2024-05-07 18:15:16,739 INFO [configure_runtime.py:176] {rank 0/64} __ __ ____ __ _______ / / / /_ __/ / /__ _________ _____ ______ / |/ / __ \ / /_/ / / / / / / _ \/ ___/ __ `/ __ `/ ___/ / /|_/ / / / / / __ / /_/ / / / __/ / / /_/ / /_/ (__ ) / / / / /_/ / /_/ /_/\__, /_/_/\___/_/ \__,_/\__,_/____/ /_/ /_/_____/ /____/ Version 2.1.0 PLEASE READ AND CITE THE REFERENCES BELOW: [1] Ledum, M.; Sen, S.; Li, X.; Carrer, M.; Feng Y.; Cascella, M.; Bore, S. L. HylleraasMD: A Domain Decomposition-Based Hybrid Particle-Field Software for Multi-Scale Simulations of Soft Matter. J. Chem. Theory Comput. 2023. [2] Ledum, M.; Carrer, M.; Sen, S.; Li, X.; Cascella, M.; Bore, S. L. HyMD: Massively parallel hybrid particle-field molecular dynamics in Python. J. Open Source Softw. 8(84), 4149, 2023. [3] Sen, S.; Ledum, M.; Bore, S. L.; Cascella, M. Soft Matter under Pressure: Pushing Particle–Field Molecular Dynamics to the Isobaric Ensemble. J Chem Inf Model 2023, 63(7), 1549-9596. [4] Bore, S. L.; Cascella, M. Hamiltonian and alias-free hybrid particle–field molecular dynamics. J. Chem. Phys. 2020, 153, 094106. [5] Pippig, M. PFFT: An extension of FFTW to massively parallel architectures. SIAM J. Sci. Comput. 2013, 35, C213–C236. 2024-05-07 18:15:16,741 INFO [configure_runtime.py:200] {rank 0/64} Attempting to parse config file out_tempseries_test/a=11.60/T=160/config.tomli as .toml 2024-05-07 18:15:16,744 INFO [configure_runtime.py:222] {rank 0/64} Successfully parsed out_tempseries_test/a=11.60/T=160/config.tomli as .toml file 2024-05-07 18:15:16,744 INFO [configure_runtime.py:226] {rank 0/64} Config: /cluster/work/jobs/887087/out_tempseries_test/a=11.60/T=160/config.tomli -------------------------------------------------- n_steps: 500000 time_step: 0.2 mesh_size: [376, 376, 376] sigma: 0 kappa: 1000000 dtype: None box_size: [15.08, 15.08, 15.08] n_print: 100 tau: 0.01 start_temperature: 160 target_temperature: 160 mass: 39.948 hamiltonian: DefaultWithChi domain_decomposition: None integrator: velocity-verlet respa_inner: 1 file_name: /cluster/work/jobs/887087/out_tempseries_test/a=11.60/T=160/config.tomli name: monoatomic fcc lattice tags: ['mono', 'crystal', 'lattice'] n_particles: 8788 max_molecule_size: 1 n_flush: 4 thermostat_work: 0.0 initial_energy: None cancel_com_momentum: False coulombtype: None convergence_type: None pol_mixing: None dielectric_const: None conv_crit: None dielectric_type: [] self_energy: None type_charges: [] rho0: None a: None pressure: False barostat: None barostat_type: None tau_p: None n_b: None m: [] filter: lj filter_param: [1.1508, 0.1028, -0.6886, 0.2152] command_line_full: /cluster/projects/nn4654k/cascella_group/new_mgcm/HyMD-dev/hymd/__main__.py out_tempseries_test/a=11.60/T=160/config.tomli out_tempseries_test/a=11.60/T=160/input.h5 --logfile=log.txt --verbose 2 --velocity-output --destdir out_tempseries_test/a=11.60/T=160 --disable-bonds target_pressure: P_L: None P_N: None bonds: angle_bonds: dihedrals: chi: H H: 1.0 2024-05-07 18:15:19,000 WARNING [input_parser.py:1152] {rank 0/64} config.n_b not specified.Defaulting to 1 2024-05-07 18:15:19,084 INFO [thermostat.py:36] {rank 0/64} Initialized 8788 velocities, target kinetic energy: 17536.198304351998, actual kinetic energy generated: 17536.19720229721 2024-05-07 18:15:20,412 INFO [main.py:252]
{rank 0/64} pfft-python processor mesh: (8, 8) 2024-05-07 18:15:39,245 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 0 0 160 -16894 17536 -34430 -34430 0.0012572 -0.00060956 -0.00056194 0 2024-05-07 18:15:39,245 INFO [main.py:766]
{rank 0/64} MD step = 1 2024-05-07 18:16:19,312 INFO [main.py:798]
{rank 0/64} MD step = 100 step time: 00:00:00.401024 Performance: 43.559 ns/day 0.551 hours/ns 2.521 steps/s 2024-05-07 18:16:28,551 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100 20 159.82 456.39 17516 -17060 -17060 0.0026668 -0.00060956 0.0013715 2226.6 2024-05-07 18:17:08,746 INFO [main.py:798]
{rank 0/64} MD step = 200 step time: 00:00:00.374487 Performance: 38.807 ns/day 0.618 hours/ns 2.246 steps/s 2024-05-07 18:17:38,889 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200 40 158.59 3867.5 17381 -13514 -13514 0.0048955 0.0028383 0.0022954 2361.9 2024-05-07 18:18:19,382 INFO [main.py:798]
{rank 0/64} MD step = 300 step time: 00:00:00.397623 Performance: 32.480 ns/day 0.739 hours/ns 1.880 steps/s 2024-05-07 18:18:25,414 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300 60 158.08 6234.1 17326 -11092 -11092 0.011105 0.0075052 0.0036764 2471.6 2024-05-07 18:19:05,512 INFO [main.py:798]
{rank 0/64} MD step = 400 step time: 00:00:00.412450 Performance: 33.594 ns/day 0.714 hours/ns 1.944 steps/s 2024-05-07 18:19:14,279 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400 80 161.15 7513.3 17662 -10149 -10149 0.015287 0.012648 0.0071623 2568.8 2024-05-07 18:19:53,267 INFO [main.py:798]
{rank 0/64} MD step = 500 step time: 00:00:00.432158 Performance: 34.081 ns/day 0.704 hours/ns 1.972 steps/s 2024-05-07 18:19:59,059 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 500 100 161.35 8034.4 17684 -9649.6 -9649.6 0.021696 0.017544 0.0070861 2606.8 2024-05-07 18:20:39,703 INFO [main.py:798]
{rank 0/64} MD step = 600 step time: 00:00:00.378387 Performance: 34.565 ns/day 0.694 hours/ns 2.000 steps/s 2024-05-07 18:20:45,835 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 600 120 159.56 7792.2 17487 -9695.3 -9695.3 0.025935 0.023525 0.009991 2631.5 2024-05-07 18:21:26,351 INFO [main.py:798]
{rank 0/64} MD step = 700 step time: 00:00:00.399570 Performance: 34.898 ns/day 0.688 hours/ns 2.020 steps/s 2024-05-07 18:21:32,283 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 700 140 161.08 8268.2 17655 -9386.4 -9386.4 0.030706 0.028573 0.014458 2697.2 2024-05-07 18:22:12,995 INFO [main.py:798]
{rank 0/64} MD step = 800 step time: 00:00:00.388006 Performance: 35.152 ns/day 0.683 hours/ns 2.034 steps/s 2024-05-07 18:22:20,310 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 800 160 159.16 8052.6 17444 -9391.3 -9391.3 0.034192 0.034211 0.017982 2724.2 2024-05-07 18:23:00,778 INFO [main.py:798]
{rank 0/64} MD step = 900 step time: 00:00:00.368472 Performance: 35.262 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-07 18:23:07,146 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 900 180 160.69 8282.7 17611 -9328.7 -9328.7 0.039774 0.037793 0.019677 2784.6 2024-05-07 18:23:47,650 INFO [main.py:798]
{rank 0/64} MD step = 1000 step time: 00:00:00.375830 Performance: 35.416 ns/day 0.678 hours/ns 2.050 steps/s 2024-05-07 18:23:55,995 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1000 200 161.25 8429.8 17673 -9243.6 -9243.6 0.043545 0.042479 0.02242 2843.7 2024-05-07 18:24:36,688 INFO [main.py:798]
{rank 0/64} MD step = 1100 step time: 00:00:00.396588 Performance: 35.400 ns/day 0.678 hours/ns 2.049 steps/s 2024-05-07 18:24:42,100 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1100 220 161.24 8477.6 17672 -9194.3 -9194.3 0.049479 0.046822 0.024078 2886.9 2024-05-07 18:25:22,697 INFO [main.py:798]
{rank 0/64} MD step = 1200 step time: 00:00:00.343088 Performance: 35.570 ns/day 0.675 hours/ns 2.058 steps/s 2024-05-07 18:25:28,382 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1200 240 159.75 8253.4 17509 -9255.2 -9255.2 0.054098 0.050289 0.02743 2959.9 2024-05-07 18:26:08,032 INFO [main.py:798]
{rank 0/64} MD step = 1300 step time: 00:00:00.365299 Performance: 35.753 ns/day 0.671 hours/ns 2.069 steps/s 2024-05-07 18:26:13,377 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1300 260 160.37 8410.2 17577 -9167.1 -9167.1 0.058994 0.05726 0.028487 2999.5 2024-05-07 18:26:53,549 INFO [main.py:798]
{rank 0/64} MD step = 1400 step time: 00:00:00.373434 Performance: 35.903 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-07 18:26:58,698 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1400 280 160.24 8306.9 17562 -9255.4 -9255.4 0.063813 0.064118 0.032078 3041.1 2024-05-07 18:27:38,398 INFO [main.py:798]
{rank 0/64} MD step = 1500 step time: 00:00:00.367630 Performance: 36.066 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-07 18:27:43,290 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1500 300 159.95 8334 17531 -9196.8 -9196.8 0.070252 0.068575 0.036154 3093.8 2024-05-07 18:28:24,545 INFO [main.py:798]
{rank 0/64} MD step = 1600 step time: 00:00:00.387664 Performance: 36.150 ns/day 0.664 hours/ns 2.092 steps/s 2024-05-07 18:28:30,484 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1600 320 160.17 8376.7 17555 -9178.6 -9178.6 0.075433 0.073395 0.037831 3133.2 2024-05-07 18:29:11,385 INFO [main.py:798]
{rank 0/64} MD step = 1700 step time: 00:00:00.376135 Performance: 36.192 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-07 18:29:27,516 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1700 340 158.1 8031.6 17328 -9296.5 -9296.5 0.080005 0.078309 0.040307 3146.4 2024-05-07 18:30:07,917 INFO [main.py:798]
{rank 0/64} MD step = 1800 step time: 00:00:00.369154 Performance: 35.826 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-07 18:30:13,817 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1800 360 158.83 8249.5 17408 -9158.2 -9158.2 0.083976 0.085186 0.042326 3210.2 2024-05-07 18:30:54,262 INFO [main.py:798]
{rank 0/64} MD step = 1900 step time: 00:00:00.351452 Performance: 35.900 ns/day 0.669 hours/ns 2.078 steps/s 2024-05-07 18:31:04,548 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 1900 380 160.07 8337.2 17544 -9206.5 -9206.5 0.086557 0.09071 0.042364 3228.8 2024-05-07 18:31:45,593 INFO [main.py:798]
{rank 0/64} MD step = 2000 step time: 00:00:00.387292 Performance: 35.781 ns/day 0.671 hours/ns 2.071 steps/s 2024-05-07 18:31:56,831 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2000 400 162.04 8608.7 17760 -9151 -9151 0.092805 0.093986 0.043412 3277.3 2024-05-07 18:32:36,972 INFO [main.py:798]
{rank 0/64} MD step = 2100 step time: 00:00:00.412179 Performance: 35.673 ns/day 0.673 hours/ns 2.064 steps/s 2024-05-07 18:32:42,681 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2100 420 159.67 8291 17500 -9208.9 -9208.9 0.096415 0.098106 0.046231 3315.6 2024-05-07 18:33:23,344 INFO [main.py:798]
{rank 0/64} MD step = 2200 step time: 00:00:00.393674 Performance: 35.742 ns/day 0.671 hours/ns 2.068 steps/s 2024-05-07 18:33:28,942 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2200 440 159.83 8287.1 17518 -9230.5 -9230.5 0.10267 0.10416 0.04766 3358.1 2024-05-07 18:34:08,566 INFO [main.py:798]
{rank 0/64} MD step = 2300 step time: 00:00:00.363490 Performance: 35.843 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-07 18:34:16,913 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2300 460 160.27 8391.4 17566 -9174.4 -9174.4 0.10774 0.10793 0.05067 3423.6 2024-05-07 18:34:58,650 INFO [main.py:798]
{rank 0/64} MD step = 2400 step time: 00:00:00.406763 Performance: 35.785 ns/day 0.671 hours/ns 2.071 steps/s 2024-05-07 18:35:05,426 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2400 480 162.29 8523.1 17787 -9263.6 -9263.6 0.11282 0.11395 0.054174 3429.9 2024-05-07 18:35:45,256 INFO [main.py:798]
{rank 0/64} MD step = 2500 step time: 00:00:00.395780 Performance: 35.835 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-07 18:35:53,064 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2500 500 161.06 8514 17652 -9138.1 -9138.1 0.11867 0.11803 0.056041 3494.7 2024-05-07 18:36:33,824 INFO [main.py:798]
{rank 0/64} MD step = 2600 step time: 00:00:00.394899 Performance: 35.825 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-07 18:36:43,493 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2600 520 160.06 8473.5 17543 -9069.1 -9069.1 0.12389 0.12321 0.058922 3558 2024-05-07 18:37:24,461 INFO [main.py:798]
{rank 0/64} MD step = 2700 step time: 00:00:00.401081 Performance: 35.759 ns/day 0.671 hours/ns 2.069 steps/s 2024-05-07 18:37:31,092 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2700 540 161.91 8526.7 17745 -9218.5 -9218.5 0.13045 0.12953 0.061699 3612.4 2024-05-07 18:38:09,234 INFO [main.py:798]
{rank 0/64} MD step = 2800 step time: 00:00:00.383636 Performance: 35.853 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-07 18:38:16,339 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2800 560 159.04 8209.7 17431 -9221.2 -9221.2 0.13475 0.13454 0.062975 3654.5 2024-05-07 18:38:54,672 INFO [main.py:798]
{rank 0/64} MD step = 2900 step time: 00:00:00.370805 Performance: 35.924 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-07 18:39:03,840 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 2900 580 160.74 8444.1 17618 -9173.7 -9173.7 0.13989 0.14047 0.064004 3691.2 2024-05-07 18:39:44,386 INFO [main.py:798]
{rank 0/64} MD step = 3000 step time: 00:00:00.378060 Performance: 35.884 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-07 18:39:51,968 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3000 600 162.57 8608.1 17817 -9209.3 -9209.3 0.14618 0.14721 0.06808 3762.9 2024-05-07 18:40:32,439 INFO [main.py:798]
{rank 0/64} MD step = 3100 step time: 00:00:00.419992 Performance: 35.886 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-07 18:40:39,421 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3100 620 156.11 7973.8 17110 -9135.9 -9135.9 0.15137 0.15136 0.071661 3818.5 2024-05-07 18:41:20,110 INFO [main.py:798]
{rank 0/64} MD step = 3200 step time: 00:00:00.386129 Performance: 35.898 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-07 18:41:26,477 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3200 640 161.04 8430 17650 -9219.9 -9219.9 0.15515 0.15911 0.073528 3843 2024-05-07 18:42:08,513 INFO [main.py:798]
{rank 0/64} MD step = 3300 step time: 00:00:00.415701 Performance: 35.892 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-07 18:42:16,563 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3300 660 158.05 8050.3 17322 -9272.1 -9272.1 0.16079 0.1642 0.076166 3904.1 2024-05-07 18:42:55,320 INFO [main.py:798]
{rank 0/64} MD step = 3400 step time: 00:00:00.394549 Performance: 35.921 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-07 18:43:04,220 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3400 680 160.36 8360 17576 -9216.2 -9216.2 0.16413 0.17059 0.080328 3933.6 2024-05-07 18:43:45,373 INFO [main.py:798]
{rank 0/64} MD step = 3500 step time: 00:00:00.395730 Performance: 35.879 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-07 18:43:51,453 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3500 700 160.48 8396.3 17589 -9192.7 -9192.7 0.16904 0.17565 0.0805 3980.8 2024-05-07 18:44:32,459 INFO [main.py:798]
{rank 0/64} MD step = 3600 step time: 00:00:00.403169 Performance: 35.902 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-07 18:44:38,519 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3600 720 161.49 8569.8 17699 -9129.2 -9129.2 0.17313 0.18199 0.083214 4042.8 2024-05-07 18:45:17,785 INFO [main.py:798]
{rank 0/64} MD step = 3700 step time: 00:00:00.409310 Performance: 35.958 ns/day 0.667 hours/ns 2.081 steps/s 2024-05-07 18:45:22,998 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3700 740 160.15 8187.3 17552 -9365.2 -9365.2 0.17767 0.18738 0.084348 4100.7 2024-05-07 18:46:04,649 INFO [main.py:798]
{rank 0/64} MD step = 3800 step time: 00:00:00.405667 Performance: 35.982 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-07 18:46:10,984 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3800 760 159.5 8294.1 17481 -9187.2 -9187.2 0.18247 0.19243 0.087367 4161.1 2024-05-07 18:46:49,644 INFO [main.py:798]
{rank 0/64} MD step = 3900 step time: 00:00:00.406100 Performance: 36.040 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-07 18:46:57,589 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 3900 780 160.33 8358.6 17572 -9213.6 -9213.6 0.18828 0.19773 0.090291 4215.5 2024-05-07 18:47:38,143 INFO [main.py:798]
{rank 0/64} MD step = 4000 step time: 00:00:00.400550 Performance: 36.030 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-07 18:47:44,888 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4000 800 157.82 8089 17297 -9208.5 -9208.5 0.19193 0.20199 0.090958 4258.2 2024-05-07 18:48:25,103 INFO [main.py:798]
{rank 0/64} MD step = 4100 step time: 00:00:00.394622 Performance: 36.048 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-07 18:48:32,330 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4100 820 162.15 8505.2 17772 -9266.8 -9266.8 0.1971 0.20736 0.094272 4292.3 2024-05-07 18:49:12,936 INFO [main.py:798]
{rank 0/64} MD step = 4200 step time: 00:00:00.368164 Performance: 36.050 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-07 18:49:19,516 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4200 840 156.8 8008.1 17185 -9176.8 -9176.8 0.20274 0.21285 0.096577 4332.3 2024-05-07 18:50:00,336 INFO [main.py:798]
{rank 0/64} MD step = 4300 step time: 00:00:00.366386 Performance: 36.059 ns/day 0.666 hours/ns 2.087 steps/s 2024-05-07 18:50:07,422 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4300 860 159.86 8266.5 17520 -9253.9 -9253.9 0.20881 0.21834 0.10122 4368.6 2024-05-07 18:50:47,599 INFO [main.py:798]
{rank 0/64} MD step = 4400 step time: 00:00:00.412995 Performance: 36.070 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-07 18:50:53,898 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4400 880 158.49 8164.6 17371 -9206.1 -9206.1 0.21396 0.22299 0.10237 4450.9 2024-05-07 18:51:32,675 INFO [main.py:798]
{rank 0/64} MD step = 4500 step time: 00:00:00.448210 Performance: 36.118 ns/day 0.664 hours/ns 2.090 steps/s 2024-05-07 18:51:41,049 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4500 900 160.12 8246.8 17550 -9303.1 -9303.1 0.21724 0.22706 0.10442 4468.7 2024-05-07 18:52:22,078 INFO [main.py:798]
{rank 0/64} MD step = 4600 step time: 00:00:00.434277 Performance: 36.092 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-07 18:52:28,673 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4600 920 162.3 8535.8 17789 -9253 -9253 0.22216 0.23081 0.10804 4505.3 2024-05-07 18:53:09,149 INFO [main.py:798]
{rank 0/64} MD step = 4700 step time: 00:00:00.405070 Performance: 36.105 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-07 18:53:16,903 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4700 940 159.68 8400.4 17501 -9100.8 -9100.8 0.22752 0.23666 0.11073 4572.7 2024-05-07 18:53:55,551 INFO [main.py:798]
{rank 0/64} MD step = 4800 step time: 00:00:00.412741 Performance: 36.128 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-07 18:54:03,466 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4800 960 161.31 8551.8 17680 -9127.8 -9127.8 0.2317 0.24369 0.11467 4615.7 2024-05-07 18:54:43,628 INFO [main.py:798]
{rank 0/64} MD step = 4900 step time: 00:00:00.397026 Performance: 36.124 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-07 18:54:49,673 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 4900 980 158.36 8070.9 17357 -9285.6 -9285.6 0.23596 0.24994 0.11837 4664.9 2024-05-07 18:55:31,080 INFO [main.py:798]
{rank 0/64} MD step = 5000 step time: 00:00:00.423894 Performance: 36.130 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-07 18:55:37,687 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5000 1000 161.17 8387.6 17664 -9276.7 -9276.7 0.24026 0.2551 0.12104 4705.4 2024-05-07 18:56:17,060 INFO [main.py:798]
{rank 0/64} MD step = 5100 step time: 00:00:00.428807 Performance: 36.157 ns/day 0.664 hours/ns 2.092 steps/s 2024-05-07 18:56:24,990 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5100 1020 159.48 8311.4 17479 -9167.7 -9167.7 0.24592 0.26001 0.12313 4762.5 2024-05-07 18:57:05,786 INFO [main.py:798]
{rank 0/64} MD step = 5200 step time: 00:00:00.417615 Performance: 36.144 ns/day 0.664 hours/ns 2.092 steps/s 2024-05-07 18:57:15,099 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5200 1040 160.3 8382.2 17570 -9187.3 -9187.3 0.25222 0.26339 0.12601 4789.2 2024-05-07 18:57:54,348 INFO [main.py:798]
{rank 0/64} MD step = 5300 step time: 00:00:00.394321 Performance: 36.133 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-07 18:58:00,099 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5300 1060 162.86 8590.6 17850 -9259.5 -9259.5 0.2571 0.26792 0.12732 4823.1 2024-05-07 18:58:39,902 INFO [main.py:798]
{rank 0/64} MD step = 5400 step time: 00:00:00.401070 Performance: 36.165 ns/day 0.664 hours/ns 2.093 steps/s 2024-05-07 18:58:46,443 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5400 1080 159.89 8328.8 17525 -9195.8 -9195.8 0.26236 0.27316 0.12931 4864.5 2024-05-07 18:59:26,655 INFO [main.py:798]
{rank 0/64} MD step = 5500 step time: 00:00:00.415261 Performance: 36.179 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-07 18:59:32,953 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5500 1100 161.23 8488.7 17671 -9182.5 -9182.5 0.26763 0.27628 0.13275 4907.9 2024-05-07 19:00:12,862 INFO [main.py:798]
{rank 0/64} MD step = 5600 step time: 00:00:00.431624 Performance: 36.200 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-07 19:00:20,898 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5600 1120 159.91 8348.7 17526 -9177.2 -9177.2 0.27114 0.28207 0.13646 4932.7 2024-05-07 19:00:59,774 INFO [main.py:798]
{rank 0/64} MD step = 5700 step time: 00:00:00.416533 Performance: 36.211 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-07 19:01:05,716 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5700 1140 158 8184.9 17317 -9132 -9132 0.27735 0.28767 0.14003 4987.1 2024-05-07 19:01:45,886 INFO [main.py:798]
{rank 0/64} MD step = 5800 step time: 00:00:00.378770 Performance: 36.232 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-07 19:01:51,942 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5800 1160 158.23 8133.4 17343 -9209.3 -9209.3 0.2824 0.29545 0.14178 5032.7 2024-05-07 19:02:31,997 INFO [main.py:798]
{rank 0/64} MD step = 5900 step time: 00:00:00.371742 Performance: 36.252 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-07 19:02:38,289 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 5900 1180 158.48 8235.2 17370 -9135 -9135 0.28984 0.29975 0.14607 5070 2024-05-07 19:03:18,461 INFO [main.py:798]
{rank 0/64} MD step = 6000 step time: 00:00:00.355301 Performance: 36.268 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-07 19:03:26,778 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6000 1200 160.08 8299.1 17545 -9245.4 -9245.4 0.29487 0.30668 0.15003 5116.2 2024-05-07 19:04:07,047 INFO [main.py:798]
{rank 0/64} MD step = 6100 step time: 00:00:00.366645 Performance: 36.256 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-07 19:04:13,445 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6100 1220 158.12 8232.3 17330 -9097.6 -9097.6 0.30019 0.3111 0.15247 5140.7 2024-05-07 19:04:53,816 INFO [main.py:798]
{rank 0/64} MD step = 6200 step time: 00:00:00.415003 Performance: 36.267 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-07 19:05:00,362 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6200 1240 157.3 8030.1 17241 -9210.4 -9210.4 0.30623 0.31427 0.15628 5178.1 2024-05-07 19:05:39,490 INFO [main.py:798]
{rank 0/64} MD step = 6300 step time: 00:00:00.420143 Performance: 36.291 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-07 19:05:51,208 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6300 1260 161.01 8595.8 17647 -9050.7 -9050.7 0.30973 0.31931 0.16055 5227.6 2024-05-07 19:06:31,288 INFO [main.py:798]
{rank 0/64} MD step = 6400 step time: 00:00:00.434255 Performance: 36.241 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-07 19:06:39,749 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6400 1280 159.23 8223.6 17452 -9228.7 -9228.7 0.31479 0.32455 0.16321 5276.4 2024-05-07 19:07:19,403 INFO [main.py:798]
{rank 0/64} MD step = 6500 step time: 00:00:00.403230 Performance: 36.236 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-07 19:07:25,296 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6500 1300 159.42 8283.2 17473 -9189.8 -9189.8 0.32 0.32985 0.1643 5310.3 2024-05-07 19:08:06,580 INFO [main.py:798]
{rank 0/64} MD step = 6600 step time: 00:00:00.418072 Performance: 36.242 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-07 19:08:13,150 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6600 1320 160.55 8426.8 17596 -9169.6 -9169.6 0.32526 0.33604 0.16839 5362 2024-05-07 19:08:53,837 INFO [main.py:798]
{rank 0/64} MD step = 6700 step time: 00:00:00.405891 Performance: 36.247 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-07 19:09:02,028 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6700 1340 158.84 8143.9 17409 -9265.4 -9265.4 0.32928 0.33994 0.17269 5380.1 2024-05-07 19:09:40,716 INFO [main.py:798]
{rank 0/64} MD step = 6800 step time: 00:00:00.383404 Performance: 36.256 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-07 19:09:49,469 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6800 1360 160.75 8432.8 17618 -9185.3 -9185.3 0.33263 0.34436 0.17363 5440.7 2024-05-07 19:10:31,324 INFO [main.py:798]
{rank 0/64} MD step = 6900 step time: 00:00:00.384556 Performance: 36.223 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-07 19:10:36,617 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 6900 1380 158.77 8134.1 17401 -9267.3 -9267.3 0.33586 0.34912 0.17685 5483.9 2024-05-07 19:11:17,752 INFO [main.py:798]
{rank 0/64} MD step = 7000 step time: 00:00:00.356529 Performance: 36.237 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-07 19:11:23,793 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7000 1400 159.21 8399.3 17450 -9050.4 -9050.4 0.34018 0.35528 0.17856 5546 2024-05-07 19:12:05,110 INFO [main.py:798]
{rank 0/64} MD step = 7100 step time: 00:00:00.410834 Performance: 36.240 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-07 19:12:10,878 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7100 1420 159.56 8286.6 17488 -9201.2 -9201.2 0.34646 0.35842 0.18275 5576.5 2024-05-07 19:12:49,784 INFO [main.py:798]
{rank 0/64} MD step = 7200 step time: 00:00:00.387181 Performance: 36.272 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-07 19:13:19,543 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7200 1440 160.87 8586.9 17631 -9044.2 -9044.2 0.35053 0.36547 0.18512 5665 2024-05-07 19:13:59,704 INFO [main.py:798]
{rank 0/64} MD step = 7300 step time: 00:00:00.406285 Performance: 36.041 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-07 19:14:13,779 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7300 1460 158.47 8228.2 17368 -9140 -9140 0.35501 0.37052 0.18639 5705.4 2024-05-07 19:14:54,288 INFO [main.py:798]
{rank 0/64} MD step = 7400 step time: 00:00:00.388643 Performance: 35.974 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-07 19:15:07,574 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7400 1480 160.99 8390.9 17645 -9253.6 -9253.6 0.35993 0.37524 0.1879 5746.4 2024-05-07 19:15:48,047 INFO [main.py:798]
{rank 0/64} MD step = 7500 step time: 00:00:00.408011 Performance: 35.917 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-07 19:15:56,163 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7500 1500 161.31 8552.9 17680 -9127 -9127 0.36387 0.38132 0.19032 5808.7 2024-05-07 19:16:37,664 INFO [main.py:798]
{rank 0/64} MD step = 7600 step time: 00:00:00.429008 Performance: 35.902 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-07 19:16:43,635 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7600 1520 158.52 8070.5 17374 -9303.8 -9303.8 0.36892 0.38783 0.19369 5859.7 2024-05-07 19:17:23,426 INFO [main.py:798]
{rank 0/64} MD step = 7700 step time: 00:00:00.401037 Performance: 35.925 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-07 19:17:29,560 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7700 1540 160.92 8459.7 17637 -9177.4 -9177.4 0.37534 0.39195 0.19443 5861.2 2024-05-07 19:18:11,057 INFO [main.py:798]
{rank 0/64} MD step = 7800 step time: 00:00:00.395401 Performance: 35.930 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-07 19:18:20,425 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7800 1560 159.02 8211.3 17428 -9217.1 -9217.1 0.37835 0.39751 0.19693 5914.5 2024-05-07 19:19:00,729 INFO [main.py:798]
{rank 0/64} MD step = 7900 step time: 00:00:00.414113 Performance: 35.915 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-07 19:19:08,877 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 7900 1580 158.71 8155.6 17394 -9238.8 -9238.8 0.38318 0.40265 0.19902 5968.7 2024-05-07 19:19:49,751 INFO [main.py:798]
{rank 0/64} MD step = 8000 step time: 00:00:00.402592 Performance: 35.906 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-07 19:19:54,796 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8000 1600 160 8320 17536 -9215.8 -9215.8 0.38838 0.40852 0.20047 6026.9 2024-05-07 19:20:35,206 INFO [main.py:798]
{rank 0/64} MD step = 8100 step time: 00:00:00.386792 Performance: 35.931 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-07 19:20:41,635 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8100 1620 159.27 8314 17456 -9141.9 -9141.9 0.39496 0.41332 0.20161 6070.7 2024-05-07 19:21:21,696 INFO [main.py:798]
{rank 0/64} MD step = 8200 step time: 00:00:00.419450 Performance: 35.945 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-07 19:21:27,615 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8200 1640 161.3 8539.3 17678 -9139 -9139 0.39995 0.4193 0.20273 6075.6 2024-05-07 19:22:07,372 INFO [main.py:798]
{rank 0/64} MD step = 8300 step time: 00:00:00.392213 Performance: 35.967 ns/day 0.667 hours/ns 2.081 steps/s 2024-05-07 19:22:22,370 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8300 1660 156.29 7898 17129 -9231.1 -9231.1 0.40534 0.42532 0.205 6130.4 2024-05-07 19:23:01,387 INFO [main.py:798]
{rank 0/64} MD step = 8400 step time: 00:00:00.432997 Performance: 35.914 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-07 19:23:07,952 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8400 1680 159.75 8355.4 17509 -9153.3 -9153.3 0.41086 0.42863 0.20607 6169.8 2024-05-07 19:23:47,657 INFO [main.py:798]
{rank 0/64} MD step = 8500 step time: 00:00:00.435633 Performance: 35.930 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-07 19:23:54,464 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8500 1700 161.85 8594.1 17739 -9144.8 -9144.8 0.41741 0.4353 0.20566 6232.4 2024-05-07 19:24:34,513 INFO [main.py:798]
{rank 0/64} MD step = 8600 step time: 00:00:00.403148 Performance: 35.941 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-07 19:24:41,096 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8600 1720 158.06 8114.4 17323 -9209 -9209 0.42528 0.43976 0.20687 6277.7 2024-05-07 19:25:21,116 INFO [main.py:798]
{rank 0/64} MD step = 8700 step time: 00:00:00.409095 Performance: 35.954 ns/day 0.668 hours/ns 2.081 steps/s 2024-05-07 19:25:30,110 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8700 1740 160.53 8352.5 17594 -9241.4 -9241.4 0.42966 0.44479 0.20941 6335.9 2024-05-07 19:26:10,580 INFO [main.py:798]
{rank 0/64} MD step = 8800 step time: 00:00:00.401600 Performance: 35.942 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-07 19:26:18,450 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8800 1760 161.91 8495.4 17745 -9249.7 -9249.7 0.4363 0.45065 0.21298 6372 2024-05-07 19:26:57,522 INFO [main.py:798]
{rank 0/64} MD step = 8900 step time: 00:00:00.403834 Performance: 35.951 ns/day 0.668 hours/ns 2.081 steps/s 2024-05-07 19:27:05,092 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 8900 1780 160.98 8589.4 17643 -9053.9 -9053.9 0.44137 0.45502 0.21535 6452.2 2024-05-07 19:27:44,743 INFO [main.py:798]
{rank 0/64} MD step = 9000 step time: 00:00:00.396193 Performance: 35.958 ns/day 0.667 hours/ns 2.081 steps/s 2024-05-07 19:27:50,298 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 9000 1800 162.01 8556.6 17756 -9199.7 -9199.7 0.44727 0.46121 0.21812 6501.7 2024-05-07 19:28:29,826 INFO [main.py:798]
{rank 0/64} MD step = 9100 step time: 00:00:00.401708 Performance: 35.983 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-07 19:28:37,477 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 9100 1820 158.74 8293.7 17398 -9104 -9104 0.45129 0.46715 0.22011 6530.7 2024-05-07 19:29:17,515 INFO [main.py:798]
{rank 0/64} MD step = 9200 step time: 00:00:00.415342 Performance: 35.985 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-07 19:29:25,726 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 9200 1840 159.6 8382.3 17492 -9110 -9110 0.45625 0.47094 0.22229 6560.5 2024-05-07 19:30:05,398 INFO [main.py:798]
{rank 0/64} MD step = 9300 step time: 00:00:00.397271 Performance: 35.987 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-07 19:30:12,451 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 9300 1860 160.32 8439.1 17571 -9132.4 -9132.4 0.46086 0.47494 0.22579 6622.9 2024-05-07 19:30:53,517 INFO [main.py:798]
{rank 0/64} MD step = 9400 step time: 00:00:00.398164 Performance: 35.986 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-07 19:30:58,936 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 9400 1880 159.34 8307.1 17464 -9156.8 -9156.8 0.46566 0.48067 0.23083 6628.9 2024-05-07 19:31:38,365 INFO [main.py:798]
{rank 0/64} MD step = 9500 step time: 00:00:00.402575 Performance: 36.011 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-07 19:31:47,155 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 9500 1900 158.59 8199.6 17382 -9182 -9182 0.46892 0.48551 0.23285 6692.8 2024-05-07 19:32:26,970 INFO [main.py:798]
{rank 0/64} MD step = 9600 step time: 00:00:00.424816 Performance: 36.006 ns/day 0.667 hours/ns 2.084 steps/s 2024-05-07 19:32:34,844 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 9600 1920 159.37 8321 17467 -9146.4 -9146.4 0.47344 0.49277 0.23426 6702.7 2024-05-07 19:33:14,460 INFO [main.py:798]
{rank 0/64} MD step = 9700 step time: 00:00:00.411282 Performance: 36.010 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-07 19:33:22,546 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 9700 1940 162.27 8539.3 17785 -9245.8 -9245.8 0.47827 0.49633 0.23841 6742.5 2024-05-07 19:34:02,493 INFO [main.py:798]
