 59.963 -33555 6572 -40127 -40127 15.542 8.423 -0.47532 8.1517e+05 2023-02-20 05:57:35,159 INFO [main.py:643]
{rank 0/100} MD step = 475800 step time: 00:00:00.018228 Performance: 506.654 ns/day 0.047 hours/ns 29.320 steps/s 2023-02-20 05:57:35,965 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 60.22 -33556 6600.2 -40156 -40156 15.548 8.4227 -0.47542 8.1535e+05 2023-02-20 05:57:38,350 INFO [main.py:643]
{rank 0/100} MD step = 475900 step time: 00:00:00.018052 Performance: 506.661 ns/day 0.047 hours/ns 29.321 steps/s 2023-02-20 05:57:40,304 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 475900 95180 59.665 -33606 6539.4 -40146 -40146 15.552 8.4227 -0.47497 8.155e+05 2023-02-20 05:57:42,168 INFO [main.py:643]
{rank 0/100} MD step = 476000 step time: 00:00:00.017994 Performance: 506.648 ns/day 0.047 hours/ns 29.320 steps/s 2023-02-20 05:57:43,651 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 59.722 -33620 6545.6 -40166 -40166 15.558 8.4226 -0.47401 8.1567e+05 2023-02-20 05:57:45,734 INFO [main.py:643]
{rank 0/100} MD step = 476100 step time: 00:00:00.018195 Performance: 506.643 ns/day 0.047 hours/ns 29.320 steps/s 2023-02-20 05:57:46,975 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 60.101 -33492 6587.1 -40079 -40079 15.563 8.4234 -0.47363 8.1583e+05 2023-02-20 05:57:48,883 INFO [main.py:643]
{rank 0/100} MD step = 476200 step time: 00:00:00.018994 Performance: 506.652 ns/day 0.047 hours/ns 29.320 steps/s 2023-02-20 05:57:50,166 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 59.568 -33560 6528.7 -40089 -40089 15.57 8.4238 -0.47296 8.1601e+05 2023-02-20 05:57:52,059 INFO [main.py:643]
{rank 0/100} MD step = 476300 step time: 00:00:00.018142 Performance: 506.659 ns/day 0.047 hours/ns 29.321 steps/s 2023-02-20 05:57:53,411 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 60.856 -33540 6669.9 -40209 -40209 15.575 8.4255 -0.47401 8.1615e+05 2023-02-20 05:57:55,218 INFO [main.py:643]
{rank 0/100} MD step = 476400 step time: 00:00:00.018052 Performance: 506.667 ns/day 0.047 hours/ns 29.321 steps/s 2023-02-20 05:57:56,124 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 60.012 -33654 6577.4 -40232 -40232 15.58 8.4271 -0.47469 8.1633e+05 2023-02-20 05:57:58,511 INFO [main.py:643]
{rank 0/100} MD step = 476500 step time: 00:00:00.018058 Performance: 506.670 ns/day 0.047 hours/ns 29.321 steps/s 2023-02-20 05:57:59,761 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 59.589 -33576 6531 -40107 -40107 15.585 8.4285 -0.47493 8.1655e+05 2023-02-20 05:58:01,675 INFO [main.py:643]
{rank 0/100} MD step = 476600 step time: 00:00:00.018359 Performance: 506.678 ns/day 0.047 hours/ns 29.322 steps/s 2023-02-20 05:58:02,877 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 59.39 -33560 6509.2 -40069 -40069 15.59 8.4309 -0.47357 8.1673e+05 2023-02-20 05:58:04,829 INFO [main.py:643]
{rank 0/100} MD step = 476700 step time: 00:00:00.018113 Performance: 506.686 ns/day 0.047 hours/ns 29.322 steps/s 2023-02-20 05:58:06,128 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 60.73 -33596 6656.1 -40252 -40252 15.595 8.432 -0.47341 8.1683e+05 2023-02-20 05:58:08,089 INFO [main.py:643]
{rank 0/100} MD step = 476800 step time: 00:00:00.018110 Performance: 506.691 ns/day 0.047 hours/ns 29.322 steps/s 2023-02-20 05:58:09,439 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 60.549 -33433 6636.2 -40069 -40069 15.601 8.4337 -0.47319 8.1705e+05 2023-02-20 05:58:11,313 INFO [main.py:643]
{rank 0/100} MD step = 476900 step time: 00:00:00.018077 Performance: 506.697 ns/day 0.047 hours/ns 29.323 steps/s 2023-02-20 05:58:12,609 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 59.763 -33574 6550 -40124 -40124 15.604 8.4342 -0.47356 8.172e+05 2023-02-20 05:58:14,464 INFO [main.py:643]
{rank 0/100} MD step = 477000 step time: 00:00:00.017978 Performance: 506.705 ns/day 0.047 hours/ns 29.323 steps/s 2023-02-20 05:58:15,767 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 60.348 -33440 6614.2 -40054 -40054 15.607 8.4361 -0.47395 8.174e+05 2023-02-20 05:58:17,629 INFO [main.py:643]
{rank 0/100} MD step = 477100 step time: 00:00:00.017953 Performance: 506.712 ns/day 0.047 hours/ns 29.324 steps/s 2023-02-20 05:58:18,995 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 60.068 -33551 6583.5 -40134 -40134 15.612 8.437 -0.47576 8.1752e+05 2023-02-20 05:58:20,836 INFO [main.py:643]
{rank 0/100} MD step = 477200 step time: 00:00:00.018370 Performance: 506.719 ns/day 0.047 hours/ns 29.324 steps/s 2023-02-20 05:58:22,333 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 59.908 -33606 6566 -40172 -40172 15.617 8.4385 -0.4762 8.177e+05 2023-02-20 05:58:24,137 INFO [main.py:643]
{rank 0/100} MD step = 477300 step time: 00:00:00.018157 Performance: 506.722 ns/day 0.047 hours/ns 29.324 steps/s 2023-02-20 05:58:25,453 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 60.99 -33462 6684.5 -40146 -40146 15.621 8.44 -0.47575 8.1787e+05 2023-02-20 05:58:27,314 INFO [main.py:643]
{rank 0/100} MD step = 477400 step time: 00:00:00.017958 Performance: 506.729 ns/day 0.047 hours/ns 29.325 steps/s 2023-02-20 05:58:28,762 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 59.082 -33530 6475.5 -40005 -40005 15.626 8.4409 -0.47421 8.1805e+05 2023-02-20 05:58:30,674 INFO [main.py:643]
{rank 0/100} MD step = 477500 step time: 00:00:00.018175 Performance: 506.731 ns/day 0.047 hours/ns 29.325 steps/s 2023-02-20 05:58:32,016 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 59.455 -33654 6516.3 -40170 -40170 15.632 8.4409 -0.47467 8.1818e+05 2023-02-20 05:58:33,837 INFO [main.py:643]
{rank 0/100} MD step = 477600 step time: 00:00:00.018084 Performance: 506.739 ns/day 0.047 hours/ns 29.325 steps/s 2023-02-20 05:58:35,108 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 60.819 -33452 6665.9 -40118 -40118 15.637 8.4426 -0.47451 8.184e+05 2023-02-20 05:58:37,000 INFO [main.py:643]
{rank 0/100} MD step = 477700 step time: 00:00:00.017945 Performance: 506.746 ns/day 0.047 hours/ns 29.326 steps/s 2023-02-20 05:58:38,312 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 60.587 -33481 6640.4 -40122 -40122 15.642 8.4438 -0.4757 8.1857e+05 2023-02-20 05:58:40,245 INFO [main.py:643]
{rank 0/100} MD step = 477800 step time: 00:00:00.018651 Performance: 506.751 ns/day 0.047 hours/ns 29.326 steps/s 2023-02-20 05:58:41,797 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 477800 95560 60.689 -33404 6651.5 -40055 -40055 15.648 8.4446 -0.47717 8.1875e+05 2023-02-20 05:58:43,639 INFO [main.py:643]
{rank 0/100} MD step = 477900 step time: 00:00:00.018324 Performance: 506.752 ns/day 0.047 hours/ns 29.326 steps/s 2023-02-20 05:58:44,936 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 60.382 -33568 6618 -40186 -40186 15.653 8.4459 -0.47714 8.1891e+05 2023-02-20 05:58:46,809 INFO [main.py:643]
{rank 0/100} MD step = 478000 step time: 00:00:00.018100 Performance: 506.759 ns/day 0.047 hours/ns 29.326 steps/s 2023-02-20 05:58:48,160 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 59.789 -33566 6552.9 -40119 -40119 15.658 8.4461 -0.4778 8.1909e+05 2023-02-20 05:58:50,019 INFO [main.py:643]
{rank 0/100} MD step = 478100 step time: 00:00:00.018048 Performance: 506.766 ns/day 0.047 hours/ns 29.327 steps/s 2023-02-20 05:58:51,341 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 59.203 -33542 6488.8 -40031 -40031 15.663 8.448 -0.47832 8.1929e+05 2023-02-20 05:58:53,223 INFO [main.py:643]
{rank 0/100} MD step = 478200 step time: 00:00:00.018323 Performance: 506.772 ns/day 0.047 hours/ns 29.327 steps/s 2023-02-20 05:58:54,558 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 59.685 -33621 6541.5 -40162 -40162 15.667 8.4489 -0.47842 8.1944e+05 2023-02-20 05:58:56,385 INFO [main.py:643]
{rank 0/100} MD step = 478300 step time: 00:00:00.018361 Performance: 506.780 ns/day 0.047 hours/ns 29.328 steps/s 2023-02-20 05:58:57,698 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 60.594 -33601 6641.1 -40242 -40242 15.674 8.4492 -0.47911 8.196e+05 2023-02-20 05:58:59,563 INFO [main.py:643]
{rank 0/100} MD step = 478400 step time: 00:00:00.018029 Performance: 506.787 ns/day 0.047 hours/ns 29.328 steps/s 2023-02-20 05:59:00,809 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 60.257 -33430 6604.2 -40034 -40034 15.679 8.4499 -0.48075 8.1983e+05 2023-02-20 05:59:02,756 INFO [main.py:643]
{rank 0/100} MD step = 478500 step time: 00:00:00.018127 Performance: 506.794 ns/day 0.047 hours/ns 29.328 steps/s 2023-02-20 05:59:04,176 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 60.383 -33544 6618 -40162 -40162 15.682 8.4534 -0.48067 8.1998e+05 2023-02-20 05:59:06,027 INFO [main.py:643]
{rank 0/100} MD step = 478600 step time: 00:00:00.017948 Performance: 506.798 ns/day 0.047 hours/ns 29.329 steps/s 2023-02-20 05:59:07,211 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 59.516 -33728 6523.1 -40251 -40251 15.687 8.4534 -0.48014 8.2016e+05 2023-02-20 05:59:09,168 INFO [main.py:643]
{rank 0/100} MD step = 478700 step time: 00:00:00.018032 Performance: 506.806 ns/day 0.047 hours/ns 29.329 steps/s 2023-02-20 05:59:10,460 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 59.754 -33492 6549.1 -40041 -40041 15.691 8.4552 -0.48016 8.2035e+05 2023-02-20 05:59:12,362 INFO [main.py:643]