{rank 0/64} MD step = 9800 step time: 00:00:00.401631 Performance: 36.009 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-07 19:34:10,966 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 9800 1960 160.89 8488.1 17634 -9145.6 -9145.6 0.48353 0.49911 0.24081 6816.5 2024-05-07 19:34:51,390 INFO [main.py:798]
{rank 0/64} MD step = 9900 step time: 00:00:00.389006 Performance: 36.003 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-07 19:34:57,642 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 9900 1980 160.17 8330.1 17555 -9224.5 -9224.5 0.48687 0.50431 0.24288 6854.7 2024-05-07 19:35:36,201 INFO [main.py:798]
{rank 0/64} MD step = 10000 step time: 00:00:00.409849 Performance: 36.026 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-07 19:35:42,430 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 10000 2000 159.78 8221 17512 -9291.1 -9291.1 0.48848 0.51138 0.24558 6912.2 2024-05-07 19:36:22,789 INFO [main.py:798]
{rank 0/64} MD step = 10100 step time: 00:00:00.404914 Performance: 36.037 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-07 19:36:29,569 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 10100 2020 158.89 8234.1 17415 -9181 -9181 0.4913 0.51691 0.24798 6946.4 2024-05-07 19:37:09,785 INFO [main.py:798]
{rank 0/64} MD step = 10200 step time: 00:00:00.403238 Performance: 36.044 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-07 19:37:20,422 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 10200 2040 159.24 8309.5 17452 -9142.9 -9142.9 0.49725 0.52178 0.25015 6979.7 2024-05-07 19:38:01,138 INFO [main.py:798]
{rank 0/64} MD step = 10300 step time: 00:00:00.410858 Performance: 36.019 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-07 19:38:07,830 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 10300 2060 161.58 8490.4 17709 -9218.4 -9218.4 0.50338 0.5254 0.25169 7020.2 2024-05-07 19:38:50,083 INFO [main.py:798]
{rank 0/64} MD step = 10400 step time: 00:00:00.422949 Performance: 36.012 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-07 19:38:59,173 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 10400 2080 159.73 8240.5 17507 -9266.6 -9266.6 0.50986 0.53096 0.25474 7091 2024-05-07 19:39:38,711 INFO [main.py:798]
{rank 0/64} MD step = 10500 step time: 00:00:00.370697 Performance: 36.007 ns/day 0.667 hours/ns 2.084 steps/s 2024-05-07 19:39:45,240 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 10500 2100 159.61 8333.9 17493 -9159.5 -9159.5 0.51283 0.53411 0.2548 7144.2 2024-05-07 19:40:25,976 INFO [main.py:798]
{rank 0/64} MD step = 10600 step time: 00:00:00.422063 Performance: 36.012 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-07 19:40:32,311 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 10600 2120 158.63 8063.5 17386 -9322.6 -9322.6 0.51786 0.53976 0.25723 7199.5 2024-05-07 19:41:12,354 INFO [main.py:798]
{rank 0/64} MD step = 10700 step time: 00:00:00.394330 Performance: 36.024 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-07 19:41:20,681 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 10700 2140 161.27 8576 17675 -9099 -9099 0.52281 0.54375 0.26042 7265.5 2024-05-07 19:42:00,367 INFO [main.py:798]
{rank 0/64} MD step = 10800 step time: 00:00:00.368817 Performance: 36.023 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-07 19:42:07,440 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 10800 2160 159.43 8325.3 17474 -9148.3 -9148.3 0.52839 0.54898 0.2628 7286.2 2024-05-07 19:42:47,546 INFO [main.py:798]
{rank 0/64} MD step = 10900 step time: 00:00:00.405671 Performance: 36.029 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-07 19:42:56,192 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 10900 2180 159.9 8370.6 17525 -9154.6 -9154.6 0.53639 0.5558 0.26466 7305.8 2024-05-07 19:43:35,465 INFO [main.py:798]
{rank 0/64} MD step = 11000 step time: 00:00:00.384325 Performance: 36.029 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-07 19:43:41,629 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 11000 2200 162.71 8587.7 17833 -9245.1 -9245.1 0.54136 0.56231 0.26718 7387.6 2024-05-07 19:44:21,981 INFO [main.py:798]
{rank 0/64} MD step = 11100 step time: 00:00:00.391206 Performance: 36.039 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-07 19:44:31,072 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 11100 2220 162.57 8721.2 17818 -9097.1 -9097.1 0.54647 0.56597 0.26938 7453.5 2024-05-07 19:45:10,655 INFO [main.py:798]
{rank 0/64} MD step = 11200 step time: 00:00:00.414752 Performance: 36.034 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-07 19:45:16,176 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 11200 2240 161.03 8538.9 17649 -9110.2 -9110.2 0.55002 0.57009 0.27141 7487.1 2024-05-07 19:45:57,118 INFO [main.py:798]
{rank 0/64} MD step = 11300 step time: 00:00:00.415050 Performance: 36.044 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-07 19:46:04,309 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 11300 2260 160.07 8325.3 17544 -9218.8 -9218.8 0.5547 0.57245 0.27438 7542.4 2024-05-07 19:46:43,979 INFO [main.py:798]
{rank 0/64} MD step = 11400 step time: 00:00:00.424145 Performance: 36.051 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-07 19:46:49,139 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 11400 2280 160.06 8220.3 17542 -9322.1 -9322.1 0.55815 0.57774 0.2796 7558.6 2024-05-07 19:47:30,521 INFO [main.py:798]
{rank 0/64} MD step = 11500 step time: 00:00:00.388649 Performance: 36.060 ns/day 0.666 hours/ns 2.087 steps/s 2024-05-07 19:47:37,334 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 11500 2300 158.85 8342.5 17410 -9067.6 -9067.6 0.56312 0.58291 0.28043 7635.5 2024-05-07 19:48:15,828 INFO [main.py:798]
{rank 0/64} MD step = 11600 step time: 00:00:00.390049 Performance: 36.077 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-07 19:48:22,627 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 11600 2320 161.02 8324.7 17648 -9323.8 -9323.8 0.56727 0.5893 0.28398 7653.1 2024-05-07 19:49:03,354 INFO [main.py:798]
{rank 0/64} MD step = 11700 step time: 00:00:00.359119 Performance: 36.079 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-07 19:49:09,562 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 11700 2340 162.62 8675.2 17823 -9148 -9148 0.57039 0.59392 0.28434 7713.8 2024-05-07 19:49:49,971 INFO [main.py:798]
{rank 0/64} MD step = 11800 step time: 00:00:00.389892 Performance: 36.088 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-07 19:49:58,340 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 11800 2360 160.61 8505.1 17603 -9098.1 -9098.1 0.57502 0.60026 0.28588 7769.9 2024-05-07 19:50:37,589 INFO [main.py:798]
{rank 0/64} MD step = 11900 step time: 00:00:00.366804 Performance: 36.089 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-07 19:50:48,122 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 11900 2380 160.46 8464.1 17586 -9122.2 -9122.2 0.5806 0.60662 0.28784 7817.1 2024-05-07 19:51:28,536 INFO [main.py:798]
{rank 0/64} MD step = 12000 step time: 00:00:00.415440 Performance: 36.070 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-07 19:51:37,628 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12000 2400 160.84 8395 17628 -9232.9 -9232.9 0.5851 0.61424 0.29032 7849.1 2024-05-07 19:52:18,321 INFO [main.py:798]
{rank 0/64} MD step = 12100 step time: 00:00:00.392739 Performance: 36.058 ns/day 0.666 hours/ns 2.087 steps/s 2024-05-07 19:52:26,130 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12100 2420 160.39 8532.6 17578 -9045.8 -9045.8 0.58906 0.61811 0.29396 7915.8 2024-05-07 19:53:05,770 INFO [main.py:798]
{rank 0/64} MD step = 12200 step time: 00:00:00.369065 Performance: 36.061 ns/day 0.666 hours/ns 2.087 steps/s 2024-05-07 19:53:15,103 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12200 2440 160.3 8401.5 17569 -9167.7 -9167.7 0.59619 0.62329 0.29663 7962.2 2024-05-07 19:53:54,834 INFO [main.py:798]
{rank 0/64} MD step = 12300 step time: 00:00:00.373785 Performance: 36.054 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-07 19:54:05,227 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12300 2460 161.88 8514.6 17743 -9227.9 -9227.9 0.60142 0.62849 0.29884 7960.3 2024-05-07 19:54:45,714 INFO [main.py:798]
{rank 0/64} MD step = 12400 step time: 00:00:00.419132 Performance: 36.036 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-07 19:54:55,202 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12400 2480 159.61 8422.3 17493 -9071 -9071 0.60758 0.63241 0.30173 8025.2 2024-05-07 19:55:35,472 INFO [main.py:798]
{rank 0/64} MD step = 12500 step time: 00:00:00.387161 Performance: 36.026 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-07 19:55:44,785 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12500 2500 159.37 8301 17467 -9166.5 -9166.5 0.61261 0.6376 0.30569 8065.7 2024-05-07 19:56:25,028 INFO [main.py:798]
{rank 0/64} MD step = 12600 step time: 00:00:00.399912 Performance: 36.016 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-07 19:56:31,414 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12600 2520 160.15 8411.4 17553 -9141.2 -9141.2 0.62023 0.64131 0.30863 8101.5 2024-05-07 19:57:11,573 INFO [main.py:798]
{rank 0/64} MD step = 12700 step time: 00:00:00.443859 Performance: 36.025 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-07 19:57:18,462 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12700 2540 158.8 8239.6 17405 -9165.4 -9165.4 0.62522 0.64743 0.31158 8139.2 2024-05-07 19:57:57,877 INFO [main.py:798]
{rank 0/64} MD step = 12800 step time: 00:00:00.438545 Performance: 36.034 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-07 19:58:04,211 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12800 2560 158.63 8181.9 17386 -9204.4 -9204.4 0.62937 0.65059 0.31374 8171.4 2024-05-07 19:58:43,061 INFO [main.py:798]
{rank 0/64} MD step = 12900 step time: 00:00:00.382256 Performance: 36.050 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-07 19:58:49,989 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 12900 2580 160.48 8434.7 17588 -9153.8 -9153.8 0.63598 0.65825 0.31653 8216 2024-05-07 19:59:29,913 INFO [main.py:798]
{rank 0/64} MD step = 13000 step time: 00:00:00.416402 Performance: 36.057 ns/day 0.666 hours/ns 2.087 steps/s 2024-05-07 19:59:36,988 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 13000 2600 160.91 8470.4 17635 -9165 -9165 0.64065 0.6628 0.31932 8261.2 2024-05-07 20:00:17,580 INFO [main.py:798]
{rank 0/64} MD step = 13100 step time: 00:00:00.403001 Performance: 36.058 ns/day 0.666 hours/ns 2.087 steps/s 2024-05-07 20:00:32,153 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 13100 2620 158.85 8246.9 17410 -9163.5 -9163.5 0.64686 0.66769 0.32051 8349.8 2024-05-07 20:01:12,709 INFO [main.py:798]
{rank 0/64} MD step = 13200 step time: 00:00:00.393433 Performance: 36.017 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-07 20:01:19,567 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 13200 2640 156.81 7979.1 17187 -9207.6 -9207.6 0.65141 0.67425 0.32268 8333 2024-05-07 20:01:59,985 INFO [main.py:798]
{rank 0/64} MD step = 13300 step time: 00:00:00.413549 Performance: 36.021 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-07 20:02:06,505 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 13300 2660 160.8 8453 17624 -9170.8 -9170.8 0.6554 0.67832 0.32436 8384.4 2024-05-07 20:02:46,971 INFO [main.py:798]
{rank 0/64} MD step = 13400 step time: 00:00:00.446654 Performance: 36.027 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-07 20:02:57,278 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 13400 2680 161.75 8529.1 17728 -9198.9 -9198.9 0.65788 0.68177 0.32798 8426.6 2024-05-07 20:03:36,483 INFO [main.py:798]
{rank 0/64} MD step = 13500 step time: 00:00:00.448070 Performance: 36.018 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-07 20:03:42,784 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 13500 2700 161.52 8622.7 17702 -9079.7 -9079.7 0.66324 0.68528 0.3303 8496.7 2024-05-07 20:04:23,080 INFO [main.py:798]
{rank 0/64} MD step = 13600 step time: 00:00:00.473733 Performance: 36.026 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-07 20:04:27,488 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 13600 2720 158.64 8277.4 17388 -9110.2 -9110.2 0.66811 0.68994 0.33362 8529.9 2024-05-07 20:05:08,999 INFO [main.py:798]
{rank 0/64} MD step = 13700 step time: 00:00:00.401550 Performance: 36.037 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-07 20:05:15,390 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 13700 2740 160.43 8474.4 17583 -9108.5 -9108.5 0.67428 0.69503 0.33602 8533.3 2024-05-07 20:05:55,303 INFO [main.py:798]
{rank 0/64} MD step = 13800 step time: 00:00:00.360419 Performance: 36.046 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-07 20:06:05,828 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 13800 2760 159.63 8425.8 17496 -9069.9 -9069.9 0.67874 0.69969 0.33888 8594.5 2024-05-07 20:06:46,899 INFO [main.py:798]
{rank 0/64} MD step = 13900 step time: 00:00:00.414915 Performance: 36.026 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-07 20:06:52,991 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 13900 2780 161.19 8394.9 17667 -9272 -9272 0.6837 0.70393 0.34197 8643.9 2024-05-07 20:07:32,239 INFO [main.py:798]
{rank 0/64} MD step = 14000 step time: 00:00:00.406077 Performance: 36.040 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-07 20:07:38,086 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 14000 2800 161.18 8403 17666 -9262.8 -9262.8 0.68884 0.71042 0.34471 8640.4 2024-05-07 20:08:19,216 INFO [main.py:798]
{rank 0/64} MD step = 14100 step time: 00:00:00.406158 Performance: 36.045 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-07 20:08:25,292 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 14100 2820 158.28 8063.4 17347 -9283.8 -9283.8 0.69549 0.71829 0.34457 8702.1 2024-05-07 20:09:06,088 INFO [main.py:798]
{rank 0/64} MD step = 14200 step time: 00:00:00.396880 Performance: 36.051 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-07 20:09:13,887 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 14200 2840 158.4 8167.2 17361 -9193.8 -9193.8 0.70027 0.72373 0.34785 8767.4 2024-05-07 20:09:53,119 INFO [main.py:798]
{rank 0/64} MD step = 14300 step time: 00:00:00.395023 Performance: 36.056 ns/day 0.666 hours/ns 2.087 steps/s 2024-05-07 20:10:00,974 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 14300 2860 156.94 8117.3 17200 -9083 -9083 0.70634 0.72876 0.34912 8794.5 2024-05-07 20:10:41,314 INFO [main.py:798]
{rank 0/64} MD step = 14400 step time: 00:00:00.416243 Performance: 36.054 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-07 20:10:46,463 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 14400 2880 160.05 8377.4 17541 -9163.9 -9163.9 0.71202 0.73299 0.35252 8842.1 2024-05-07 20:11:26,298 INFO [main.py:798]
{rank 0/64} MD step = 14500 step time: 00:00:00.394160 Performance: 36.070 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-07 20:11:32,469 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 14500 2900 160.68 8508.2 17610 -9102.1 -9102.1 0.71726 0.73648 0.35331 8906.2 2024-05-07 20:12:11,912 INFO [main.py:798]
{rank 0/64} MD step = 14600 step time: 00:00:00.409968 Performance: 36.081 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-07 20:12:20,707 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 14600 2920 161.61 8556.8 17712 -9155.4 -9155.4 0.72225 0.73856 0.3561 8909.4 2024-05-07 20:13:00,619 INFO [main.py:798]
{rank 0/64} MD step = 14700 step time: 00:00:00.379847 Performance: 36.077 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-07 20:13:08,667 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 14700 2940 160.36 8483.8 17575 -9091.6 -9091.6 0.72793 0.7444 0.35994 8963.7 2024-05-07 20:13:48,848 INFO [main.py:798]
{rank 0/64} MD step = 14800 step time: 00:00:00.395488 Performance: 36.076 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-07 20:14:00,732 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 14800 2960 161.38 8381.7 17687 -9305.2 -9305.2 0.73465 0.74993 0.36135 9022.3 2024-05-07 20:14:41,093 INFO [main.py:798]
{rank 0/64} MD step = 14900 step time: 00:00:00.413490 Performance: 36.054 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-07 20:14:47,692 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 14900 2980 160.41 8382.1 17581 -9198.6 -9198.6 0.73913 0.75351 0.36528 9041.7 2024-05-07 20:15:27,646 INFO [main.py:798]
{rank 0/64} MD step = 15000 step time: 00:00:00.417589 Performance: 36.060 ns/day 0.666 hours/ns 2.087 steps/s 2024-05-07 20:15:34,543 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 15000 3000 159.9 8412.3 17526 -9113.3 -9113.3 0.74503 0.75692 0.36753 9102.2 2024-05-07 20:16:13,843 INFO [main.py:798]
{rank 0/64} MD step = 15100 step time: 00:00:00.395642 Performance: 36.069 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-07 20:16:19,546 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 15100 3020 160.75 8502 17619 -9116.8 -9116.8 0.74979 0.76332 0.36915 9143.9 2024-05-07 20:17:00,039 INFO [main.py:798]
{rank 0/64} MD step = 15200 step time: 00:00:00.420074 Performance: 36.078 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-07 20:17:05,927 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 15200 3040 160.91 8472.9 17636 -9162.7 -9162.7 0.75351 0.7677 0.37126 9224.5 2024-05-07 20:17:46,530 INFO [main.py:798]
{rank 0/64} MD step = 15300 step time: 00:00:00.406449 Performance: 36.084 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-07 20:17:52,883 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 15300 3060 162.49 8508.1 17809 -9300.6 -9300.6 0.75905 0.77322 0.37305 9244.5 2024-05-07 20:18:32,824 INFO [main.py:798]
{rank 0/64} MD step = 15400 step time: 00:00:00.400828 Performance: 36.092 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-07 20:18:39,445 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 15400 3080 161.18 8588.8 17666 -9077 -9077 0.76507 0.77779 0.37579 9305.6 2024-05-07 20:19:19,199 INFO [main.py:798]
{rank 0/64} MD step = 15500 step time: 00:00:00.402543 Performance: 36.100 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-07 20:19:24,947 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 15500 3100 160.05 8255.1 17541 -9286.1 -9286.1 0.77389 0.7829 0.37947 9367.5 2024-05-07 20:20:05,086 INFO [main.py:798]
{rank 0/64} MD step = 15600 step time: 00:00:00.411936 Performance: 36.109 ns/day 0.665 hours/ns 2.090 steps/s 2024-05-07 20:20:11,108 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 15600 3120 157.55 8018.8 17267 -9248.3 -9248.3 0.77818 0.78902 0.38229 9427.3 2024-05-07 20:20:48,457 INFO [main.py:798]
{rank 0/64} MD step = 15700 step time: 00:00:00.382181 Performance: 36.131 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-07 20:20:55,522 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 15700 3140 162 8494.1 17755 -9260.8 -9260.8 0.78231 0.79534 0.38415 9477.7 2024-05-07 20:21:34,774 INFO [main.py:798]
{rank 0/64} MD step = 15800 step time: 00:00:00.416255 Performance: 36.138 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-07 20:21:41,980 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 15800 3160 161.29 8470.5 17678 -9207.6 -9207.6 0.78763 0.80037 0.38771 9527.2 2024-05-07 20:22:22,173 INFO [main.py:798]
{rank 0/64} MD step = 15900 step time: 00:00:00.418329 Performance: 36.140 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-07 20:22:32,253 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 15900 3180 162.17 8539.3 17774 -9235 -9235 0.79349 0.80475 0.3904 9587.1 2024-05-07 20:23:12,151 INFO [main.py:798]
{rank 0/64} MD step = 16000 step time: 00:00:00.454442 Performance: 36.130 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-07 20:23:19,431 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16000 3200 158.4 8134.8 17361 -9226 -9226 0.79624 0.81041 0.39141 9626.1 2024-05-07 20:23:58,084 INFO [main.py:798]
{rank 0/64} MD step = 16100 step time: 00:00:00.417731 Performance: 36.139 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-07 20:24:05,299 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16100 3220 161.31 8401.3 17680 -9278.5 -9278.5 0.79907 0.81519 0.39448 9667.1 2024-05-07 20:24:43,196 INFO [main.py:798]
{rank 0/64} MD step = 16200 step time: 00:00:00.362739 Performance: 36.151 ns/day 0.664 hours/ns 2.092 steps/s 2024-05-07 20:24:52,710 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16200 3240 157.56 8082.2 17268 -9186.1 -9186.1 0.80493 0.82202 0.39602 9724.8 2024-05-07 20:25:31,465 INFO [main.py:798]
{rank 0/64} MD step = 16300 step time: 00:00:00.387561 Performance: 36.149 ns/day 0.664 hours/ns 2.092 steps/s 2024-05-07 20:25:39,069 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16300 3260 160.82 8373.9 17626 -9252.5 -9252.5 0.80928 0.82542 0.3989 9751.1 2024-05-07 20:26:19,403 INFO [main.py:798]
{rank 0/64} MD step = 16400 step time: 00:00:00.387819 Performance: 36.148 ns/day 0.664 hours/ns 2.092 steps/s 2024-05-07 20:26:24,489 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16400 3280 157.95 8140.9 17312 -9170.8 -9170.8 0.8154 0.82881 0.39992 9830.5 2024-05-07 20:27:04,924 INFO [main.py:798]
{rank 0/64} MD step = 16500 step time: 00:00:00.360418 Performance: 36.159 ns/day 0.664 hours/ns 2.093 steps/s 2024-05-07 20:27:11,133 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16500 3300 162.49 8525.6 17809 -9283.7 -9283.7 0.8199 0.83561 0.40103 9826.9 2024-05-07 20:27:51,881 INFO [main.py:798]
{rank 0/64} MD step = 16600 step time: 00:00:00.378326 Performance: 36.163 ns/day 0.664 hours/ns 2.093 steps/s 2024-05-07 20:28:00,980 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16600 3320 161.42 8517.7 17691 -9173.7 -9173.7 0.82519 0.84081 0.40491 9909.6 2024-05-07 20:28:40,323 INFO [main.py:798]
{rank 0/64} MD step = 16700 step time: 00:00:00.385785 Performance: 36.160 ns/day 0.664 hours/ns 2.093 steps/s 2024-05-07 20:28:47,329 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16700 3340 158.84 8227 17409 -9182 -9182 0.82965 0.84637 0.40608 9948.1 2024-05-07 20:29:27,319 INFO [main.py:798]
{rank 0/64} MD step = 16800 step time: 00:00:00.373679 Performance: 36.163 ns/day 0.664 hours/ns 2.093 steps/s 2024-05-07 20:29:35,958 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16800 3360 158.13 8240.4 17331 -9091 -9091 0.8367 0.85333 0.40915 10002 2024-05-07 20:30:14,549 INFO [main.py:798]
{rank 0/64} MD step = 16900 step time: 00:00:00.401561 Performance: 36.166 ns/day 0.664 hours/ns 2.093 steps/s 2024-05-07 20:30:24,352 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 16900 3380 161.05 8377.9 17652 -9273.8 -9273.8 0.84137 0.85944 0.40973 10047 2024-05-07 20:31:03,798 INFO [main.py:798]
{rank 0/64} MD step = 17000 step time: 00:00:00.405608 Performance: 36.159 ns/day 0.664 hours/ns 2.093 steps/s 2024-05-07 20:31:13,134 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17000 3400 161.31 8509.3 17680 -9170.5 -9170.5 0.84662 0.86489 0.41092 10108 2024-05-07 20:31:52,666 INFO [main.py:798]
{rank 0/64} MD step = 17100 step time: 00:00:00.413233 Performance: 36.154 ns/day 0.664 hours/ns 2.092 steps/s 2024-05-07 20:31:59,912 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17100 3420 159.98 8275.7 17534 -9258.3 -9258.3 0.85239 0.86981 0.41102 10138 2024-05-07 20:32:39,309 INFO [main.py:798]
{rank 0/64} MD step = 17200 step time: 00:00:00.399578 Performance: 36.159 ns/day 0.664 hours/ns 2.093 steps/s 2024-05-07 20:32:44,977 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17200 3440 161.43 8409.3 17693 -9283.3 -9283.3 0.85826 0.87367 0.41551 10217 2024-05-07 20:33:25,765 INFO [main.py:798]
{rank 0/64} MD step = 17300 step time: 00:00:00.370453 Performance: 36.165 ns/day 0.664 hours/ns 2.093 steps/s 2024-05-07 20:33:31,955 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17300 3460 159.21 8334.1 17449 -9115.1 -9115.1 0.86367 0.87856 0.41818 10215 2024-05-07 20:34:11,857 INFO [main.py:798]
{rank 0/64} MD step = 17400 step time: 00:00:00.381204 Performance: 36.173 ns/day 0.663 hours/ns 2.093 steps/s 2024-05-07 20:34:18,085 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17400 3480 157.36 8001.8 17247 -9245.5 -9245.5 0.86753 0.88411 0.41901 10282 2024-05-07 20:34:57,398 INFO [main.py:798]
{rank 0/64} MD step = 17500 step time: 00:00:00.382178 Performance: 36.182 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-07 20:35:02,803 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17500 3500 161.79 8435.9 17732 -9296.3 -9296.3 0.87255 0.88783 0.4208 10337 2024-05-07 20:35:43,419 INFO [main.py:798]
{rank 0/64} MD step = 17600 step time: 00:00:00.376625 Performance: 36.190 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-07 20:35:50,419 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17600 3520 158.68 8240.9 17392 -9150.8 -9150.8 0.87915 0.89276 0.42214 10378 2024-05-07 20:36:30,545 INFO [main.py:798]
{rank 0/64} MD step = 17700 step time: 00:00:00.382408 Performance: 36.192 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-07 20:36:36,516 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17700 3540 158.02 8228 17320 -9091.6 -9091.6 0.88268 0.89815 0.42412 10437 2024-05-07 20:37:17,092 INFO [main.py:798]
{rank 0/64} MD step = 17800 step time: 00:00:00.380175 Performance: 36.198 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-07 20:37:22,756 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17800 3560 160.69 8444 17612 -9167.8 -9167.8 0.88851 0.90394 0.42604 10488 2024-05-07 20:38:02,686 INFO [main.py:798]
{rank 0/64} MD step = 17900 step time: 00:00:00.369192 Performance: 36.207 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-07 20:38:08,374 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 17900 3580 159.07 8212 17434 -9222 -9222 0.89241 0.91188 0.42814 10517 2024-05-07 20:38:47,198 INFO [main.py:798]
{rank 0/64} MD step = 18000 step time: 00:00:00.391019 Performance: 36.220 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-07 20:38:53,687 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 18000 3600 161.41 8523.8 17690 -9166.5 -9166.5 0.89775 0.91601 0.43109 10558 2024-05-07 20:39:34,013 INFO [main.py:798]
{rank 0/64} MD step = 18100 step time: 00:00:00.386741 Performance: 36.224 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-07 20:39:40,208 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 18100 3620 161.54 8621.7 17705 -9083.4 -9083.4 0.90369 0.9234 0.43328 10602 2024-05-07 20:40:20,235 INFO [main.py:798]
{rank 0/64} MD step = 18200 step time: 00:00:00.382058 Performance: 36.230 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-07 20:40:26,400 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 18200 3640 159.04 8287.4 17432 -9144.1 -9144.1 0.90984 0.93023 0.43553 10655 2024-05-07 20:41:06,637 INFO [main.py:798]
{rank 0/64} MD step = 18300 step time: 00:00:00.397760 Performance: 36.235 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-07 20:41:12,301 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 18300 3660 157.72 8045.5 17286 -9240.6 -9240.6 0.91545 0.93455 0.43804 10703 2024-05-07 20:41:52,272 INFO [main.py:798]
{rank 0/64} MD step = 18400 step time: 00:00:00.394666 Performance: 36.244 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-07 20:41:58,745 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 18400 3680 161.08 8562.2 17654 -9091.9 -9091.9 0.92158 0.94025 0.43875 10728 2024-05-07 20:42:39,007 INFO [main.py:798]
{rank 0/64} MD step = 18500 step time: 00:00:00.374899 Performance: 36.248 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-07 20:42:48,758 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 18500 3700 159.17 8214 17445 -9231.2 -9231.2 0.92401 0.94498 0.44056 10800 2024-05-07 20:43:28,970 INFO [main.py:798]
{rank 0/64} MD step = 18600 step time: 00:00:00.415585 Performance: 36.238 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-07 20:43:46,440 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 18600 3720 158.9 8153.7 17415 -9261.6 -9261.6 0.92761 0.9519 0.44041 10830 2024-05-07 20:44:25,502 INFO [main.py:798]
{rank 0/64} MD step = 18700 step time: 00:00:00.415663 Performance: 36.203 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-07 20:44:31,440 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 18700 3740 160.43 8329.4 17584 -9254.2 -9254.2 0.93222 0.9564 0.44322 10839 2024-05-07 20:45:09,966 INFO [main.py:798]
{rank 0/64} MD step = 18800 step time: 00:00:00.416083 Performance: 36.216 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-07 20:45:17,242 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 18800 3760 161.61 8427.3 17713 -9285.3 -9285.3 0.93791 0.96141 0.44469 10913 2024-05-07 20:45:57,327 INFO [main.py:798]
{rank 0/64} MD step = 18900 step time: 00:00:00.385032 Performance: 36.217 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-07 20:46:03,217 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 18900 3780 159.86 8324.9 17521 -9196.4 -9196.4 0.94356 0.96764 0.44726 10961 2024-05-07 20:46:43,069 INFO [main.py:798]
{rank 0/64} MD step = 19000 step time: 00:00:00.381337 Performance: 36.225 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-07 20:46:49,976 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19000 3800 160.47 8287 17587 -9300.5 -9300.5 0.94857 0.97417 0.45025 11011 2024-05-07 20:47:28,816 INFO [main.py:798]
{rank 0/64} MD step = 19100 step time: 00:00:00.405711 Performance: 36.233 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-07 20:47:33,583 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19100 3820 159.53 8317.6 17484 -9166.7 -9166.7 0.95327 0.98097 0.45406 11033 2024-05-07 20:48:14,668 INFO [main.py:798]
{rank 0/64} MD step = 19200 step time: 00:00:00.384390 Performance: 36.240 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-07 20:48:22,342 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19200 3840 159.57 8333 17489 -9156.1 -9156.1 0.95732 0.98352 0.4557 11073 2024-05-07 20:49:02,553 INFO [main.py:798]
{rank 0/64} MD step = 19300 step time: 00:00:00.361534 Performance: 36.239 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-07 20:49:14,203 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19300 3860 159.06 8224 17433 -9208.8 -9208.8 0.96158 0.98795 0.45768 11095 2024-05-07 20:49:55,771 INFO [main.py:798]
{rank 0/64} MD step = 19400 step time: 00:00:00.378103 Performance: 36.218 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-07 20:50:02,628 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19400 3880 158.4 8136.2 17361 -9224.3 -9224.3 0.96623 0.99325 0.46094 11137 2024-05-07 20:50:43,648 INFO [main.py:798]
{rank 0/64} MD step = 19500 step time: 00:00:00.385238 Performance: 36.217 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-07 20:50:48,775 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19500 3900 157.67 8143.6 17281 -9137.7 -9137.7 0.9707 0.99876 0.46441 11180 2024-05-07 20:51:27,704 INFO [main.py:798]
{rank 0/64} MD step = 19600 step time: 00:00:00.388939 Performance: 36.231 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-07 20:51:34,315 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19600 3920 160.24 8407.4 17563 -9155.3 -9155.3 0.97716 1.004 0.46871 11218 2024-05-07 20:52:15,167 INFO [main.py:798]
{rank 0/64} MD step = 19700 step time: 00:00:00.372976 Performance: 36.232 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-07 20:52:22,631 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19700 3940 161.77 8684.5 17730 -9045.4 -9045.4 0.98383 1.0091 0.47168 11280 2024-05-07 20:53:03,118 INFO [main.py:798]
{rank 0/64} MD step = 19800 step time: 00:00:00.374798 Performance: 36.231 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-07 20:53:09,040 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19800 3960 161.73 8603.7 17726 -9122.1 -9122.1 0.98966 1.0129 0.47446 11296 2024-05-07 20:53:49,680 INFO [main.py:798]
{rank 0/64} MD step = 19900 step time: 00:00:00.395899 Performance: 36.235 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-07 20:53:57,515 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 19900 3980 160.68 8361.1 17611 -9249.9 -9249.9 0.99257 1.0169 0.47742 11325 2024-05-07 20:54:38,632 INFO [main.py:798]
{rank 0/64} MD step = 20000 step time: 00:00:00.387106 Performance: 36.231 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-07 20:54:47,534 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 20000 4000 159.83 8411 17518 -9106.7 -9106.7 0.99819 1.0227 0.47984 11363 2024-05-07 20:55:28,318 INFO [main.py:798]
{rank 0/64} MD step = 20100 step time: 00:00:00.392314 Performance: 36.223 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-07 20:55:37,922 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 20100 4020 159.32 8238.9 17462 -9222.6 -9222.6 1.0044 1.0252 0.48332 11408 2024-05-07 20:56:17,404 INFO [main.py:798]
{rank 0/64} MD step = 20200 step time: 00:00:00.402977 Performance: 36.218 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-07 20:56:26,680 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 20200 4040 159.97 8393.4 17532 -9139 -9139 1.0088 1.0303 0.48536 11474 2024-05-07 20:57:07,044 INFO [main.py:798]
{rank 0/64} MD step = 20300 step time: 00:00:00.431288 Performance: 36.211 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-07 20:57:17,959 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 20300 4060 158.46 8117.1 17367 -9249.8 -9249.8 1.0143 1.0352 0.48892 11525 2024-05-07 20:57:57,748 INFO [main.py:798]
{rank 0/64} MD step = 20400 step time: 00:00:00.444644 Performance: 36.200 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-07 20:58:08,050 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 20400 4080 160.63 8371.6 17605 -9233.2 -9233.2 1.0187 1.0406 0.49068 11539 2024-05-07 20:58:48,408 INFO [main.py:798]
{rank 0/64} MD step = 20500 step time: 00:00:00.427398 Performance: 36.189 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-07 20:58:55,432 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 20500 4100 159.62 8258.8 17495 -9236.1 -9236.1 1.0248 1.0443 0.49502 11590 2024-05-07 20:59:35,904 INFO [main.py:798]
{rank 0/64} MD step = 20600 step time: 00:00:00.438816 Performance: 36.190 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-07 20:59:44,061 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 20600 4120 159.34 8374.7 17464 -9089.1 -9089.1 1.0276 1.0498 0.49833 11628 2024-05-07 21:00:24,152 INFO [main.py:798]
{rank 0/64} MD step = 20700 step time: 00:00:00.398589 Performance: 36.188 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-07 21:00:30,600 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 20700 4140 160.68 8275.6 17610 -9334.6 -9334.6 1.0311 1.056 0.50136 11662 2024-05-07 21:01:10,615 INFO [main.py:798]
{rank 0/64} MD step = 20800 step time: 00:00:00.402653 Performance: 36.193 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-07 21:01:18,487 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 20800 4160 161.55 8504.7 17706 -9201.6 -9201.6 1.0355 1.0626 0.50258 11737 2024-05-07 21:01:57,959 INFO [main.py:798]
{rank 0/64} MD step = 20900 step time: 00:00:00.392328 Performance: 36.194 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-07 21:02:08,792 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 20900 4180 160.46 8391 17586 -9195.2 -9195.2 1.0423 1.0671 0.5066 11759 2024-05-07 21:02:48,850 INFO [main.py:798]
{rank 0/64} MD step = 21000 step time: 00:00:00.424518 Performance: 36.183 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-07 21:02:56,991 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21000 4200 160.55 8362.6 17596 -9233.9 -9233.9 1.045 1.073 0.50814 11811 2024-05-07 21:03:37,677 INFO [main.py:798]
{rank 0/64} MD step = 21100 step time: 00:00:00.408106 Performance: 36.179 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-07 21:03:46,934 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21100 4220 161.06 8557 17653 -9095.8 -9095.8 1.0506 1.0796 0.51138 11864 2024-05-07 21:04:24,021 INFO [main.py:798]
{rank 0/64} MD step = 21200 step time: 00:00:00.353713 Performance: 36.184 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-07 21:04:29,658 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21200 4240 158.88 8188.3 17413 -9224.6 -9224.6 1.0566 1.0844 0.51358 11903 2024-05-07 21:05:09,565 INFO [main.py:798]
{rank 0/64} MD step = 21300 step time: 00:00:00.399094 Performance: 36.192 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-07 21:05:24,431 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21300 4260 161.55 8437.7 17706 -9268.1 -9268.1 1.0603 1.0873 0.51532 11938 2024-05-07 21:06:04,738 INFO [main.py:798]
{rank 0/64} MD step = 21400 step time: 00:00:00.381437 Performance: 36.165 ns/day 0.664 hours/ns 2.093 steps/s 2024-05-07 21:06:12,544 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21400 4280 159.97 8392.5 17533 -9140.9 -9140.9 1.0644 1.092 0.51614 11955 2024-05-07 21:06:53,784 INFO [main.py:798]
{rank 0/64} MD step = 21500 step time: 00:00:00.377612 Performance: 36.161 ns/day 0.664 hours/ns 2.093 steps/s 2024-05-07 21:07:05,692 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21500 4300 161.4 8512.3 17690 -9177.2 -9177.2 1.0683 1.0987 0.51667 12024 2024-05-07 21:07:45,090 INFO [main.py:798]
{rank 0/64} MD step = 21600 step time: 00:00:00.410697 Performance: 36.149 ns/day 0.664 hours/ns 2.092 steps/s 2024-05-07 21:07:51,284 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21600 4320 160.13 8407.3 17550 -9142.7 -9142.7 1.0741 1.1045 0.52079 12081 2024-05-07 21:08:31,563 INFO [main.py:798]
{rank 0/64} MD step = 21700 step time: 00:00:00.395094 Performance: 36.153 ns/day 0.664 hours/ns 2.092 steps/s 2024-05-07 21:08:39,487 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21700 4340 160.34 8436.5 17573 -9136.5 -9136.5 1.0796 1.1091 0.52251 12117 2024-05-07 21:09:18,631 INFO [main.py:798]
{rank 0/64} MD step = 21800 step time: 00:00:00.400707 Performance: 36.156 ns/day 0.664 hours/ns 2.092 steps/s 2024-05-07 21:09:27,305 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21800 4360 161.6 8528.5 17712 -9183.4 -9183.4 1.0823 1.1144 0.52567 12163 2024-05-07 21:10:06,869 INFO [main.py:798]
{rank 0/64} MD step = 21900 step time: 00:00:00.419720 Performance: 36.154 ns/day 0.664 hours/ns 2.092 steps/s 2024-05-07 21:10:19,100 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 21900 4380 158.37 8255.5 17357 -9101.8 -9101.8 1.0894 1.1198 0.52704 12195 2024-05-07 21:10:58,098 INFO [main.py:798]
{rank 0/64} MD step = 22000 step time: 00:00:00.440228 Performance: 36.142 ns/day 0.664 hours/ns 2.092 steps/s 2024-05-07 21:11:06,530 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 22000 4400 161.89 8660.7 17744 -9083.2 -9083.2 1.0946 1.1261 0.52814 12259 2024-05-07 21:11:45,981 INFO [main.py:798]
{rank 0/64} MD step = 22100 step time: 00:00:00.399395 Performance: 36.142 ns/day 0.664 hours/ns 2.092 steps/s 2024-05-07 21:11:54,576 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 22100 4420 159.46 8423.6 17477 -9053.6 -9053.6 1.1003 1.132 0.52804 12329 2024-05-07 21:12:34,982 INFO [main.py:798]
{rank 0/64} MD step = 22200 step time: 00:00:00.408273 Performance: 36.138 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-07 21:12:43,057 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 22200 4440 159.91 8348.7 17526 -9177.7 -9177.7 1.1061 1.1386 0.53129 12359 2024-05-07 21:13:22,988 INFO [main.py:798]
{rank 0/64} MD step = 22300 step time: 00:00:00.396432 Performance: 36.138 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-07 21:13:31,336 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 22300 4460 161.77 8559.7 17730 -9170.1 -9170.1 1.1113 1.143 0.53497 12352 2024-05-07 21:14:10,818 INFO [main.py:798]
{rank 0/64} MD step = 22400 step time: 00:00:00.422873 Performance: 36.137 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-07 21:14:18,735 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 22400 4480 160.14 8365.2 17552 -9186.8 -9186.8 1.1169 1.1486 0.53571 12426 2024-05-07 21:14:59,406 INFO [main.py:798]
{rank 0/64} MD step = 22500 step time: 00:00:00.432503 Performance: 36.135 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-07 21:15:05,516 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 22500 4500 158.37 8185.5 17357 -9171.9 -9171.9 1.1223 1.1539 0.53816 12477 2024-05-07 21:15:46,617 INFO [main.py:798]
{rank 0/64} MD step = 22600 step time: 00:00:00.421325 Performance: 36.137 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-07 21:15:55,476 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 22600 4520 159.36 8414.9 17467 -9051.7 -9051.7 1.126 1.1605 0.54186 12502 2024-05-07 21:16:35,105 INFO [main.py:798]
{rank 0/64} MD step = 22700 step time: 00:00:00.404474 Performance: 36.135 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-07 21:16:44,366 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 22700 4540 158.86 8179.3 17411 -9232 -9232 1.1291 1.1629 0.54555 12562 2024-05-07 21:17:24,548 INFO [main.py:798]
{rank 0/64} MD step = 22800 step time: 00:00:00.405885 Performance: 36.129 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-07 21:17:31,866 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 22800 4560 159.09 8203.4 17437 -9233.2 -9233.2 1.136 1.1672 0.54748 12598 2024-05-07 21:18:11,302 INFO [main.py:798]
{rank 0/64} MD step = 22900 step time: 00:00:00.380420 Performance: 36.133 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-07 21:18:20,056 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 22900 4580 161.01 8375.7 17646 -9270.8 -9270.8 1.1395 1.171 0.54952 12664 2024-05-07 21:18:59,434 INFO [main.py:798]
{rank 0/64} MD step = 23000 step time: 00:00:00.411655 Performance: 36.132 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-07 21:19:08,288 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 23000 4600 162.13 8544.1 17769 -9225.3 -9225.3 1.1451 1.1776 0.55242 12695 2024-05-07 21:19:48,239 INFO [main.py:798]
{rank 0/64} MD step = 23100 step time: 00:00:00.431444 Performance: 36.129 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-07 21:19:55,935 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 23100 4620 161.79 8497.7 17733 -9235 -9235 1.1499 1.1825 0.55553 12738 2024-05-07 21:20:34,860 INFO [main.py:798]
{rank 0/64} MD step = 23200 step time: 00:00:00.396367 Performance: 36.133 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-07 21:20:45,048 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 23200 4640 161.86 8532 17740 -9207.7 -9207.7 1.1537 1.1868 0.55757 12771 2024-05-07 21:21:25,115 INFO [main.py:798]
{rank 0/64} MD step = 23300 step time: 00:00:00.421183 Performance: 36.125 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-07 21:21:33,363 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 23300 4660 160.06 8454 17542 -9088.5 -9088.5 1.158 1.1916 0.56015 12831 2024-05-07 21:22:13,806 INFO [main.py:798]
{rank 0/64} MD step = 23400 step time: 00:00:00.424204 Performance: 36.122 ns/day 0.664 hours/ns 2.090 steps/s 2024-05-07 21:22:22,804 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 23400 4680 160.26 8324 17565 -9241.1 -9241.1 1.1644 1.1986 0.56425 12881 2024-05-07 21:23:01,995 INFO [main.py:798]
{rank 0/64} MD step = 23500 step time: 00:00:00.406827 Performance: 36.121 ns/day 0.664 hours/ns 2.090 steps/s 2024-05-07 21:23:07,124 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 23500 4700 160.47 8431.3 17588 -9156.7 -9156.7 1.1685 1.2046 0.56822 12949 2024-05-07 21:23:47,220 INFO [main.py:798]
{rank 0/64} MD step = 23600 step time: 00:00:00.342733 Performance: 36.129 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-07 21:23:56,396 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 23600 4720 158.6 8282.4 17383 -9100.4 -9100.4 1.1727 1.2099 0.56895 12981 2024-05-07 21:24:36,448 INFO [main.py:798]
{rank 0/64} MD step = 23700 step time: 00:00:00.347263 Performance: 36.125 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-07 21:24:44,577 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 23700 4740 163.44 8756.7 17913 -9156.8 -9156.8 1.1782 1.2164 0.57318 13068 2024-05-07 21:25:24,507 INFO [main.py:798]
{rank 0/64} MD step = 23800 step time: 00:00:00.435308 Performance: 36.124 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-07 21:25:35,367 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 23800 4760 159.74 8236.3 17508 -9271.9 -9271.9 1.1824 1.222 0.57708 13091 2024-05-07 21:26:15,183 INFO [main.py:798]
{rank 0/64} MD step = 23900 step time: 00:00:00.397765 Performance: 36.115 ns/day 0.665 hours/ns 2.090 steps/s 2024-05-07 21:26:28,660 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 23900 4780 158.34 8116.4 17354 -9237.5 -9237.5 1.1889 1.2266 0.58019 13150 2024-05-07 21:27:08,606 INFO [main.py:798]
{rank 0/64} MD step = 24000 step time: 00:00:00.415318 Performance: 36.098 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-07 21:27:19,402 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 24000 4800 160.36 8336.9 17575 -9238.6 -9238.6 1.1932 1.2326 0.58207 13203 2024-05-07 21:27:59,848 INFO [main.py:798]
{rank 0/64} MD step = 24100 step time: 00:00:00.389290 Performance: 36.087 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-07 21:28:07,621 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 24100 4820 162.68 8648.4 17830 -9181.8 -9181.8 1.1974 1.2366 0.5854 13203 2024-05-07 21:28:45,397 INFO [main.py:798]
{rank 0/64} MD step = 24200 step time: 00:00:00.365584 Performance: 36.094 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-07 21:28:52,833 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 24200 4840 160.04 8343.8 17540 -9196.5 -9196.5 1.2028 1.2426 0.58914 13264 2024-05-07 21:29:33,580 INFO [main.py:798]
{rank 0/64} MD step = 24300 step time: 00:00:00.434370 Performance: 36.093 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-07 21:29:42,103 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 24300 4860 159.24 8210 17453 -9242.8 -9242.8 1.2097 1.2472 0.59034 13301 2024-05-07 21:30:22,194 INFO [main.py:798]
{rank 0/64} MD step = 24400 step time: 00:00:00.390426 Performance: 36.091 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-07 21:30:27,844 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 24400 4880 163 8659.8 17865 -9205.4 -9205.4 1.2174 1.2517 0.59287 13336 2024-05-07 21:31:08,274 INFO [main.py:798]
{rank 0/64} MD step = 24500 step time: 00:00:00.401697 Performance: 36.097 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-07 21:31:14,577 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 24500 4900 160.24 8387 17563 -9175.8 -9175.8 1.2217 1.2558 0.59518 13397 2024-05-07 21:31:55,053 INFO [main.py:798]
{rank 0/64} MD step = 24600 step time: 00:00:00.412783 Performance: 36.100 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-07 21:32:00,851 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 24600 4920 159.68 8393.4 17501 -9107.5 -9107.5 1.2269 1.2609 0.59689 13448 2024-05-07 21:32:41,207 INFO [main.py:798]
{rank 0/64} MD step = 24700 step time: 00:00:00.390946 Performance: 36.105 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-07 21:32:47,992 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 24700 4940 159.36 8202 17466 -9263.8 -9263.8 1.232 1.2667 0.59889 13510 2024-05-07 21:33:26,308 INFO [main.py:798]
{rank 0/64} MD step = 24800 step time: 00:00:00.392568 Performance: 36.114 ns/day 0.665 hours/ns 2.090 steps/s 2024-05-07 21:33:32,707 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 24800 4960 161.18 8473.1 17665 -9192.2 -9192.2 1.2367 1.2724 0.60156 13563 2024-05-07 21:34:13,014 INFO [main.py:798]
{rank 0/64} MD step = 24900 step time: 00:00:00.392473 Performance: 36.117 ns/day 0.665 hours/ns 2.090 steps/s 2024-05-07 21:34:19,966 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 24900 4980 160.67 8440.4 17610 -9169.4 -9169.4 1.2425 1.2759 0.60447 13587 2024-05-07 21:35:00,159 INFO [main.py:798]
{rank 0/64} MD step = 25000 step time: 00:00:00.389424 Performance: 36.119 ns/day 0.664 hours/ns 2.090 steps/s 2024-05-07 21:35:11,255 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25000 5000 159.88 8392.7 17523 -9130.8 -9130.8 1.2491 1.2805 0.60747 13616 2024-05-07 21:35:51,799 INFO [main.py:798]
{rank 0/64} MD step = 25100 step time: 00:00:00.416318 Performance: 36.108 ns/day 0.665 hours/ns 2.090 steps/s 2024-05-07 21:35:59,544 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25100 5020 159.97 8490.5 17533 -9042.2 -9042.2 1.2522 1.2844 0.6083 13692 2024-05-07 21:36:39,913 INFO [main.py:798]
{rank 0/64} MD step = 25200 step time: 00:00:00.431822 Performance: 36.107 ns/day 0.665 hours/ns 2.090 steps/s 2024-05-07 21:36:57,947 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25200 5040 157.13 8032.6 17221 -9188.6 -9188.6 1.2572 1.2879 0.61222 13728 2024-05-07 21:37:40,038 INFO [main.py:798]
{rank 0/64} MD step = 25300 step time: 00:00:00.390742 Performance: 36.070 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-07 21:37:46,203 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25300 5060 159.67 8283.9 17500 -9216.4 -9216.4 1.2611 1.2924 0.61291 13784 2024-05-07 21:38:26,894 INFO [main.py:798]
{rank 0/64} MD step = 25400 step time: 00:00:00.420783 Performance: 36.073 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-07 21:38:37,131 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25400 5080 159.31 8220.4 17460 -9239.9 -9239.9 1.269 1.2969 0.6157 13828 2024-05-07 21:39:15,341 INFO [main.py:798]
{rank 0/64} MD step = 25500 step time: 00:00:00.392915 Performance: 36.072 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-07 21:39:22,484 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25500 5100 159.57 8340.2 17489 -9148.5 -9148.5 1.2729 1.3016 0.61609 13847 2024-05-07 21:40:02,893 INFO [main.py:798]
{rank 0/64} MD step = 25600 step time: 00:00:00.398653 Performance: 36.073 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-07 21:40:10,867 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25600 5120 160.57 8470.9 17598 -9127.6 -9127.6 1.2782 1.3098 0.6188 13900 2024-05-07 21:40:50,778 INFO [main.py:798]
{rank 0/64} MD step = 25700 step time: 00:00:00.437469 Performance: 36.073 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-07 21:40:58,393 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25700 5140 159.82 8240.7 17517 -9276.1 -9276.1 1.2821 1.3159 0.62205 13941 2024-05-07 21:41:37,447 INFO [main.py:798]
{rank 0/64} MD step = 25800 step time: 00:00:00.393652 Performance: 36.077 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-07 21:41:49,046 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25800 5160 158 8076.6 17317 -9240.7 -9240.7 1.2854 1.3207 0.62362 14028 2024-05-07 21:42:26,592 INFO [main.py:798]
{rank 0/64} MD step = 25900 step time: 00:00:00.435129 Performance: 36.073 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-07 21:42:37,774 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 25900 5180 158.93 8238.9 17418 -9179.5 -9179.5 1.2917 1.325 0.62451 14040 2024-05-07 21:43:17,808 INFO [main.py:798]
{rank 0/64} MD step = 26000 step time: 00:00:00.381326 Performance: 36.063 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-07 21:43:25,416 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 26000 5200 159.68 8264.5 17501 -9236.3 -9236.3 1.2955 1.3302 0.62645 14059 2024-05-07 21:44:05,015 INFO [main.py:798]
{rank 0/64} MD step = 26100 step time: 00:00:00.394104 Performance: 36.065 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-07 21:44:11,968 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 26100 5220 158.52 8126.9 17373 -9246.6 -9246.6 1.3019 1.3351 0.62795 14138 2024-05-07 21:44:52,636 INFO [main.py:798]
{rank 0/64} MD step = 26200 step time: 00:00:00.394853 Performance: 36.066 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-07 21:45:02,084 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 26200 5240 160.83 8424.9 17627 -9201.8 -9201.8 1.3067 1.3412 0.63127 14178 2024-05-07 21:45:42,062 INFO [main.py:798]
{rank 0/64} MD step = 26300 step time: 00:00:00.412559 Performance: 36.062 ns/day 0.666 hours/ns 2.087 steps/s 2024-05-07 21:45:47,783 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 26300 5260 158.04 8100.8 17321 -9220.3 -9220.3 1.3121 1.348 0.63445 14203 2024-05-07 21:46:29,606 INFO [main.py:798]
{rank 0/64} MD step = 26400 step time: 00:00:00.421566 Performance: 36.063 ns/day 0.666 hours/ns 2.087 steps/s 2024-05-07 21:46:37,637 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 26400 5280 159.09 8213.6 17437 -9223.3 -9223.3 1.3171 1.3509 0.63799 14253 2024-05-07 21:47:17,964 INFO [main.py:798]
{rank 0/64} MD step = 26500 step time: 00:00:00.402454 Performance: 36.062 ns/day 0.666 hours/ns 2.087 steps/s 2024-05-07 21:47:24,844 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 26500 5300 161.91 8523.7 17745 -9221.3 -9221.3 1.3206 1.3552 0.64164 14309 2024-05-07 21:48:05,039 INFO [main.py:798]
{rank 0/64} MD step = 26600 step time: 00:00:00.402984 Performance: 36.064 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-07 21:48:11,591 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 26600 5320 159.15 8145 17443 -9298.1 -9298.1 1.3258 1.3602 0.64399 14304 2024-05-07 21:48:51,975 INFO [main.py:798]
{rank 0/64} MD step = 26700 step time: 00:00:00.426668 Performance: 36.067 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-07 21:48:59,751 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 26700 5340 159.23 8279.3 17452 -9172.9 -9172.9 1.3316 1.3658 0.64691 14357 2024-05-07 21:49:39,579 INFO [main.py:798]
{rank 0/64} MD step = 26800 step time: 00:00:00.399013 Performance: 36.068 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-07 21:49:48,476 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 26800 5360 161.59 8374 17710 -9336.5 -9336.5 1.3352 1.3736 0.6496 14389 2024-05-07 21:50:27,489 INFO [main.py:798]
{rank 0/64} MD step = 26900 step time: 00:00:00.389975 Performance: 36.068 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-07 21:50:36,455 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 26900 5380 160.11 8349.8 17548 -9198.5 -9198.5 1.3405 1.3781 0.65314 14441 2024-05-07 21:51:16,602 INFO [main.py:798]
{rank 0/64} MD step = 27000 step time: 00:00:00.424690 Performance: 36.064 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-07 21:51:25,943 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27000 5400 161.19 8449.6 17666 -9216.5 -9216.5 1.3465 1.384 0.65415 14468 2024-05-07 21:52:06,122 INFO [main.py:798]
{rank 0/64} MD step = 27100 step time: 00:00:00.393463 Performance: 36.060 ns/day 0.666 hours/ns 2.087 steps/s 2024-05-07 21:52:15,098 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27100 5420 160.74 8547.7 17617 -9069.5 -9069.5 1.3512 1.3897 0.65716 14555 2024-05-07 21:52:55,386 INFO [main.py:798]
{rank 0/64} MD step = 27200 step time: 00:00:00.413708 Performance: 36.056 ns/day 0.666 hours/ns 2.087 steps/s 2024-05-07 21:53:04,658 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27200 5440 159.13 8271.4 17441 -9169.5 -9169.5 1.3582 1.3958 0.65817 14569 2024-05-07 21:53:47,462 INFO [main.py:798]
{rank 0/64} MD step = 27300 step time: 00:00:00.412107 Performance: 36.045 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-07 21:53:54,226 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27300 5460 157.5 8035.9 17262 -9225.9 -9225.9 1.3623 1.4011 0.66118 14642 2024-05-07 21:54:32,508 INFO [main.py:798]
{rank 0/64} MD step = 27400 step time: 00:00:00.408854 Performance: 36.053 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-07 21:54:38,999 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27400 5480 158.8 8164.8 17405 -9240.4 -9240.4 1.3682 1.4061 0.66335 14716 2024-05-07 21:55:19,127 INFO [main.py:798]
{rank 0/64} MD step = 27500 step time: 00:00:00.397040 Performance: 36.056 ns/day 0.666 hours/ns 2.087 steps/s 2024-05-07 21:55:26,881 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27500 5500 159.67 8305.8 17500 -9194.1 -9194.1 1.3714 1.4126 0.66637 14747 2024-05-07 21:56:07,603 INFO [main.py:798]
{rank 0/64} MD step = 27600 step time: 00:00:00.426855 Performance: 36.055 ns/day 0.666 hours/ns 2.087 steps/s 2024-05-07 21:56:16,092 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27600 5520 161.45 8483.3 17695 -9211.4 -9211.4 1.3759 1.4168 0.66785 14788 2024-05-07 21:56:56,894 INFO [main.py:798]
{rank 0/64} MD step = 27700 step time: 00:00:00.434098 Performance: 36.051 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-07 21:57:12,211 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27700 5540 159.67 8209 17500 -9291.3 -9291.3 1.3793 1.4212 0.66853 14817 2024-05-07 21:57:53,782 INFO [main.py:798]
{rank 0/64} MD step = 27800 step time: 00:00:00.414078 Performance: 36.027 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-07 21:58:05,955 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27800 5560 160.06 8369.5 17543 -9173 -9173 1.3856 1.4271 0.6723 14869 2024-05-07 21:58:44,756 INFO [main.py:798]
{rank 0/64} MD step = 27900 step time: 00:00:00.355478 Performance: 36.019 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-07 21:58:55,630 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 27900 5580 162.51 8684.7 17811 -9126.7 -9126.7 1.3898 1.4317 0.67457 14902 2024-05-07 21:59:35,137 INFO [main.py:798]
{rank 0/64} MD step = 28000 step time: 00:00:00.389195 Performance: 36.012 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-07 21:59:53,347 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 28000 5600 161.17 8503.6 17664 -9160.9 -9160.9 1.3918 1.4375 0.67562 14943 2024-05-07 22:00:32,331 INFO [main.py:798]
{rank 0/64} MD step = 28100 step time: 00:00:00.432193 Performance: 35.988 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-07 22:00:37,428 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 28100 5620 160.82 8531.9 17626 -9093.8 -9093.8 1.3965 1.4417 0.6776 15010 2024-05-07 22:01:19,332 INFO [main.py:798]
{rank 0/64} MD step = 28200 step time: 00:00:00.390080 Performance: 35.990 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-07 22:01:31,735 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 28200 5640 159.95 8356.6 17530 -9173.7 -9173.7 1.4012 1.4475 0.67838 15049 2024-05-07 22:02:12,843 INFO [main.py:798]
{rank 0/64} MD step = 28300 step time: 00:00:00.412197 Performance: 35.976 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-07 22:02:25,189 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 28300 5660 160.05 8372.1 17542 -9169.6 -9169.6 1.405 1.4519 0.67988 15101 2024-05-07 22:03:05,183 INFO [main.py:798]
{rank 0/64} MD step = 28400 step time: 00:00:00.393983 Performance: 35.964 ns/day 0.667 hours/ns 2.081 steps/s 2024-05-07 22:03:24,166 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 28400 5680 159.4 8304.2 17470 -9165.7 -9165.7 1.4087 1.4576 0.68103 15148 2024-05-07 22:04:05,633 INFO [main.py:798]
{rank 0/64} MD step = 28500 step time: 00:00:00.410109 Performance: 35.932 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-07 22:04:15,870 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 28500 5700 162.72 8608.5 17834 -9225.6 -9225.6 1.4146 1.4585 0.68457 15196 2024-05-07 22:04:56,621 INFO [main.py:798]
{rank 0/64} MD step = 28600 step time: 00:00:00.413340 Performance: 35.924 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-07 22:05:08,169 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 28600 5720 160.95 8314.2 17640 -9325.8 -9325.8 1.4191 1.465 0.68665 15229 2024-05-07 22:05:49,332 INFO [main.py:798]
{rank 0/64} MD step = 28700 step time: 00:00:00.372915 Performance: 35.912 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-07 22:05:58,437 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 28700 5740 161.99 8536.2 17754 -9218.3 -9218.3 1.4224 1.4691 0.68772 15262 2024-05-07 22:06:39,319 INFO [main.py:798]
{rank 0/64} MD step = 28800 step time: 00:00:00.405877 Performance: 35.908 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-07 22:06:49,865 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 28800 5760 158.5 8099.6 17372 -9272.1 -9272.1 1.429 1.4746 0.68952 15317 2024-05-07 22:07:30,153 INFO [main.py:798]
{rank 0/64} MD step = 28900 step time: 00:00:00.420839 Performance: 35.901 ns/day 0.669 hours/ns 2.078 steps/s 2024-05-07 22:07:40,415 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 28900 5780 162.12 8707.8 17769 -9060.9 -9060.9 1.4344 1.4804 0.69223 15403 2024-05-07 22:08:20,771 INFO [main.py:798]
{rank 0/64} MD step = 29000 step time: 00:00:00.389970 Performance: 35.894 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-07 22:08:31,552 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 29000 5800 159.18 8287.8 17446 -9158.2 -9158.2 1.439 1.488 0.69429 15421 2024-05-07 22:09:12,403 INFO [main.py:798]
{rank 0/64} MD step = 29100 step time: 00:00:00.372279 Performance: 35.885 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-07 22:09:31,543 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 29100 5820 162.61 8641.6 17823 -9181 -9181 1.4424 1.4931 0.69755 15498 2024-05-07 22:10:11,725 INFO [main.py:798]
{rank 0/64} MD step = 29200 step time: 00:00:00.424983 Performance: 35.857 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-07 22:10:31,717 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 29200 5840 160.06 8301.5 17542 -9240.8 -9240.8 1.447 1.4985 0.69932 15540 2024-05-07 22:11:12,094 INFO [main.py:798]
{rank 0/64} MD step = 29300 step time: 00:00:00.396610 Performance: 35.826 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-07 22:11:23,450 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 29300 5860 159.33 8281.6 17463 -9181.7 -9181.7 1.4523 1.5032 0.70204 15576 2024-05-07 22:12:02,970 INFO [main.py:798]
{rank 0/64} MD step = 29400 step time: 00:00:00.406515 Performance: 35.819 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-07 22:12:13,054 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 29400 5880 159.95 8376.3 17531 -9154.6 -9154.6 1.4586 1.5074 0.70339 15639 2024-05-07 22:12:52,282 INFO [main.py:798]
{rank 0/64} MD step = 29500 step time: 00:00:00.405971 Performance: 35.816 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-07 22:13:00,550 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 29500 5900 160.1 8385 17547 -9162.5 -9162.5 1.4631 1.512 0.70373 15663 2024-05-07 22:13:40,913 INFO [main.py:798]
{rank 0/64} MD step = 29600 step time: 00:00:00.406687 Performance: 35.816 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-07 22:13:50,849 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 29600 5920 156.48 7919.8 17150 -9230.2 -9230.2 1.4677 1.517 0.70577 15716 2024-05-07 22:14:31,163 INFO [main.py:798]
{rank 0/64} MD step = 29700 step time: 00:00:00.414962 Performance: 35.811 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-07 22:14:41,386 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 29700 5940 160.59 8366.6 17601 -9233.9 -9233.9 1.4716 1.5224 0.70836 15754 2024-05-07 22:15:21,275 INFO [main.py:798]
{rank 0/64} MD step = 29800 step time: 00:00:00.401653 Performance: 35.806 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-07 22:15:48,951 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 29800 5960 158.71 8190.8 17394 -9203.5 -9203.5 1.4749 1.5279 0.71143 15799 2024-05-07 22:16:28,826 INFO [main.py:798]
{rank 0/64} MD step = 29900 step time: 00:00:00.394797 Performance: 35.758 ns/day 0.671 hours/ns 2.069 steps/s 2024-05-07 22:16:39,694 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 29900 5980 159.63 8311.2 17496 -9184.4 -9184.4 1.4786 1.533 0.71268 15846 2024-05-07 22:17:19,296 INFO [main.py:798]
{rank 0/64} MD step = 30000 step time: 00:00:00.365788 Performance: 35.753 ns/day 0.671 hours/ns 2.069 steps/s 2024-05-07 22:17:35,956 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30000 6000 159.19 8212 17447 -9235.1 -9235.1 1.484 1.5385 0.7142 15886 2024-05-07 22:18:16,792 INFO [main.py:798]
{rank 0/64} MD step = 30100 step time: 00:00:00.415310 Performance: 35.730 ns/day 0.672 hours/ns 2.068 steps/s 2024-05-07 22:18:26,744 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30100 6020 159.45 8380 17476 -9096.4 -9096.4 1.4906 1.5419 0.7173 15981 2024-05-07 22:19:07,037 INFO [main.py:798]
{rank 0/64} MD step = 30200 step time: 00:00:00.407118 Performance: 35.726 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-07 22:19:20,047 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30200 6040 158.67 8177.1 17390 -9213.3 -9213.3 1.4969 1.5477 0.72 15964 2024-05-07 22:19:58,386 INFO [main.py:798]
{rank 0/64} MD step = 30300 step time: 00:00:00.390830 Performance: 35.718 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-07 22:20:09,399 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30300 6060 157.43 8083 17255 -9172 -9172 1.5022 1.5517 0.72263 16025 2024-05-07 22:20:49,916 INFO [main.py:798]
{rank 0/64} MD step = 30400 step time: 00:00:00.394572 Performance: 35.711 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-07 22:21:04,909 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30400 6080 158.61 8230.9 17384 -9153.1 -9153.1 1.5072 1.5576 0.72429 16060 2024-05-07 22:21:45,561 INFO [main.py:798]
{rank 0/64} MD step = 30500 step time: 00:00:00.444311 Performance: 35.693 ns/day 0.672 hours/ns 2.066 steps/s 2024-05-07 22:21:59,619 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30500 6100 159.69 8123.8 17502 -9378.4 -9378.4 1.513 1.5634 0.72686 16131 2024-05-07 22:22:40,434 INFO [main.py:798]
{rank 0/64} MD step = 30600 step time: 00:00:00.411906 Performance: 35.678 ns/day 0.673 hours/ns 2.065 steps/s 2024-05-07 22:22:54,800 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30600 6120 158.67 8178.1 17390 -9212.1 -9212.1 1.5182 1.5699 0.72918 16174 2024-05-07 22:23:34,390 INFO [main.py:798]
{rank 0/64} MD step = 30700 step time: 00:00:00.421231 Performance: 35.664 ns/day 0.673 hours/ns 2.064 steps/s 2024-05-07 22:24:03,813 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30700 6140 158.7 8062.1 17394 -9331.6 -9331.6 1.5229 1.5746 0.73168 16228 2024-05-07 22:24:40,515 INFO [main.py:798]
{rank 0/64} MD step = 30800 step time: 00:00:00.413324 Performance: 35.622 ns/day 0.674 hours/ns 2.061 steps/s 2024-05-07 22:24:53,275 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30800 6160 159.9 8309 17526 -9216.7 -9216.7 1.5281 1.579 0.73412 16260 2024-05-07 22:25:33,757 INFO [main.py:798]
{rank 0/64} MD step = 30900 step time: 00:00:00.379802 Performance: 35.611 ns/day 0.674 hours/ns 2.061 steps/s 2024-05-07 22:25:46,737 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 30900 6180 160.77 8453.6 17620 -9166.6 -9166.6 1.5343 1.584 0.73552 16312 2024-05-07 22:26:26,374 INFO [main.py:798]
{rank 0/64} MD step = 31000 step time: 00:00:00.410241 Performance: 35.601 ns/day 0.674 hours/ns 2.060 steps/s 2024-05-07 22:26:43,241 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31000 6200 159.12 8342.3 17440 -9097.9 -9097.9 1.5384 1.5886 0.73772 16376 2024-05-07 22:27:23,751 INFO [main.py:798]
{rank 0/64} MD step = 31100 step time: 00:00:00.411115 Performance: 35.580 ns/day 0.675 hours/ns 2.059 steps/s 2024-05-07 22:27:36,442 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31100 6220 158.95 8212.3 17421 -9208.9 -9208.9 1.5448 1.5922 0.73905 16402 2024-05-07 22:28:15,207 INFO [main.py:798]
{rank 0/64} MD step = 31200 step time: 00:00:00.395190 Performance: 35.574 ns/day 0.675 hours/ns 2.059 steps/s 2024-05-07 22:28:24,039 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31200 6240 157.81 8258.5 17297 -9038 -9038 1.5485 1.5957 0.74187 16442 2024-05-07 22:29:04,834 INFO [main.py:798]