{rank 0/100} MD step = 478800 step time: 00:00:00.018315 Performance: 506.813 ns/day 0.047 hours/ns 29.329 steps/s 2023-02-20 05:59:13,611 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 60.293 -33554 6608.2 -40162 -40162 15.697 8.4571 -0.48147 8.2054e+05 2023-02-20 05:59:15,552 INFO [main.py:643]
{rank 0/100} MD step = 478900 step time: 00:00:00.018077 Performance: 506.820 ns/day 0.047 hours/ns 29.330 steps/s 2023-02-20 05:59:16,940 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 478900 95780 59.256 -33637 6494.5 -40132 -40132 15.7 8.4577 -0.48026 8.2069e+05 2023-02-20 05:59:18,849 INFO [main.py:643]
{rank 0/100} MD step = 479000 step time: 00:00:00.017974 Performance: 506.823 ns/day 0.047 hours/ns 29.330 steps/s 2023-02-20 05:59:20,180 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 60.61 -33566 6643 -40209 -40209 15.706 8.4586 -0.48133 8.2087e+05 2023-02-20 05:59:22,027 INFO [main.py:643]
{rank 0/100} MD step = 479100 step time: 00:00:00.018046 Performance: 506.830 ns/day 0.047 hours/ns 29.330 steps/s 2023-02-20 05:59:23,313 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 59.34 -33525 6503.7 -40029 -40029 15.71 8.4598 -0.48245 8.2104e+05 2023-02-20 05:59:25,220 INFO [main.py:643]
{rank 0/100} MD step = 479200 step time: 00:00:00.018181 Performance: 506.837 ns/day 0.047 hours/ns 29.331 steps/s 2023-02-20 05:59:26,605 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 60.684 -33444 6651.1 -40095 -40095 15.715 8.4621 -0.4824 8.2122e+05 2023-02-20 05:59:28,510 INFO [main.py:643]
{rank 0/100} MD step = 479300 step time: 00:00:00.018116 Performance: 506.841 ns/day 0.047 hours/ns 29.331 steps/s 2023-02-20 05:59:29,871 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 60.001 -33648 6576.2 -40224 -40224 15.718 8.4652 -0.48115 8.2135e+05 2023-02-20 05:59:31,733 INFO [main.py:643]
{rank 0/100} MD step = 479400 step time: 00:00:00.018098 Performance: 506.847 ns/day 0.047 hours/ns 29.331 steps/s 2023-02-20 05:59:32,910 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 60.676 -33616 6650.2 -40267 -40267 15.725 8.4666 -0.48339 8.2155e+05 2023-02-20 05:59:34,865 INFO [main.py:643]
{rank 0/100} MD step = 479500 step time: 00:00:00.017996 Performance: 506.855 ns/day 0.047 hours/ns 29.332 steps/s 2023-02-20 05:59:36,145 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 60.666 -33501 6649.1 -40150 -40150 15.73 8.4677 -0.48433 8.2172e+05 2023-02-20 05:59:38,053 INFO [main.py:643]
{rank 0/100} MD step = 479600 step time: 00:00:00.017781 Performance: 506.862 ns/day 0.047 hours/ns 29.332 steps/s 2023-02-20 05:59:39,390 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 59.897 -33503 6564.8 -40068 -40068 15.733 8.4681 -0.48551 8.2191e+05 2023-02-20 05:59:41,211 INFO [main.py:643]
{rank 0/100} MD step = 479700 step time: 00:00:00.018460 Performance: 506.870 ns/day 0.047 hours/ns 29.333 steps/s 2023-02-20 05:59:42,522 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 59.465 -33556 6517.5 -40073 -40073 15.737 8.4698 -0.48645 8.2212e+05 2023-02-20 05:59:44,460 INFO [main.py:643]
{rank 0/100} MD step = 479800 step time: 00:00:00.018203 Performance: 506.875 ns/day 0.047 hours/ns 29.333 steps/s 2023-02-20 05:59:45,734 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 60.158 -33532 6593.4 -40125 -40125 15.744 8.4717 -0.48517 8.2228e+05 2023-02-20 05:59:47,589 INFO [main.py:643]
{rank 0/100} MD step = 479900 step time: 00:00:00.018032 Performance: 506.883 ns/day 0.047 hours/ns 29.334 steps/s 2023-02-20 05:59:48,908 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 60.363 -33585 6615.9 -40201 -40201 15.746 8.4738 -0.48635 8.2246e+05 2023-02-20 05:59:50,727 INFO [main.py:643]
{rank 0/100} MD step = 480000 step time: 00:00:00.018003 Performance: 506.892 ns/day 0.047 hours/ns 29.334 steps/s 2023-02-20 05:59:52,072 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 59.924 -33501 6567.7 -40069 -40069 15.75 8.4742 -0.48731 8.2266e+05 2023-02-20 05:59:53,956 INFO [main.py:643]
{rank 0/100} MD step = 480100 step time: 00:00:00.018046 Performance: 506.897 ns/day 0.047 hours/ns 29.334 steps/s 2023-02-20 05:59:54,765 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 60.557 -33506 6637.1 -40144 -40144 15.755 8.4761 -0.48651 8.2278e+05 2023-02-20 05:59:57,093 INFO [main.py:643]
{rank 0/100} MD step = 480200 step time: 00:00:00.017921 Performance: 506.906 ns/day 0.047 hours/ns 29.335 steps/s 2023-02-20 05:59:58,390 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 480200 96040 59.523 -33561 6523.8 -40084 -40084 15.764 8.478 -0.48759 8.2296e+05 2023-02-20 06:00:00,228 INFO [main.py:643]
{rank 0/100} MD step = 480300 step time: 00:00:00.018079 Performance: 506.914 ns/day 0.047 hours/ns 29.335 steps/s 2023-02-20 06:00:01,484 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 60.129 -33610 6590.2 -40200 -40200 15.768 8.4799 -0.48804 8.231e+05 2023-02-20 06:00:03,390 INFO [main.py:643]
{rank 0/100} MD step = 480400 step time: 00:00:00.017944 Performance: 506.922 ns/day 0.047 hours/ns 29.336 steps/s 2023-02-20 06:00:04,708 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 59.419 -33599 6512.4 -40111 -40111 15.773 8.4807 -0.48736 8.2328e+05 2023-02-20 06:00:06,544 INFO [main.py:643]
{rank 0/100} MD step = 480500 step time: 00:00:00.018021 Performance: 506.930 ns/day 0.047 hours/ns 29.336 steps/s 2023-02-20 06:00:07,825 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 59.305 -33509 6499.9 -40009 -40009 15.778 8.4817 -0.48733 8.2349e+05 2023-02-20 06:00:09,731 INFO [main.py:643]
{rank 0/100} MD step = 480600 step time: 00:00:00.018255 Performance: 506.937 ns/day 0.047 hours/ns 29.337 steps/s 2023-02-20 06:00:10,966 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 59.3 -33680 6499.3 -40180 -40180 15.782 8.4826 -0.48843 8.2364e+05 2023-02-20 06:00:12,832 INFO [main.py:643]
{rank 0/100} MD step = 480700 step time: 00:00:00.017927 Performance: 506.946 ns/day 0.047 hours/ns 29.337 steps/s 2023-02-20 06:00:14,003 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 60.709 -33508 6653.8 -40162 -40162 15.785 8.4849 -0.48667 8.238e+05 2023-02-20 06:00:15,988 INFO [main.py:643]
{rank 0/100} MD step = 480800 step time: 00:00:00.018196 Performance: 506.954 ns/day 0.047 hours/ns 29.338 steps/s 2023-02-20 06:00:17,218 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 480800 96160 59.881 -33566 6563 -40129 -40129 15.791 8.4865 -0.48731 8.2399e+05 2023-02-20 06:00:19,148 INFO [main.py:643]
{rank 0/100} MD step = 480900 step time: 00:00:00.018093 Performance: 506.962 ns/day 0.047 hours/ns 29.338 steps/s 2023-02-20 06:00:20,441 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 59.407 -33642 6511.1 -40153 -40153 15.796 8.4903 -0.48746 8.2414e+05 2023-02-20 06:00:22,270 INFO [main.py:643]
{rank 0/100} MD step = 481000 step time: 00:00:00.017942 Performance: 506.971 ns/day 0.047 hours/ns 29.339 steps/s 2023-02-20 06:00:23,342 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 59.522 -33624 6523.7 -40148 -40148 15.803 8.4931 -0.48565 8.2434e+05 2023-02-20 06:00:25,372 INFO [main.py:643]
{rank 0/100} MD step = 481100 step time: 00:00:00.018542 Performance: 506.980 ns/day 0.047 hours/ns 29.339 steps/s 2023-02-20 06:00:26,616 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 481100 96220 59.918 -33551 6567.1 -40118 -40118 15.809 8.4962 -0.48456 8.245e+05 2023-02-20 06:00:28,541 INFO [main.py:643]
{rank 0/100} MD step = 481200 step time: 00:00:00.017893 Performance: 506.987 ns/day 0.047 hours/ns 29.340 steps/s 2023-02-20 06:00:29,923 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 59.593 -33552 6531.5 -40084 -40084 15.815 8.4985 -0.48547 8.2467e+05 2023-02-20 06:00:31,730 INFO [main.py:643]
{rank 0/100} MD step = 481300 step time: 00:00:00.018097 Performance: 506.994 ns/day 0.047 hours/ns 29.340 steps/s 2023-02-20 06:00:33,117 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 60.425 -33380 6622.6 -40003 -40003 15.821 8.5003 -0.48698 8.2486e+05 2023-02-20 06:00:34,951 INFO [main.py:643]
{rank 0/100} MD step = 481400 step time: 00:00:00.018098 Performance: 507.000 ns/day 0.047 hours/ns 29.340 steps/s 2023-02-20 06:00:36,186 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 60.294 -33478 6608.3 -40086 -40086 15.824 8.5017 -0.48849 8.2499e+05 2023-02-20 06:00:38,153 INFO [main.py:643]
{rank 0/100} MD step = 481500 step time: 00:00:00.018174 Performance: 507.006 ns/day 0.047 hours/ns 29.341 steps/s 2023-02-20 06:00:39,797 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 481500 96300 59.481 -33557 6519.2 -40077 -40077 15.828 8.5029 -0.48967 8.2519e+05 2023-02-20 06:00:41,601 INFO [main.py:643]
{rank 0/100} MD step = 481600 step time: 00:00:00.017980 Performance: 507.005 ns/day 0.047 hours/ns 29.341 steps/s 2023-02-20 06:00:42,909 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 59.809 -33560 6555.2 -40115 -40115 15.834 8.5059 -0.48898 8.2538e+05 2023-02-20 06:00:44,833 INFO [main.py:643]
{rank 0/100} MD step = 481700 step time: 00:00:00.018181 Performance: 507.011 ns/day 0.047 hours/ns 29.341 steps/s 2023-02-20 06:00:45,977 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 481700 96340 60.18 -33531 6595.8 -40127 -40127 15.839 8.5075 -0.48932 8.2556e+05 2023-02-20 06:00:47,907 INFO [main.py:643]
{rank 0/100} MD step = 481800 step time: 00:00:00.022055 Performance: 507.021 ns/day 0.047 hours/ns 29.341 steps/s 2023-02-20 06:00:48,756 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 60.634 -33557 6645.6 -40202 -40202 15.844 8.5105 -0.48921 8.2574e+05 2023-02-20 06:00:51,152 INFO [main.py:643]