{rank 0/64} MD step = 31300 step time: 00:00:00.408958 Performance: 35.571 ns/day 0.675 hours/ns 2.059 steps/s 2024-05-07 22:29:16,986 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31300 6260 158.53 8207.2 17375 -9168.1 -9168.1 1.5546 1.6021 0.74193 16495 2024-05-07 22:29:57,492 INFO [main.py:798]
{rank 0/64} MD step = 31400 step time: 00:00:00.454691 Performance: 35.562 ns/day 0.675 hours/ns 2.058 steps/s 2024-05-07 22:30:11,734 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31400 6280 161.25 8509.9 17673 -9163.5 -9163.5 1.5583 1.6064 0.74385 16536 2024-05-07 22:30:51,720 INFO [main.py:798]
{rank 0/64} MD step = 31500 step time: 00:00:00.370742 Performance: 35.549 ns/day 0.675 hours/ns 2.057 steps/s 2024-05-07 22:30:59,394 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31500 6300 158.89 8159.7 17415 -9255.2 -9255.2 1.5636 1.6124 0.74648 16606 2024-05-07 22:31:39,493 INFO [main.py:798]
{rank 0/64} MD step = 31600 step time: 00:00:00.417559 Performance: 35.551 ns/day 0.675 hours/ns 2.057 steps/s 2024-05-07 22:31:47,270 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31600 6320 160.29 8448.3 17568 -9119.5 -9119.5 1.5685 1.6168 0.75099 16656 2024-05-07 22:32:27,702 INFO [main.py:798]
{rank 0/64} MD step = 31700 step time: 00:00:00.384291 Performance: 35.551 ns/day 0.675 hours/ns 2.057 steps/s 2024-05-07 22:32:36,974 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31700 6340 160.75 8455.7 17619 -9162.9 -9162.9 1.5745 1.6205 0.75513 16745 2024-05-07 22:33:17,423 INFO [main.py:798]
{rank 0/64} MD step = 31800 step time: 00:00:00.361425 Performance: 35.549 ns/day 0.675 hours/ns 2.057 steps/s 2024-05-07 22:33:30,964 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31800 6360 161.11 8479.9 17658 -9178.2 -9178.2 1.58 1.626 0.75654 16796 2024-05-07 22:34:12,058 INFO [main.py:798]
{rank 0/64} MD step = 31900 step time: 00:00:00.397772 Performance: 35.535 ns/day 0.675 hours/ns 2.056 steps/s 2024-05-07 22:34:23,830 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 31900 6380 160.55 8385.7 17597 -9210.9 -9210.9 1.5873 1.6312 0.75959 16838 2024-05-07 22:35:04,344 INFO [main.py:798]
{rank 0/64} MD step = 32000 step time: 00:00:00.380418 Performance: 35.527 ns/day 0.676 hours/ns 2.056 steps/s 2024-05-07 22:35:15,545 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32000 6400 157.99 8140.2 17316 -9176.1 -9176.1 1.5952 1.6353 0.76088 16858 2024-05-07 22:35:56,344 INFO [main.py:798]
{rank 0/64} MD step = 32100 step time: 00:00:00.386769 Performance: 35.519 ns/day 0.676 hours/ns 2.056 steps/s 2024-05-07 22:36:05,646 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32100 6420 159.52 8267.1 17484 -9216.6 -9216.6 1.6025 1.6404 0.76334 16941 2024-05-07 22:36:45,557 INFO [main.py:798]
{rank 0/64} MD step = 32200 step time: 00:00:00.370779 Performance: 35.518 ns/day 0.676 hours/ns 2.055 steps/s 2024-05-07 22:36:56,270 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32200 6440 160.49 8447.6 17589 -9141.8 -9141.8 1.6067 1.6458 0.76324 16989 2024-05-07 22:37:38,061 INFO [main.py:798]
{rank 0/64} MD step = 32300 step time: 00:00:00.375506 Performance: 35.509 ns/day 0.676 hours/ns 2.055 steps/s 2024-05-07 22:37:49,047 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32300 6460 159.54 8245.7 17485 -9239.7 -9239.7 1.6132 1.6505 0.76435 16999 2024-05-07 22:38:29,624 INFO [main.py:798]
{rank 0/64} MD step = 32400 step time: 00:00:00.377802 Performance: 35.503 ns/day 0.676 hours/ns 2.055 steps/s 2024-05-07 22:38:47,343 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32400 6480 161.72 8631.2 17724 -9093.2 -9093.2 1.6173 1.6539 0.76934 17071 2024-05-07 22:39:27,929 INFO [main.py:798]
{rank 0/64} MD step = 32500 step time: 00:00:00.405621 Performance: 35.481 ns/day 0.676 hours/ns 2.053 steps/s 2024-05-07 22:39:38,440 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32500 6500 160.68 8479.3 17611 -9131.8 -9131.8 1.6236 1.6588 0.77315 17099 2024-05-07 22:40:17,715 INFO [main.py:798]
{rank 0/64} MD step = 32600 step time: 00:00:00.414149 Performance: 35.479 ns/day 0.676 hours/ns 2.053 steps/s 2024-05-07 22:40:29,777 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32600 6520 161.46 8477.2 17696 -9218.7 -9218.7 1.629 1.6639 0.7754 17126 2024-05-07 22:41:09,447 INFO [main.py:798]
{rank 0/64} MD step = 32700 step time: 00:00:00.408686 Performance: 35.472 ns/day 0.677 hours/ns 2.053 steps/s 2024-05-07 22:41:23,198 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32700 6540 159.94 8296.7 17530 -9232.9 -9232.9 1.634 1.67 0.7773 17166 2024-05-07 22:42:03,763 INFO [main.py:798]
{rank 0/64} MD step = 32800 step time: 00:00:00.381630 Performance: 35.459 ns/day 0.677 hours/ns 2.052 steps/s 2024-05-07 22:42:27,976 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32800 6560 162.21 8513.9 17778 -9264 -9264 1.6406 1.6758 0.77738 17223 2024-05-07 22:43:08,863 INFO [main.py:798]
{rank 0/64} MD step = 32900 step time: 00:00:00.434897 Performance: 35.423 ns/day 0.678 hours/ns 2.050 steps/s 2024-05-07 22:43:20,254 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 32900 6580 159.28 8177.2 17457 -9280.2 -9280.2 1.6453 1.682 0.77877 17247 2024-05-07 22:44:01,212 INFO [main.py:798]
{rank 0/64} MD step = 33000 step time: 00:00:00.390791 Performance: 35.415 ns/day 0.678 hours/ns 2.050 steps/s 2024-05-07 22:44:12,776 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33000 6600 159.68 8251.1 17501 -9249.8 -9249.8 1.6512 1.6872 0.7814 17332 2024-05-07 22:44:52,566 INFO [main.py:798]
{rank 0/64} MD step = 33100 step time: 00:00:00.379229 Performance: 35.410 ns/day 0.678 hours/ns 2.049 steps/s 2024-05-07 22:45:06,741 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33100 6620 161.16 8476.9 17663 -9186.4 -9186.4 1.657 1.6933 0.78446 17363 2024-05-07 22:45:46,753 INFO [main.py:798]
{rank 0/64} MD step = 33200 step time: 00:00:00.420968 Performance: 35.398 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-07 22:46:00,829 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33200 6640 159.69 8309.7 17502 -9192.6 -9192.6 1.6632 1.6971 0.78892 17402 2024-05-07 22:46:42,363 INFO [main.py:798]
{rank 0/64} MD step = 33300 step time: 00:00:00.388424 Performance: 35.383 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-07 22:46:52,255 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33300 6660 162.84 8664.3 17848 -9183.7 -9183.7 1.6683 1.7007 0.79032 17461 2024-05-07 22:47:33,261 INFO [main.py:798]
{rank 0/64} MD step = 33400 step time: 00:00:00.382213 Performance: 35.379 ns/day 0.678 hours/ns 2.047 steps/s 2024-05-07 22:47:42,608 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33400 6680 158.75 8270 17399 -9129.5 -9129.5 1.6723 1.7038 0.79284 17526 2024-05-07 22:48:22,756 INFO [main.py:798]
{rank 0/64} MD step = 33500 step time: 00:00:00.361646 Performance: 35.377 ns/day 0.678 hours/ns 2.047 steps/s 2024-05-07 22:48:37,430 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33500 6700 163.81 8740.8 17954 -9213.5 -9213.5 1.6775 1.7105 0.79677 17539 2024-05-07 22:49:17,409 INFO [main.py:798]
{rank 0/64} MD step = 33600 step time: 00:00:00.391396 Performance: 35.365 ns/day 0.679 hours/ns 2.047 steps/s 2024-05-07 22:49:27,377 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33600 6720 161.02 8505.7 17648 -9142.8 -9142.8 1.6812 1.7142 0.79999 17622 2024-05-07 22:50:07,707 INFO [main.py:798]
{rank 0/64} MD step = 33700 step time: 00:00:00.397122 Performance: 35.362 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-07 22:50:19,761 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33700 6740 161.73 8609.4 17726 -9116.6 -9116.6 1.6857 1.7175 0.80231 17703 2024-05-07 22:50:59,835 INFO [main.py:798]
{rank 0/64} MD step = 33800 step time: 00:00:00.397204 Performance: 35.355 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-07 22:51:08,964 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33800 6760 163.6 8834.3 17931 -9096.5 -9096.5 1.6907 1.7206 0.80462 17706 2024-05-07 22:51:48,727 INFO [main.py:798]
{rank 0/64} MD step = 33900 step time: 00:00:00.358064 Performance: 35.355 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-07 22:52:17,583 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 33900 6780 161.63 8490.8 17715 -9224.6 -9224.6 1.6964 1.7266 0.80675 17743 2024-05-07 22:52:57,612 INFO [main.py:798]
{rank 0/64} MD step = 34000 step time: 00:00:00.424949 Performance: 35.312 ns/day 0.680 hours/ns 2.044 steps/s 2024-05-07 22:53:09,053 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34000 6800 161.83 8512.7 17737 -9224.3 -9224.3 1.6994 1.7318 0.80824 17754 2024-05-07 22:53:51,992 INFO [main.py:798]
{rank 0/64} MD step = 34100 step time: 00:00:00.400528 Performance: 35.301 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-07 22:54:10,423 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34100 6820 160.26 8361.5 17565 -9203.5 -9203.5 1.7042 1.7364 0.812 17809 2024-05-07 22:54:51,315 INFO [main.py:798]
{rank 0/64} MD step = 34200 step time: 00:00:00.382005 Performance: 35.279 ns/day 0.680 hours/ns 2.042 steps/s 2024-05-07 22:55:28,556 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34200 6840 159.27 8327.5 17456 -9128.3 -9128.3 1.7093 1.7426 0.81422 17849 2024-05-07 22:56:07,433 INFO [main.py:798]
{rank 0/64} MD step = 34300 step time: 00:00:00.405972 Performance: 35.222 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-07 22:56:19,719 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34300 6860 158.1 8157.9 17328 -9170.4 -9170.4 1.7146 1.7475 0.8165 17902 2024-05-07 22:56:59,195 INFO [main.py:798]
{rank 0/64} MD step = 34400 step time: 00:00:00.424498 Performance: 35.216 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-07 22:57:04,673 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34400 6880 160.66 8506.9 17609 -9101.9 -9101.9 1.7188 1.7535 0.81982 17933 2024-05-07 22:57:45,443 INFO [main.py:798]
{rank 0/64} MD step = 34500 step time: 00:00:00.422748 Performance: 35.222 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-07 22:57:54,945 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34500 6900 162.67 8590.8 17829 -9238.1 -9238.1 1.7239 1.7565 0.82069 18006 2024-05-07 22:58:34,553 INFO [main.py:798]
{rank 0/64} MD step = 34600 step time: 00:00:00.378097 Performance: 35.222 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-07 22:58:43,363 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34600 6920 159.82 8274.8 17516 -9241.7 -9241.7 1.7273 1.7623 0.82378 18053 2024-05-07 22:59:23,420 INFO [main.py:798]
{rank 0/64} MD step = 34700 step time: 00:00:00.389342 Performance: 35.222 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-07 22:59:33,450 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34700 6940 159.3 8177.6 17460 -9282.4 -9282.4 1.7326 1.7669 0.82824 18062 2024-05-07 23:00:14,006 INFO [main.py:798]
{rank 0/64} MD step = 34800 step time: 00:00:00.400308 Performance: 35.219 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-07 23:00:24,524 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34800 6960 161.6 8474 17712 -9238 -9238 1.7391 1.7692 0.83207 18148 2024-05-07 23:01:04,509 INFO [main.py:798]
{rank 0/64} MD step = 34900 step time: 00:00:00.431652 Performance: 35.216 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-07 23:01:12,312 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 34900 6980 159.22 8193.4 17450 -9256.9 -9256.9 1.7447 1.7726 0.83392 18196 2024-05-07 23:01:53,867 INFO [main.py:798]
{rank 0/64} MD step = 35000 step time: 00:00:00.398464 Performance: 35.216 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-07 23:02:02,760 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35000 7000 160.66 8404.1 17609 -9204.5 -9204.5 1.7486 1.779 0.83862 18237 2024-05-07 23:02:43,016 INFO [main.py:798]
{rank 0/64} MD step = 35100 step time: 00:00:00.375378 Performance: 35.216 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-07 23:02:48,923 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35100 7020 159.17 8247.7 17445 -9197.1 -9197.1 1.7534 1.7847 0.84054 18271 2024-05-07 23:03:29,646 INFO [main.py:798]
{rank 0/64} MD step = 35200 step time: 00:00:00.383106 Performance: 35.221 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-07 23:03:36,144 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35200 7040 161.57 8529.8 17708 -9178.6 -9178.6 1.7587 1.7896 0.84271 18298 2024-05-07 23:04:16,591 INFO [main.py:798]
{rank 0/64} MD step = 35300 step time: 00:00:00.394128 Performance: 35.225 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-07 23:04:24,472 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35300 7060 161.85 8584.5 17739 -9154.2 -9154.2 1.765 1.7941 0.84679 18382 2024-05-07 23:05:04,731 INFO [main.py:798]
{rank 0/64} MD step = 35400 step time: 00:00:00.399811 Performance: 35.227 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-07 23:05:11,072 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35400 7080 157.44 8154 17256 -9101.8 -9101.8 1.7702 1.7993 0.84957 18412 2024-05-07 23:05:49,879 INFO [main.py:798]
{rank 0/64} MD step = 35500 step time: 00:00:00.356791 Performance: 35.235 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-07 23:05:55,968 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35500 7100 161.59 8448.1 17710 -9262.4 -9262.4 1.7745 1.8045 0.85239 18410 2024-05-07 23:06:36,651 INFO [main.py:798]
{rank 0/64} MD step = 35600 step time: 00:00:00.396331 Performance: 35.239 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-07 23:06:43,040 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35600 7120 160.47 8504.4 17587 -9083 -9083 1.7782 1.8091 0.85604 18479 2024-05-07 23:07:23,841 INFO [main.py:798]
{rank 0/64} MD step = 35700 step time: 00:00:00.402191 Performance: 35.243 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-07 23:07:31,102 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35700 7140 162.96 8640.2 17861 -9220.7 -9220.7 1.7833 1.8149 0.8605 18503 2024-05-07 23:08:11,469 INFO [main.py:798]
{rank 0/64} MD step = 35800 step time: 00:00:00.414816 Performance: 35.246 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-07 23:08:18,436 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35800 7160 159.08 8182 17435 -9252.8 -9252.8 1.789 1.8181 0.86222 18531 2024-05-07 23:08:58,706 INFO [main.py:798]
{rank 0/64} MD step = 35900 step time: 00:00:00.406918 Performance: 35.249 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-07 23:09:05,197 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 35900 7180 161.18 8495.1 17665 -9170 -9170 1.7928 1.8236 0.86504 18618 2024-05-07 23:09:45,046 INFO [main.py:798]
{rank 0/64} MD step = 36000 step time: 00:00:00.439471 Performance: 35.255 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-07 23:09:55,710 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36000 7200 158.39 8244.2 17359 -9115 -9115 1.7964 1.829 0.86849 18677 2024-05-07 23:10:35,020 INFO [main.py:798]
{rank 0/64} MD step = 36100 step time: 00:00:00.348488 Performance: 35.253 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-07 23:10:43,829 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36100 7220 163.45 8680.5 17914 -9233.5 -9233.5 1.8027 1.8348 0.86816 18722 2024-05-07 23:11:25,251 INFO [main.py:798]
{rank 0/64} MD step = 36200 step time: 00:00:00.383829 Performance: 35.250 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-07 23:11:35,739 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36200 7240 159.88 8230.6 17523 -9292.8 -9292.8 1.8074 1.8424 0.86955 18743 2024-05-07 23:12:17,313 INFO [main.py:798]
{rank 0/64} MD step = 36300 step time: 00:00:00.345803 Performance: 35.244 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-07 23:12:24,750 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36300 7260 157.36 8097.8 17247 -9149.6 -9149.6 1.8127 1.8494 0.87182 18771 2024-05-07 23:13:06,147 INFO [main.py:798]
{rank 0/64} MD step = 36400 step time: 00:00:00.374104 Performance: 35.245 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-07 23:13:12,904 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36400 7280 158.57 8221.2 17379 -9158.3 -9158.3 1.8178 1.8573 0.87313 18818 2024-05-07 23:13:52,763 INFO [main.py:798]
{rank 0/64} MD step = 36500 step time: 00:00:00.370856 Performance: 35.249 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-07 23:14:24,191 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36500 7300 159.34 8288.8 17464 -9175.2 -9175.2 1.8238 1.8621 0.87533 18863 2024-05-07 23:15:04,531 INFO [main.py:798]
{rank 0/64} MD step = 36600 step time: 00:00:00.387394 Performance: 35.205 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-07 23:15:11,957 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36600 7320 158.53 8248.7 17375 -9126.4 -9126.4 1.8295 1.8675 0.87766 18900 2024-05-07 23:15:50,654 INFO [main.py:798]
{rank 0/64} MD step = 36700 step time: 00:00:00.434771 Performance: 35.211 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-07 23:16:09,668 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36700 7340 160.99 8461.7 17644 -9182.5 -9182.5 1.8336 1.873 0.87822 18939 2024-05-07 23:16:49,119 INFO [main.py:798]
{rank 0/64} MD step = 36800 step time: 00:00:00.444844 Performance: 35.192 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-07 23:16:58,565 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36800 7360 162.49 8453.3 17809 -9356.2 -9356.2 1.8384 1.8799 0.88073 18960 2024-05-07 23:17:39,284 INFO [main.py:798]
{rank 0/64} MD step = 36900 step time: 00:00:00.412061 Performance: 35.190 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-07 23:17:48,720 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 36900 7380 158.96 8225 17422 -9197.5 -9197.5 1.8448 1.8848 0.88424 19041 2024-05-07 23:18:29,054 INFO [main.py:798]
{rank 0/64} MD step = 37000 step time: 00:00:00.439686 Performance: 35.189 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-07 23:18:33,606 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 37000 7400 160.77 8341 17620 -9279.4 -9279.4 1.8513 1.8892 0.88773 19059 2024-05-07 23:19:12,870 INFO [main.py:798]
{rank 0/64} MD step = 37100 step time: 00:00:00.385852 Performance: 35.199 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-07 23:19:19,225 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 37100 7420 161.11 8434.7 17657 -9222.8 -9222.8 1.8564 1.8917 0.89133 19103 2024-05-07 23:19:58,524 INFO [main.py:798]
{rank 0/64} MD step = 37200 step time: 00:00:00.413826 Performance: 35.206 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-07 23:20:04,757 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 37200 7440 161.6 8413.4 17712 -9298.5 -9298.5 1.8608 1.8951 0.89342 19134 2024-05-07 23:20:44,699 INFO [main.py:798]
{rank 0/64} MD step = 37300 step time: 00:00:00.407300 Performance: 35.211 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-07 23:20:51,948 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 37300 7460 158.9 8168.4 17415 -9246.8 -9246.8 1.8682 1.8986 0.8955 19199 2024-05-07 23:21:32,375 INFO [main.py:798]
{rank 0/64} MD step = 37400 step time: 00:00:00.416812 Performance: 35.214 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-07 23:21:39,154 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 37400 7480 158.24 8078.2 17343 -9265 -9265 1.8726 1.9037 0.89754 19235 2024-05-07 23:22:19,187 INFO [main.py:798]
{rank 0/64} MD step = 37500 step time: 00:00:00.406711 Performance: 35.218 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-07 23:22:25,641 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 37500 7500 159.53 8210.7 17484 -9273.7 -9273.7 1.8793 1.9087 0.90037 19264 2024-05-07 23:23:06,116 INFO [main.py:798]
{rank 0/64} MD step = 37600 step time: 00:00:00.394861 Performance: 35.223 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-07 23:23:24,905 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 37600 7520 159.68 8177.1 17501 -9323.6 -9323.6 1.8835 1.9146 0.90201 19299 2024-05-07 23:24:04,345 INFO [main.py:798]
{rank 0/64} MD step = 37700 step time: 00:00:00.469805 Performance: 35.205 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-07 23:24:11,468 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 37700 7540 161.97 8581.3 17752 -9170.7 -9170.7 1.8892 1.9196 0.90599 19357 2024-05-07 23:24:51,052 INFO [main.py:798]
{rank 0/64} MD step = 37800 step time: 00:00:00.425582 Performance: 35.210 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-07 23:24:59,575 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 37800 7560 161.23 8498.7 17671 -9172.4 -9172.4 1.8947 1.9229 0.90784 19406 2024-05-07 23:25:38,446 INFO [main.py:798]
{rank 0/64} MD step = 37900 step time: 00:00:00.425719 Performance: 35.213 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-07 23:25:44,583 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 37900 7580 158.49 8100 17370 -9270.2 -9270.2 1.9013 1.9283 0.90877 19421 2024-05-07 23:26:24,238 INFO [main.py:798]
{rank 0/64} MD step = 38000 step time: 00:00:00.431726 Performance: 35.219 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-07 23:26:31,662 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38000 7600 159.57 8286.6 17489 -9202.7 -9202.7 1.9056 1.9334 0.91081 19489 2024-05-07 23:27:11,126 INFO [main.py:798]
{rank 0/64} MD step = 38100 step time: 00:00:00.427956 Performance: 35.223 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-07 23:27:17,646 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38100 7620 160.73 8440 17616 -9176.1 -9176.1 1.9114 1.9371 0.91228 19533 2024-05-07 23:27:57,409 INFO [main.py:798]
{rank 0/64} MD step = 38200 step time: 00:00:00.404709 Performance: 35.228 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-07 23:28:08,611 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38200 7640 157.35 8101.9 17246 -9144.3 -9144.3 1.9161 1.9419 0.91381 19569 2024-05-07 23:28:47,801 INFO [main.py:798]
{rank 0/64} MD step = 38300 step time: 00:00:00.412628 Performance: 35.226 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-07 23:28:54,283 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38300 7660 160.34 8333.5 17573 -9239.9 -9239.9 1.9206 1.9485 0.91548 19631 2024-05-07 23:29:34,318 INFO [main.py:798]
{rank 0/64} MD step = 38400 step time: 00:00:00.411730 Performance: 35.231 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-07 23:29:56,788 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38400 7680 159.93 8369.2 17528 -9159.2 -9159.2 1.9263 1.9541 0.92013 19679 2024-05-07 23:30:38,237 INFO [main.py:798]
{rank 0/64} MD step = 38500 step time: 00:00:00.399070 Performance: 35.203 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-07 23:30:42,756 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38500 7700 158.04 7987.6 17322 -9334.3 -9334.3 1.9315 1.96 0.92158 19693 2024-05-07 23:31:24,745 INFO [main.py:798]
{rank 0/64} MD step = 38600 step time: 00:00:00.392703 Performance: 35.208 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-07 23:31:30,428 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38600 7720 157.07 8089.6 17216 -9126 -9126 1.937 1.9656 0.92346 19790 2024-05-07 23:32:08,905 INFO [main.py:798]
{rank 0/64} MD step = 38700 step time: 00:00:00.367364 Performance: 35.217 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-07 23:32:29,317 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38700 7740 160.72 8429.4 17616 -9186.2 -9186.2 1.9423 1.9709 0.928 19826 2024-05-07 23:33:08,261 INFO [main.py:798]
{rank 0/64} MD step = 38800 step time: 00:00:00.378231 Performance: 35.198 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-07 23:33:19,858 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38800 7760 161.68 8453.6 17720 -9266.7 -9266.7 1.949 1.977 0.93198 19873 2024-05-07 23:33:58,784 INFO [main.py:798]
{rank 0/64} MD step = 38900 step time: 00:00:00.405072 Performance: 35.195 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-07 23:34:03,798 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 38900 7780 160.62 8496.6 17604 -9107.2 -9107.2 1.9548 1.9807 0.93487 19914 2024-05-07 23:34:45,912 INFO [main.py:798]
{rank 0/64} MD step = 39000 step time: 00:00:00.410519 Performance: 35.199 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-07 23:34:55,618 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 39000 7800 159.76 8317.7 17509 -9191.7 -9191.7 1.9598 1.9865 0.93601 19984 2024-05-07 23:35:35,987 INFO [main.py:798]
{rank 0/64} MD step = 39100 step time: 00:00:00.414658 Performance: 35.197 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-07 23:35:44,022 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 39100 7820 161 8365.4 17646 -9280.7 -9280.7 1.9661 1.9911 0.93983 19993 2024-05-07 23:36:23,974 INFO [main.py:798]
{rank 0/64} MD step = 39200 step time: 00:00:00.388055 Performance: 35.199 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-07 23:36:29,786 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 39200 7840 158.22 8106.3 17341 -9235.1 -9235.1 1.972 1.9974 0.94121 20056 2024-05-07 23:37:11,529 INFO [main.py:798]
{rank 0/64} MD step = 39300 step time: 00:00:00.428161 Performance: 35.202 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-07 23:37:18,846 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 39300 7860 160.58 8271.1 17599 -9328.2 -9328.2 1.9768 2.003 0.94379 20125 2024-05-07 23:37:58,773 INFO [main.py:798]
{rank 0/64} MD step = 39400 step time: 00:00:00.368485 Performance: 35.205 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-07 23:38:05,264 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 39400 7880 161.12 8437.4 17659 -9221.2 -9221.2 1.9827 2.0066 0.94573 20180 2024-05-07 23:38:43,817 INFO [main.py:798]
{rank 0/64} MD step = 39500 step time: 00:00:00.338106 Performance: 35.212 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-07 23:38:51,766 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 39500 7900 160.39 8327.4 17579 -9251.7 -9251.7 1.9867 2.0115 0.94819 20232 2024-05-07 23:39:32,068 INFO [main.py:798]
{rank 0/64} MD step = 39600 step time: 00:00:00.379794 Performance: 35.214 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-07 23:39:38,702 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 39600 7920 157.93 8135.8 17309 -9173.4 -9173.4 1.9928 2.0177 0.95003 20276 2024-05-07 23:40:20,694 INFO [main.py:798]
{rank 0/64} MD step = 39700 step time: 00:00:00.377723 Performance: 35.215 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-07 23:40:35,717 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 39700 7940 159.02 8372 17429 -9057.2 -9057.2 1.9991 2.0239 0.95217 20311 2024-05-07 23:41:15,819 INFO [main.py:798]
{rank 0/64} MD step = 39800 step time: 00:00:00.443670 Performance: 35.204 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-07 23:41:26,605 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 39800 7960 160.85 8422.3 17629 -9207.1 -9207.1 2.0023 2.0295 0.95373 20355 2024-05-07 23:42:05,278 INFO [main.py:798]
{rank 0/64} MD step = 39900 step time: 00:00:00.413343 Performance: 35.203 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-07 23:42:14,477 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 39900 7980 158.49 8239.2 17371 -9131.4 -9131.4 2.0066 2.0342 0.95588 20382 2024-05-07 23:42:53,674 INFO [main.py:798]
{rank 0/64} MD step = 40000 step time: 00:00:00.457389 Performance: 35.204 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-07 23:43:02,693 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 40000 8000 159.55 8388 17487 -9098.8 -9098.8 2.0122 2.0391 0.95855 20419 2024-05-07 23:43:41,867 INFO [main.py:798]
{rank 0/64} MD step = 40100 step time: 00:00:00.398660 Performance: 35.206 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-07 23:43:51,013 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 40100 8020 158.85 8230.8 17410 -9178.9 -9178.9 2.0166 2.0448 0.96036 20504 2024-05-07 23:44:30,388 INFO [main.py:798]
{rank 0/64} MD step = 40200 step time: 00:00:00.412127 Performance: 35.207 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-07 23:44:37,522 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 40200 8040 159.51 8296.1 17483 -9186.7 -9186.7 2.0211 2.049 0.96074 20542 2024-05-07 23:45:18,350 INFO [main.py:798]
{rank 0/64} MD step = 40300 step time: 00:00:00.393672 Performance: 35.209 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-07 23:45:24,290 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 40300 8060 160.08 8246.5 17545 -9298.6 -9298.6 2.0259 2.0565 0.96291 20611 2024-05-07 23:46:04,978 INFO [main.py:798]
{rank 0/64} MD step = 40400 step time: 00:00:00.393065 Performance: 35.213 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-07 23:46:11,846 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 40400 8080 163.55 8761.3 17925 -9163.8 -9163.8 2.031 2.0607 0.96485 20635 2024-05-07 23:46:52,250 INFO [main.py:798]
{rank 0/64} MD step = 40500 step time: 00:00:00.400590 Performance: 35.216 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-07 23:46:59,138 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 40500 8100 161.54 8562.3 17705 -9142.3 -9142.3 2.0349 2.0659 0.96828 20668 2024-05-07 23:47:39,043 INFO [main.py:798]
{rank 0/64} MD step = 40600 step time: 00:00:00.394910 Performance: 35.221 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-07 23:47:45,416 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 40600 8120 159.25 8195.6 17454 -9258.3 -9258.3 2.0403 2.0717 0.96994 20720 2024-05-07 23:48:26,094 INFO [main.py:798]
{rank 0/64} MD step = 40700 step time: 00:00:00.406865 Performance: 35.224 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-07 23:48:36,451 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 40700 8140 161.52 8582.5 17703 -9120.6 -9120.6 2.0432 2.0767 0.9724 20761 2024-05-07 23:49:16,872 INFO [main.py:798]
{rank 0/64} MD step = 40800 step time: 00:00:00.406395 Performance: 35.221 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-07 23:49:24,477 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 40800 8160 159.14 8311.2 17442 -9130.5 -9130.5 2.049 2.0823 0.97365 20816 2024-05-07 23:50:04,790 INFO [main.py:798]
{rank 0/64} MD step = 40900 step time: 00:00:00.416839 Performance: 35.223 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-07 23:50:14,926 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 40900 8180 160.46 8346.5 17587 -9240.1 -9240.1 2.0534 2.0879 0.97666 20831 2024-05-07 23:50:54,907 INFO [main.py:798]
{rank 0/64} MD step = 41000 step time: 00:00:00.381536 Performance: 35.221 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-07 23:51:02,578 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 41000 8200 160.92 8440.8 17637 -9196.2 -9196.2 2.0602 2.0944 0.98002 20905 2024-05-07 23:51:41,641 INFO [main.py:798]
{rank 0/64} MD step = 41100 step time: 00:00:00.377053 Performance: 35.225 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-07 23:51:51,955 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 41100 8220 160.96 8481.5 17641 -9159.9 -9159.9 2.0629 2.0987 0.98375 20936 2024-05-07 23:52:31,623 INFO [main.py:798]
{rank 0/64} MD step = 41200 step time: 00:00:00.395187 Performance: 35.224 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-07 23:52:38,270 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 41200 8240 161.08 8390.4 17654 -9263.7 -9263.7 2.0696 2.1026 0.98579 21006 2024-05-07 23:53:19,129 INFO [main.py:798]
{rank 0/64} MD step = 41300 step time: 00:00:00.379143 Performance: 35.226 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-07 23:53:25,406 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 41300 8260 159.83 8248.2 17518 -9269.7 -9269.7 2.0723 2.1071 0.9868 21044 2024-05-07 23:54:06,410 INFO [main.py:798]
{rank 0/64} MD step = 41400 step time: 00:00:00.405189 Performance: 35.229 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-07 23:54:26,272 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 41400 8280 161.99 8460.9 17754 -9293.5 -9293.5 2.08 2.112 0.9892 21076 2024-05-07 23:55:07,946 INFO [main.py:798]
{rank 0/64} MD step = 41500 step time: 00:00:00.393350 Performance: 35.208 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-07 23:55:16,370 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 41500 8300 159.77 8367.5 17511 -9143.7 -9143.7 2.0845 2.1186 0.99198 21123 2024-05-07 23:55:56,852 INFO [main.py:798]
{rank 0/64} MD step = 41600 step time: 00:00:00.400154 Performance: 35.208 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-07 23:56:07,947 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 41600 8320 160.54 8453.1 17596 -9142.6 -9142.6 2.0917 2.1237 0.99457 21176 2024-05-07 23:56:47,189 INFO [main.py:798]
{rank 0/64} MD step = 41700 step time: 00:00:00.422399 Performance: 35.206 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-07 23:56:50,962 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 41700 8340 160.54 8410.7 17595 -9184.4 -9184.4 2.0964 2.1299 0.99427 21267 2024-05-07 23:57:32,970 INFO [main.py:798]
{rank 0/64} MD step = 41800 step time: 00:00:00.392670 Performance: 35.212 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-07 23:57:46,687 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 41800 8360 159.74 8294.4 17508 -9213.4 -9213.4 2.0994 2.1353 0.99659 21294 2024-05-07 23:58:27,246 INFO [main.py:798]
{rank 0/64} MD step = 41900 step time: 00:00:00.401509 Performance: 35.203 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-07 23:58:35,783 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 41900 8380 157.76 8147 17291 -9143.7 -9143.7 2.1057 2.1402 1.0015 21370 2024-05-07 23:59:17,002 INFO [main.py:798]
{rank 0/64} MD step = 42000 step time: 00:00:00.403437 Performance: 35.202 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-07 23:59:28,689 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 42000 8400 161.08 8392 17655 -9262.7 -9262.7 2.1118 2.1458 1.0027 21409 2024-05-08 00:00:09,111 INFO [main.py:798]
{rank 0/64} MD step = 42100 step time: 00:00:00.362185 Performance: 35.196 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 00:00:16,334 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 42100 8420 159.28 8201.6 17457 -9255.8 -9255.8 2.1156 2.1514 1.0039 21446 2024-05-08 00:00:56,276 INFO [main.py:798]
{rank 0/64} MD step = 42200 step time: 00:00:00.366535 Performance: 35.200 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 00:01:03,456 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 42200 8440 157.74 8001.3 17289 -9287.5 -9287.5 2.1215 2.1564 1.0074 21488 2024-05-08 00:01:43,924 INFO [main.py:798]
{rank 0/64} MD step = 42300 step time: 00:00:00.384608 Performance: 35.202 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 00:01:51,969 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 42300 8460 159.25 8153.8 17454 -9299.7 -9299.7 2.1254 2.1617 1.0109 21550 2024-05-08 00:02:32,841 INFO [main.py:798]
{rank 0/64} MD step = 42400 step time: 00:00:00.384684 Performance: 35.202 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 00:02:44,277 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 42400 8480 158.73 8245.4 17397 -9152 -9152 2.1311 2.1671 1.0124 21573 2024-05-08 00:03:24,843 INFO [main.py:798]
{rank 0/64} MD step = 42500 step time: 00:00:00.374388 Performance: 35.198 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 00:03:33,513 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 42500 8500 161.12 8560.1 17658 -9098.3 -9098.3 2.1381 2.1719 1.0177 21639 2024-05-08 00:04:13,443 INFO [main.py:798]
{rank 0/64} MD step = 42600 step time: 00:00:00.355131 Performance: 35.198 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 00:04:29,834 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 42600 8520 159.73 8398.7 17507 -9108.3 -9108.3 2.1446 2.1783 1.0229 21667 2024-05-08 00:05:10,942 INFO [main.py:798]
{rank 0/64} MD step = 42700 step time: 00:00:00.385420 Performance: 35.184 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-08 00:05:18,632 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 42700 8540 158.88 8125.8 17414 -9288 -9288 2.1498 2.1858 1.0259 21694 2024-05-08 00:05:58,369 INFO [main.py:798]
{rank 0/64} MD step = 42800 step time: 00:00:00.428748 Performance: 35.187 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-08 00:06:09,143 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 42800 8560 157.21 8010.1 17230 -9220.2 -9220.2 2.1543 2.1924 1.0288 21744 2024-05-08 00:06:50,224 INFO [main.py:798]
{rank 0/64} MD step = 42900 step time: 00:00:00.389681 Performance: 35.182 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-08 00:06:57,885 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 42900 8580 163.06 8692 17872 -9179.6 -9179.6 2.1593 2.1983 1.0333 21802 2024-05-08 00:07:36,988 INFO [main.py:798]
{rank 0/64} MD step = 43000 step time: 00:00:00.403966 Performance: 35.186 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-08 00:07:44,529 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 43000 8600 158.69 8230.1 17393 -9162.9 -9162.9 2.1645 2.206 1.037 21848 2024-05-08 00:08:24,691 INFO [main.py:798]
{rank 0/64} MD step = 43100 step time: 00:00:00.396658 Performance: 35.189 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-08 00:08:33,300 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 43100 8620 160.21 8251 17560 -9308.6 -9308.6 2.1689 2.2106 1.0398 21883 2024-05-08 00:09:13,397 INFO [main.py:798]
{rank 0/64} MD step = 43200 step time: 00:00:00.399857 Performance: 35.189 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-08 00:09:24,048 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 43200 8640 157.8 8054.3 17295 -9241.1 -9241.1 2.1749 2.2179 1.0415 21953 2024-05-08 00:10:02,432 INFO [main.py:798]
{rank 0/64} MD step = 43300 step time: 00:00:00.396985 Performance: 35.190 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-08 00:10:18,006 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 43300 8660 161.14 8529.8 17662 -9131.8 -9131.8 2.1818 2.2225 1.0427 21997 2024-05-08 00:10:58,115 INFO [main.py:798]
{rank 0/64} MD step = 43400 step time: 00:00:00.377794 Performance: 35.179 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-08 00:11:16,096 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 43400 8680 160.15 8317.2 17553 -9235.5 -9235.5 2.1877 2.2292 1.0445 22005 2024-05-08 00:11:55,142 INFO [main.py:798]
{rank 0/64} MD step = 43500 step time: 00:00:00.386507 Performance: 35.166 ns/day 0.682 hours/ns 2.035 steps/s 2024-05-08 00:12:05,171 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 43500 8700 158.18 8202.8 17337 -9134.1 -9134.1 2.1928 2.2341 1.0472 22068 2024-05-08 00:12:44,478 INFO [main.py:798]
{rank 0/64} MD step = 43600 step time: 00:00:00.398898 Performance: 35.165 ns/day 0.682 hours/ns 2.035 steps/s 2024-05-08 00:12:52,458 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 43600 8720 160.1 8304.1 17548 -9243.4 -9243.4 2.1975 2.2393 1.0481 22100 2024-05-08 00:13:31,994 INFO [main.py:798]
{rank 0/64} MD step = 43700 step time: 00:00:00.378509 Performance: 35.168 ns/day 0.682 hours/ns 2.035 steps/s 2024-05-08 00:13:39,108 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 43700 8740 160.64 8419.4 17607 -9187.1 -9187.1 2.2025 2.2428 1.0516 22157 2024-05-08 00:14:21,444 INFO [main.py:798]
{rank 0/64} MD step = 43800 step time: 00:00:00.387279 Performance: 35.167 ns/day 0.682 hours/ns 2.035 steps/s 2024-05-08 00:14:31,491 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 43800 8760 160.93 8343.3 17638 -9294.5 -9294.5 2.2066 2.2467 1.055 22188 2024-05-08 00:15:11,075 INFO [main.py:798]
{rank 0/64} MD step = 43900 step time: 00:00:00.398155 Performance: 35.167 ns/day 0.682 hours/ns 2.035 steps/s 2024-05-08 00:15:18,161 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 43900 8780 162.47 8639.1 17807 -9167.6 -9167.6 2.21 2.2515 1.0583 22210 2024-05-08 00:15:57,736 INFO [main.py:798]
{rank 0/64} MD step = 44000 step time: 00:00:00.395384 Performance: 35.171 ns/day 0.682 hours/ns 2.035 steps/s 2024-05-08 00:16:04,656 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44000 8800 161.2 8472.4 17668 -9195.8 -9195.8 2.2138 2.2579 1.0617 22274 2024-05-08 00:16:43,333 INFO [main.py:798]
{rank 0/64} MD step = 44100 step time: 00:00:00.394377 Performance: 35.176 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-08 00:16:49,878 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44100 8820 160.84 8426.4 17629 -9202.2 -9202.2 2.2177 2.2635 1.0618 22285 2024-05-08 00:17:28,210 INFO [main.py:798]
{rank 0/64} MD step = 44200 step time: 00:00:00.363154 Performance: 35.183 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-08 00:17:36,815 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44200 8840 160.86 8293.1 17631 -9337.7 -9337.7 2.2229 2.2702 1.0628 22318 2024-05-08 00:18:14,886 INFO [main.py:798]
{rank 0/64} MD step = 44300 step time: 00:00:00.375454 Performance: 35.187 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-08 00:18:21,684 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44300 8860 159.84 8376.6 17519 -9142.4 -9142.4 2.2268 2.2741 1.065 22382 2024-05-08 00:19:02,664 INFO [main.py:798]
{rank 0/64} MD step = 44400 step time: 00:00:00.390644 Performance: 35.189 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-08 00:19:10,791 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44400 8880 158.38 8155.3 17358 -9202.8 -9202.8 2.2324 2.28 1.0698 22404 2024-05-08 00:19:49,192 INFO [main.py:798]
{rank 0/64} MD step = 44500 step time: 00:00:00.380077 Performance: 35.194 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 00:19:55,890 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44500 8900 162.18 8486.9 17775 -9288.1 -9288.1 2.2366 2.2842 1.0731 22448 2024-05-08 00:20:34,300 INFO [main.py:798]
{rank 0/64} MD step = 44600 step time: 00:00:00.383526 Performance: 35.200 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 00:20:40,474 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44600 8920 160.03 8386 17539 -9153.5 -9153.5 2.2418 2.2893 1.0755 22514 2024-05-08 00:21:19,416 INFO [main.py:798]
{rank 0/64} MD step = 44700 step time: 00:00:00.406282 Performance: 35.206 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 00:21:25,879 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44700 8940 160.86 8514.4 17631 -9116.3 -9116.3 2.2465 2.2963 1.0781 22567 2024-05-08 00:22:04,428 INFO [main.py:798]
{rank 0/64} MD step = 44800 step time: 00:00:00.361397 Performance: 35.213 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-08 00:22:10,938 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44800 8960 158.24 8132.2 17343 -9211.2 -9211.2 2.2516 2.3017 1.0795 22609 2024-05-08 00:22:49,210 INFO [main.py:798]
{rank 0/64} MD step = 44900 step time: 00:00:00.350431 Performance: 35.220 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 00:22:57,678 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 44900 8980 159.19 8178.6 17448 -9269 -9269 2.2556 2.3058 1.0817 22656 2024-05-08 00:23:35,426 INFO [main.py:798]
{rank 0/64} MD step = 45000 step time: 00:00:00.388756 Performance: 35.224 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 00:23:44,372 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45000 9000 160.49 8435.6 17590 -9154 -9154 2.2614 2.3107 1.0819 22709 2024-05-08 00:24:23,579 INFO [main.py:798]
{rank 0/64} MD step = 45100 step time: 00:00:00.418860 Performance: 35.226 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 00:24:31,265 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45100 9020 158.99 8293.3 17425 -9131.7 -9131.7 2.2682 2.3153 1.085 22729 2024-05-08 00:25:08,852 INFO [main.py:798]
{rank 0/64} MD step = 45200 step time: 00:00:00.369963 Performance: 35.232 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 00:25:16,880 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45200 9040 160.88 8386.5 17633 -9246.4 -9246.4 2.2736 2.3202 1.0883 22782 2024-05-08 00:25:55,771 INFO [main.py:798]
{rank 0/64} MD step = 45300 step time: 00:00:00.379458 Performance: 35.235 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 00:26:10,247 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45300 9060 156.55 7833.4 17158 -9324.6 -9324.6 2.2787 2.3265 1.0902 22784 2024-05-08 00:26:48,974 INFO [main.py:798]
{rank 0/64} MD step = 45400 step time: 00:00:00.390883 Performance: 35.229 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 00:27:02,648 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45400 9080 159.5 8281.6 17481 -9199.6 -9199.6 2.2825 2.3326 1.0942 22846 2024-05-08 00:27:41,396 INFO [main.py:798]
{rank 0/64} MD step = 45500 step time: 00:00:00.413241 Performance: 35.223 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 00:27:54,486 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45500 9100 161.2 8436.2 17668 -9231.9 -9231.9 2.2881 2.3363 1.0962 22877 2024-05-08 00:28:31,693 INFO [main.py:798]
{rank 0/64} MD step = 45600 step time: 00:00:00.380827 Performance: 35.221 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 00:28:42,203 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45600 9120 159.3 8385.1 17460 -9074.8 -9074.8 2.2936 2.3422 1.0992 22936 2024-05-08 00:29:19,215 INFO [main.py:798]
{rank 0/64} MD step = 45700 step time: 00:00:00.373344 Performance: 35.224 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 00:29:30,355 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45700 9140 161.03 8364.7 17650 -9284.8 -9284.8 2.2978 2.3464 1.1008 22959 2024-05-08 00:30:08,468 INFO [main.py:798]
{rank 0/64} MD step = 45800 step time: 00:00:00.372341 Performance: 35.223 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 00:30:15,760 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45800 9160 158.96 8220.6 17422 -9201.1 -9201.1 2.3041 2.3523 1.1028 22990 2024-05-08 00:30:55,203 INFO [main.py:798]
{rank 0/64} MD step = 45900 step time: 00:00:00.399954 Performance: 35.227 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 00:31:05,069 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 45900 9180 160.46 8342.7 17586 -9243.6 -9243.6 2.3109 2.3557 1.1056 23049 2024-05-08 00:31:43,029 INFO [main.py:798]
{rank 0/64} MD step = 46000 step time: 00:00:00.412385 Performance: 35.229 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 00:31:50,165 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46000 9200 159.76 8266.1 17510 -9244.1 -9244.1 2.3164 2.3615 1.1078 23121 2024-05-08 00:32:27,126 INFO [main.py:798]
{rank 0/64} MD step = 46100 step time: 00:00:00.370157 Performance: 35.237 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 00:32:41,098 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46100 9220 158.67 8186.7 17390 -9203.2 -9203.2 2.3225 2.3681 1.1102 23173 2024-05-08 00:33:18,615 INFO [main.py:798]
{rank 0/64} MD step = 46200 step time: 00:00:00.397645 Performance: 35.233 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 00:33:30,821 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46200 9240 161.49 8514.1 17699 -9185.2 -9185.2 2.3286 2.3721 1.1134 23234 2024-05-08 00:34:07,168 INFO [main.py:798]
{rank 0/64} MD step = 46300 step time: 00:00:00.363283 Performance: 35.234 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 00:34:20,766 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46300 9260 159.36 8356.9 17466 -9109.5 -9109.5 2.3337 2.3785 1.1171 23308 2024-05-08 00:34:58,274 INFO [main.py:798]
{rank 0/64} MD step = 46400 step time: 00:00:00.387004 Performance: 35.230 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 00:35:13,405 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46400 9280 158.15 8237 17334 -9096.7 -9096.7 2.3401 2.3853 1.1203 23347 2024-05-08 00:35:51,139 INFO [main.py:798]
{rank 0/64} MD step = 46500 step time: 00:00:00.371565 Performance: 35.224 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 00:35:58,262 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46500 9300 161.28 8398.2 17677 -9278.5 -9278.5 2.3453 2.3914 1.1231 23384 2024-05-08 00:36:39,253 INFO [main.py:798]
{rank 0/64} MD step = 46600 step time: 00:00:00.355037 Performance: 35.226 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 00:36:48,408 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46600 9320 161.74 8563.6 17727 -9163.6 -9163.6 2.3521 2.3962 1.1248 23421 2024-05-08 00:37:25,899 INFO [main.py:798]
{rank 0/64} MD step = 46700 step time: 00:00:00.367313 Performance: 35.230 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 00:37:33,195 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46700 9340 160.35 8378 17574 -9196.4 -9196.4 2.3577 2.4023 1.1282 23450 2024-05-08 00:38:11,305 INFO [main.py:798]
{rank 0/64} MD step = 46800 step time: 00:00:00.351569 Performance: 35.235 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 00:38:18,361 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46800 9360 160.77 8338.2 17621 -9282.7 -9282.7 2.3627 2.4092 1.1288 23484 2024-05-08 00:38:58,790 INFO [main.py:798]
{rank 0/64} MD step = 46900 step time: 00:00:00.398837 Performance: 35.238 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 00:39:09,337 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 46900 9380 159.96 8266.9 17532 -9264.7 -9264.7 2.3684 2.4135 1.134 23528 2024-05-08 00:39:47,642 INFO [main.py:798]
{rank 0/64} MD step = 47000 step time: 00:00:00.403161 Performance: 35.238 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 00:39:53,965 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47000 9400 159.57 8300.8 17489 -9188.3 -9188.3 2.373 2.419 1.1377 23600 2024-05-08 00:40:28,879 INFO [main.py:798]
{rank 0/64} MD step = 47100 step time: 00:00:00.343552 Performance: 35.250 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 00:40:36,708 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47100 9420 158.75 8275.2 17399 -9123.7 -9123.7 2.3791 2.4243 1.1412 23642 2024-05-08 00:41:12,858 INFO [main.py:798]
{rank 0/64} MD step = 47200 step time: 00:00:00.413310 Performance: 35.257 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 00:41:19,711 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47200 9440 161.64 8426.5 17716 -9289.6 -9289.6 2.3848 2.4299 1.1442 23658 2024-05-08 00:41:56,415 INFO [main.py:798]
{rank 0/64} MD step = 47300 step time: 00:00:00.335492 Performance: 35.266 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 00:42:04,905 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47300 9460 158.95 8232.6 17421 -9188.3 -9188.3 2.39 2.4346 1.1474 23682 2024-05-08 00:42:40,260 INFO [main.py:798]
{rank 0/64} MD step = 47400 step time: 00:00:00.364840 Performance: 35.274 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-08 00:42:48,145 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47400 9480 158.54 8170.3 17376 -9205.4 -9205.4 2.3952 2.4398 1.1498 23745 2024-05-08 00:43:24,442 INFO [main.py:798]
{rank 0/64} MD step = 47500 step time: 00:00:00.388966 Performance: 35.281 ns/day 0.680 hours/ns 2.042 steps/s 2024-05-08 00:43:32,051 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47500 9500 163.03 8686.4 17868 -9182.1 -9182.1 2.3998 2.4455 1.1516 23784 2024-05-08 00:44:07,354 INFO [main.py:798]
{rank 0/64} MD step = 47600 step time: 00:00:00.391925 Performance: 35.290 ns/day 0.680 hours/ns 2.042 steps/s 2024-05-08 00:44:14,276 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47600 9520 161.01 8438.2 17647 -9209 -9209 2.4019 2.4498 1.1543 23784 2024-05-08 00:44:55,075 INFO [main.py:798]
{rank 0/64} MD step = 47700 step time: 00:00:00.361426 Performance: 35.292 ns/day 0.680 hours/ns 2.042 steps/s 2024-05-08 00:45:01,958 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47700 9540 159.66 8461.1 17499 -9037.8 -9037.8 2.407 2.4542 1.1565 23858 2024-05-08 00:45:39,314 INFO [main.py:798]
{rank 0/64} MD step = 47800 step time: 00:00:00.365720 Performance: 35.299 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-08 00:45:45,882 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47800 9560 159.02 8205.8 17429 -9222.9 -9222.9 2.4093 2.4571 1.1576 23892 2024-05-08 00:46:23,623 INFO [main.py:798]
{rank 0/64} MD step = 47900 step time: 00:00:00.384217 Performance: 35.306 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-08 00:46:31,158 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 47900 9580 160.19 8343.9 17557 -9213 -9213 2.4125 2.4628 1.1625 23934 2024-05-08 00:47:09,138 INFO [main.py:798]
{rank 0/64} MD step = 48000 step time: 00:00:00.393246 Performance: 35.311 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-08 00:47:16,500 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48000 9600 161.39 8434 17688 -9254 -9254 2.4184 2.466 1.1658 23948 2024-05-08 00:47:55,280 INFO [main.py:798]
{rank 0/64} MD step = 48100 step time: 00:00:00.366638 Performance: 35.315 ns/day 0.680 hours/ns 2.044 steps/s 2024-05-08 00:48:01,739 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48100 9620 160.12 8287 17549 -9262.2 -9262.2 2.4233 2.4712 1.1682 23972 2024-05-08 00:48:39,636 INFO [main.py:798]
{rank 0/64} MD step = 48200 step time: 00:00:00.336596 Performance: 35.322 ns/day 0.679 hours/ns 2.044 steps/s 2024-05-08 00:48:48,963 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48200 9640 159.41 8257.7 17471 -9213.6 -9213.6 2.429 2.4752 1.1705 24029 2024-05-08 00:49:27,795 INFO [main.py:798]
{rank 0/64} MD step = 48300 step time: 00:00:00.403153 Performance: 35.323 ns/day 0.679 hours/ns 2.044 steps/s 2024-05-08 00:49:34,503 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48300 9660 159.27 8295.8 17456 -9160.7 -9160.7 2.433 2.4819 1.1731 24061 2024-05-08 00:50:12,678 INFO [main.py:798]
{rank 0/64} MD step = 48400 step time: 00:00:00.406361 Performance: 35.329 ns/day 0.679 hours/ns 2.045 steps/s 2024-05-08 00:50:19,605 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48400 9680 160.82 8491.6 17626 -9134.1 -9134.1 2.4371 2.4875 1.1737 24143 2024-05-08 00:50:56,725 INFO [main.py:798]
{rank 0/64} MD step = 48500 step time: 00:00:00.376368 Performance: 35.337 ns/day 0.679 hours/ns 2.045 steps/s 2024-05-08 00:51:05,141 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48500 9700 160.91 8329.1 17636 -9306.7 -9306.7 2.4419 2.4925 1.1751 24146 2024-05-08 00:51:44,728 INFO [main.py:798]
{rank 0/64} MD step = 48600 step time: 00:00:00.383914 Performance: 35.338 ns/day 0.679 hours/ns 2.045 steps/s 2024-05-08 00:51:51,884 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48600 9720 159.16 8268.5 17444 -9175.3 -9175.3 2.4472 2.4976 1.1768 24215 2024-05-08 00:52:27,705 INFO [main.py:798]
{rank 0/64} MD step = 48700 step time: 00:00:00.381643 Performance: 35.347 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 00:52:37,099 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48700 9740 160.3 8301.9 17569 -9267.2 -9267.2 2.453 2.502 1.1787 24258 2024-05-08 00:53:16,148 INFO [main.py:798]
{rank 0/64} MD step = 48800 step time: 00:00:00.388677 Performance: 35.347 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 00:53:27,808 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48800 9760 160.45 8448.8 17585 -9136.5 -9136.5 2.4597 2.5072 1.1809 24311 2024-05-08 00:54:06,680 INFO [main.py:798]
{rank 0/64} MD step = 48900 step time: 00:00:00.394883 Performance: 35.345 ns/day 0.679 hours/ns 2.045 steps/s 2024-05-08 00:54:15,202 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 48900 9780 160.58 8390.4 17599 -9208.9 -9208.9 2.4646 2.5128 1.1822 24382 2024-05-08 00:54:54,496 INFO [main.py:798]
{rank 0/64} MD step = 49000 step time: 00:00:00.382200 Performance: 35.347 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 00:55:04,167 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49000 9800 161.17 8485.1 17664 -9178.9 -9178.9 2.4687 2.5184 1.1853 24415 2024-05-08 00:55:39,789 INFO [main.py:798]
{rank 0/64} MD step = 49100 step time: 00:00:00.375461 Performance: 35.352 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 00:55:49,195 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49100 9820 158.95 8110.9 17421 -9309.9 -9309.9 2.4735 2.5228 1.1871 24436 2024-05-08 00:56:28,175 INFO [main.py:798]
{rank 0/64} MD step = 49200 step time: 00:00:00.372047 Performance: 35.353 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 00:56:38,138 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49200 9840 159.43 8303.9 17474 -9170.4 -9170.4 2.4791 2.5274 1.1894 24491 2024-05-08 00:57:17,230 INFO [main.py:798]
{rank 0/64} MD step = 49300 step time: 00:00:00.364223 Performance: 35.352 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 00:57:25,132 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49300 9860 161.48 8562.4 17698 -9135.8 -9135.8 2.4854 2.5315 1.1918 24516 2024-05-08 00:58:02,659 INFO [main.py:798]
{rank 0/64} MD step = 49400 step time: 00:00:00.373987 Performance: 35.357 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 00:58:12,752 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49400 9880 160.82 8400.7 17626 -9225.5 -9225.5 2.4898 2.5376 1.1937 24579 2024-05-08 00:58:50,225 INFO [main.py:798]
{rank 0/64} MD step = 49500 step time: 00:00:00.345057 Performance: 35.359 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 00:58:57,521 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49500 9900 161.35 8473.1 17685 -9211.5 -9211.5 2.4942 2.5446 1.1956 24606 2024-05-08 00:59:33,302 INFO [main.py:798]
{rank 0/64} MD step = 49600 step time: 00:00:00.351745 Performance: 35.368 ns/day 0.679 hours/ns 2.047 steps/s 2024-05-08 00:59:42,640 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49600 9920 159.61 8347.2 17494 -9146.5 -9146.5 2.4982 2.5486 1.1971 24660 2024-05-08 01:00:20,064 INFO [main.py:798]
{rank 0/64} MD step = 49700 step time: 00:00:00.389965 Performance: 35.371 ns/day 0.679 hours/ns 2.047 steps/s 2024-05-08 01:00:28,128 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49700 9940 161.41 8514.6 17690 -9175.8 -9175.8 2.503 2.5527 1.2004 24673 2024-05-08 01:01:05,325 INFO [main.py:798]
{rank 0/64} MD step = 49800 step time: 00:00:00.355497 Performance: 35.376 ns/day 0.678 hours/ns 2.047 steps/s 2024-05-08 01:01:16,803 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49800 9960 159.47 8300.4 17478 -9177.4 -9177.4 2.5083 2.5602 1.204 24774 2024-05-08 01:01:53,526 INFO [main.py:798]
{rank 0/64} MD step = 49900 step time: 00:00:00.370724 Performance: 35.377 ns/day 0.678 hours/ns 2.047 steps/s 2024-05-08 01:02:04,289 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 49900 9980 160.25 8381.4 17564 -9182.2 -9182.2 2.5131 2.5654 1.2059 24794 2024-05-08 01:02:42,553 INFO [main.py:798]
{rank 0/64} MD step = 50000 step time: 00:00:00.379408 Performance: 35.377 ns/day 0.678 hours/ns 2.047 steps/s 2024-05-08 01:02:50,809 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 50000 10000 159.97 8309 17532 -9223.5 -9223.5 2.5185 2.5693 1.2082 24849 2024-05-08 01:03:27,477 INFO [main.py:798]
{rank 0/64} MD step = 50100 step time: 00:00:00.355803 Performance: 35.382 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 01:03:39,539 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 50100 10020 158.05 8199.5 17323 -9123 -9123 2.5239 2.573 1.2098 24910 2024-05-08 01:04:16,359 INFO [main.py:798]
{rank 0/64} MD step = 50200 step time: 00:00:00.406853 Performance: 35.382 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 01:04:23,928 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 50200 10040 159.04 8143.4 17431 -9288 -9288 2.531 2.5769 1.2131 24962 2024-05-08 01:05:03,197 INFO [main.py:798]
{rank 0/64} MD step = 50300 step time: 00:00:00.361961 Performance: 35.385 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 01:05:16,945 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 50300 10060 158.42 8262.6 17363 -9100.3 -9100.3 2.5363 2.5813 1.2143 24978 2024-05-08 01:05:53,076 INFO [main.py:798]
{rank 0/64} MD step = 50400 step time: 00:00:00.358212 Performance: 35.384 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 01:06:02,759 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 50400 10080 159.38 8400.5 17468 -9067.3 -9067.3 2.5443 2.5844 1.2177 25031 2024-05-08 01:06:39,461 INFO [main.py:798]
{rank 0/64} MD step = 50500 step time: 00:00:00.374042 Performance: 35.387 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 01:06:51,713 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 50500 10100 160.79 8425.1 17623 -9197.6 -9197.6 2.5507 2.5873 1.2213 25060 2024-05-08 01:07:28,922 INFO [main.py:798]
{rank 0/64} MD step = 50600 step time: 00:00:00.367566 Performance: 35.386 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 01:07:40,263 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 50600 10120 159.52 8260.1 17484 -9224 -9224 2.5571 2.5919 1.2236 25087 2024-05-08 01:08:19,232 INFO [main.py:798]
{rank 0/64} MD step = 50700 step time: 00:00:00.352206 Performance: 35.384 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 01:08:28,266 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 50700 10140 157.6 7985.3 17273 -9287.8 -9287.8 2.5595 2.5973 1.2263 25155 2024-05-08 01:09:05,565 INFO [main.py:798]
{rank 0/64} MD step = 50800 step time: 00:00:00.371658 Performance: 35.388 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 01:09:13,555 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 50800 10160 157.09 7978.2 17217 -9238.8 -9238.8 2.5662 2.602 1.2296 25206 2024-05-08 01:09:52,510 INFO [main.py:798]
{rank 0/64} MD step = 50900 step time: 00:00:00.392926 Performance: 35.390 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 01:10:09,067 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 50900 10180 160.46 8346.4 17586 -9239.7 -9239.7 2.5716 2.6079 1.2324 25257 2024-05-08 01:10:44,903 INFO [main.py:798]
{rank 0/64} MD step = 51000 step time: 00:00:00.335070 Performance: 35.385 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 01:10:55,163 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51000 10200 157.64 8013 17277 -9264.4 -9264.4 2.5764 2.6135 1.2342 25281 2024-05-08 01:11:32,925 INFO [main.py:798]
{rank 0/64} MD step = 51100 step time: 00:00:00.343684 Performance: 35.387 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 01:11:41,499 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51100 10220 159.54 8264 17486 -9222.1 -9222.1 2.5817 2.6192 1.2377 25331 2024-05-08 01:12:18,383 INFO [main.py:798]
{rank 0/64} MD step = 51200 step time: 00:00:00.386511 Performance: 35.391 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 01:12:27,256 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51200 10240 160.55 8402.8 17596 -9193.7 -9193.7 2.5865 2.6237 1.2407 25383 2024-05-08 01:13:02,816 INFO [main.py:798]
{rank 0/64} MD step = 51300 step time: 00:00:00.365471 Performance: 35.398 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 01:13:22,133 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51300 10260 160.44 8303.4 17584 -9280.6 -9280.6 2.592 2.6303 1.244 25384 2024-05-08 01:13:58,649 INFO [main.py:798]
{rank 0/64} MD step = 51400 step time: 00:00:00.374614 Performance: 35.388 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 01:14:17,828 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51400 10280 162.22 8518.8 17780 -9260.9 -9260.9 2.5986 2.6364 1.248 25424 2024-05-08 01:14:56,818 INFO [main.py:798]
{rank 0/64} MD step = 51500 step time: 00:00:00.429499 Performance: 35.375 ns/day 0.678 hours/ns 2.047 steps/s 2024-05-08 01:15:08,039 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51500 10300 160.9 8389.1 17635 -9246.1 -9246.1 2.6036 2.6401 1.2509 25430 2024-05-08 01:15:44,841 INFO [main.py:798]
{rank 0/64} MD step = 51600 step time: 00:00:00.380468 Performance: 35.376 ns/day 0.678 hours/ns 2.047 steps/s 2024-05-08 01:16:01,136 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51600 10320 160.73 8447.3 17617 -9169.3 -9169.3 2.6068 2.6446 1.2538 25528 2024-05-08 01:16:38,778 INFO [main.py:798]
{rank 0/64} MD step = 51700 step time: 00:00:00.351599 Performance: 35.369 ns/day 0.679 hours/ns 2.047 steps/s 2024-05-08 01:16:53,235 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51700 10340 159.37 8229.6 17467 -9237.4 -9237.4 2.6139 2.6471 1.2559 25559 2024-05-08 01:17:30,923 INFO [main.py:798]
{rank 0/64} MD step = 51800 step time: 00:00:00.393895 Performance: 35.364 ns/day 0.679 hours/ns 2.047 steps/s 2024-05-08 01:17:50,330 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51800 10360 164.43 8850.8 18022 -9171 -9171 2.6172 2.6519 1.2568 25582 2024-05-08 01:18:25,398 INFO [main.py:798]
{rank 0/64} MD step = 51900 step time: 00:00:00.357227 Performance: 35.356 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 01:18:34,908 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 51900 10380 163.09 8575.3 17875 -9299.3 -9299.3 2.6239 2.6578 1.2585 25603 2024-05-08 01:19:10,483 INFO [main.py:798]
{rank 0/64} MD step = 52000 step time: 00:00:00.344780 Performance: 35.361 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 01:19:23,087 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52000 10400 159.25 8176.3 17453 -9277.2 -9277.2 2.6276 2.6645 1.26 25648 2024-05-08 01:20:02,490 INFO [main.py:798]
{rank 0/64} MD step = 52100 step time: 00:00:00.369172 Performance: 35.357 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 01:20:17,268 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52100 10420 158.56 8185.4 17378 -9192.7 -9192.7 2.633 2.6687 1.2631 25723 2024-05-08 01:20:53,159 INFO [main.py:798]
{rank 0/64} MD step = 52200 step time: 00:00:00.375365 Performance: 35.355 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 01:21:03,085 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52200 10440 160.27 8310.1 17566 -9255.8 -9255.8 2.6389 2.6737 1.2646 25737 2024-05-08 01:21:38,824 INFO [main.py:798]
{rank 0/64} MD step = 52300 step time: 00:00:00.371891 Performance: 35.359 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 01:21:51,643 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52300 10460 157.03 8089.5 17210 -9120.9 -9120.9 2.6448 2.6792 1.2663 25788 2024-05-08 01:22:27,668 INFO [main.py:798]
{rank 0/64} MD step = 52400 step time: 00:00:00.419313 Performance: 35.359 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 01:22:39,339 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52400 10480 159.08 8202 17435 -9232.9 -9232.9 2.6518 2.6826 1.2672 25831 2024-05-08 01:23:16,458 INFO [main.py:798]
{rank 0/64} MD step = 52500 step time: 00:00:00.377162 Performance: 35.359 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 01:23:27,863 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52500 10500 161.13 8348 17661 -9312.6 -9312.6 2.6581 2.6848 1.2701 25858 2024-05-08 01:24:04,588 INFO [main.py:798]
{rank 0/64} MD step = 52600 step time: 00:00:00.344666 Performance: 35.360 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 01:24:16,164 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52600 10520 158.61 8186.8 17384 -9196.9 -9196.9 2.6623 2.6904 1.2721 25912 2024-05-08 01:24:53,125 INFO [main.py:798]
{rank 0/64} MD step = 52700 step time: 00:00:00.335746 Performance: 35.361 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 01:25:04,211 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52700 10540 162.44 8537.7 17804 -9266.5 -9266.5 2.6672 2.6945 1.2753 25987 2024-05-08 01:25:41,561 INFO [main.py:798]
{rank 0/64} MD step = 52800 step time: 00:00:00.366419 Performance: 35.361 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 01:25:52,490 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52800 10560 159.6 8268.3 17493 -9224.5 -9224.5 2.6728 2.6982 1.2784 26047 2024-05-08 01:26:29,816 INFO [main.py:798]
{rank 0/64} MD step = 52900 step time: 00:00:00.371609 Performance: 35.362 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 01:26:38,331 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 52900 10580 160.05 8304.6 17542 -9237.2 -9237.2 2.677 2.7021 1.2825 26092 2024-05-08 01:27:15,986 INFO [main.py:798]
{rank 0/64} MD step = 53000 step time: 00:00:00.398666 Performance: 35.366 ns/day 0.679 hours/ns 2.047 steps/s 2024-05-08 01:27:24,824 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53000 10600 156.54 7942.1 17157 -9214.6 -9214.6 2.6819 2.7067 1.2834 26136 2024-05-08 01:27:59,986 INFO [main.py:798]