{rank 0/100} MD step = 481900 step time: 00:00:00.018197 Performance: 507.026 ns/day 0.047 hours/ns 29.342 steps/s 2023-02-20 06:00:52,468 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 60.535 -33436 6634.7 -40071 -40071 15.85 8.5104 -0.48802 8.2591e+05 2023-02-20 06:00:54,284 INFO [main.py:643]
{rank 0/100} MD step = 482000 step time: 00:00:00.018632 Performance: 507.035 ns/day 0.047 hours/ns 29.342 steps/s 2023-02-20 06:00:55,851 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 59.725 -33677 6545.9 -40223 -40223 15.855 8.5121 -0.48856 8.2605e+05 2023-02-20 06:00:57,767 INFO [main.py:643]
{rank 0/100} MD step = 482100 step time: 00:00:00.018592 Performance: 507.032 ns/day 0.047 hours/ns 29.342 steps/s 2023-02-20 06:00:59,148 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 60.854 -33467 6669.6 -40137 -40137 15.86 8.512 -0.48903 8.2624e+05 2023-02-20 06:01:01,019 INFO [main.py:643]
{rank 0/100} MD step = 482200 step time: 00:00:00.017998 Performance: 507.037 ns/day 0.047 hours/ns 29.342 steps/s 2023-02-20 06:01:02,471 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 60.113 -33554 6588.5 -40143 -40143 15.867 8.5143 -0.48985 8.264e+05 2023-02-20 06:01:04,315 INFO [main.py:643]
{rank 0/100} MD step = 482300 step time: 00:00:00.018050 Performance: 507.040 ns/day 0.047 hours/ns 29.343 steps/s 2023-02-20 06:01:05,602 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 60.478 -33431 6628.5 -40060 -40060 15.874 8.5148 -0.48934 8.2658e+05 2023-02-20 06:01:07,501 INFO [main.py:643]
{rank 0/100} MD step = 482400 step time: 00:00:00.018105 Performance: 507.047 ns/day 0.047 hours/ns 29.343 steps/s 2023-02-20 06:01:08,901 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 59.712 -33481 6544.5 -40025 -40025 15.879 8.5157 -0.49051 8.2676e+05 2023-02-20 06:01:10,709 INFO [main.py:643]
{rank 0/100} MD step = 482500 step time: 00:00:00.018126 Performance: 507.053 ns/day 0.047 hours/ns 29.343 steps/s 2023-02-20 06:01:11,910 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 60.903 -33507 6675 -40182 -40182 15.884 8.516 -0.49075 8.2693e+05 2023-02-20 06:01:14,009 INFO [main.py:643]
{rank 0/100} MD step = 482600 step time: 00:00:00.017967 Performance: 507.057 ns/day 0.047 hours/ns 29.344 steps/s 2023-02-20 06:01:15,451 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 60.294 -33497 6608.3 -40105 -40105 15.89 8.5181 -0.48989 8.2711e+05 2023-02-20 06:01:17,287 INFO [main.py:643]
{rank 0/100} MD step = 482700 step time: 00:00:00.018118 Performance: 507.061 ns/day 0.047 hours/ns 29.344 steps/s 2023-02-20 06:01:18,625 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 60.443 -33477 6624.6 -40101 -40101 15.893 8.5188 -0.49066 8.2728e+05 2023-02-20 06:01:20,526 INFO [main.py:643]
{rank 0/100} MD step = 482800 step time: 00:00:00.018592 Performance: 507.066 ns/day 0.047 hours/ns 29.344 steps/s 2023-02-20 06:01:21,752 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 482800 96560 58.71 -33627 6434.7 -40062 -40062 15.9 8.5193 -0.49197 8.2747e+05 2023-02-20 06:01:23,757 INFO [main.py:643]
{rank 0/100} MD step = 482900 step time: 00:00:00.028500 Performance: 507.071 ns/day 0.047 hours/ns 29.344 steps/s 2023-02-20 06:01:26,066 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 60.118 -33585 6589 -40174 -40174 15.907 8.5191 -0.49255 8.2763e+05 2023-02-20 06:01:27,878 INFO [main.py:643]
{rank 0/100} MD step = 483000 step time: 00:00:00.018220 Performance: 507.049 ns/day 0.047 hours/ns 29.343 steps/s 2023-02-20 06:01:28,834 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 60.058 -33527 6582.4 -40110 -40110 15.91 8.5209 -0.49216 8.2781e+05 2023-02-20 06:01:31,260 INFO [main.py:643]
{rank 0/100} MD step = 483100 step time: 00:00:00.018245 Performance: 507.050 ns/day 0.047 hours/ns 29.343 steps/s 2023-02-20 06:01:32,631 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 60.71 -33425 6653.9 -40078 -40078 15.916 8.5217 -0.49353 8.2798e+05 2023-02-20 06:01:34,577 INFO [main.py:643]
{rank 0/100} MD step = 483200 step time: 00:00:00.018030 Performance: 507.053 ns/day 0.047 hours/ns 29.343 steps/s 2023-02-20 06:01:36,140 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 483200 96640 60.048 -33561 6581.4 -40143 -40143 15.922 8.5229 -0.49347 8.2817e+05 2023-02-20 06:01:38,091 INFO [main.py:643]
{rank 0/100} MD step = 483300 step time: 00:00:00.018053 Performance: 507.050 ns/day 0.047 hours/ns 29.343 steps/s 2023-02-20 06:01:39,726 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 59.652 -33646 6537.9 -40184 -40184 15.926 8.525 -0.49523 8.2835e+05 2023-02-20 06:01:41,572 INFO [main.py:643]
{rank 0/100} MD step = 483400 step time: 00:00:00.018010 Performance: 507.048 ns/day 0.047 hours/ns 29.343 steps/s 2023-02-20 06:01:43,031 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 60.225 -33479 6600.7 -40080 -40080 15.93 8.5267 -0.49643 8.2852e+05 2023-02-20 06:01:44,887 INFO [main.py:643]
{rank 0/100} MD step = 483500 step time: 00:00:00.018159 Performance: 507.050 ns/day 0.047 hours/ns 29.343 steps/s 2023-02-20 06:01:46,408 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 60.523 -33443 6633.4 -40076 -40076 15.935 8.529 -0.49774 8.2869e+05 2023-02-20 06:01:48,231 INFO [main.py:643]
{rank 0/100} MD step = 483600 step time: 00:00:00.018119 Performance: 507.052 ns/day 0.047 hours/ns 29.343 steps/s 2023-02-20 06:01:49,622 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 60.165 -33559 6594.2 -40154 -40154 15.94 8.5315 -0.49864 8.2884e+05 2023-02-20 06:01:51,514 INFO [main.py:643]
{rank 0/100} MD step = 483700 step time: 00:00:00.018131 Performance: 507.056 ns/day 0.047 hours/ns 29.344 steps/s 2023-02-20 06:01:53,100 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 60.465 -33604 6627 -40231 -40231 15.945 8.5328 -0.50044 8.2899e+05 2023-02-20 06:01:54,903 INFO [main.py:643]
{rank 0/100} MD step = 483800 step time: 00:00:00.018050 Performance: 507.057 ns/day 0.047 hours/ns 29.344 steps/s 2023-02-20 06:01:56,102 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 60.521 -33554 6633.2 -40187 -40187 15.949 8.5354 -0.50014 8.2916e+05 2023-02-20 06:01:58,137 INFO [main.py:643]
{rank 0/100} MD step = 483900 step time: 00:00:00.018487 Performance: 507.062 ns/day 0.047 hours/ns 29.344 steps/s 2023-02-20 06:01:59,753 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 59.554 -33569 6527.2 -40096 -40096 15.953 8.5355 -0.50054 8.2933e+05 2023-02-20 06:02:01,589 INFO [main.py:643]
{rank 0/100} MD step = 484000 step time: 00:00:00.018143 Performance: 507.061 ns/day 0.047 hours/ns 29.344 steps/s 2023-02-20 06:02:02,743 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 484000 96800 59.345 -33709 6504.3 -40213 -40213 15.958 8.5367 -0.50062 8.295e+05 2023-02-20 06:02:05,262 INFO [main.py:643]
{rank 0/100} MD step = 484100 step time: 00:00:00.018142 Performance: 507.053 ns/day 0.047 hours/ns 29.343 steps/s 2023-02-20 06:02:06,584 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 60.425 -33381 6622.7 -40004 -40004 15.964 8.536 -0.50079 8.2969e+05 2023-02-20 06:02:08,467 INFO [main.py:643]
{rank 0/100} MD step = 484200 step time: 00:00:00.018292 Performance: 507.059 ns/day 0.047 hours/ns 29.344 steps/s 2023-02-20 06:02:09,923 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 484200 96840 60.502 -33532 6631.1 -40163 -40163 15.969 8.5383 -0.50068 8.2983e+05 2023-02-20 06:02:11,802 INFO [main.py:643]
{rank 0/100} MD step = 484300 step time: 00:00:00.017954 Performance: 507.061 ns/day 0.047 hours/ns 29.344 steps/s 2023-02-20 06:02:13,125 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 59.387 -33684 6508.9 -40192 -40192 15.974 8.5404 -0.50199 8.2997e+05 2023-02-20 06:02:15,026 INFO [main.py:643]
{rank 0/100} MD step = 484400 step time: 00:00:00.018205 Performance: 507.067 ns/day 0.047 hours/ns 29.344 steps/s 2023-02-20 06:02:16,386 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 484400 96880 60.717 -33453 6654.6 -40108 -40108 15.981 8.5429 -0.50267 8.3019e+05 2023-02-20 06:02:18,271 INFO [main.py:643]
{rank 0/100} MD step = 484500 step time: 00:00:00.018137 Performance: 507.072 ns/day 0.047 hours/ns 29.344 steps/s 2023-02-20 06:02:19,614 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 60.734 -33369 6656.5 -40025 -40025 15.987 8.5445 -0.50246 8.3035e+05 2023-02-20 06:02:21,455 INFO [main.py:643]
{rank 0/100} MD step = 484600 step time: 00:00:00.017990 Performance: 507.079 ns/day 0.047 hours/ns 29.345 steps/s 2023-02-20 06:02:22,360 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 60.748 -33422 6658.1 -40080 -40080 15.993 8.5447 -0.50323 8.3053e+05 2023-02-20 06:02:24,701 INFO [main.py:643]
{rank 0/100} MD step = 484700 step time: 00:00:00.017924 Performance: 507.084 ns/day 0.047 hours/ns 29.345 steps/s 2023-02-20 06:02:26,102 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 61.027 -33442 6688.6 -40130 -40130 15.997 8.547 -0.50069 8.307e+05 2023-02-20 06:02:28,004 INFO [main.py:643]
{rank 0/100} MD step = 484800 step time: 00:00:00.018179 Performance: 507.087 ns/day 0.047 hours/ns 29.345 steps/s 2023-02-20 06:02:29,417 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 59.803 -33612 6554.5 -40166 -40166 16.001 8.5487 -0.5008 8.3088e+05 2023-02-20 06:02:31,233 INFO [main.py:643]