{rank 0/64} MD step = 53100 step time: 00:00:00.376453 Performance: 35.372 ns/day 0.678 hours/ns 2.047 steps/s 2024-05-08 01:28:11,846 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53100 10620 159.5 8178.4 17482 -9303.2 -9303.2 2.687 2.7118 1.2846 26170 2024-05-08 01:28:49,067 INFO [main.py:798]
{rank 0/64} MD step = 53200 step time: 00:00:00.355948 Performance: 35.372 ns/day 0.679 hours/ns 2.047 steps/s 2024-05-08 01:28:59,671 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53200 10640 158.72 8144.4 17396 -9251.1 -9251.1 2.6929 2.716 1.2895 26199 2024-05-08 01:29:36,875 INFO [main.py:798]
{rank 0/64} MD step = 53300 step time: 00:00:00.359176 Performance: 35.373 ns/day 0.678 hours/ns 2.047 steps/s 2024-05-08 01:29:45,225 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53300 10660 158.41 8165.9 17362 -9196.2 -9196.2 2.6979 2.7208 1.2911 26254 2024-05-08 01:30:24,684 INFO [main.py:798]
{rank 0/64} MD step = 53400 step time: 00:00:00.375998 Performance: 35.375 ns/day 0.678 hours/ns 2.047 steps/s 2024-05-08 01:30:33,072 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53400 10680 158.96 8311.8 17422 -9110.6 -9110.6 2.7037 2.7251 1.2944 26291 2024-05-08 01:31:10,942 INFO [main.py:798]
{rank 0/64} MD step = 53500 step time: 00:00:00.376016 Performance: 35.378 ns/day 0.678 hours/ns 2.047 steps/s 2024-05-08 01:31:22,864 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53500 10700 157.88 8079.9 17304 -9223.6 -9223.6 2.7085 2.7282 1.2969 26337 2024-05-08 01:32:01,554 INFO [main.py:798]
{rank 0/64} MD step = 53600 step time: 00:00:00.390233 Performance: 35.376 ns/day 0.678 hours/ns 2.047 steps/s 2024-05-08 01:32:10,568 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53600 10720 161.22 8497.8 17670 -9171.8 -9171.8 2.713 2.7343 1.2981 26374 2024-05-08 01:32:49,199 INFO [main.py:798]
{rank 0/64} MD step = 53700 step time: 00:00:00.344752 Performance: 35.378 ns/day 0.678 hours/ns 2.047 steps/s 2024-05-08 01:32:56,214 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53700 10740 160.45 8333.9 17586 -9252 -9252 2.7165 2.7388 1.2995 26405 2024-05-08 01:33:32,676 INFO [main.py:798]
{rank 0/64} MD step = 53800 step time: 00:00:00.340950 Performance: 35.385 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 01:33:44,827 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53800 10760 157.59 7949.8 17272 -9322 -9322 2.7214 2.7459 1.3027 26458 2024-05-08 01:34:23,541 INFO [main.py:798]
{rank 0/64} MD step = 53900 step time: 00:00:00.347985 Performance: 35.382 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 01:34:37,223 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 53900 10780 158.28 8231.1 17348 -9116.6 -9116.6 2.727 2.7517 1.3056 26546 2024-05-08 01:35:13,392 INFO [main.py:798]
{rank 0/64} MD step = 54000 step time: 00:00:00.376125 Performance: 35.381 ns/day 0.678 hours/ns 2.047 steps/s 2024-05-08 01:35:24,470 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54000 10800 159.03 8197.8 17430 -9232.2 -9232.2 2.7333 2.7563 1.3064 26557 2024-05-08 01:36:02,206 INFO [main.py:798]
{rank 0/64} MD step = 54100 step time: 00:00:00.370511 Performance: 35.381 ns/day 0.678 hours/ns 2.047 steps/s 2024-05-08 01:36:09,888 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54100 10820 160.34 8336.3 17574 -9237.3 -9237.3 2.7382 2.7605 1.3096 26555 2024-05-08 01:36:48,343 INFO [main.py:798]
{rank 0/64} MD step = 54200 step time: 00:00:00.340515 Performance: 35.384 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 01:37:03,886 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54200 10840 160.38 8396.3 17578 -9181.8 -9181.8 2.7438 2.7654 1.3117 26605 2024-05-08 01:37:41,969 INFO [main.py:798]
{rank 0/64} MD step = 54300 step time: 00:00:00.354257 Performance: 35.378 ns/day 0.678 hours/ns 2.047 steps/s 2024-05-08 01:37:49,609 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54300 10860 159.92 8414.1 17527 -9112.9 -9112.9 2.7489 2.7711 1.3159 26688 2024-05-08 01:38:27,265 INFO [main.py:798]
{rank 0/64} MD step = 54400 step time: 00:00:00.379574 Performance: 35.383 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 01:38:36,562 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54400 10880 158.18 7984 17336 -9352.3 -9352.3 2.7545 2.7788 1.318 26707 2024-05-08 01:39:13,958 INFO [main.py:798]
{rank 0/64} MD step = 54500 step time: 00:00:00.342278 Performance: 35.386 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 01:39:24,865 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54500 10900 161.21 8502 17669 -9167.1 -9167.1 2.7616 2.7816 1.3207 26794 2024-05-08 01:40:03,701 INFO [main.py:798]
{rank 0/64} MD step = 54600 step time: 00:00:00.359371 Performance: 35.384 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 01:40:11,666 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54600 10920 159.16 8138.7 17445 -9306 -9306 2.7653 2.7869 1.3229 26793 2024-05-08 01:40:51,203 INFO [main.py:798]
{rank 0/64} MD step = 54700 step time: 00:00:00.404821 Performance: 35.386 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 01:40:58,668 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54700 10940 161.9 8424.4 17745 -9320.4 -9320.4 2.7706 2.792 1.3266 26832 2024-05-08 01:41:35,167 INFO [main.py:798]
{rank 0/64} MD step = 54800 step time: 00:00:00.346685 Performance: 35.393 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 01:41:41,630 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54800 10960 161.5 8471.3 17701 -9229.3 -9229.3 2.7766 2.7958 1.3282 26877 2024-05-08 01:42:18,198 INFO [main.py:798]
{rank 0/64} MD step = 54900 step time: 00:00:00.369950 Performance: 35.400 ns/day 0.678 hours/ns 2.049 steps/s 2024-05-08 01:42:25,893 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 54900 10980 159.05 8200.1 17432 -9231.5 -9231.5 2.7822 2.8015 1.3311 26902 2024-05-08 01:43:03,640 INFO [main.py:798]
{rank 0/64} MD step = 55000 step time: 00:00:00.351480 Performance: 35.405 ns/day 0.678 hours/ns 2.049 steps/s 2024-05-08 01:43:25,953 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55000 11000 159.77 8348.5 17511 -9162.2 -9162.2 2.7863 2.8059 1.3335 26951 2024-05-08 01:44:03,962 INFO [main.py:798]
{rank 0/64} MD step = 55100 step time: 00:00:00.364890 Performance: 35.390 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 01:44:11,615 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55100 11020 159.89 8323.4 17525 -9201.1 -9201.1 2.7918 2.8106 1.3368 27011 2024-05-08 01:44:51,074 INFO [main.py:798]
{rank 0/64} MD step = 55200 step time: 00:00:00.381295 Performance: 35.392 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 01:44:58,902 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55200 11040 160.45 8430.2 17586 -9155.7 -9155.7 2.7972 2.8175 1.34 27065 2024-05-08 01:45:36,693 INFO [main.py:798]
{rank 0/64} MD step = 55300 step time: 00:00:00.415136 Performance: 35.396 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 01:45:45,240 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55300 11060 156.81 8079.1 17187 -9107.7 -9107.7 2.8015 2.8224 1.3407 27093 2024-05-08 01:46:21,669 INFO [main.py:798]
{rank 0/64} MD step = 55400 step time: 00:00:00.380884 Performance: 35.401 ns/day 0.678 hours/ns 2.049 steps/s 2024-05-08 01:46:37,975 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55400 11080 161.09 8360.6 17656 -9295.4 -9295.4 2.8078 2.828 1.3433 27134 2024-05-08 01:47:16,143 INFO [main.py:798]
{rank 0/64} MD step = 55500 step time: 00:00:00.402187 Performance: 35.394 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 01:47:22,146 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55500 11100 160.52 8367.1 17593 -9225.6 -9225.6 2.8134 2.8323 1.3441 27208 2024-05-08 01:48:01,448 INFO [main.py:798]
{rank 0/64} MD step = 55600 step time: 00:00:00.380498 Performance: 35.398 ns/day 0.678 hours/ns 2.049 steps/s 2024-05-08 01:48:14,608 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55600 11120 159.5 8373.6 17481 -9107.4 -9107.4 2.8184 2.8395 1.3484 27263 2024-05-08 01:48:53,645 INFO [main.py:798]
{rank 0/64} MD step = 55700 step time: 00:00:00.358625 Performance: 35.394 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 01:49:01,415 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55700 11140 160.15 8344.5 17553 -9208.5 -9208.5 2.8236 2.8441 1.3505 27338 2024-05-08 01:49:40,458 INFO [main.py:798]
{rank 0/64} MD step = 55800 step time: 00:00:00.405701 Performance: 35.396 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 01:49:47,470 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55800 11160 161.44 8528.9 17694 -9164.8 -9164.8 2.8273 2.8483 1.3508 27365 2024-05-08 01:50:23,559 INFO [main.py:798]
{rank 0/64} MD step = 55900 step time: 00:00:00.375013 Performance: 35.404 ns/day 0.678 hours/ns 2.049 steps/s 2024-05-08 01:50:44,628 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 55900 11180 160.25 8471.4 17564 -9092.6 -9092.6 2.8314 2.8533 1.3553 27468 2024-05-08 01:51:21,954 INFO [main.py:798]
{rank 0/64} MD step = 56000 step time: 00:00:00.374606 Performance: 35.391 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 01:51:29,708 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56000 11200 161.03 8370.9 17650 -9278.7 -9278.7 2.8354 2.8587 1.3586 27488 2024-05-08 01:52:09,946 INFO [main.py:798]
{rank 0/64} MD step = 56100 step time: 00:00:00.370835 Performance: 35.392 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 01:52:18,721 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56100 11220 161.58 8539.3 17710 -9170.5 -9170.5 2.8385 2.8643 1.3607 27538 2024-05-08 01:52:57,383 INFO [main.py:798]
{rank 0/64} MD step = 56200 step time: 00:00:00.406824 Performance: 35.394 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 01:53:13,786 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56200 11240 159.82 8220.8 17517 -9295.7 -9295.7 2.8418 2.869 1.363 27552 2024-05-08 01:53:49,597 INFO [main.py:798]
{rank 0/64} MD step = 56300 step time: 00:00:00.359014 Performance: 35.390 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 01:54:00,166 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56300 11260 161.85 8584.8 17739 -9154.1 -9154.1 2.8464 2.8743 1.3643 27627 2024-05-08 01:54:37,650 INFO [main.py:798]
{rank 0/64} MD step = 56400 step time: 00:00:00.346610 Performance: 35.391 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 01:54:48,120 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56400 11280 159.56 8197.8 17488 -9290.3 -9290.3 2.8512 2.8792 1.3665 27679 2024-05-08 01:55:25,981 INFO [main.py:798]
{rank 0/64} MD step = 56500 step time: 00:00:00.343343 Performance: 35.392 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 01:55:34,772 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56500 11300 159.08 8343.5 17435 -9091.7 -9091.7 2.8584 2.8826 1.3687 27721 2024-05-08 01:56:13,736 INFO [main.py:798]
{rank 0/64} MD step = 56600 step time: 00:00:00.367752 Performance: 35.393 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 01:56:28,877 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56600 11320 161.96 8543.1 17751 -9208.2 -9208.2 2.8626 2.8882 1.3714 27733 2024-05-08 01:57:07,158 INFO [main.py:798]
{rank 0/64} MD step = 56700 step time: 00:00:00.411997 Performance: 35.387 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 01:57:16,907 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56700 11340 158.55 8129.9 17377 -9246.9 -9246.9 2.8662 2.8928 1.373 27785 2024-05-08 01:57:53,247 INFO [main.py:798]
{rank 0/64} MD step = 56800 step time: 00:00:00.370478 Performance: 35.391 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 01:58:13,931 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56800 11360 159.55 8288.4 17487 -9198.6 -9198.6 2.8711 2.897 1.3747 27816 2024-05-08 01:58:53,093 INFO [main.py:798]
{rank 0/64} MD step = 56900 step time: 00:00:00.362044 Performance: 35.377 ns/day 0.678 hours/ns 2.047 steps/s 2024-05-08 01:59:02,364 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 56900 11380 160.49 8417.6 17590 -9172.2 -9172.2 2.8743 2.9023 1.3773 27871 2024-05-08 01:59:41,182 INFO [main.py:798]
{rank 0/64} MD step = 57000 step time: 00:00:00.415886 Performance: 35.377 ns/day 0.678 hours/ns 2.047 steps/s 2024-05-08 01:59:49,111 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 57000 11400 159.23 8274.6 17451 -9176.9 -9176.9 2.879 2.9066 1.3766 27904 2024-05-08 02:00:27,631 INFO [main.py:798]
{rank 0/64} MD step = 57100 step time: 00:00:00.369628 Performance: 35.381 ns/day 0.678 hours/ns 2.047 steps/s 2024-05-08 02:00:34,777 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 57100 11420 160.44 8260 17585 -9324.6 -9324.6 2.8836 2.9127 1.3808 27912 2024-05-08 02:01:14,414 INFO [main.py:798]
{rank 0/64} MD step = 57200 step time: 00:00:00.427627 Performance: 35.383 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 02:01:22,708 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 57200 11440 157.13 7954.2 17221 -9267.3 -9267.3 2.8888 2.9206 1.3838 27962 2024-05-08 02:01:59,055 INFO [main.py:798]
{rank 0/64} MD step = 57300 step time: 00:00:00.389390 Performance: 35.388 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 02:02:05,797 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 57300 11460 160.33 8148.8 17572 -9423.1 -9423.1 2.8935 2.9258 1.3875 27984 2024-05-08 02:02:44,023 INFO [main.py:798]
{rank 0/64} MD step = 57400 step time: 00:00:00.389427 Performance: 35.393 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 02:02:50,611 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 57400 11480 160.8 8436.6 17624 -9187.7 -9187.7 2.9004 2.9309 1.389 28037 2024-05-08 02:03:28,209 INFO [main.py:798]
{rank 0/64} MD step = 57500 step time: 00:00:00.384396 Performance: 35.399 ns/day 0.678 hours/ns 2.049 steps/s 2024-05-08 02:03:34,828 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 57500 11500 160.93 8461.1 17638 -9176.7 -9176.7 2.9048 2.9353 1.3918 28115 2024-05-08 02:04:12,789 INFO [main.py:798]
{rank 0/64} MD step = 57600 step time: 00:00:00.394020 Performance: 35.404 ns/day 0.678 hours/ns 2.049 steps/s 2024-05-08 02:04:19,760 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 57600 11520 158.75 8133.2 17399 -9265.6 -9265.6 2.9091 2.9411 1.3917 28125 2024-05-08 02:04:57,308 INFO [main.py:798]
{rank 0/64} MD step = 57700 step time: 00:00:00.362748 Performance: 35.410 ns/day 0.678 hours/ns 2.049 steps/s 2024-05-08 02:05:04,005 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 57700 11540 160.55 8344.3 17597 -9252.3 -9252.3 2.9135 2.9476 1.3954 28154 2024-05-08 02:05:43,684 INFO [main.py:798]
{rank 0/64} MD step = 57800 step time: 00:00:00.390004 Performance: 35.413 ns/day 0.678 hours/ns 2.049 steps/s 2024-05-08 02:05:51,657 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 57800 11560 159.82 8362.7 17517 -9154.3 -9154.3 2.9191 2.9526 1.398 28222 2024-05-08 02:06:27,844 INFO [main.py:798]
{rank 0/64} MD step = 57900 step time: 00:00:00.395905 Performance: 35.419 ns/day 0.678 hours/ns 2.050 steps/s 2024-05-08 02:06:36,981 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 57900 11580 158.76 8212.7 17400 -9187.5 -9187.5 2.9256 2.9568 1.3998 28257 2024-05-08 02:07:14,892 INFO [main.py:798]
{rank 0/64} MD step = 58000 step time: 00:00:00.374610 Performance: 35.421 ns/day 0.678 hours/ns 2.050 steps/s 2024-05-08 02:07:24,332 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58000 11600 161.16 8517.7 17663 -9145.4 -9145.4 2.9312 2.9606 1.4023 28262 2024-05-08 02:08:01,323 INFO [main.py:798]
{rank 0/64} MD step = 58100 step time: 00:00:00.351854 Performance: 35.424 ns/day 0.678 hours/ns 2.050 steps/s 2024-05-08 02:08:09,004 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58100 11620 161.65 8654 17717 -9063.2 -9063.2 2.9357 2.9665 1.4049 28346 2024-05-08 02:08:47,434 INFO [main.py:798]
{rank 0/64} MD step = 58200 step time: 00:00:00.390337 Performance: 35.427 ns/day 0.677 hours/ns 2.050 steps/s 2024-05-08 02:08:56,878 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58200 11640 158.65 8146 17389 -9242.6 -9242.6 2.9418 2.9737 1.4089 28347 2024-05-08 02:09:32,852 INFO [main.py:798]
{rank 0/64} MD step = 58300 step time: 00:00:00.363465 Performance: 35.431 ns/day 0.677 hours/ns 2.050 steps/s 2024-05-08 02:09:44,861 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58300 11660 159.43 8417.6 17474 -9056 -9056 2.9474 2.9797 1.4102 28482 2024-05-08 02:10:22,375 INFO [main.py:798]
{rank 0/64} MD step = 58400 step time: 00:00:00.341452 Performance: 35.430 ns/day 0.677 hours/ns 2.050 steps/s 2024-05-08 02:10:30,978 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58400 11680 160.65 8415.3 17608 -9192.3 -9192.3 2.9538 2.985 1.4115 28481 2024-05-08 02:11:08,353 INFO [main.py:798]
{rank 0/64} MD step = 58500 step time: 00:00:00.376455 Performance: 35.434 ns/day 0.677 hours/ns 2.051 steps/s 2024-05-08 02:11:17,472 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58500 11700 156.84 8028.2 17190 -9161.6 -9161.6 2.959 2.99 1.4131 28525 2024-05-08 02:11:55,387 INFO [main.py:798]
{rank 0/64} MD step = 58600 step time: 00:00:00.374259 Performance: 35.436 ns/day 0.677 hours/ns 2.051 steps/s 2024-05-08 02:12:13,341 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58600 11720 159.63 8334.1 17495 -9161 -9161 2.9637 2.9966 1.4161 28582 2024-05-08 02:12:50,487 INFO [main.py:798]
{rank 0/64} MD step = 58700 step time: 00:00:00.394900 Performance: 35.428 ns/day 0.677 hours/ns 2.050 steps/s 2024-05-08 02:13:02,189 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58700 11740 159.58 8224.1 17490 -9265.6 -9265.6 2.9674 3.0005 1.4189 28593 2024-05-08 02:13:39,002 INFO [main.py:798]
{rank 0/64} MD step = 58800 step time: 00:00:00.348543 Performance: 35.429 ns/day 0.677 hours/ns 2.050 steps/s 2024-05-08 02:13:57,739 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58800 11760 162.5 8612.6 17810 -9197.6 -9197.6 2.971 3.0047 1.4213 28645 2024-05-08 02:14:35,097 INFO [main.py:798]
{rank 0/64} MD step = 58900 step time: 00:00:00.376462 Performance: 35.419 ns/day 0.678 hours/ns 2.050 steps/s 2024-05-08 02:14:43,163 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 58900 11780 159.12 8176.8 17440 -9262.9 -9262.9 2.9762 3.0078 1.4223 28687 2024-05-08 02:15:20,083 INFO [main.py:798]
{rank 0/64} MD step = 59000 step time: 00:00:00.381384 Performance: 35.424 ns/day 0.678 hours/ns 2.050 steps/s 2024-05-08 02:15:28,995 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 59000 11800 158.74 8197.5 17398 -9200.3 -9200.3 2.9793 3.0131 1.4244 28757 2024-05-08 02:16:06,742 INFO [main.py:798]
{rank 0/64} MD step = 59100 step time: 00:00:00.374572 Performance: 35.427 ns/day 0.677 hours/ns 2.050 steps/s 2024-05-08 02:16:14,139 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 59100 11820 159.02 8296.1 17429 -9133 -9133 2.9848 3.0187 1.4257 28806 2024-05-08 02:16:52,571 INFO [main.py:798]
{rank 0/64} MD step = 59200 step time: 00:00:00.369441 Performance: 35.430 ns/day 0.677 hours/ns 2.050 steps/s 2024-05-08 02:17:03,676 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 59200 11840 157.05 8075.2 17213 -9138.2 -9138.2 2.9896 3.025 1.4276 28826 2024-05-08 02:17:42,118 INFO [main.py:798]
{rank 0/64} MD step = 59300 step time: 00:00:00.390566 Performance: 35.429 ns/day 0.677 hours/ns 2.050 steps/s 2024-05-08 02:18:01,728 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 59300 11860 161.36 8414.6 17685 -9270.5 -9270.5 2.9949 3.0297 1.4307 28903 2024-05-08 02:18:40,390 INFO [main.py:798]
{rank 0/64} MD step = 59400 step time: 00:00:00.369309 Performance: 35.418 ns/day 0.678 hours/ns 2.050 steps/s 2024-05-08 02:18:50,077 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 59400 11880 159.69 8385.1 17502 -9116.9 -9116.9 3.0019 3.033 1.4327 28982 2024-05-08 02:19:27,470 INFO [main.py:798]
{rank 0/64} MD step = 59500 step time: 00:00:00.374318 Performance: 35.420 ns/day 0.678 hours/ns 2.050 steps/s 2024-05-08 02:19:59,317 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 59500 11900 160.46 8518.4 17586 -9067.9 -9067.9 3.0073 3.0381 1.4343 28984 2024-05-08 02:20:38,125 INFO [main.py:798]
{rank 0/64} MD step = 59600 step time: 00:00:00.397810 Performance: 35.393 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 02:20:48,253 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 59600 11920 160.85 8426.6 17630 -9203.1 -9203.1 3.0108 3.0434 1.4367 29029 2024-05-08 02:21:27,421 INFO [main.py:798]
{rank 0/64} MD step = 59700 step time: 00:00:00.389671 Performance: 35.393 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 02:21:37,598 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 59700 11940 160.56 8416.9 17598 -9180.7 -9180.7 3.016 3.0487 1.4402 29092 2024-05-08 02:22:14,901 INFO [main.py:798]
{rank 0/64} MD step = 59800 step time: 00:00:00.382445 Performance: 35.394 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 02:22:24,154 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 59800 11960 160.62 8544 17604 -9060.2 -9060.2 3.0198 3.0521 1.441 29145 2024-05-08 02:23:01,233 INFO [main.py:798]
{rank 0/64} MD step = 59900 step time: 00:00:00.377475 Performance: 35.397 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 02:23:10,602 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 59900 11980 162.31 8525.9 17790 -9263.8 -9263.8 3.0244 3.0583 1.4439 29167 2024-05-08 02:23:50,921 INFO [main.py:798]
{rank 0/64} MD step = 60000 step time: 00:00:00.360827 Performance: 35.396 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 02:24:14,201 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60000 12000 158.5 8148.4 17372 -9223.8 -9223.8 3.0299 3.0646 1.4451 29235 2024-05-08 02:24:53,323 INFO [main.py:798]
{rank 0/64} MD step = 60100 step time: 00:00:00.385099 Performance: 35.380 ns/day 0.678 hours/ns 2.047 steps/s 2024-05-08 02:25:03,098 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60100 12020 159.87 8304.1 17522 -9217.6 -9217.6 3.0354 3.07 1.4474 29255 2024-05-08 02:25:41,857 INFO [main.py:798]
{rank 0/64} MD step = 60200 step time: 00:00:00.396340 Performance: 35.380 ns/day 0.678 hours/ns 2.047 steps/s 2024-05-08 02:25:51,350 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60200 12040 160.07 8394.8 17544 -9149.7 -9149.7 3.0387 3.0742 1.45 29300 2024-05-08 02:26:30,311 INFO [main.py:798]
{rank 0/64} MD step = 60300 step time: 00:00:00.391747 Performance: 35.381 ns/day 0.678 hours/ns 2.047 steps/s 2024-05-08 02:26:53,427 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60300 12060 161.32 8479.8 17681 -9200.8 -9200.8 3.044 3.0791 1.4521 29340 2024-05-08 02:27:33,137 INFO [main.py:798]
{rank 0/64} MD step = 60400 step time: 00:00:00.384519 Performance: 35.364 ns/day 0.679 hours/ns 2.047 steps/s 2024-05-08 02:27:48,334 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60400 12080 160.71 8399.5 17614 -9214.5 -9214.5 3.05 3.0851 1.4523 29388 2024-05-08 02:28:25,517 INFO [main.py:798]
{rank 0/64} MD step = 60500 step time: 00:00:00.411855 Performance: 35.360 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 02:28:35,919 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60500 12100 160.14 8210.7 17552 -9341.2 -9341.2 3.0556 3.0908 1.4537 29438 2024-05-08 02:29:15,052 INFO [main.py:798]
{rank 0/64} MD step = 60600 step time: 00:00:00.384840 Performance: 35.359 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 02:29:25,535 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60600 12120 158.37 8197 17357 -9160.3 -9160.3 3.0596 3.0932 1.4574 29474 2024-05-08 02:30:04,187 INFO [main.py:798]
{rank 0/64} MD step = 60700 step time: 00:00:00.395968 Performance: 35.359 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 02:30:12,587 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60700 12140 161.71 8571.8 17724 -9151.9 -9151.9 3.064 3.098 1.4605 29494 2024-05-08 02:30:53,994 INFO [main.py:798]
{rank 0/64} MD step = 60800 step time: 00:00:00.378157 Performance: 35.358 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 02:31:11,818 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60800 12160 160.23 8266.7 17561 -9294.5 -9294.5 3.0691 3.1032 1.4637 29539 2024-05-08 02:31:50,710 INFO [main.py:798]
{rank 0/64} MD step = 60900 step time: 00:00:00.377176 Performance: 35.348 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 02:32:16,760 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 60900 12180 160.01 8308.1 17537 -9228.7 -9228.7 3.074 3.1071 1.4664 29578 2024-05-08 02:32:53,639 INFO [main.py:798]
{rank 0/64} MD step = 61000 step time: 00:00:00.353408 Performance: 35.332 ns/day 0.679 hours/ns 2.045 steps/s 2024-05-08 02:33:06,979 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61000 12200 159.13 8036.2 17441 -9404.4 -9404.4 3.0804 3.1097 1.4678 29594 2024-05-08 02:33:46,044 INFO [main.py:798]
{rank 0/64} MD step = 61100 step time: 00:00:00.343340 Performance: 35.327 ns/day 0.679 hours/ns 2.044 steps/s 2024-05-08 02:33:58,484 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61100 12220 158.48 8141.9 17370 -9227.9 -9227.9 3.0848 3.1155 1.4704 29642 2024-05-08 02:34:38,721 INFO [main.py:798]
{rank 0/64} MD step = 61200 step time: 00:00:00.413008 Performance: 35.323 ns/day 0.679 hours/ns 2.044 steps/s 2024-05-08 02:34:49,111 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61200 12240 159.43 8341.3 17474 -9132.2 -9132.2 3.089 3.1214 1.4731 29713 2024-05-08 02:35:26,801 INFO [main.py:798]
{rank 0/64} MD step = 61300 step time: 00:00:00.379146 Performance: 35.324 ns/day 0.679 hours/ns 2.044 steps/s 2024-05-08 02:35:37,822 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61300 12260 161.46 8566.6 17696 -9129.9 -9129.9 3.093 3.1267 1.4745 29726 2024-05-08 02:36:15,729 INFO [main.py:798]
{rank 0/64} MD step = 61400 step time: 00:00:00.371121 Performance: 35.324 ns/day 0.679 hours/ns 2.044 steps/s 2024-05-08 02:36:24,377 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61400 12280 161.3 8570.6 17678 -9107.7 -9107.7 3.0986 3.1309 1.4757 29804 2024-05-08 02:37:05,071 INFO [main.py:798]
{rank 0/64} MD step = 61500 step time: 00:00:00.390604 Performance: 35.324 ns/day 0.679 hours/ns 2.044 steps/s 2024-05-08 02:37:17,756 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61500 12300 161.73 8458.3 17725 -9267.1 -9267.1 3.1027 3.1337 1.4791 29872 2024-05-08 02:37:57,668 INFO [main.py:798]
{rank 0/64} MD step = 61600 step time: 00:00:00.398844 Performance: 35.319 ns/day 0.680 hours/ns 2.044 steps/s 2024-05-08 02:38:14,383 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61600 12320 160.84 8399.2 17628 -9228.8 -9228.8 3.1075 3.1375 1.4809 29926 2024-05-08 02:38:51,178 INFO [main.py:798]
{rank 0/64} MD step = 61700 step time: 00:00:00.337522 Performance: 35.314 ns/day 0.680 hours/ns 2.044 steps/s 2024-05-08 02:39:02,156 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61700 12340 161.38 8537.8 17687 -9149.7 -9149.7 3.1106 3.144 1.4812 29964 2024-05-08 02:39:40,084 INFO [main.py:798]
{rank 0/64} MD step = 61800 step time: 00:00:00.372785 Performance: 35.314 ns/day 0.680 hours/ns 2.044 steps/s 2024-05-08 02:39:54,178 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61800 12360 159.88 8350.4 17523 -9173 -9173 3.1172 3.1487 1.4824 30018 2024-05-08 02:40:31,513 INFO [main.py:798]
{rank 0/64} MD step = 61900 step time: 00:00:00.349166 Performance: 35.311 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-08 02:40:42,095 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 61900 12380 159.14 8270.7 17442 -9171.3 -9171.3 3.124 3.1542 1.485 30085 2024-05-08 02:41:19,374 INFO [main.py:798]
{rank 0/64} MD step = 62000 step time: 00:00:00.343039 Performance: 35.312 ns/day 0.680 hours/ns 2.044 steps/s 2024-05-08 02:41:29,548 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 62000 12400 161.43 8523.9 17693 -9168.8 -9168.8 3.1303 3.1596 1.4859 30113 2024-05-08 02:42:07,550 INFO [main.py:798]
{rank 0/64} MD step = 62100 step time: 00:00:00.375095 Performance: 35.313 ns/day 0.680 hours/ns 2.044 steps/s 2024-05-08 02:42:26,164 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 62100 12420 161.67 8468.2 17720 -9251.5 -9251.5 3.1358 3.1642 1.4869 30160 2024-05-08 02:43:04,794 INFO [main.py:798]
{rank 0/64} MD step = 62200 step time: 00:00:00.359760 Performance: 35.303 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-08 02:43:17,406 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 62200 12440 157.75 8109 17289 -9180 -9180 3.1407 3.1721 1.4906 30211 2024-05-08 02:43:55,233 INFO [main.py:798]
{rank 0/64} MD step = 62300 step time: 00:00:00.380853 Performance: 35.302 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-08 02:44:07,575 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 62300 12460 160.46 8462.7 17586 -9123.4 -9123.4 3.1455 3.1791 1.4938 30253 2024-05-08 02:44:46,039 INFO [main.py:798]
{rank 0/64} MD step = 62400 step time: 00:00:00.381817 Performance: 35.300 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-08 02:44:57,065 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 62400 12480 158.94 8190.6 17420 -9229.3 -9229.3 3.1518 3.1838 1.4972 30288 2024-05-08 02:45:34,930 INFO [main.py:798]
{rank 0/64} MD step = 62500 step time: 00:00:00.379665 Performance: 35.300 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-08 02:45:46,748 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 62500 12500 162.08 8530.8 17764 -9233.1 -9233.1 3.1562 3.1881 1.5004 30375 2024-05-08 02:46:24,730 INFO [main.py:798]
{rank 0/64} MD step = 62600 step time: 00:00:00.383338 Performance: 35.299 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-08 02:46:31,080 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 62600 12520 160.18 8404.9 17556 -9150.7 -9150.7 3.1615 3.1922 1.5019 30397 2024-05-08 02:47:11,385 INFO [main.py:798]
{rank 0/64} MD step = 62700 step time: 00:00:00.379224 Performance: 35.301 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-08 02:47:19,327 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 62700 12540 160.91 8423.4 17636 -9212.1 -9212.1 3.1668 3.1969 1.5026 30454 2024-05-08 02:47:57,065 INFO [main.py:798]
{rank 0/64} MD step = 62800 step time: 00:00:00.378742 Performance: 35.305 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-08 02:48:30,422 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 62800 12560 158.45 8205.6 17366 -9160.8 -9160.8 3.1729 3.2021 1.5044 30487 2024-05-08 02:49:08,833 INFO [main.py:798]
{rank 0/64} MD step = 62900 step time: 00:00:00.368599 Performance: 35.279 ns/day 0.680 hours/ns 2.042 steps/s 2024-05-08 02:49:16,737 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 62900 12580 160.78 8493.5 17622 -9128 -9128 3.1776 3.2068 1.5047 30548 2024-05-08 02:49:54,514 INFO [main.py:798]
{rank 0/64} MD step = 63000 step time: 00:00:00.376463 Performance: 35.283 ns/day 0.680 hours/ns 2.042 steps/s 2024-05-08 02:50:03,489 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63000 12600 158.08 8222.9 17325 -9102.6 -9102.6 3.1817 3.213 1.5071 30571 2024-05-08 02:50:42,343 INFO [main.py:798]
{rank 0/64} MD step = 63100 step time: 00:00:00.389666 Performance: 35.284 ns/day 0.680 hours/ns 2.042 steps/s 2024-05-08 02:50:54,833 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63100 12620 161.26 8483.1 17674 -9191.2 -9191.2 3.186 3.2169 1.5107 30652 2024-05-08 02:51:32,580 INFO [main.py:798]
{rank 0/64} MD step = 63200 step time: 00:00:00.374389 Performance: 35.283 ns/day 0.680 hours/ns 2.042 steps/s 2024-05-08 02:51:38,859 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63200 12640 160.42 8479.8 17582 -9102.3 -9102.3 3.1923 3.2215 1.5139 30694 2024-05-08 02:52:19,831 INFO [main.py:798]
{rank 0/64} MD step = 63300 step time: 00:00:00.394639 Performance: 35.285 ns/day 0.680 hours/ns 2.042 steps/s 2024-05-08 02:52:31,315 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63300 12660 156.42 7831.8 17144 -9311.7 -9311.7 3.1967 3.2278 1.5161 30714 2024-05-08 02:53:09,315 INFO [main.py:798]
{rank 0/64} MD step = 63400 step time: 00:00:00.398398 Performance: 35.284 ns/day 0.680 hours/ns 2.042 steps/s 2024-05-08 02:53:49,545 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63400 12680 160.15 8322.1 17553 -9231 -9231 3.2024 3.2316 1.5205 30785 2024-05-08 02:54:27,303 INFO [main.py:798]
{rank 0/64} MD step = 63500 step time: 00:00:00.360779 Performance: 35.251 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 02:54:51,318 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63500 12700 160.89 8505.6 17634 -9128.3 -9128.3 3.2065 3.2373 1.5225 30819 2024-05-08 02:55:30,333 INFO [main.py:798]
{rank 0/64} MD step = 63600 step time: 00:00:00.417126 Performance: 35.235 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 02:55:39,941 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63600 12720 158.72 8263 17396 -9133.5 -9133.5 3.212 3.2429 1.5252 30877 2024-05-08 02:56:17,652 INFO [main.py:798]
{rank 0/64} MD step = 63700 step time: 00:00:00.416623 Performance: 35.237 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 02:56:30,031 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63700 12740 160.95 8396.6 17641 -9244.1 -9244.1 3.2155 3.2481 1.5293 30946 2024-05-08 02:57:08,798 INFO [main.py:798]
{rank 0/64} MD step = 63800 step time: 00:00:00.448350 Performance: 35.235 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 02:57:21,487 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63800 12760 160.16 8250.5 17553 -9302.7 -9302.7 3.2206 3.2562 1.5309 30949 2024-05-08 02:57:58,727 INFO [main.py:798]
{rank 0/64} MD step = 63900 step time: 00:00:00.375030 Performance: 35.234 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 02:58:06,055 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 63900 12780 161.18 8499.4 17666 -9166.4 -9166.4 3.2245 3.2602 1.5331 31029 2024-05-08 02:58:43,937 INFO [main.py:798]