{rank 0/100} MD step = 484900 step time: 00:00:00.017958 Performance: 507.092 ns/day 0.047 hours/ns 29.346 steps/s 2023-02-20 06:02:32,444 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 59.124 -33619 6480 -40099 -40099 16.004 8.551 -0.50224 8.3105e+05 2023-02-20 06:02:34,414 INFO [main.py:643]
{rank 0/100} MD step = 485000 step time: 00:00:00.017959 Performance: 507.099 ns/day 0.047 hours/ns 29.346 steps/s 2023-02-20 06:02:35,827 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 59.74 -33505 6547.6 -40053 -40053 16.01 8.5523 -0.50212 8.3126e+05 2023-02-20 06:02:37,635 INFO [main.py:643]
{rank 0/100} MD step = 485100 step time: 00:00:00.018142 Performance: 507.105 ns/day 0.047 hours/ns 29.346 steps/s 2023-02-20 06:02:39,254 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 485100 97020 59.983 -33482 6574.2 -40056 -40056 16.015 8.5545 -0.50191 8.3141e+05 2023-02-20 06:02:41,228 INFO [main.py:643]
{rank 0/100} MD step = 485200 step time: 00:00:00.018220 Performance: 507.099 ns/day 0.047 hours/ns 29.346 steps/s 2023-02-20 06:02:42,600 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 59.9 -33652 6565.1 -40218 -40218 16.021 8.5551 -0.50205 8.3155e+05 2023-02-20 06:02:44,516 INFO [main.py:643]
{rank 0/100} MD step = 485300 step time: 00:00:00.018013 Performance: 507.103 ns/day 0.047 hours/ns 29.346 steps/s 2023-02-20 06:02:45,985 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 60.262 -33515 6604.8 -40120 -40120 16.026 8.5555 -0.50106 8.3175e+05 2023-02-20 06:02:47,839 INFO [main.py:643]
{rank 0/100} MD step = 485400 step time: 00:00:00.018179 Performance: 507.106 ns/day 0.047 hours/ns 29.346 steps/s 2023-02-20 06:02:49,247 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 59.93 -33670 6568.4 -40238 -40238 16.029 8.554 -0.50092 8.3191e+05 2023-02-20 06:02:51,074 INFO [main.py:643]
{rank 0/100} MD step = 485500 step time: 00:00:00.018006 Performance: 507.111 ns/day 0.047 hours/ns 29.347 steps/s 2023-02-20 06:02:51,925 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 59.65 -33630 6537.7 -40167 -40167 16.034 8.5557 -0.4991 8.3212e+05 2023-02-20 06:02:54,276 INFO [main.py:643]
{rank 0/100} MD step = 485600 step time: 00:00:00.018073 Performance: 507.117 ns/day 0.047 hours/ns 29.347 steps/s 2023-02-20 06:02:55,687 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 60.232 -33572 6601.5 -40173 -40173 16.04 8.557 -0.50022 8.3231e+05 2023-02-20 06:02:57,532 INFO [main.py:643]
{rank 0/100} MD step = 485700 step time: 00:00:00.018226 Performance: 507.122 ns/day 0.047 hours/ns 29.347 steps/s 2023-02-20 06:02:58,610 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 59.896 -33515 6564.7 -40080 -40080 16.044 8.56 -0.50003 8.3248e+05 2023-02-20 06:03:00,805 INFO [main.py:643]
{rank 0/100} MD step = 485800 step time: 00:00:00.018005 Performance: 507.126 ns/day 0.047 hours/ns 29.348 steps/s 2023-02-20 06:03:02,043 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 59.955 -33570 6571.2 -40142 -40142 16.049 8.5619 -0.49717 8.3263e+05 2023-02-20 06:03:03,942 INFO [main.py:643]
{rank 0/100} MD step = 485900 step time: 00:00:00.018024 Performance: 507.134 ns/day 0.047 hours/ns 29.348 steps/s 2023-02-20 06:03:05,232 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 59.822 -33526 6556.6 -40083 -40083 16.053 8.5642 -0.49685 8.3282e+05 2023-02-20 06:03:07,118 INFO [main.py:643]
{rank 0/100} MD step = 486000 step time: 00:00:00.018211 Performance: 507.141 ns/day 0.047 hours/ns 29.348 steps/s 2023-02-20 06:03:08,281 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 60.039 -33591 6580.4 -40172 -40172 16.058 8.5659 -0.49567 8.3299e+05 2023-02-20 06:03:10,299 INFO [main.py:643]
{rank 0/100} MD step = 486100 step time: 00:00:00.017967 Performance: 507.148 ns/day 0.047 hours/ns 29.349 steps/s 2023-02-20 06:03:11,537 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 60.557 -33434 6637.1 -40071 -40071 16.062 8.5677 -0.49553 8.3318e+05 2023-02-20 06:03:13,453 INFO [main.py:643]
{rank 0/100} MD step = 486200 step time: 00:00:00.018068 Performance: 507.156 ns/day 0.047 hours/ns 29.349 steps/s 2023-02-20 06:03:14,751 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 60.145 -33509 6592 -40101 -40101 16.067 8.5687 -0.49477 8.3335e+05 2023-02-20 06:03:16,579 INFO [main.py:643]
{rank 0/100} MD step = 486300 step time: 00:00:00.018103 Performance: 507.165 ns/day 0.047 hours/ns 29.350 steps/s 2023-02-20 06:03:17,977 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 60.395 -33522 6619.3 -40142 -40142 16.07 8.5717 -0.49531 8.3353e+05 2023-02-20 06:03:19,791 INFO [main.py:643]
{rank 0/100} MD step = 486400 step time: 00:00:00.018105 Performance: 507.171 ns/day 0.047 hours/ns 29.350 steps/s 2023-02-20 06:03:21,186 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 59.535 -33631 6525.1 -40156 -40156 16.075 8.574 -0.495 8.3368e+05 2023-02-20 06:03:22,999 INFO [main.py:643]
{rank 0/100} MD step = 486500 step time: 00:00:00.017975 Performance: 507.177 ns/day 0.047 hours/ns 29.351 steps/s 2023-02-20 06:03:24,382 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 486500 97300 59.97 -33500 6572.7 -40073 -40073 16.08 8.5753 -0.49407 8.3387e+05 2023-02-20 06:03:26,221 INFO [main.py:643]
{rank 0/100} MD step = 486600 step time: 00:00:00.017998 Performance: 507.182 ns/day 0.047 hours/ns 29.351 steps/s 2023-02-20 06:03:27,482 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 60.396 -33484 6619.5 -40103 -40103 16.086 8.5776 -0.49381 8.3403e+05 2023-02-20 06:03:29,395 INFO [main.py:643]
{rank 0/100} MD step = 486700 step time: 00:00:00.017917 Performance: 507.189 ns/day 0.047 hours/ns 29.351 steps/s 2023-02-20 06:03:30,680 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 60.132 -33530 6590.5 -40120 -40120 16.093 8.5788 -0.49228 8.342e+05 2023-02-20 06:03:32,532 INFO [main.py:643]
{rank 0/100} MD step = 486800 step time: 00:00:00.018099 Performance: 507.198 ns/day 0.047 hours/ns 29.352 steps/s 2023-02-20 06:03:33,826 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 486800 97360 59.911 -33503 6566.3 -40069 -40069 16.098 8.5808 -0.48989 8.3438e+05 2023-02-20 06:03:35,739 INFO [main.py:643]
{rank 0/100} MD step = 486900 step time: 00:00:00.018048 Performance: 507.204 ns/day 0.047 hours/ns 29.352 steps/s 2023-02-20 06:03:37,100 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 486900 97380 59.375 -33630 6507.5 -40138 -40138 16.102 8.5829 -0.48827 8.3451e+05 2023-02-20 06:03:39,031 INFO [main.py:643]
{rank 0/100} MD step = 487000 step time: 00:00:00.017950 Performance: 507.207 ns/day 0.047 hours/ns 29.352 steps/s 2023-02-20 06:03:40,347 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 59.781 -33515 6552 -40067 -40067 16.106 8.5863 -0.48814 8.3471e+05 2023-02-20 06:03:42,208 INFO [main.py:643]
{rank 0/100} MD step = 487100 step time: 00:00:00.018057 Performance: 507.214 ns/day 0.047 hours/ns 29.353 steps/s 2023-02-20 06:03:43,510 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 59.728 -33620 6546.3 -40167 -40167 16.11 8.5892 -0.4858 8.3483e+05 2023-02-20 06:03:45,370 INFO [main.py:643]
{rank 0/100} MD step = 487200 step time: 00:00:00.018036 Performance: 507.222 ns/day 0.047 hours/ns 29.353 steps/s 2023-02-20 06:03:46,700 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 60.135 -33442 6590.8 -40033 -40033 16.113 8.5897 -0.48719 8.3503e+05 2023-02-20 06:03:48,525 INFO [main.py:643]
{rank 0/100} MD step = 487300 step time: 00:00:00.017943 Performance: 507.230 ns/day 0.047 hours/ns 29.354 steps/s 2023-02-20 06:03:49,304 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 58.895 -33756 6455 -40211 -40211 16.116 8.5913 -0.48589 8.3515e+05 2023-02-20 06:03:51,687 INFO [main.py:643]
{rank 0/100} MD step = 487400 step time: 00:00:00.017954 Performance: 507.237 ns/day 0.047 hours/ns 29.354 steps/s 2023-02-20 06:03:53,007 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 60.451 -33446 6625.5 -40071 -40071 16.118 8.5927 -0.48504 8.3539e+05 2023-02-20 06:03:54,819 INFO [main.py:643]
{rank 0/100} MD step = 487500 step time: 00:00:00.018322 Performance: 507.245 ns/day 0.047 hours/ns 29.354 steps/s 2023-02-20 06:03:56,053 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 487500 97500 60.394 -33514 6619.2 -40133 -40133 16.123 8.5948 -0.48477 8.3554e+05 2023-02-20 06:03:57,980 INFO [main.py:643]
{rank 0/100} MD step = 487600 step time: 00:00:00.020495 Performance: 507.253 ns/day 0.047 hours/ns 29.355 steps/s 2023-02-20 06:03:59,273 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 59.638 -33638 6536.4 -40174 -40174 16.129 8.5972 -0.48488 8.3571e+05 2023-02-20 06:04:01,121 INFO [main.py:643]
{rank 0/100} MD step = 487700 step time: 00:00:00.019077 Performance: 507.261 ns/day 0.047 hours/ns 29.355 steps/s 2023-02-20 06:04:02,484 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 60.372 -33629 6616.9 -40246 -40246 16.135 8.5972 -0.48527 8.3587e+05 2023-02-20 06:04:04,347 INFO [main.py:643]
{rank 0/100} MD step = 487800 step time: 00:00:00.018260 Performance: 507.267 ns/day 0.047 hours/ns 29.356 steps/s 2023-02-20 06:04:05,565 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 60.16 -33700 6593.6 -40294 -40294 16.139 8.5988 -0.48538 8.3601e+05 2023-02-20 06:04:07,618 INFO [main.py:643]
{rank 0/100} MD step = 487900 step time: 00:00:00.018203 Performance: 507.271 ns/day 0.047 hours/ns 29.356 steps/s 2023-02-20 06:04:08,948 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 59.686 -33547 6541.7 -40089 -40089 16.145 8.602 -0.48685 8.3621e+05 2023-02-20 06:04:10,807 INFO [main.py:643]
{rank 0/100} MD step = 488000 step time: 00:00:00.018210 Performance: 507.277 ns/day 0.047 hours/ns 29.356 steps/s 2023-02-20 06:04:12,029 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 59.79 -33625 6553 -40178 -40178 16.15 8.603 -0.48735 8.3638e+05 2023-02-20 06:04:13,984 INFO [main.py:643]
{rank 0/100} MD step = 488100 step time: 00:00:00.018520 Performance: 507.284 ns/day 0.047 hours/ns 29.357 steps/s 2023-02-20 06:04:15,270 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 488100 97620 59.682 -33598 6541.2 -40139 -40139 16.154 8.6036 -0.48719 8.3652e+05 2023-02-20 06:04:17,181 INFO [main.py:643]
{rank 0/100} MD step = 488200 step time: 00:00:00.018043 Performance: 507.291 ns/day 0.047 hours/ns 29.357 steps/s 2023-02-20 06:04:18,469 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 488200 97640 59.698 -33546 6542.9 -40089 -40089 16.16 8.6042 -0.48494 8.3674e+05 2023-02-20 06:04:20,373 INFO [main.py:643]
{rank 0/100} MD step = 488300 step time: 00:00:00.018295 Performance: 507.297 ns/day 0.047 hours/ns 29.357 steps/s 2023-02-20 06:04:21,722 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 488300 97660 60.654 -33423 6647.7 -40071 -40071 16.165 8.6076 -0.48365 8.3691e+05 2023-02-20 06:04:23,639 INFO [main.py:643]
{rank 0/100} MD step = 488400 step time: 00:00:00.018055 Performance: 507.301 ns/day 0.047 hours/ns 29.358 steps/s 2023-02-20 06:04:24,931 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 59.571 -33575 6529 -40104 -40104 16.171 8.6084 -0.48517 8.3703e+05 2023-02-20 06:04:26,793 INFO [main.py:643]
{rank 0/100} MD step = 488500 step time: 00:00:00.018119 Performance: 507.309 ns/day 0.047 hours/ns 29.358 steps/s 2023-02-20 06:04:28,085 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 59.989 -33459 6574.9 -40034 -40034 16.175 8.6101 -0.48504 8.372e+05 2023-02-20 06:04:29,953 INFO [main.py:643]
{rank 0/100} MD step = 488600 step time: 00:00:00.018208 Performance: 507.317 ns/day 0.047 hours/ns 29.359 steps/s 2023-02-20 06:04:31,288 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 60.122 -33530 6589.5 -40119 -40119 16.178 8.6105 -0.48648 8.3737e+05 2023-02-20 06:04:33,116 INFO [main.py:643]
{rank 0/100} MD step = 488700 step time: 00:00:00.018476 Performance: 507.324 ns/day 0.047 hours/ns 29.359 steps/s 2023-02-20 06:04:34,282 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 488700 97740 59.676 -33658 6540.5 -40199 -40199 16.184 8.6113 -0.48727 8.3754e+05 2023-02-20 06:04:36,246 INFO [main.py:643]
{rank 0/100} MD step = 488800 step time: 00:00:00.017932 Performance: 507.333 ns/day 0.047 hours/ns 29.360 steps/s 2023-02-20 06:04:37,567 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 61.248 -33298 6712.8 -40010 -40010 16.189 8.6122 -0.48719 8.3771e+05 2023-02-20 06:04:39,413 INFO [main.py:643]
{rank 0/100} MD step = 488900 step time: 00:00:00.018041 Performance: 507.340 ns/day 0.047 hours/ns 29.360 steps/s 2023-02-20 06:04:40,672 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 59.611 -33566 6533.4 -40100 -40100 16.194 8.6154 -0.4885 8.3789e+05 2023-02-20 06:04:42,591 INFO [main.py:643]
{rank 0/100} MD step = 489000 step time: 00:00:00.018228 Performance: 507.347 ns/day 0.047 hours/ns 29.360 steps/s 2023-02-20 06:04:43,855 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 60.43 -33564 6623.2 -40187 -40187 16.2 8.6171 -0.48788 8.3804e+05 2023-02-20 06:04:45,808 INFO [main.py:643]
{rank 0/100} MD step = 489100 step time: 00:00:00.017978 Performance: 507.353 ns/day 0.047 hours/ns 29.361 steps/s 2023-02-20 06:04:47,073 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 59.253 -33622 6494.2 -40116 -40116 16.204 8.6188 -0.48691 8.3821e+05 2023-02-20 06:04:49,064 INFO [main.py:643]
{rank 0/100} MD step = 489200 step time: 00:00:00.019052 Performance: 507.357 ns/day 0.047 hours/ns 29.361 steps/s 2023-02-20 06:04:50,320 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 60.22 -33554 6600.2 -40154 -40154 16.207 8.6199 -0.48692 8.3838e+05 2023-02-20 06:04:52,312 INFO [main.py:643]
{rank 0/100} MD step = 489300 step time: 00:00:00.017887 Performance: 507.362 ns/day 0.047 hours/ns 29.361 steps/s 2023-02-20 06:04:53,534 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 59.765 -33681 6550.3 -40231 -40231 16.212 8.6217 -0.48688 8.3854e+05 2023-02-20 06:04:55,459 INFO [main.py:643]
{rank 0/100} MD step = 489400 step time: 00:00:00.017863 Performance: 507.370 ns/day 0.047 hours/ns 29.362 steps/s 2023-02-20 06:04:56,870 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 59.723 -33636 6545.8 -40182 -40182 16.216 8.6238 -0.48553 8.3871e+05 2023-02-20 06:04:58,715 INFO [main.py:643]
{rank 0/100} MD step = 489500 step time: 00:00:00.018113 Performance: 507.374 ns/day 0.047 hours/ns 29.362 steps/s 2023-02-20 06:05:00,058 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 59.686 -33461 6541.7 -40003 -40003 16.222 8.626 -0.48462 8.3891e+05 2023-02-20 06:05:01,881 INFO [main.py:643]
{rank 0/100} MD step = 489600 step time: 00:00:00.018252 Performance: 507.382 ns/day 0.047 hours/ns 29.362 steps/s 2023-02-20 06:05:03,267 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 59.62 -33510 6534.5 -40045 -40045 16.226 8.626 -0.48532 8.3906e+05 2023-02-20 06:05:05,139 INFO [main.py:643]
{rank 0/100} MD step = 489700 step time: 00:00:00.018020 Performance: 507.386 ns/day 0.047 hours/ns 29.363 steps/s 2023-02-20 06:05:06,363 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 59.662 -33566 6539.1 -40105 -40105 16.23 8.6278 -0.48666 8.3924e+05 2023-02-20 06:05:08,378 INFO [main.py:643]
{rank 0/100} MD step = 489800 step time: 00:00:00.018158 Performance: 507.391 ns/day 0.047 hours/ns 29.363 steps/s 2023-02-20 06:05:09,633 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 60.111 -33512 6588.2 -40100 -40100 16.235 8.6302 -0.48807 8.3941e+05 2023-02-20 06:05:11,560 INFO [main.py:643]
{rank 0/100} MD step = 489900 step time: 00:00:00.017920 Performance: 507.398 ns/day 0.047 hours/ns 29.363 steps/s 2023-02-20 06:05:12,913 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 61.055 -33414 6691.7 -40105 -40105 16.238 8.6318 -0.48801 8.3956e+05 2023-02-20 06:05:14,764 INFO [main.py:643]
{rank 0/100} MD step = 490000 step time: 00:00:00.018093 Performance: 507.404 ns/day 0.047 hours/ns 29.364 steps/s 2023-02-20 06:05:16,380 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 60.24 -33517 6602.4 -40120 -40120 16.241 8.6347 -0.49056 8.3973e+05 2023-02-20 06:05:18,406 INFO [main.py:643]
{rank 0/100} MD step = 490100 step time: 00:00:00.018263 Performance: 507.397 ns/day 0.047 hours/ns 29.363 steps/s 2023-02-20 06:05:19,640 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 60.69 -33462 6651.7 -40114 -40114 16.243 8.6365 -0.49111 8.3993e+05 2023-02-20 06:05:21,619 INFO [main.py:643]
{rank 0/100} MD step = 490200 step time: 00:00:00.017919 Performance: 507.403 ns/day 0.047 hours/ns 29.364 steps/s 2023-02-20 06:05:22,963 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 490200 98040 59.35 -33680 6504.9 -40185 -40185 16.249 8.6371 -0.49092 8.4007e+05 2023-02-20 06:05:25,037 INFO [main.py:643]
{rank 0/100} MD step = 490300 step time: 00:00:00.018402 Performance: 507.402 ns/day 0.047 hours/ns 29.364 steps/s 2023-02-20 06:05:26,251 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 59.461 -33514 6517 -40031 -40031 16.257 8.6372 -0.49191 8.4026e+05 2023-02-20 06:05:28,222 INFO [main.py:643]
{rank 0/100} MD step = 490400 step time: 00:00:00.018033 Performance: 507.409 ns/day 0.047 hours/ns 29.364 steps/s 2023-02-20 06:05:29,617 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 59.972 -33691 6573 -40264 -40264 16.26 8.6383 -0.4922 8.4041e+05 2023-02-20 06:05:31,515 INFO [main.py:643]
{rank 0/100} MD step = 490500 step time: 00:00:00.018213 Performance: 507.413 ns/day 0.047 hours/ns 29.364 steps/s 2023-02-20 06:05:32,829 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 59.612 -33592 6533.6 -40125 -40125 16.264 8.6397 -0.49266 8.4063e+05 2023-02-20 06:05:34,640 INFO [main.py:643]
{rank 0/100} MD step = 490600 step time: 00:00:00.018063 Performance: 507.421 ns/day 0.047 hours/ns 29.365 steps/s 2023-02-20 06:05:40,416 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 59.645 -33501 6537.2 -40038 -40038 16.267 8.6408 -0.49153 8.4076e+05 2023-02-20 06:05:42,423 INFO [main.py:643]
{rank 0/100} MD step = 490700 step time: 00:00:00.018124 Performance: 507.288 ns/day 0.047 hours/ns 29.357 steps/s 2023-02-20 06:05:44,580 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 60.256 -33582 6604.1 -40187 -40187 16.272 8.6417 -0.49161 8.4094e+05 2023-02-20 06:05:46,516 INFO [main.py:643]
{rank 0/100} MD step = 490800 step time: 00:00:00.017989 Performance: 507.267 ns/day 0.047 hours/ns 29.356 steps/s 2023-02-20 06:05:50,312 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 60.42 -33453 6622.1 -40075 -40075 16.276 8.6429 -0.49237 8.4111e+05 2023-02-20 06:05:52,269 INFO [main.py:643]
{rank 0/100} MD step = 490900 step time: 00:00:00.017998 Performance: 507.196 ns/day 0.047 hours/ns 29.352 steps/s 2023-02-20 06:05:53,582 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 59.837 -33568 6558.2 -40126 -40126 16.282 8.6451 -0.49284 8.4129e+05 2023-02-20 06:05:55,422 INFO [main.py:643]