{rank 0/64} MD step = 64000 step time: 00:00:00.392187 Performance: 35.238 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 02:58:51,655 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64000 12800 161.22 8590.8 17670 -9079.2 -9079.2 3.2288 3.2646 1.539 31056 2024-05-08 02:59:28,753 INFO [main.py:798]
{rank 0/64} MD step = 64100 step time: 00:00:00.376888 Performance: 35.243 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 02:59:37,051 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64100 12820 161.5 8592.7 17701 -9107.9 -9107.9 3.2349 3.2696 1.5399 31106 2024-05-08 03:00:15,620 INFO [main.py:798]
{rank 0/64} MD step = 64200 step time: 00:00:00.411314 Performance: 35.245 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 03:00:23,228 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64200 12840 159.61 8161.4 17493 -9331.5 -9331.5 3.239 3.2765 1.541 31158 2024-05-08 03:01:00,611 INFO [main.py:798]
{rank 0/64} MD step = 64300 step time: 00:00:00.359354 Performance: 35.250 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 03:01:12,471 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64300 12860 159.77 8295.3 17511 -9215.6 -9215.6 3.2426 3.2825 1.5408 31176 2024-05-08 03:01:50,636 INFO [main.py:798]
{rank 0/64} MD step = 64400 step time: 00:00:00.377827 Performance: 35.249 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 03:02:02,927 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64400 12880 159.46 8243.5 17477 -9233.5 -9233.5 3.2475 3.289 1.5409 31219 2024-05-08 03:02:41,161 INFO [main.py:798]
{rank 0/64} MD step = 64500 step time: 00:00:00.352902 Performance: 35.247 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 03:02:48,789 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64500 12900 162.18 8551.6 17776 -9224 -9224 3.2531 3.293 1.5431 31266 2024-05-08 03:03:27,265 INFO [main.py:798]
{rank 0/64} MD step = 64600 step time: 00:00:00.361429 Performance: 35.250 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 03:03:36,210 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64600 12920 160.45 8319.6 17586 -9266 -9266 3.2569 3.2968 1.5453 31340 2024-05-08 03:04:14,843 INFO [main.py:798]
{rank 0/64} MD step = 64700 step time: 00:00:00.388231 Performance: 35.252 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 03:04:24,055 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64700 12940 161 8413.1 17645 -9232.3 -9232.3 3.2613 3.3041 1.5475 31370 2024-05-08 03:05:03,345 INFO [main.py:798]
{rank 0/64} MD step = 64800 step time: 00:00:00.390132 Performance: 35.252 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 03:05:12,636 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64800 12960 161.28 8507.6 17676 -9168.9 -9168.9 3.2643 3.3084 1.5497 31425 2024-05-08 03:05:50,500 INFO [main.py:798]
{rank 0/64} MD step = 64900 step time: 00:00:00.387543 Performance: 35.254 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 03:05:58,014 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 64900 12980 159.83 8310.1 17517 -9207 -9207 3.2697 3.315 1.5531 31446 2024-05-08 03:06:35,615 INFO [main.py:798]
{rank 0/64} MD step = 65000 step time: 00:00:00.388404 Performance: 35.259 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 03:06:46,517 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 65000 13000 161.49 8479.3 17700 -9220.3 -9220.3 3.2728 3.3202 1.5533 31501 2024-05-08 03:07:22,193 INFO [main.py:798]
{rank 0/64} MD step = 65100 step time: 00:00:00.359047 Performance: 35.261 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 03:07:32,497 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 65100 13020 160.24 8471.4 17563 -9091.5 -9091.5 3.2776 3.3258 1.5563 31567 2024-05-08 03:08:11,549 INFO [main.py:798]
{rank 0/64} MD step = 65200 step time: 00:00:00.370511 Performance: 35.261 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 03:08:20,470 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 65200 13040 160.43 8487.9 17583 -9095.1 -9095.1 3.2845 3.3321 1.5596 31634 2024-05-08 03:08:58,179 INFO [main.py:798]
{rank 0/64} MD step = 65300 step time: 00:00:00.380343 Performance: 35.264 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 03:09:12,090 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 65300 13060 158.87 8158.4 17413 -9254.2 -9254.2 3.2895 3.336 1.56 31661 2024-05-08 03:09:51,755 INFO [main.py:798]
{rank 0/64} MD step = 65400 step time: 00:00:00.390076 Performance: 35.259 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 03:10:01,953 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 65400 13080 161.32 8492.1 17681 -9188.8 -9188.8 3.2955 3.3423 1.562 31714 2024-05-08 03:10:38,594 INFO [main.py:798]
{rank 0/64} MD step = 65500 step time: 00:00:00.392121 Performance: 35.261 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 03:10:49,237 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 65500 13100 160.62 8437.2 17604 -9166.9 -9166.9 3.2995 3.3467 1.5645 31748 2024-05-08 03:11:27,629 INFO [main.py:798]
{rank 0/64} MD step = 65600 step time: 00:00:00.388978 Performance: 35.261 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 03:11:37,912 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 65600 13120 161.58 8491.7 17710 -9218.2 -9218.2 3.3053 3.3516 1.5666 31798 2024-05-08 03:12:14,004 INFO [main.py:798]
{rank 0/64} MD step = 65700 step time: 00:00:00.367185 Performance: 35.264 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 03:12:24,169 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 65700 13140 159.32 8201.2 17461 -9260 -9260 3.3092 3.3568 1.5696 31865 2024-05-08 03:13:02,823 INFO [main.py:798]
{rank 0/64} MD step = 65800 step time: 00:00:00.427863 Performance: 35.264 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 03:13:15,943 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 65800 13160 160.2 8338 17558 -9220 -9220 3.3144 3.3619 1.5717 31927 2024-05-08 03:13:54,546 INFO [main.py:798]
{rank 0/64} MD step = 65900 step time: 00:00:00.372380 Performance: 35.261 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 03:14:07,210 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 65900 13180 161.12 8536.2 17659 -9123 -9123 3.3207 3.3655 1.5724 31974 2024-05-08 03:14:45,057 INFO [main.py:798]
{rank 0/64} MD step = 66000 step time: 00:00:00.362296 Performance: 35.260 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 03:14:52,165 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66000 13200 163.09 8730.7 17874 -9143.7 -9143.7 3.3263 3.3719 1.5729 32014 2024-05-08 03:15:30,524 INFO [main.py:798]
{rank 0/64} MD step = 66100 step time: 00:00:00.396351 Performance: 35.263 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 03:15:59,798 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66100 13220 161.24 8509.4 17672 -9162.5 -9162.5 3.3289 3.3762 1.5762 32064 2024-05-08 03:16:37,442 INFO [main.py:798]
{rank 0/64} MD step = 66200 step time: 00:00:00.368946 Performance: 35.244 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 03:16:43,796 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66200 13240 159.04 8181.8 17430 -9248.7 -9248.7 3.332 3.383 1.5763 32101 2024-05-08 03:17:22,597 INFO [main.py:798]
{rank 0/64} MD step = 66300 step time: 00:00:00.341305 Performance: 35.248 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 03:17:33,669 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66300 13260 159.64 8399.3 17496 -9096.9 -9096.9 3.3365 3.3892 1.5778 32161 2024-05-08 03:18:11,752 INFO [main.py:798]
{rank 0/64} MD step = 66400 step time: 00:00:00.344739 Performance: 35.248 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 03:18:25,255 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66400 13280 159.06 8252.6 17434 -9181.1 -9181.1 3.3411 3.3956 1.5804 32208 2024-05-08 03:19:03,365 INFO [main.py:798]
{rank 0/64} MD step = 66500 step time: 00:00:00.358441 Performance: 35.245 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 03:19:12,908 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66500 13300 160.21 8351.7 17559 -9207.2 -9207.2 3.3459 3.4013 1.5858 32271 2024-05-08 03:19:48,659 INFO [main.py:798]
{rank 0/64} MD step = 66600 step time: 00:00:00.343426 Performance: 35.249 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 03:19:58,348 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66600 13320 157.04 8073.5 17212 -9138.1 -9138.1 3.3512 3.4052 1.588 32321 2024-05-08 03:20:36,704 INFO [main.py:798]
{rank 0/64} MD step = 66700 step time: 00:00:00.375971 Performance: 35.250 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 03:20:53,707 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66700 13340 159.82 8308.7 17516 -9207.4 -9207.4 3.3548 3.4093 1.5893 32342 2024-05-08 03:21:29,401 INFO [main.py:798]
{rank 0/64} MD step = 66800 step time: 00:00:00.338552 Performance: 35.246 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 03:21:39,207 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66800 13360 159.75 8319.3 17509 -9189.4 -9189.4 3.3586 3.4111 1.591 32384 2024-05-08 03:22:17,135 INFO [main.py:798]
{rank 0/64} MD step = 66900 step time: 00:00:00.332481 Performance: 35.248 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 03:22:26,175 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 66900 13380 160.07 8382.2 17544 -9162.1 -9162.1 3.3639 3.4168 1.592 32443 2024-05-08 03:23:02,114 INFO [main.py:798]
{rank 0/64} MD step = 67000 step time: 00:00:00.350155 Performance: 35.252 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 03:23:14,374 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 67000 13400 159.6 8291.6 17492 -9200.8 -9200.8 3.3699 3.4208 1.5943 32481 2024-05-08 03:23:51,290 INFO [main.py:798]
{rank 0/64} MD step = 67100 step time: 00:00:00.390370 Performance: 35.252 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 03:24:03,072 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 67100 13420 159.66 8357.2 17499 -9141.6 -9141.6 3.3751 3.4264 1.5978 32558 2024-05-08 03:24:40,797 INFO [main.py:798]
{rank 0/64} MD step = 67200 step time: 00:00:00.364620 Performance: 35.251 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 03:24:56,433 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 67200 13440 158.9 8207.4 17415 -9207.8 -9207.8 3.3803 3.4316 1.5998 32636 2024-05-08 03:25:35,013 INFO [main.py:798]
{rank 0/64} MD step = 67300 step time: 00:00:00.407184 Performance: 35.246 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 03:25:45,064 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 67300 13460 157.99 8066.7 17316 -9249.1 -9249.1 3.3852 3.4383 1.6035 32656 2024-05-08 03:26:23,553 INFO [main.py:798]
{rank 0/64} MD step = 67400 step time: 00:00:00.384319 Performance: 35.246 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 03:26:41,113 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 67400 13480 158.8 8080.4 17405 -9324.8 -9324.8 3.3915 3.4417 1.6046 32710 2024-05-08 03:27:17,624 INFO [main.py:798]
{rank 0/64} MD step = 67500 step time: 00:00:00.397013 Performance: 35.241 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 03:27:24,158 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 67500 13500 161.4 8418.3 17689 -9271.1 -9271.1 3.3978 3.4483 1.6058 32727 2024-05-08 03:28:10,702 INFO [main.py:798]
{rank 0/64} MD step = 67600 step time: 00:00:00.405706 Performance: 35.237 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 03:28:21,222 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 67600 13520 162.24 8554.3 17782 -9227.2 -9227.2 3.4015 3.4525 1.6072 32798 2024-05-08 03:28:59,536 INFO [main.py:798]
{rank 0/64} MD step = 67700 step time: 00:00:00.386959 Performance: 35.237 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 03:29:08,281 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 67700 13540 159.67 8289.3 17500 -9210.2 -9210.2 3.4072 3.4557 1.611 32839 2024-05-08 03:29:46,454 INFO [main.py:798]
{rank 0/64} MD step = 67800 step time: 00:00:00.383178 Performance: 35.239 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 03:29:54,263 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 67800 13560 157.93 8152.5 17309 -9156.4 -9156.4 3.4106 3.4603 1.6152 32848 2024-05-08 03:30:32,763 INFO [main.py:798]
{rank 0/64} MD step = 67900 step time: 00:00:00.384357 Performance: 35.242 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 03:30:44,604 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 67900 13580 162.53 8681 17814 -9133 -9133 3.4151 3.466 1.616 32899 2024-05-08 03:31:22,787 INFO [main.py:798]
{rank 0/64} MD step = 68000 step time: 00:00:00.375165 Performance: 35.241 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 03:31:30,294 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68000 13600 159.17 8178.5 17445 -9266.5 -9266.5 3.4218 3.469 1.6171 32939 2024-05-08 03:32:08,901 INFO [main.py:798]
{rank 0/64} MD step = 68100 step time: 00:00:00.383497 Performance: 35.244 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 03:32:19,510 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68100 13620 159.15 8207.1 17443 -9236.1 -9236.1 3.4275 3.4736 1.6196 32979 2024-05-08 03:32:57,160 INFO [main.py:798]
{rank 0/64} MD step = 68200 step time: 00:00:00.392380 Performance: 35.245 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 03:33:07,454 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68200 13640 160.11 8319.5 17548 -9228.6 -9228.6 3.4335 3.4788 1.6232 33005 2024-05-08 03:33:48,035 INFO [main.py:798]
{rank 0/64} MD step = 68300 step time: 00:00:00.389315 Performance: 35.243 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 03:33:59,242 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68300 13660 160.7 8374 17613 -9238.7 -9238.7 3.4367 3.4832 1.6245 33066 2024-05-08 03:34:37,481 INFO [main.py:798]
{rank 0/64} MD step = 68400 step time: 00:00:00.364843 Performance: 35.242 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 03:34:45,289 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68400 13680 158.92 8251.9 17418 -9165.8 -9165.8 3.4421 3.4881 1.6281 33132 2024-05-08 03:35:23,541 INFO [main.py:798]
{rank 0/64} MD step = 68500 step time: 00:00:00.397679 Performance: 35.246 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 03:35:31,779 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68500 13700 161.16 8622.3 17663 -9040.7 -9040.7 3.4469 3.4948 1.6282 33176 2024-05-08 03:36:09,594 INFO [main.py:798]
{rank 0/64} MD step = 68600 step time: 00:00:00.375227 Performance: 35.249 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 03:36:19,342 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68600 13720 158.7 8139.4 17394 -9254.5 -9254.5 3.452 3.5003 1.6318 33192 2024-05-08 03:36:57,240 INFO [main.py:798]
{rank 0/64} MD step = 68700 step time: 00:00:00.385336 Performance: 35.250 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 03:37:10,738 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68700 13740 158.59 8264.6 17381 -9116.9 -9116.9 3.4545 3.5047 1.6343 33245 2024-05-08 03:37:50,873 INFO [main.py:798]
{rank 0/64} MD step = 68800 step time: 00:00:00.436677 Performance: 35.245 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 03:38:12,214 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68800 13760 160.15 8305.5 17553 -9247.5 -9247.5 3.4609 3.509 1.6373 33287 2024-05-08 03:38:49,603 INFO [main.py:798]
{rank 0/64} MD step = 68900 step time: 00:00:00.377751 Performance: 35.235 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 03:39:03,127 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 68900 13780 160.57 8400.2 17598 -9198.2 -9198.2 3.4667 3.5161 1.6405 33334 2024-05-08 03:39:43,743 INFO [main.py:798]
{rank 0/64} MD step = 69000 step time: 00:00:00.409716 Performance: 35.230 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 03:40:04,134 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69000 13800 158.96 8180.6 17422 -9241.7 -9241.7 3.4705 3.521 1.643 33379 2024-05-08 03:40:41,077 INFO [main.py:798]
{rank 0/64} MD step = 69100 step time: 00:00:00.347258 Performance: 35.221 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 03:40:51,694 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69100 13820 159.26 8295.4 17455 -9160 -9160 3.4742 3.5267 1.6467 33427 2024-05-08 03:41:29,316 INFO [main.py:798]
{rank 0/64} MD step = 69200 step time: 00:00:00.343897 Performance: 35.222 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 03:41:47,330 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69200 13840 161.29 8467.8 17677 -9209.5 -9209.5 3.48 3.5314 1.6482 33511 2024-05-08 03:42:25,520 INFO [main.py:798]
{rank 0/64} MD step = 69300 step time: 00:00:00.352436 Performance: 35.215 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-08 03:42:34,874 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69300 13860 160.15 8382.3 17553 -9170.7 -9170.7 3.4841 3.5375 1.6495 33539 2024-05-08 03:43:13,211 INFO [main.py:798]
{rank 0/64} MD step = 69400 step time: 00:00:00.398348 Performance: 35.216 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-08 03:43:24,804 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69400 13880 159.61 8260.1 17494 -9233.5 -9233.5 3.4871 3.5442 1.6516 33556 2024-05-08 03:44:03,837 INFO [main.py:798]
{rank 0/64} MD step = 69500 step time: 00:00:00.367677 Performance: 35.215 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-08 03:44:13,614 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69500 13900 160.77 8478.5 17620 -9141.6 -9141.6 3.4903 3.5498 1.6545 33597 2024-05-08 03:44:50,611 INFO [main.py:798]
{rank 0/64} MD step = 69600 step time: 00:00:00.370943 Performance: 35.217 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 03:45:00,749 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69600 13920 159.18 8177.5 17446 -9268.3 -9268.3 3.4942 3.555 1.6578 33648 2024-05-08 03:45:40,376 INFO [main.py:798]
{rank 0/64} MD step = 69700 step time: 00:00:00.424135 Performance: 35.216 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-08 03:45:48,939 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69700 13940 162.49 8704.8 17809 -9104.5 -9104.5 3.4992 3.5599 1.66 33724 2024-05-08 03:46:26,991 INFO [main.py:798]
{rank 0/64} MD step = 69800 step time: 00:00:00.399720 Performance: 35.219 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 03:46:38,970 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69800 13960 158.61 8222.8 17383 -9160.7 -9160.7 3.5036 3.5659 1.6617 33773 2024-05-08 03:47:16,471 INFO [main.py:798]
{rank 0/64} MD step = 69900 step time: 00:00:00.407707 Performance: 35.218 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 03:47:28,075 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 69900 13980 160.98 8415.3 17644 -9228.2 -9228.2 3.5085 3.5715 1.6634 33798 2024-05-08 03:48:05,198 INFO [main.py:798]
{rank 0/64} MD step = 70000 step time: 00:00:00.387558 Performance: 35.219 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 03:48:11,510 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70000 14000 162.31 8653.3 17789 -9136.2 -9136.2 3.512 3.578 1.6656 33850 2024-05-08 03:48:52,183 INFO [main.py:798]
{rank 0/64} MD step = 70100 step time: 00:00:00.374259 Performance: 35.221 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 03:49:05,930 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70100 14020 158.72 8203.3 17396 -9192.2 -9192.2 3.5193 3.5841 1.6692 33897 2024-05-08 03:49:44,324 INFO [main.py:798]
{rank 0/64} MD step = 70200 step time: 00:00:00.428182 Performance: 35.218 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 03:49:54,820 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70200 14040 158.68 8156.7 17392 -9235.1 -9235.1 3.523 3.5898 1.6713 33937 2024-05-08 03:50:32,524 INFO [main.py:798]
{rank 0/64} MD step = 70300 step time: 00:00:00.411861 Performance: 35.218 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 03:50:42,533 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70300 14060 160.48 8371.8 17589 -9216.7 -9216.7 3.527 3.5943 1.6722 33984 2024-05-08 03:51:20,291 INFO [main.py:798]
{rank 0/64} MD step = 70400 step time: 00:00:00.413087 Performance: 35.220 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 03:51:28,252 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70400 14080 159.48 8312.3 17479 -9166.9 -9166.9 3.5325 3.5975 1.675 34025 2024-05-08 03:52:05,984 INFO [main.py:798]
{rank 0/64} MD step = 70500 step time: 00:00:00.376675 Performance: 35.223 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 03:52:15,846 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70500 14100 160.67 8464.6 17610 -9145.3 -9145.3 3.5378 3.6033 1.6791 34091 2024-05-08 03:52:55,225 INFO [main.py:798]
{rank 0/64} MD step = 70600 step time: 00:00:00.350022 Performance: 35.223 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 03:53:15,300 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70600 14120 161.12 8418.8 17659 -9240.3 -9240.3 3.5432 3.6071 1.6805 34110 2024-05-08 03:53:53,715 INFO [main.py:798]
{rank 0/64} MD step = 70700 step time: 00:00:00.352409 Performance: 35.213 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-08 03:54:02,154 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70700 14140 158.7 8168.4 17394 -9225.8 -9225.8 3.5468 3.612 1.682 34200 2024-05-08 03:54:40,192 INFO [main.py:798]
{rank 0/64} MD step = 70800 step time: 00:00:00.365631 Performance: 35.216 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-08 03:54:49,903 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70800 14160 161.04 8447.1 17650 -9202.8 -9202.8 3.5532 3.6172 1.6838 34166 2024-05-08 03:55:29,437 INFO [main.py:798]
{rank 0/64} MD step = 70900 step time: 00:00:00.405744 Performance: 35.216 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-08 03:55:42,821 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 70900 14180 159.48 8394.1 17480 -9085.4 -9085.4 3.5568 3.6223 1.6864 34222 2024-05-08 03:56:20,769 INFO [main.py:798]
{rank 0/64} MD step = 71000 step time: 00:00:00.401449 Performance: 35.214 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-08 03:56:32,069 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71000 14200 157.91 8045.3 17307 -9261.4 -9261.4 3.5625 3.6283 1.6886 34293 2024-05-08 03:57:09,094 INFO [main.py:798]
{rank 0/64} MD step = 71100 step time: 00:00:00.378952 Performance: 35.214 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-08 03:57:17,646 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71100 14220 159.44 8161.2 17474 -9313.1 -9313.1 3.5671 3.6328 1.6906 34311 2024-05-08 03:57:55,065 INFO [main.py:798]
{rank 0/64} MD step = 71200 step time: 00:00:00.393460 Performance: 35.218 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 03:58:08,497 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71200 14240 160.99 8483.8 17645 -9160.8 -9160.8 3.5724 3.6372 1.6931 34376 2024-05-08 03:58:50,258 INFO [main.py:798]
{rank 0/64} MD step = 71300 step time: 00:00:00.388049 Performance: 35.211 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-08 03:58:59,562 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71300 14260 160.17 8419.2 17555 -9135.7 -9135.7 3.5774 3.6437 1.6959 34405 2024-05-08 03:59:36,470 INFO [main.py:798]
{rank 0/64} MD step = 71400 step time: 00:00:00.356273 Performance: 35.214 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-08 03:59:47,075 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71400 14280 159.91 8216.3 17526 -9310.1 -9310.1 3.5826 3.6479 1.6981 34452 2024-05-08 04:00:24,325 INFO [main.py:798]
{rank 0/64} MD step = 71500 step time: 00:00:00.380439 Performance: 35.215 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-08 04:00:32,467 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71500 14300 161.39 8631.7 17688 -9056.3 -9056.3 3.5887 3.6527 1.7007 34484 2024-05-08 04:01:11,775 INFO [main.py:798]
{rank 0/64} MD step = 71600 step time: 00:00:00.409616 Performance: 35.217 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 04:01:21,128 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71600 14320 160.89 8380.6 17633 -9252.9 -9252.9 3.5937 3.6589 1.7037 34524 2024-05-08 04:01:59,149 INFO [main.py:798]
{rank 0/64} MD step = 71700 step time: 00:00:00.385370 Performance: 35.219 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 04:02:06,385 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71700 14340 159.11 8206.8 17439 -9232.2 -9232.2 3.6008 3.6649 1.7036 34586 2024-05-08 04:02:43,719 INFO [main.py:798]
{rank 0/64} MD step = 71800 step time: 00:00:00.389695 Performance: 35.223 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 04:03:07,833 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71800 14360 158.6 8141.2 17383 -9241.5 -9241.5 3.6052 3.6692 1.7063 34598 2024-05-08 04:03:46,461 INFO [main.py:798]
{rank 0/64} MD step = 71900 step time: 00:00:00.401759 Performance: 35.210 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-08 04:03:57,360 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 71900 14380 160.82 8418.6 17626 -9207.7 -9207.7 3.609 3.6741 1.7095 34661 2024-05-08 04:04:36,346 INFO [main.py:798]
{rank 0/64} MD step = 72000 step time: 00:00:00.373381 Performance: 35.209 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-08 04:04:43,802 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 72000 14400 158.93 8293.1 17418 -9125.3 -9125.3 3.6154 3.68 1.7113 34754 2024-05-08 04:05:22,147 INFO [main.py:798]
{rank 0/64} MD step = 72100 step time: 00:00:00.392773 Performance: 35.212 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-08 04:05:33,349 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 72100 14420 159.6 8230.4 17492 -9261.6 -9261.6 3.6218 3.6854 1.7131 34788 2024-05-08 04:06:11,404 INFO [main.py:798]
{rank 0/64} MD step = 72200 step time: 00:00:00.360064 Performance: 35.212 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-08 04:06:18,860 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 72200 14440 158.5 8269.6 17372 -9102.1 -9102.1 3.6263 3.6902 1.7153 34819 2024-05-08 04:06:57,009 INFO [main.py:798]
{rank 0/64} MD step = 72300 step time: 00:00:00.385824 Performance: 35.215 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-08 04:07:04,088 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 72300 14460 161.97 8552.3 17752 -9199.6 -9199.6 3.6322 3.6945 1.7184 34857 2024-05-08 04:07:41,144 INFO [main.py:798]
{rank 0/64} MD step = 72400 step time: 00:00:00.380311 Performance: 35.220 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 04:07:51,471 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 72400 14480 156.74 7947.2 17178 -9231.3 -9231.3 3.6388 3.6988 1.7215 34899 2024-05-08 04:08:29,896 INFO [main.py:798]
{rank 0/64} MD step = 72500 step time: 00:00:00.374164 Performance: 35.221 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 04:08:44,374 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 72500 14500 159.4 8348.1 17471 -9122.6 -9122.6 3.6435 3.7036 1.7239 34977 2024-05-08 04:09:23,035 INFO [main.py:798]
{rank 0/64} MD step = 72600 step time: 00:00:00.369863 Performance: 35.217 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 04:09:30,018 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 72600 14520 161.62 8498.6 17714 -9215.1 -9215.1 3.6479 3.7082 1.7247 35006 2024-05-08 04:10:08,841 INFO [main.py:798]
{rank 0/64} MD step = 72700 step time: 00:00:00.417628 Performance: 35.220 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 04:10:17,224 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 72700 14540 159.19 8215.9 17447 -9231.6 -9231.6 3.6525 3.7112 1.7261 35038 2024-05-08 04:10:56,128 INFO [main.py:798]
{rank 0/64} MD step = 72800 step time: 00:00:00.387198 Performance: 35.221 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 04:11:02,770 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 72800 14560 159.93 8272.8 17528 -9255.6 -9255.6 3.6576 3.7154 1.7278 35051 2024-05-08 04:11:41,628 INFO [main.py:798]
{rank 0/64} MD step = 72900 step time: 00:00:00.382939 Performance: 35.225 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 04:11:53,552 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 72900 14580 160.08 8329.6 17545 -9214.9 -9214.9 3.6602 3.7205 1.731 35129 2024-05-08 04:12:31,062 INFO [main.py:798]
{rank 0/64} MD step = 73000 step time: 00:00:00.358822 Performance: 35.225 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 04:12:42,237 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 73000 14600 159.1 8085.3 17438 -9352.4 -9352.4 3.6651 3.7257 1.7336 35181 2024-05-08 04:13:24,297 INFO [main.py:798]
{rank 0/64} MD step = 73100 step time: 00:00:00.369598 Performance: 35.221 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 04:13:34,391 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 73100 14620 162.45 8502.7 17804 -9301.7 -9301.7 3.6711 3.7308 1.7377 35226 2024-05-08 04:14:11,808 INFO [main.py:798]
{rank 0/64} MD step = 73200 step time: 00:00:00.379871 Performance: 35.222 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 04:14:19,569 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 73200 14640 159.56 8226.6 17488 -9261.4 -9261.4 3.6785 3.7362 1.7401 35239 2024-05-08 04:14:59,554 INFO [main.py:798]
{rank 0/64} MD step = 73300 step time: 00:00:00.400578 Performance: 35.223 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 04:15:07,410 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 73300 14660 159.03 8258.7 17430 -9170.9 -9170.9 3.683 3.7406 1.744 35292 2024-05-08 04:15:45,606 INFO [main.py:798]
{rank 0/64} MD step = 73400 step time: 00:00:00.417883 Performance: 35.226 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 04:15:52,849 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 73400 14680 160.46 8422.5 17586 -9163.8 -9163.8 3.688 3.7447 1.7465 35341 2024-05-08 04:16:31,432 INFO [main.py:798]
{rank 0/64} MD step = 73500 step time: 00:00:00.408607 Performance: 35.229 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 04:16:37,737 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 73500 14700 161.4 8385.6 17689 -9303.9 -9303.9 3.6918 3.7501 1.7492 35347 2024-05-08 04:17:17,072 INFO [main.py:798]
{rank 0/64} MD step = 73600 step time: 00:00:00.393274 Performance: 35.233 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 04:17:26,114 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 73600 14720 160.05 8279.6 17542 -9262.3 -9262.3 3.6969 3.7564 1.7509 35426 2024-05-08 04:18:05,853 INFO [main.py:798]
{rank 0/64} MD step = 73700 step time: 00:00:00.404451 Performance: 35.233 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 04:18:12,537 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 73700 14740 159.04 8164.2 17432 -9267.4 -9267.4 3.7016 3.7625 1.7513 35483 2024-05-08 04:18:50,681 INFO [main.py:798]
{rank 0/64} MD step = 73800 step time: 00:00:00.405311 Performance: 35.237 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 04:19:00,096 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 73800 14760 159.91 8412.1 17526 -9113.7 -9113.7 3.707 3.7689 1.7543 35529 2024-05-08 04:19:38,646 INFO [main.py:798]
{rank 0/64} MD step = 73900 step time: 00:00:00.380875 Performance: 35.238 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 04:19:47,568 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 73900 14780 160.15 8347 17552 -9205.4 -9205.4 3.7121 3.7744 1.7563 35569 2024-05-08 04:20:44,103 INFO [main.py:798]
{rank 0/64} MD step = 74000 step time: 00:00:00.381061 Performance: 35.222 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 04:20:52,956 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 74000 14800 159.84 8324.9 17518 -9193.5 -9193.5 3.7167 3.778 1.7576 35634 2024-05-08 04:21:30,463 INFO [main.py:798]
{rank 0/64} MD step = 74100 step time: 00:00:00.379188 Performance: 35.225 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 04:21:44,638 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 74100 14820 158.94 8275.1 17420 -9144.9 -9144.9 3.7205 3.7846 1.7608 35686 2024-05-08 04:22:22,726 INFO [main.py:798]
{rank 0/64} MD step = 74200 step time: 00:00:00.362979 Performance: 35.222 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 04:22:30,196 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 74200 14840 159.32 8280.8 17462 -9180.8 -9180.8 3.7275 3.7907 1.7628 35703 2024-05-08 04:23:08,513 INFO [main.py:798]
{rank 0/64} MD step = 74300 step time: 00:00:00.407849 Performance: 35.225 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 04:23:46,215 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 74300 14860 161.19 8512.5 17667 -9154.6 -9154.6 3.7312 3.7955 1.7654 35741 2024-05-08 04:24:24,329 INFO [main.py:798]
{rank 0/64} MD step = 74400 step time: 00:00:00.386928 Performance: 35.199 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 04:24:34,657 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 74400 14880 158.77 8231.7 17402 -9169.9 -9169.9 3.7375 3.8022 1.7682 35789 2024-05-08 04:25:14,499 INFO [main.py:798]
{rank 0/64} MD step = 74500 step time: 00:00:00.388830 Performance: 35.198 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 04:25:24,523 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 74500 14900 160.74 8425.7 17618 -9192 -9192 3.7403 3.8061 1.7717 35809 2024-05-08 04:26:03,212 INFO [main.py:798]
{rank 0/64} MD step = 74600 step time: 00:00:00.402011 Performance: 35.198 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 04:26:19,685 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 74600 14920 160.38 8382.1 17578 -9195.4 -9195.4 3.7452 3.8117 1.7758 35894 2024-05-08 04:26:58,172 INFO [main.py:798]
{rank 0/64} MD step = 74700 step time: 00:00:00.375423 Performance: 35.193 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 04:27:10,181 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 74700 14940 161.84 8640.3 17738 -9097.7 -9097.7 3.7517 3.8167 1.7791 35937 2024-05-08 04:27:48,056 INFO [main.py:798]
{rank 0/64} MD step = 74800 step time: 00:00:00.397196 Performance: 35.192 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 04:28:00,859 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 74800 14960 162.47 8637.4 17807 -9169.8 -9169.8 3.754 3.8225 1.7804 35967 2024-05-08 04:28:40,383 INFO [main.py:798]