{rank 0/100} MD step = 491000 step time: 00:00:00.018292 Performance: 507.204 ns/day 0.047 hours/ns 29.352 steps/s 2023-02-20 06:05:56,767 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 491000 98200 59.476 -33650 6518.6 -40169 -40169 16.287 8.6463 -0.49352 8.4147e+05 2023-02-20 06:05:58,659 INFO [main.py:643]
{rank 0/100} MD step = 491100 step time: 00:00:00.018254 Performance: 507.209 ns/day 0.047 hours/ns 29.352 steps/s 2023-02-20 06:05:59,824 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 59.649 -33662 6537.7 -40200 -40200 16.292 8.6484 -0.49445 8.4161e+05 2023-02-20 06:06:01,777 INFO [main.py:643]
{rank 0/100} MD step = 491200 step time: 00:00:00.017957 Performance: 507.218 ns/day 0.047 hours/ns 29.353 steps/s 2023-02-20 06:06:03,025 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 491200 98240 60.073 -33516 6584 -40100 -40100 16.297 8.6487 -0.49614 8.4182e+05 2023-02-20 06:06:05,022 INFO [main.py:643]
{rank 0/100} MD step = 491300 step time: 00:00:00.018694 Performance: 507.223 ns/day 0.047 hours/ns 29.353 steps/s 2023-02-20 06:06:06,346 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 60.544 -33517 6635.7 -40153 -40153 16.302 8.6509 -0.49566 8.4198e+05 2023-02-20 06:06:08,255 INFO [main.py:643]
{rank 0/100} MD step = 491400 step time: 00:00:00.018169 Performance: 507.228 ns/day 0.047 hours/ns 29.353 steps/s 2023-02-20 06:06:09,587 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 59.475 -33595 6518.6 -40113 -40113 16.309 8.6538 -0.49523 8.4215e+05 2023-02-20 06:06:11,548 INFO [main.py:643]
{rank 0/100} MD step = 491500 step time: 00:00:00.018629 Performance: 507.231 ns/day 0.047 hours/ns 29.354 steps/s 2023-02-20 06:06:12,649 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 60.024 -33485 6578.8 -40064 -40064 16.312 8.6573 -0.49477 8.4232e+05 2023-02-20 06:06:15,002 INFO [main.py:643]
{rank 0/100} MD step = 491600 step time: 00:00:00.018146 Performance: 507.230 ns/day 0.047 hours/ns 29.354 steps/s 2023-02-20 06:06:16,287 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 61.052 -33466 6691.4 -40158 -40158 16.318 8.6572 -0.49355 8.4245e+05 2023-02-20 06:06:18,197 INFO [main.py:643]
{rank 0/100} MD step = 491700 step time: 00:00:00.017958 Performance: 507.236 ns/day 0.047 hours/ns 29.354 steps/s 2023-02-20 06:06:19,450 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 60.718 -33355 6654.7 -40009 -40009 16.324 8.6594 -0.49305 8.4262e+05 2023-02-20 06:06:21,334 INFO [main.py:643]
{rank 0/100} MD step = 491800 step time: 00:00:00.018192 Performance: 507.245 ns/day 0.047 hours/ns 29.354 steps/s 2023-02-20 06:06:22,603 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 59.72 -33584 6545.4 -40129 -40129 16.329 8.6617 -0.4929 8.4278e+05 2023-02-20 06:06:24,524 INFO [main.py:643]
{rank 0/100} MD step = 491900 step time: 00:00:00.018477 Performance: 507.251 ns/day 0.047 hours/ns 29.355 steps/s 2023-02-20 06:06:25,958 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 491900 98380 59.754 -33611 6549.2 -40160 -40160 16.334 8.6641 -0.49074 8.4297e+05 2023-02-20 06:06:27,778 INFO [main.py:643]
{rank 0/100} MD step = 492000 step time: 00:00:00.018157 Performance: 507.256 ns/day 0.047 hours/ns 29.355 steps/s 2023-02-20 06:06:28,973 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 492000 98400 60.865 -33388 6670.9 -40059 -40059 16.339 8.6671 -0.48974 8.4314e+05 2023-02-20 06:06:30,944 INFO [main.py:643]
{rank 0/100} MD step = 492100 step time: 00:00:00.018068 Performance: 507.263 ns/day 0.047 hours/ns 29.355 steps/s 2023-02-20 06:06:32,298 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 60.038 -33513 6580.2 -40094 -40094 16.342 8.6678 -0.48981 8.433e+05 2023-02-20 06:06:34,233 INFO [main.py:643]
{rank 0/100} MD step = 492200 step time: 00:00:00.018338 Performance: 507.267 ns/day 0.047 hours/ns 29.356 steps/s 2023-02-20 06:06:35,497 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 492200 98440 59.696 -33538 6542.8 -40081 -40081 16.348 8.67 -0.49058 8.4352e+05 2023-02-20 06:06:37,403 INFO [main.py:643]
{rank 0/100} MD step = 492300 step time: 00:00:00.018147 Performance: 507.274 ns/day 0.047 hours/ns 29.356 steps/s 2023-02-20 06:06:38,798 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 60.206 -33550 6598.7 -40149 -40149 16.355 8.6719 -0.49058 8.4366e+05 2023-02-20 06:06:40,662 INFO [main.py:643]
{rank 0/100} MD step = 492400 step time: 00:00:00.017934 Performance: 507.278 ns/day 0.047 hours/ns 29.356 steps/s 2023-02-20 06:06:41,993 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 59.971 -33525 6572.9 -40098 -40098 16.359 8.6724 -0.48969 8.4384e+05 2023-02-20 06:06:43,946 INFO [main.py:643]
{rank 0/100} MD step = 492500 step time: 00:00:00.018626 Performance: 507.282 ns/day 0.047 hours/ns 29.357 steps/s 2023-02-20 06:06:45,279 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 60.123 -33618 6589.5 -40208 -40208 16.365 8.6738 -0.48988 8.4399e+05 2023-02-20 06:06:47,299 INFO [main.py:643]
{rank 0/100} MD step = 492600 step time: 00:00:00.018035 Performance: 507.283 ns/day 0.047 hours/ns 29.357 steps/s 2023-02-20 06:06:48,659 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 60.789 -33527 6662.6 -40190 -40190 16.37 8.677 -0.48854 8.4415e+05 2023-02-20 06:06:50,514 INFO [main.py:643]
{rank 0/100} MD step = 492700 step time: 00:00:00.017878 Performance: 507.289 ns/day 0.047 hours/ns 29.357 steps/s 2023-02-20 06:06:51,897 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 59.725 -33575 6545.9 -40121 -40121 16.374 8.6797 -0.48767 8.4434e+05 2023-02-20 06:06:53,736 INFO [main.py:643]
{rank 0/100} MD step = 492800 step time: 00:00:00.018411 Performance: 507.295 ns/day 0.047 hours/ns 29.357 steps/s 2023-02-20 06:06:55,134 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 60.008 -33569 6576.9 -40146 -40146 16.378 8.6809 -0.48774 8.4452e+05 2023-02-20 06:06:57,004 INFO [main.py:643]
{rank 0/100} MD step = 492900 step time: 00:00:00.018046 Performance: 507.299 ns/day 0.047 hours/ns 29.358 steps/s 2023-02-20 06:06:58,392 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 59.386 -33671 6508.8 -40179 -40179 16.383 8.6834 -0.48797 8.4467e+05 2023-02-20 06:07:00,344 INFO [main.py:643]
{rank 0/100} MD step = 493000 step time: 00:00:00.018253 Performance: 507.301 ns/day 0.047 hours/ns 29.358 steps/s 2023-02-20 06:07:01,659 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 59.217 -33545 6490.3 -40035 -40035 16.39 8.6838 -0.48826 8.4489e+05 2023-02-20 06:07:03,558 INFO [main.py:643]
{rank 0/100} MD step = 493100 step time: 00:00:00.018001 Performance: 507.307 ns/day 0.047 hours/ns 29.358 steps/s 2023-02-20 06:07:04,930 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 59.813 -33540 6555.6 -40096 -40096 16.394 8.6865 -0.48673 8.4505e+05 2023-02-20 06:07:06,764 INFO [main.py:643]
{rank 0/100} MD step = 493200 step time: 00:00:00.018108 Performance: 507.313 ns/day 0.047 hours/ns 29.358 steps/s 2023-02-20 06:07:08,125 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 59.949 -33578 6570.5 -40148 -40148 16.397 8.6874 -0.48584 8.4524e+05 2023-02-20 06:07:09,939 INFO [main.py:643]
{rank 0/100} MD step = 493300 step time: 00:00:00.018108 Performance: 507.320 ns/day 0.047 hours/ns 29.359 steps/s 2023-02-20 06:07:11,156 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 59.862 -33574 6560.9 -40135 -40135 16.402 8.6897 -0.48544 8.4542e+05 2023-02-20 06:07:13,108 INFO [main.py:643]
{rank 0/100} MD step = 493400 step time: 00:00:00.018062 Performance: 507.327 ns/day 0.047 hours/ns 29.359 steps/s 2023-02-20 06:07:14,421 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 60.848 -33459 6669 -40128 -40128 16.407 8.6907 -0.48826 8.4558e+05 2023-02-20 06:07:16,358 INFO [main.py:643]
{rank 0/100} MD step = 493500 step time: 00:00:00.018018 Performance: 507.332 ns/day 0.047 hours/ns 29.359 steps/s 2023-02-20 06:07:17,714 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 59.766 -33513 6550.4 -40063 -40063 16.41 8.6922 -0.48986 8.4577e+05 2023-02-20 06:07:19,554 INFO [main.py:643]
{rank 0/100} MD step = 493600 step time: 00:00:00.018345 Performance: 507.338 ns/day 0.047 hours/ns 29.360 steps/s 2023-02-20 06:07:21,607 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 60.465 -33547 6627 -40174 -40174 16.415 8.694 -0.49062 8.4593e+05 2023-02-20 06:07:23,672 INFO [main.py:643]
{rank 0/100} MD step = 493700 step time: 00:00:00.018312 Performance: 507.317 ns/day 0.047 hours/ns 29.359 steps/s 2023-02-20 06:07:25,255 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 59.724 -33543 6545.8 -40089 -40089 16.419 8.6946 -0.49007 8.4612e+05 2023-02-20 06:07:27,127 INFO [main.py:643]
{rank 0/100} MD step = 493800 step time: 00:00:00.018177 Performance: 507.315 ns/day 0.047 hours/ns 29.359 steps/s 2023-02-20 06:07:28,302 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 59.158 -33698 6483.8 -40182 -40182 16.423 8.6963 -0.49053 8.4631e+05 2023-02-20 06:07:30,259 INFO [main.py:643]
{rank 0/100} MD step = 493900 step time: 00:00:00.018315 Performance: 507.323 ns/day 0.047 hours/ns 29.359 steps/s 2023-02-20 06:07:31,538 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 493900 98780 60.442 -33546 6624.5 -40170 -40170 16.427 8.6971 -0.48988 8.4646e+05 2023-02-20 06:07:33,409 INFO [main.py:643]
{rank 0/100} MD step = 494000 step time: 00:00:00.018441 Performance: 507.331 ns/day 0.047 hours/ns 29.359 steps/s 2023-02-20 06:07:34,704 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 59.659 -33482 6538.7 -40021 -40021 16.431 8.6985 -0.48826 8.4663e+05 2023-02-20 06:07:36,648 INFO [main.py:643]
{rank 0/100} MD step = 494100 step time: 00:00:00.018198 Performance: 507.336 ns/day 0.047 hours/ns 29.360 steps/s 2023-02-20 06:07:38,015 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 59.828 -33472 6557.2 -40030 -40030 16.436 8.7002 -0.48895 8.4679e+05 2023-02-20 06:07:39,899 INFO [main.py:643]
{rank 0/100} MD step = 494200 step time: 00:00:00.018198 Performance: 507.341 ns/day 0.047 hours/ns 29.360 steps/s 2023-02-20 06:07:41,331 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 59.453 -33556 6516.1 -40072 -40072 16.441 8.702 -0.48972 8.4695e+05 2023-02-20 06:07:43,196 INFO [main.py:643]
{rank 0/100} MD step = 494300 step time: 00:00:00.018044 Performance: 507.344 ns/day 0.047 hours/ns 29.360 steps/s 2023-02-20 06:07:44,396 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 494300 98860 60.795 -33386 6663.2 -40049 -40049 16.444 8.7031 -0.48912 8.4714e+05 2023-02-20 06:07:46,376 INFO [main.py:643]
{rank 0/100} MD step = 494400 step time: 00:00:00.017794 Performance: 507.351 ns/day 0.047 hours/ns 29.361 steps/s 2023-02-20 06:07:47,568 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 494400 98880 60.666 -33553 6649 -40202 -40202 16.45 8.7047 -0.48891 8.4732e+05 2023-02-20 06:07:49,561 INFO [main.py:643]
{rank 0/100} MD step = 494500 step time: 00:00:00.018101 Performance: 507.358 ns/day 0.047 hours/ns 29.361 steps/s 2023-02-20 06:07:50,959 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 60.027 -33608 6579 -40187 -40187 16.454 8.7073 -0.48845 8.475e+05 2023-02-20 06:07:52,789 INFO [main.py:643]
{rank 0/100} MD step = 494600 step time: 00:00:00.017986 Performance: 507.363 ns/day 0.047 hours/ns 29.361 steps/s 2023-02-20 06:07:54,035 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 60.06 -33434 6582.6 -40017 -40017 16.459 8.7103 -0.48728 8.4771e+05 2023-02-20 06:07:55,981 INFO [main.py:643]
{rank 0/100} MD step = 494700 step time: 00:00:00.018135 Performance: 507.369 ns/day 0.047 hours/ns 29.362 steps/s 2023-02-20 06:07:57,280 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 60.111 -33464 6588.2 -40052 -40052 16.463 8.7109 -0.48587 8.4789e+05 2023-02-20 06:07:59,193 INFO [main.py:643]
{rank 0/100} MD step = 494800 step time: 00:00:00.018123 Performance: 507.375 ns/day 0.047 hours/ns 29.362 steps/s 2023-02-20 06:08:00,565 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 59.891 -33626 6564.1 -40191 -40191 16.469 8.7116 -0.48534 8.4799e+05 2023-02-20 06:08:02,436 INFO [main.py:643]
{rank 0/100} MD step = 494900 step time: 00:00:00.018110 Performance: 507.380 ns/day 0.047 hours/ns 29.362 steps/s 2023-02-20 06:08:03,732 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 59.965 -33578 6572.3 -40150 -40150 16.474 8.7109 -0.48376 8.482e+05 2023-02-20 06:08:05,629 INFO [main.py:643]
{rank 0/100} MD step = 495000 step time: 00:00:00.018021 Performance: 507.386 ns/day 0.047 hours/ns 29.363 steps/s 2023-02-20 06:08:07,193 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 59.914 -33586 6566.7 -40153 -40153 16.479 8.7145 -0.48513 8.4838e+05 2023-02-20 06:08:09,045 INFO [main.py:643]
{rank 0/100} MD step = 495100 step time: 00:00:00.019709 Performance: 507.386 ns/day 0.047 hours/ns 29.363 steps/s 2023-02-20 06:08:10,368 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 59.228 -33587 6491.4 -40079 -40079 16.485 8.7167 -0.48578 8.4856e+05 2023-02-20 06:08:12,238 INFO [main.py:643]
{rank 0/100} MD step = 495200 step time: 00:00:00.017993 Performance: 507.393 ns/day 0.047 hours/ns 29.363 steps/s 2023-02-20 06:08:13,862 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 61.297 -33495 6718.2 -40213 -40213 16.489 8.7197 -0.4862 8.4872e+05 2023-02-20 06:08:15,815 INFO [main.py:643]
{rank 0/100} MD step = 495300 step time: 00:00:00.018226 Performance: 507.387 ns/day 0.047 hours/ns 29.363 steps/s 2023-02-20 06:08:16,641 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 59.889 -33502 6563.9 -40066 -40066 16.495 8.7227 -0.48802 8.4891e+05 2023-02-20 06:08:19,018 INFO [main.py:643]
{rank 0/100} MD step = 495400 step time: 00:00:00.018427 Performance: 507.393 ns/day 0.047 hours/ns 29.363 steps/s 2023-02-20 06:08:20,395 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 60.142 -33481 6591.7 -40073 -40073 16.503 8.7247 -0.48905 8.4908e+05 2023-02-20 06:08:22,246 INFO [main.py:643]
{rank 0/100} MD step = 495500 step time: 00:00:00.017954 Performance: 507.399 ns/day 0.047 hours/ns 29.363 steps/s 2023-02-20 06:08:23,600 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 59.344 -33648 6504.1 -40152 -40152 16.507 8.7266 -0.48869 8.4923e+05 2023-02-20 06:08:25,456 INFO [main.py:643]
{rank 0/100} MD step = 495600 step time: 00:00:00.019011 Performance: 507.405 ns/day 0.047 hours/ns 29.364 steps/s 2023-02-20 06:08:26,744 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 495600 99120 59.48 -33630 6519.1 -40149 -40149 16.511 8.7295 -0.48887 8.4941e+05 2023-02-20 06:08:28,668 INFO [main.py:643]
{rank 0/100} MD step = 495700 step time: 00:00:00.018211 Performance: 507.411 ns/day 0.047 hours/ns 29.364 steps/s 2023-02-20 06:08:30,014 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 59.485 -33604 6519.7 -40124 -40124 16.515 8.7305 -0.48808 8.4957e+05 2023-02-20 06:08:31,951 INFO [main.py:643]
{rank 0/100} MD step = 495800 step time: 00:00:00.018131 Performance: 507.414 ns/day 0.047 hours/ns 29.364 steps/s 2023-02-20 06:08:33,281 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 59.658 -33559 6538.6 -40098 -40098 16.517 8.7328 -0.48572 8.4971e+05 2023-02-20 06:08:35,188 INFO [main.py:643]
{rank 0/100} MD step = 495900 step time: 00:00:00.018331 Performance: 507.419 ns/day 0.047 hours/ns 29.365 steps/s 2023-02-20 06:08:36,971 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 60.298 -33516 6608.7 -40124 -40124 16.522 8.7363 -0.48633 8.499e+05 2023-02-20 06:08:38,832 INFO [main.py:643]
{rank 0/100} MD step = 496000 step time: 00:00:00.033191 Performance: 507.412 ns/day 0.047 hours/ns 29.364 steps/s 2023-02-20 06:08:40,277 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 496000 99200 59.738 -33725 6547.3 -40272 -40272 16.526 8.7366 -0.48654 8.5006e+05 2023-02-20 06:08:42,100 INFO [main.py:643]
{rank 0/100} MD step = 496100 step time: 00:00:00.017933 Performance: 507.416 ns/day 0.047 hours/ns 29.364 steps/s 2023-02-20 06:08:43,397 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 59.287 -33589 6497.9 -40087 -40087 16.53 8.7375 -0.48728 8.5024e+05 2023-02-20 06:08:45,786 INFO [main.py:643]
{rank 0/100} MD step = 496200 step time: 00:00:00.018238 Performance: 507.408 ns/day 0.047 hours/ns 29.364 steps/s 2023-02-20 06:08:47,119 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 59.193 -33595 6487.6 -40082 -40082 16.534 8.7397 -0.48528 8.5043e+05 2023-02-20 06:08:48,946 INFO [main.py:643]
{rank 0/100} MD step = 496300 step time: 00:00:00.018287 Performance: 507.415 ns/day 0.047 hours/ns 29.364 steps/s 2023-02-20 06:08:50,300 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 60.236 -33599 6602 -40201 -40201 16.54 8.7411 -0.4841 8.5061e+05 2023-02-20 06:08:52,115 INFO [main.py:643]
{rank 0/100} MD step = 496400 step time: 00:00:00.018100 Performance: 507.422 ns/day 0.047 hours/ns 29.365 steps/s 2023-02-20 06:08:53,417 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 60.555 -33425 6636.9 -40062 -40062 16.544 8.7442 -0.48407 8.5076e+05 2023-02-20 06:08:55,393 INFO [main.py:643]
{rank 0/100} MD step = 496500 step time: 00:00:00.031941 Performance: 507.426 ns/day 0.047 hours/ns 29.365 steps/s 2023-02-20 06:08:56,830 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 59.885 -33525 6563.4 -40089 -40089 16.549 8.7453 -0.48226 8.5095e+05 2023-02-20 06:08:58,663 INFO [main.py:643]
{rank 0/100} MD step = 496600 step time: 00:00:00.018012 Performance: 507.430 ns/day 0.047 hours/ns 29.365 steps/s 2023-02-20 06:08:59,986 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 496600 99320 60.88 -33493 6672.5 -40165 -40165 16.553 8.7483 -0.48304 8.5112e+05 2023-02-20 06:09:01,869 INFO [main.py:643]
{rank 0/100} MD step = 496700 step time: 00:00:00.018124 Performance: 507.436 ns/day 0.047 hours/ns 29.366 steps/s 2023-02-20 06:09:03,162 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 59.956 -33550 6571.3 -40121 -40121 16.559 8.7504 -0.48222 8.513e+05 2023-02-20 06:09:05,107 INFO [main.py:643]
{rank 0/100} MD step = 496800 step time: 00:00:00.017981 Performance: 507.441 ns/day 0.047 hours/ns 29.366 steps/s 2023-02-20 06:09:06,821 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 60.603 -33544 6642.2 -40186 -40186 16.564 8.7524 -0.48306 8.5143e+05 2023-02-20 06:09:08,673 INFO [main.py:643]
{rank 0/100} MD step = 496900 step time: 00:00:00.017931 Performance: 507.436 ns/day 0.047 hours/ns 29.366 steps/s 2023-02-20 06:09:09,942 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 60.159 -33573 6593.5 -40166 -40166 16.569 8.7543 -0.48336 8.5162e+05 2023-02-20 06:09:11,871 INFO [main.py:643]
{rank 0/100} MD step = 497000 step time: 00:00:00.018260 Performance: 507.443 ns/day 0.047 hours/ns 29.366 steps/s 2023-02-20 06:09:13,219 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 60.019 -33698 6578.1 -40276 -40276 16.573 8.7546 -0.48506 8.5174e+05 2023-02-20 06:09:15,093 INFO [main.py:643]
{rank 0/100} MD step = 497100 step time: 00:00:00.018035 Performance: 507.448 ns/day 0.047 hours/ns 29.366 steps/s 2023-02-20 06:09:16,159 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 497100 99420 60.49 -33583 6629.8 -40213 -40213 16.577 8.7574 -0.483 8.5193e+05 2023-02-20 06:09:18,271 INFO [main.py:643]
{rank 0/100} MD step = 497200 step time: 00:00:00.018021 Performance: 507.455 ns/day 0.047 hours/ns 29.367 steps/s 2023-02-20 06:09:19,712 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 60.059 -33654 6582.5 -40236 -40236 16.582 8.7586 -0.48277 8.5207e+05 2023-02-20 06:09:21,540 INFO [main.py:643]
{rank 0/100} MD step = 497300 step time: 00:00:00.019164 Performance: 507.459 ns/day 0.047 hours/ns 29.367 steps/s 2023-02-20 06:09:22,888 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 60.102 -33558 6587.3 -40145 -40145 16.585 8.7601 -0.48193 8.5225e+05 2023-02-20 06:09:24,773 INFO [main.py:643]
{rank 0/100} MD step = 497400 step time: 00:00:00.017963 Performance: 507.464 ns/day 0.047 hours/ns 29.367 steps/s 2023-02-20 06:09:26,065 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 60.623 -33466 6644.4 -40110 -40110 16.59 8.7623 -0.4817 8.5242e+05 2023-02-20 06:09:28,026 INFO [main.py:643]
{rank 0/100} MD step = 497500 step time: 00:00:00.018129 Performance: 507.469 ns/day 0.047 hours/ns 29.367 steps/s 2023-02-20 06:09:29,346 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 60.016 -33592 6577.8 -40170 -40170 16.594 8.7635 -0.48175 8.5261e+05 2023-02-20 06:09:31,159 INFO [main.py:643]
{rank 0/100} MD step = 497600 step time: 00:00:00.018223 Performance: 507.477 ns/day 0.047 hours/ns 29.368 steps/s 2023-02-20 06:09:32,368 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 59.854 -33592 6560.1 -40152 -40152 16.6 8.7658 -0.48108 8.5281e+05 2023-02-20 06:09:34,340 INFO [main.py:643]
{rank 0/100} MD step = 497700 step time: 00:00:00.017994 Performance: 507.484 ns/day 0.047 hours/ns 29.368 steps/s 2023-02-20 06:09:35,610 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 59.419 -33553 6512.3 -40066 -40066 16.603 8.7661 -0.48247 8.5299e+05 2023-02-20 06:09:37,514 INFO [main.py:643]
{rank 0/100} MD step = 497800 step time: 00:00:00.018040 Performance: 507.490 ns/day 0.047 hours/ns 29.369 steps/s 2023-02-20 06:09:38,756 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 497800 99560 59.805 -33573 6554.8 -40127 -40127 16.607 8.7673 -0.48271 8.5315e+05 2023-02-20 06:09:40,670 INFO [main.py:643]
{rank 0/100} MD step = 497900 step time: 00:00:00.018093 Performance: 507.498 ns/day 0.047 hours/ns 29.369 steps/s 2023-02-20 06:09:41,967 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 60.017 -33693 6577.9 -40271 -40271 16.611 8.7682 -0.4819 8.5327e+05 2023-02-20 06:09:43,885 INFO [main.py:643]
{rank 0/100} MD step = 498000 step time: 00:00:00.018117 Performance: 507.504 ns/day 0.047 hours/ns 29.369 steps/s 2023-02-20 06:09:45,247 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 59.559 -33518 6527.7 -40045 -40045 16.617 8.7696 -0.48026 8.5346e+05 2023-02-20 06:09:47,126 INFO [main.py:643]
{rank 0/100} MD step = 498100 step time: 00:00:00.017990 Performance: 507.509 ns/day 0.047 hours/ns 29.370 steps/s 2023-02-20 06:09:48,200 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 498100 99620 59.719 -33497 6545.2 -40042 -40042 16.624 8.7712 -0.47878 8.5363e+05 2023-02-20 06:09:50,265 INFO [main.py:643]
{rank 0/100} MD step = 498200 step time: 00:00:00.018123 Performance: 507.516 ns/day 0.047 hours/ns 29.370 steps/s 2023-02-20 06:09:51,707 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 60.112 -33632 6588.3 -40220 -40220 16.629 8.7728 -0.47944 8.5378e+05 2023-02-20 06:09:53,512 INFO [main.py:643]
{rank 0/100} MD step = 498300 step time: 00:00:00.017941 Performance: 507.521 ns/day 0.047 hours/ns 29.370 steps/s 2023-02-20 06:09:54,815 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 60.238 -33697 6602.2 -40299 -40299 16.633 8.7752 -0.4779 8.5396e+05 2023-02-20 06:09:56,723 INFO [main.py:643]
{rank 0/100} MD step = 498400 step time: 00:00:00.018009 Performance: 507.527 ns/day 0.047 hours/ns 29.371 steps/s 2023-02-20 06:09:58,093 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 498400 99680 60.05 -33496 6581.5 -40078 -40078 16.637 8.7787 -0.47572 8.5416e+05 2023-02-20 06:09:59,912 INFO [main.py:643]
{rank 0/100} MD step = 498500 step time: 00:00:00.018077 Performance: 507.533 ns/day 0.047 hours/ns 29.371 steps/s 2023-02-20 06:10:01,226 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 498500 99700 59.692 -33516 6542.3 -40059 -40059 16.642 8.7796 -0.47521 8.5432e+05 2023-02-20 06:10:03,105 INFO [main.py:643]
{rank 0/100} MD step = 498600 step time: 00:00:00.018053 Performance: 507.540 ns/day 0.047 hours/ns 29.372 steps/s 2023-02-20 06:10:04,451 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 60.229 -33574 6601.2 -40175 -40175 16.645 8.7817 -0.47586 8.5449e+05 2023-02-20 06:10:06,359 INFO [main.py:643]
{rank 0/100} MD step = 498700 step time: 00:00:00.018076 Performance: 507.544 ns/day 0.047 hours/ns 29.372 steps/s 2023-02-20 06:10:07,822 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 59.549 -33528 6526.6 -40054 -40054 16.651 8.7826 -0.47641 8.5467e+05 2023-02-20 06:10:09,642 INFO [main.py:643]
{rank 0/100} MD step = 498800 step time: 00:00:00.017820 Performance: 507.548 ns/day 0.047 hours/ns 29.372 steps/s 2023-02-20 06:10:10,904 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 60.036 -33595 6580 -40175 -40175 16.658 8.7849 -0.47725 8.5485e+05 2023-02-20 06:10:12,824 INFO [main.py:643]
{rank 0/100} MD step = 498900 step time: 00:00:00.018041 Performance: 507.555 ns/day 0.047 hours/ns 29.372 steps/s 2023-02-20 06:10:14,178 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 60.674 -33502 6650 -40152 -40152 16.661 8.7862 -0.47815 8.5504e+05 2023-02-20 06:10:16,105 INFO [main.py:643]
{rank 0/100} MD step = 499000 step time: 00:00:00.019004 Performance: 507.558 ns/day 0.047 hours/ns 29.373 steps/s 2023-02-20 06:10:17,486 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 59.553 -33467 6527.1 -39994 -39994 16.668 8.7878 -0.47974 8.5523e+05 2023-02-20 06:10:19,373 INFO [main.py:643]
{rank 0/100} MD step = 499100 step time: 00:00:00.018048 Performance: 507.562 ns/day 0.047 hours/ns 29.373 steps/s 2023-02-20 06:10:20,561 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 499100 99820 59.312 -33693 6500.7 -40194 -40194 16.672 8.7891 -0.47895 8.5538e+05 2023-02-20 06:10:22,554 INFO [main.py:643]
{rank 0/100} MD step = 499200 step time: 00:00:00.017842 Performance: 507.569 ns/day 0.047 hours/ns 29.373 steps/s 2023-02-20 06:10:23,685 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 499200 99840 60.275 -33345 6606.3 -39951 -39951 16.676 8.7896 -0.48007 8.5559e+05 2023-02-20 06:10:26,281 INFO [main.py:643]
{rank 0/100} MD step = 499300 step time: 00:00:00.018130 Performance: 507.559 ns/day 0.047 hours/ns 29.373 steps/s 2023-02-20 06:10:27,736 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 59.698 -33680 6542.9 -40223 -40223 16.68 8.792 -0.47984 8.5571e+05 2023-02-20 06:10:29,618 INFO [main.py:643]
{rank 0/100} MD step = 499400 step time: 00:00:00.017916 Performance: 507.561 ns/day 0.047 hours/ns 29.373 steps/s 2023-02-20 06:10:30,795 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 60.444 -33460 6624.7 -40085 -40085 16.684 8.7911 -0.47999 8.5589e+05 2023-02-20 06:10:32,783 INFO [main.py:643]
{rank 0/100} MD step = 499500 step time: 00:00:00.018198 Performance: 507.569 ns/day 0.047 hours/ns 29.373 steps/s 2023-02-20 06:10:34,145 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 60.253 -33558 6603.8 -40162 -40162 16.689 8.7934 -0.48147 8.5607e+05 2023-02-20 06:10:35,961 INFO [main.py:643]
{rank 0/100} MD step = 499600 step time: 00:00:00.018044 Performance: 507.575 ns/day 0.047 hours/ns 29.374 steps/s 2023-02-20 06:10:37,264 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 60.217 -33567 6599.8 -40167 -40167 16.695 8.7949 -0.48193 8.5626e+05 2023-02-20 06:10:39,171 INFO [main.py:643]
{rank 0/100} MD step = 499700 step time: 00:00:00.018131 Performance: 507.581 ns/day 0.047 hours/ns 29.374 steps/s 2023-02-20 06:10:40,866 INFO [file_io.py:714] {rank 0/100} step time temp tot E kin E pot E field E Px Py Pz ΔH 499700 99940 60.112 -33560 6588.4 -40149 -40149 16.697 8.798 -0.47977 8.5641e+05 2023-02-20 06:10:42,695 INFO [main.py:643]
{rank 0/100} MD step = 499800 step time: 00:00:00.017956 Performance: 507.578 ns/day 0.047 hours/ns 29.374 steps/s 2023-02-20 06:10:43,983 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 59.359 -33590 6505.9 -40095 -40095 16.703 8.8007 -0.48027 8.5659e+05 2023-02-20 06:10:45,886 INFO [main.py:643]
{rank 0/100} MD step = 499900 step time: 00:00:00.018159 Performance: 507.584 ns/day 0.047 hours/ns 29.374 steps/s 2023-02-20 06:10:47,189 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 60.584 -33525 6640 -40165 -40165 16.708 8.8017 -0.48017 8.5676e+05 2023-02-20 06:10:49,044 INFO [main.py:643]
{rank 0/100} MD step = 500000 step time: 00:00:00.017929 Performance: 507.591 ns/day 0.047 hours/ns 29.374 steps/s 2023-02-20 06:10:50,330 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 60.048 -33659 6581.4 -40241 -40241 16.714 8.803 -0.47946 8.5692e+05 2023-02-20 06:10:50,331 INFO [main.py:1143]
{rank 0/100} Elapsed time: 04:43:45.792780 Setup time: 00:00:02.900985 MD loop time: 04:43:42.891795