{rank 0/64} MD step = 74900 step time: 00:00:00.409304 Performance: 35.189 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-08 04:28:50,361 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 74900 14980 160.35 8390.4 17574 -9183.8 -9183.8 3.7592 3.8261 1.7828 36046 2024-05-08 04:29:28,690 INFO [main.py:798]
{rank 0/64} MD step = 75000 step time: 00:00:00.383555 Performance: 35.190 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-08 04:29:36,875 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 75000 15000 160.73 8316.7 17616 -9299 -9299 3.7637 3.8321 1.7833 36086 2024-05-08 04:30:16,709 INFO [main.py:798]
{rank 0/64} MD step = 75100 step time: 00:00:00.415902 Performance: 35.191 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 04:30:28,066 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 75100 15020 162.42 8744 17802 -9057.6 -9057.6 3.7688 3.8375 1.7866 36165 2024-05-08 04:31:05,985 INFO [main.py:798]
{rank 0/64} MD step = 75200 step time: 00:00:00.386060 Performance: 35.191 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-08 04:31:15,381 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 75200 15040 159.49 8330.1 17480 -9149.8 -9149.8 3.7742 3.8432 1.7897 36171 2024-05-08 04:31:55,531 INFO [main.py:798]
{rank 0/64} MD step = 75300 step time: 00:00:00.361451 Performance: 35.190 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-08 04:32:09,254 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 75300 15060 160.86 8468.3 17630 -9162 -9162 3.7804 3.8465 1.7928 36239 2024-05-08 04:32:48,448 INFO [main.py:798]
{rank 0/64} MD step = 75400 step time: 00:00:00.354542 Performance: 35.187 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-08 04:32:58,862 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 75400 15080 158.49 8138 17371 -9232.6 -9232.6 3.7849 3.8519 1.7951 36276 2024-05-08 04:33:37,736 INFO [main.py:798]
{rank 0/64} MD step = 75500 step time: 00:00:00.360527 Performance: 35.186 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-08 04:33:49,495 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 75500 15100 157.5 7929.4 17263 -9333.3 -9333.3 3.7894 3.8579 1.7963 36320 2024-05-08 04:34:31,890 INFO [main.py:798]
{rank 0/64} MD step = 75600 step time: 00:00:00.409499 Performance: 35.182 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-08 04:34:41,254 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 75600 15120 159.18 8164.7 17446 -9281.8 -9281.8 3.7938 3.8638 1.7977 36361 2024-05-08 04:35:18,487 INFO [main.py:798]
{rank 0/64} MD step = 75700 step time: 00:00:00.366193 Performance: 35.184 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-08 04:35:25,953 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 75700 15140 159.74 8304.3 17508 -9203.6 -9203.6 3.7995 3.8687 1.8022 36422 2024-05-08 04:36:02,441 INFO [main.py:798]
{rank 0/64} MD step = 75800 step time: 00:00:00.351348 Performance: 35.189 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-08 04:36:08,162 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 75800 15160 161.11 8378.3 17658 -9280.1 -9280.1 3.8048 3.8743 1.8059 36465 2024-05-08 04:36:44,459 INFO [main.py:798]
{rank 0/64} MD step = 75900 step time: 00:00:00.420025 Performance: 35.196 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 04:36:52,293 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 75900 15180 160.1 8290.6 17547 -9256.4 -9256.4 3.8114 3.8794 1.8096 36529 2024-05-08 04:37:29,035 INFO [main.py:798]
{rank 0/64} MD step = 76000 step time: 00:00:00.396960 Performance: 35.200 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 04:37:38,661 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76000 15200 158.81 8267.1 17405 -9138.2 -9138.2 3.8165 3.8823 1.8139 36580 2024-05-08 04:38:17,211 INFO [main.py:798]
{rank 0/64} MD step = 76100 step time: 00:00:00.406433 Performance: 35.201 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 04:38:39,128 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76100 15220 161.37 8572.3 17686 -9114 -9114 3.8207 3.8875 1.8172 36609 2024-05-08 04:39:15,546 INFO [main.py:798]
{rank 0/64} MD step = 76200 step time: 00:00:00.397730 Performance: 35.192 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 04:39:24,517 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76200 15240 159.49 8300.1 17480 -9180.1 -9180.1 3.8253 3.8934 1.8173 36659 2024-05-08 04:40:03,674 INFO [main.py:798]
{rank 0/64} MD step = 76300 step time: 00:00:00.370712 Performance: 35.193 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 04:40:15,035 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76300 15260 158.15 8157.3 17334 -9176.2 -9176.2 3.83 3.8972 1.8193 36721 2024-05-08 04:40:52,595 INFO [main.py:798]
{rank 0/64} MD step = 76400 step time: 00:00:00.428437 Performance: 35.193 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 04:41:02,658 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76400 15280 158.74 8221.8 17398 -9176.4 -9176.4 3.8351 3.9014 1.8197 36768 2024-05-08 04:41:39,504 INFO [main.py:798]
{rank 0/64} MD step = 76500 step time: 00:00:00.357197 Performance: 35.195 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 04:41:50,110 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76500 15300 159.67 8244.7 17500 -9255.7 -9255.7 3.842 3.9055 1.8228 36799 2024-05-08 04:42:30,064 INFO [main.py:798]
{rank 0/64} MD step = 76600 step time: 00:00:00.403581 Performance: 35.194 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 04:42:40,808 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76600 15320 159.1 8204.7 17437 -9232.8 -9232.8 3.8474 3.9095 1.8258 36854 2024-05-08 04:43:18,732 INFO [main.py:798]
{rank 0/64} MD step = 76700 step time: 00:00:00.388684 Performance: 35.194 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 04:43:27,720 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76700 15340 161.16 8502.1 17663 -9161.2 -9161.2 3.8531 3.9123 1.829 36908 2024-05-08 04:44:06,499 INFO [main.py:798]
{rank 0/64} MD step = 76800 step time: 00:00:00.389768 Performance: 35.195 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 04:44:16,484 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76800 15360 159.1 8263 17437 -9174.4 -9174.4 3.8585 3.917 1.8304 36950 2024-05-08 04:44:53,533 INFO [main.py:798]
{rank 0/64} MD step = 76900 step time: 00:00:00.386699 Performance: 35.197 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 04:45:05,698 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 76900 15380 159.76 8260.5 17510 -9249.7 -9249.7 3.8649 3.9222 1.8304 36985 2024-05-08 04:45:48,096 INFO [main.py:798]
{rank 0/64} MD step = 77000 step time: 00:00:00.389308 Performance: 35.192 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 04:46:00,456 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77000 15400 159.54 8275.3 17485 -9210.2 -9210.2 3.8712 3.9289 1.8319 37051 2024-05-08 04:46:39,068 INFO [main.py:798]
{rank 0/64} MD step = 77100 step time: 00:00:00.385063 Performance: 35.190 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-08 04:46:48,824 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77100 15420 160.69 8392.1 17612 -9220.2 -9220.2 3.8779 3.9352 1.8339 37086 2024-05-08 04:47:29,812 INFO [main.py:798]
{rank 0/64} MD step = 77200 step time: 00:00:00.364627 Performance: 35.189 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-08 04:47:40,388 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77200 15440 160.7 8459.6 17613 -9153.6 -9153.6 3.8835 3.9397 1.8374 37158 2024-05-08 04:48:19,291 INFO [main.py:798]
{rank 0/64} MD step = 77300 step time: 00:00:00.364221 Performance: 35.189 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-08 04:48:31,410 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77300 15460 161.95 8533.5 17750 -9216 -9216 3.8879 3.9454 1.8399 37203 2024-05-08 04:49:08,421 INFO [main.py:798]
{rank 0/64} MD step = 77400 step time: 00:00:00.378242 Performance: 35.189 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-08 04:49:16,021 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77400 15480 160.26 8375.9 17565 -9189.2 -9189.2 3.8933 3.9504 1.84 37257 2024-05-08 04:49:53,970 INFO [main.py:798]
{rank 0/64} MD step = 77500 step time: 00:00:00.378474 Performance: 35.192 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 04:50:01,155 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77500 15500 161.45 8549.8 17695 -9144.8 -9144.8 3.8976 3.9556 1.8427 37282 2024-05-08 04:50:39,399 INFO [main.py:798]
{rank 0/64} MD step = 77600 step time: 00:00:00.373711 Performance: 35.195 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 04:50:45,871 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77600 15520 160.61 8404.8 17604 -9198.7 -9198.7 3.9038 3.9603 1.8451 37319 2024-05-08 04:51:25,755 INFO [main.py:798]
{rank 0/64} MD step = 77700 step time: 00:00:00.348358 Performance: 35.198 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 04:51:33,742 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77700 15540 161.17 8445.8 17665 -9219.2 -9219.2 3.9091 3.968 1.8467 37394 2024-05-08 04:52:11,796 INFO [main.py:798]
{rank 0/64} MD step = 77800 step time: 00:00:00.370929 Performance: 35.201 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 04:52:20,451 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77800 15560 159.25 8293.6 17454 -9160.3 -9160.3 3.9144 3.974 1.8484 37447 2024-05-08 04:52:59,406 INFO [main.py:798]
{rank 0/64} MD step = 77900 step time: 00:00:00.385363 Performance: 35.202 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 04:53:08,003 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 77900 15580 158.74 8092.5 17398 -9305.3 -9305.3 3.921 3.9808 1.8488 37494 2024-05-08 04:53:45,916 INFO [main.py:798]
{rank 0/64} MD step = 78000 step time: 00:00:00.394048 Performance: 35.204 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 04:53:52,979 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 78000 15600 159.66 8293 17499 -9206 -9206 3.9259 3.9859 1.8519 37543 2024-05-08 04:54:32,910 INFO [main.py:798]
{rank 0/64} MD step = 78100 step time: 00:00:00.383328 Performance: 35.206 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 04:54:39,814 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 78100 15620 156.36 7889.1 17138 -9248.5 -9248.5 3.9321 3.9916 1.8545 37579 2024-05-08 04:55:17,754 INFO [main.py:798]
{rank 0/64} MD step = 78200 step time: 00:00:00.390407 Performance: 35.210 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-08 04:55:27,077 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 78200 15640 160.04 8318.6 17541 -9222.2 -9222.2 3.9379 3.9951 1.8562 37664 2024-05-08 04:56:07,281 INFO [main.py:798]
{rank 0/64} MD step = 78300 step time: 00:00:00.414506 Performance: 35.210 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-08 04:56:13,200 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 78300 15660 158.34 8250.8 17355 -9103.8 -9103.8 3.9428 4.0013 1.8577 37716 2024-05-08 04:56:50,816 INFO [main.py:798]
{rank 0/64} MD step = 78400 step time: 00:00:00.367757 Performance: 35.215 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-08 04:56:59,896 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 78400 15680 161.09 8475.7 17656 -9180 -9180 3.9475 4.005 1.8604 37749 2024-05-08 04:57:37,579 INFO [main.py:798]
{rank 0/64} MD step = 78500 step time: 00:00:00.394936 Performance: 35.217 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 04:57:44,444 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 78500 15700 159.24 8254.2 17453 -9198.4 -9198.4 3.9536 4.0102 1.8622 37790 2024-05-08 04:58:23,746 INFO [main.py:798]
{rank 0/64} MD step = 78600 step time: 00:00:00.377074 Performance: 35.220 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 04:58:31,420 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 78600 15720 160.66 8408.5 17608 -9199.6 -9199.6 3.9586 4.0158 1.8647 37825 2024-05-08 04:59:09,289 INFO [main.py:798]
{rank 0/64} MD step = 78700 step time: 00:00:00.368326 Performance: 35.223 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 04:59:16,962 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 78700 15740 161.39 8460 17689 -9228.6 -9228.6 3.9659 4.0202 1.8649 37867 2024-05-08 04:59:52,689 INFO [main.py:798]
{rank 0/64} MD step = 78800 step time: 00:00:00.381438 Performance: 35.228 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 05:00:03,106 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 78800 15760 161.26 8592.2 17674 -9081.8 -9081.8 3.972 4.0268 1.869 37954 2024-05-08 05:00:42,222 INFO [main.py:798]
{rank 0/64} MD step = 78900 step time: 00:00:00.382912 Performance: 35.228 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 05:00:50,093 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 78900 15780 159.2 8272.2 17449 -9176.7 -9176.7 3.9779 4.0317 1.8722 37967 2024-05-08 05:01:30,166 INFO [main.py:798]
{rank 0/64} MD step = 79000 step time: 00:00:00.391990 Performance: 35.229 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 05:01:39,046 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79000 15800 162.17 8629.9 17774 -9144 -9144 3.9849 4.0369 1.8751 38003 2024-05-08 05:02:17,391 INFO [main.py:798]
{rank 0/64} MD step = 79100 step time: 00:00:00.387736 Performance: 35.230 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 05:02:30,889 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79100 15820 160.88 8462.8 17632 -9169.4 -9169.4 3.989 4.044 1.8761 38083 2024-05-08 05:03:08,933 INFO [main.py:798]
{rank 0/64} MD step = 79200 step time: 00:00:00.430060 Performance: 35.228 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 05:03:20,104 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79200 15840 157.5 8091.2 17262 -9170.7 -9170.7 3.9953 4.0496 1.8789 38158 2024-05-08 05:03:57,107 INFO [main.py:798]
{rank 0/64} MD step = 79300 step time: 00:00:00.369775 Performance: 35.229 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 05:04:10,094 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79300 15860 160.06 8423.3 17543 -9119.7 -9119.7 4.0013 4.0544 1.8819 38191 2024-05-08 05:04:47,949 INFO [main.py:798]
{rank 0/64} MD step = 79400 step time: 00:00:00.373449 Performance: 35.227 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 05:05:07,691 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79400 15880 158.53 8149.8 17375 -9225.3 -9225.3 4.0102 4.0598 1.8865 38196 2024-05-08 05:05:47,565 INFO [main.py:798]
{rank 0/64} MD step = 79500 step time: 00:00:00.415252 Performance: 35.218 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 05:05:55,894 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79500 15900 159.83 8371.3 17517 -9146 -9146 4.0133 4.0662 1.887 38249 2024-05-08 05:06:33,409 INFO [main.py:798]
{rank 0/64} MD step = 79600 step time: 00:00:00.384402 Performance: 35.220 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 05:06:41,598 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79600 15920 161.46 8562.3 17696 -9134 -9134 4.0171 4.0708 1.8885 38307 2024-05-08 05:07:19,486 INFO [main.py:798]
{rank 0/64} MD step = 79700 step time: 00:00:00.402236 Performance: 35.223 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 05:07:27,073 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79700 15940 157.62 8103.6 17275 -9171.3 -9171.3 4.0248 4.0764 1.8904 38349 2024-05-08 05:08:06,402 INFO [main.py:798]
{rank 0/64} MD step = 79800 step time: 00:00:00.366310 Performance: 35.225 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 05:08:14,607 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79800 15960 157.73 8080 17287 -9207.3 -9207.3 4.0281 4.0822 1.8945 38404 2024-05-08 05:08:51,480 INFO [main.py:798]
{rank 0/64} MD step = 79900 step time: 00:00:00.398698 Performance: 35.229 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 05:09:00,932 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 79900 15980 160.37 8274.7 17577 -9302.5 -9302.5 4.0338 4.0878 1.8968 38443 2024-05-08 05:09:37,966 INFO [main.py:798]
{rank 0/64} MD step = 80000 step time: 00:00:00.412263 Performance: 35.231 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 05:09:51,259 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 80000 16000 159.96 8253.6 17532 -9278.2 -9278.2 4.0381 4.0905 1.8991 38494 2024-05-08 05:10:30,477 INFO [main.py:798]
{rank 0/64} MD step = 80100 step time: 00:00:00.371466 Performance: 35.228 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 05:10:42,691 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 80100 16020 157.99 8113.8 17316 -9202.3 -9202.3 4.043 4.0949 1.9004 38543 2024-05-08 05:11:20,269 INFO [main.py:798]
{rank 0/64} MD step = 80200 step time: 00:00:00.387355 Performance: 35.227 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 05:11:29,649 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 80200 16040 160.43 8329.5 17584 -9254 -9254 4.0491 4.0991 1.9015 38619 2024-05-08 05:12:08,211 INFO [main.py:798]
{rank 0/64} MD step = 80300 step time: 00:00:00.397726 Performance: 35.228 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 05:12:25,672 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 80300 16060 159.18 8296.8 17446 -9149.2 -9149.2 4.0554 4.1021 1.9018 38658 2024-05-08 05:13:02,441 INFO [main.py:798]
{rank 0/64} MD step = 80400 step time: 00:00:00.373808 Performance: 35.224 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 05:13:11,377 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 80400 16080 157.78 7979.2 17293 -9314.2 -9314.2 4.0613 4.1055 1.904 38694 2024-05-08 05:13:49,730 INFO [main.py:798]
{rank 0/64} MD step = 80500 step time: 00:00:00.451115 Performance: 35.225 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 05:14:00,347 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 80500 16100 159.12 8171.1 17439 -9268.2 -9268.2 4.0668 4.1112 1.9061 38757 2024-05-08 05:14:37,942 INFO [main.py:798]
{rank 0/64} MD step = 80600 step time: 00:00:00.377496 Performance: 35.226 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 05:14:48,877 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 80600 16120 159.75 8304 17509 -9205.3 -9205.3 4.0724 4.1155 1.908 38776 2024-05-08 05:15:25,117 INFO [main.py:798]
{rank 0/64} MD step = 80700 step time: 00:00:00.365038 Performance: 35.228 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 05:15:43,589 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 80700 16140 161.56 8394.5 17707 -9312.4 -9312.4 4.0794 4.1193 1.9093 38804 2024-05-08 05:16:27,641 INFO [main.py:798]
{rank 0/64} MD step = 80800 step time: 00:00:00.413790 Performance: 35.216 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-08 05:16:37,762 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 80800 16160 160.28 8380.3 17567 -9186.2 -9186.2 4.0827 4.125 1.912 38876 2024-05-08 05:17:15,300 INFO [main.py:798]
{rank 0/64} MD step = 80900 step time: 00:00:00.353633 Performance: 35.217 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 05:17:25,262 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 80900 16180 161.6 8472.4 17711 -9238.6 -9238.6 4.0862 4.1301 1.9153 38937 2024-05-08 05:18:04,325 INFO [main.py:798]
{rank 0/64} MD step = 81000 step time: 00:00:00.389968 Performance: 35.217 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 05:18:17,784 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 81000 16200 160.28 8477.2 17567 -9090.1 -9090.1 4.0923 4.1366 1.9177 39001 2024-05-08 05:18:55,833 INFO [main.py:798]
{rank 0/64} MD step = 81100 step time: 00:00:00.375635 Performance: 35.215 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-08 05:19:11,417 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 81100 16220 159.68 8223.9 17501 -9277.1 -9277.1 4.0981 4.1421 1.92 38997 2024-05-08 05:19:50,069 INFO [main.py:798]
{rank 0/64} MD step = 81200 step time: 00:00:00.374053 Performance: 35.210 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-08 05:20:20,853 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 81200 16240 159.9 8560.7 17525 -8964.6 -8964.6 4.1045 4.1448 1.9232 39114 2024-05-08 05:20:59,412 INFO [main.py:798]
{rank 0/64} MD step = 81300 step time: 00:00:00.378421 Performance: 35.192 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 05:21:06,698 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 81300 16260 160.9 8465.1 17635 -9170.1 -9170.1 4.1077 4.1494 1.9261 39131 2024-05-08 05:21:44,959 INFO [main.py:798]
{rank 0/64} MD step = 81400 step time: 00:00:00.390097 Performance: 35.195 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 05:21:53,121 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 81400 16280 159.55 8332.9 17487 -9153.9 -9153.9 4.1137 4.1539 1.9281 39177 2024-05-08 05:22:30,963 INFO [main.py:798]
{rank 0/64} MD step = 81500 step time: 00:00:00.392096 Performance: 35.198 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 05:22:45,495 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 81500 16300 161.79 8571.6 17732 -9160.5 -9160.5 4.1207 4.1599 1.929 39209 2024-05-08 05:23:23,709 INFO [main.py:798]
{rank 0/64} MD step = 81600 step time: 00:00:00.415112 Performance: 35.195 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 05:23:31,384 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 81600 16320 159.91 8361.5 17527 -9165.3 -9165.3 4.1249 4.1636 1.9299 39289 2024-05-08 05:24:09,870 INFO [main.py:798]
{rank 0/64} MD step = 81700 step time: 00:00:00.363141 Performance: 35.197 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 05:24:18,855 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 81700 16340 160.47 8430.1 17588 -9157.5 -9157.5 4.1305 4.1685 1.9303 39320 2024-05-08 05:24:57,625 INFO [main.py:798]
{rank 0/64} MD step = 81800 step time: 00:00:00.385291 Performance: 35.199 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 05:25:09,712 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 81800 16360 157.72 8161 17286 -9124.9 -9124.9 4.1375 4.1732 1.9341 39397 2024-05-08 05:25:47,978 INFO [main.py:798]
{rank 0/64} MD step = 81900 step time: 00:00:00.382524 Performance: 35.198 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 05:25:54,883 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 81900 16380 158.94 8232.6 17420 -9187 -9187 4.1428 4.1793 1.9354 39427 2024-05-08 05:26:32,889 INFO [main.py:798]
{rank 0/64} MD step = 82000 step time: 00:00:00.414781 Performance: 35.201 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 05:26:41,795 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82000 16400 161.46 8452.8 17696 -9243.2 -9243.2 4.1471 4.1819 1.9383 39434 2024-05-08 05:27:20,551 INFO [main.py:798]
{rank 0/64} MD step = 82100 step time: 00:00:00.381892 Performance: 35.202 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 05:27:26,748 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82100 16420 160.77 8423.9 17621 -9196.9 -9196.9 4.1527 4.1889 1.938 39504 2024-05-08 05:28:06,943 INFO [main.py:798]
{rank 0/64} MD step = 82200 step time: 00:00:00.377960 Performance: 35.205 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 05:28:13,639 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82200 16440 161.54 8428.2 17705 -9276.9 -9276.9 4.1567 4.1941 1.9412 39534 2024-05-08 05:28:52,195 INFO [main.py:798]
{rank 0/64} MD step = 82300 step time: 00:00:00.421580 Performance: 35.208 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-08 05:28:59,441 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82300 16460 159.27 8309.5 17456 -9146.6 -9146.6 4.1596 4.1997 1.9431 39576 2024-05-08 05:29:39,016 INFO [main.py:798]
{rank 0/64} MD step = 82400 step time: 00:00:00.384576 Performance: 35.210 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-08 05:29:46,717 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82400 16480 160.41 8392.5 17581 -9188.8 -9188.8 4.1649 4.2042 1.947 39588 2024-05-08 05:30:25,829 INFO [main.py:798]
{rank 0/64} MD step = 82500 step time: 00:00:00.389289 Performance: 35.212 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-08 05:30:34,860 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82500 16500 161.69 8618.3 17721 -9102.7 -9102.7 4.1712 4.2083 1.9477 39684 2024-05-08 05:31:13,794 INFO [main.py:798]
{rank 0/64} MD step = 82600 step time: 00:00:00.400292 Performance: 35.213 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-08 05:31:20,564 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82600 16520 158.53 8241.9 17375 -9132.9 -9132.9 4.178 4.2115 1.9489 39694 2024-05-08 05:32:01,264 INFO [main.py:798]
{rank 0/64} MD step = 82700 step time: 00:00:00.436497 Performance: 35.214 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-08 05:32:14,272 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82700 16540 161.19 8473.5 17666 -9192.9 -9192.9 4.1834 4.2154 1.9506 39738 2024-05-08 05:32:53,515 INFO [main.py:798]
{rank 0/64} MD step = 82800 step time: 00:00:00.403932 Performance: 35.212 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-08 05:33:00,919 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82800 16560 158.49 8141.5 17371 -9229.4 -9229.4 4.1888 4.2206 1.9523 39777 2024-05-08 05:33:39,565 INFO [main.py:798]
{rank 0/64} MD step = 82900 step time: 00:00:00.394108 Performance: 35.214 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-08 05:33:47,553 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 82900 16580 159.59 8258.3 17491 -9232.7 -9232.7 4.1934 4.2238 1.9538 39833 2024-05-08 05:34:26,087 INFO [main.py:798]
{rank 0/64} MD step = 83000 step time: 00:00:00.408469 Performance: 35.217 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 05:34:50,532 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 83000 16600 161.51 8399.1 17702 -9302.8 -9302.8 4.1982 4.2303 1.9571 39891 2024-05-08 05:35:29,147 INFO [main.py:798]
{rank 0/64} MD step = 83100 step time: 00:00:00.368184 Performance: 35.204 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 05:35:36,056 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 83100 16620 159.9 8286.5 17525 -9238.5 -9238.5 4.2042 4.2358 1.9606 39966 2024-05-08 05:36:17,265 INFO [main.py:798]
{rank 0/64} MD step = 83200 step time: 00:00:00.392961 Performance: 35.205 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 05:36:23,816 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 83200 16640 161.36 8525.8 17686 -9159.8 -9159.8 4.2101 4.2424 1.9645 39996 2024-05-08 05:37:02,038 INFO [main.py:798]
{rank 0/64} MD step = 83300 step time: 00:00:00.379083 Performance: 35.209 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-08 05:37:33,373 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 83300 16660 160.56 8396.3 17598 -9201.8 -9201.8 4.2148 4.2477 1.9658 40005 2024-05-08 05:38:12,759 INFO [main.py:798]
{rank 0/64} MD step = 83400 step time: 00:00:00.398181 Performance: 35.190 ns/day 0.682 hours/ns 2.036 steps/s 2024-05-08 05:38:19,617 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 83400 16680 159.57 8270.6 17489 -9218 -9218 4.2192 4.2524 1.9685 40065 2024-05-08 05:38:57,783 INFO [main.py:798]
{rank 0/64} MD step = 83500 step time: 00:00:00.373824 Performance: 35.194 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 05:39:05,103 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 83500 16700 159.29 8252.6 17458 -9205.3 -9205.3 4.2264 4.2584 1.9697 40139 2024-05-08 05:39:43,431 INFO [main.py:798]
{rank 0/64} MD step = 83600 step time: 00:00:00.352220 Performance: 35.197 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 05:39:56,215 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 83600 16720 160.94 8389.3 17640 -9250.3 -9250.3 4.231 4.2634 1.9704 40155 2024-05-08 05:40:34,937 INFO [main.py:798]
{rank 0/64} MD step = 83700 step time: 00:00:00.377283 Performance: 35.195 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 05:40:40,682 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 83700 16740 163.77 8772.5 17950 -9177.3 -9177.3 4.2322 4.2698 1.9722 40156 2024-05-08 05:41:20,102 INFO [main.py:798]
{rank 0/64} MD step = 83800 step time: 00:00:00.382848 Performance: 35.198 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 05:41:28,964 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 83800 16760 160.49 8423.3 17589 -9166.2 -9166.2 4.2367 4.2767 1.9733 40218 2024-05-08 05:42:07,569 INFO [main.py:798]
{rank 0/64} MD step = 83900 step time: 00:00:00.389969 Performance: 35.200 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 05:42:16,304 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 83900 16780 159.67 8400.2 17500 -9099.8 -9099.8 4.2428 4.2816 1.9741 40267 2024-05-08 05:42:55,154 INFO [main.py:798]
{rank 0/64} MD step = 84000 step time: 00:00:00.397158 Performance: 35.201 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 05:43:02,175 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84000 16800 160.21 8408.7 17559 -9150.2 -9150.2 4.2477 4.2853 1.9767 40303 2024-05-08 05:43:39,482 INFO [main.py:798]
{rank 0/64} MD step = 84100 step time: 00:00:00.398667 Performance: 35.205 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 05:43:48,895 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84100 16820 160.18 8358.3 17556 -9198.2 -9198.2 4.2526 4.2901 1.9783 40374 2024-05-08 05:44:27,355 INFO [main.py:798]
{rank 0/64} MD step = 84200 step time: 00:00:00.400958 Performance: 35.206 ns/day 0.682 hours/ns 2.037 steps/s 2024-05-08 05:44:34,963 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84200 16840 160.66 8463.2 17608 -9145.1 -9145.1 4.2571 4.2949 1.9796 40421 2024-05-08 05:45:12,600 INFO [main.py:798]
{rank 0/64} MD step = 84300 step time: 00:00:00.396645 Performance: 35.209 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-08 05:45:19,923 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84300 16860 161.54 8511.9 17705 -9193.5 -9193.5 4.2623 4.3002 1.9807 40473 2024-05-08 05:45:59,255 INFO [main.py:798]
{rank 0/64} MD step = 84400 step time: 00:00:00.404815 Performance: 35.211 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-08 05:46:10,375 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84400 16880 160.35 8234.1 17575 -9340.4 -9340.4 4.2664 4.3046 1.9854 40516 2024-05-08 05:46:48,375 INFO [main.py:798]
{rank 0/64} MD step = 84500 step time: 00:00:00.391165 Performance: 35.211 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-08 05:46:57,387 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84500 16900 160.11 8375.3 17549 -9173.5 -9173.5 4.2711 4.3084 1.988 40573 2024-05-08 05:47:35,702 INFO [main.py:798]
{rank 0/64} MD step = 84600 step time: 00:00:00.378165 Performance: 35.213 ns/day 0.682 hours/ns 2.038 steps/s 2024-05-08 05:47:41,456 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84600 16920 157.1 8114.1 17219 -9104.6 -9104.6 4.2755 4.3119 1.9903 40606 2024-05-08 05:48:18,838 INFO [main.py:798]
{rank 0/64} MD step = 84700 step time: 00:00:00.407185 Performance: 35.218 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 05:48:26,246 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84700 16940 160.78 8568 17622 -9054.2 -9054.2 4.282 4.3178 1.9928 40663 2024-05-08 05:49:04,767 INFO [main.py:798]
{rank 0/64} MD step = 84800 step time: 00:00:00.405841 Performance: 35.220 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 05:49:12,433 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84800 16960 158.12 8134.5 17330 -9195.6 -9195.6 4.2866 4.3224 1.9933 40691 2024-05-08 05:49:50,634 INFO [main.py:798]
{rank 0/64} MD step = 84900 step time: 00:00:00.380099 Performance: 35.223 ns/day 0.681 hours/ns 2.038 steps/s 2024-05-08 05:49:57,136 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 84900 16980 161.08 8382.9 17655 -9271.9 -9271.9 4.2898 4.3282 1.9969 40735 2024-05-08 05:50:36,371 INFO [main.py:798]
{rank 0/64} MD step = 85000 step time: 00:00:00.386068 Performance: 35.226 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 05:50:42,632 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 85000 17000 159.47 8282.1 17478 -9195.9 -9195.9 4.2946 4.3325 1.9973 40771 2024-05-08 05:51:21,320 INFO [main.py:798]
{rank 0/64} MD step = 85100 step time: 00:00:00.376746 Performance: 35.229 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 05:51:28,757 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 85100 17020 159.74 8390.6 17508 -9117.4 -9117.4 4.3002 4.3363 2.001 40815 2024-05-08 05:52:05,882 INFO [main.py:798]
{rank 0/64} MD step = 85200 step time: 00:00:00.353232 Performance: 35.233 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 05:52:13,733 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 85200 17040 158.46 8253.8 17367 -9113.4 -9113.4 4.3051 4.342 2.003 40811 2024-05-08 05:52:52,689 INFO [main.py:798]
{rank 0/64} MD step = 85300 step time: 00:00:00.356115 Performance: 35.235 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 05:53:08,891 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 85300 17060 159.62 8264.8 17494 -9229.4 -9229.4 4.3115 4.3474 2.0061 40860 2024-05-08 05:53:47,508 INFO [main.py:798]
{rank 0/64} MD step = 85400 step time: 00:00:00.364943 Performance: 35.230 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 05:53:54,702 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 85400 17080 159.88 8377.8 17523 -9145.4 -9145.4 4.3169 4.3505 2.0067 40926 2024-05-08 05:54:34,955 INFO [main.py:798]
{rank 0/64} MD step = 85500 step time: 00:00:00.368735 Performance: 35.231 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 05:54:42,169 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 85500 17100 160.8 8472 17624 -9151.9 -9151.9 4.3215 4.3563 2.0091 40981 2024-05-08 05:55:20,098 INFO [main.py:798]
{rank 0/64} MD step = 85600 step time: 00:00:00.378386 Performance: 35.235 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 05:55:26,406 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 85600 17120 161.59 8492.9 17710 -9217.4 -9217.4 4.3284 4.3609 2.0114 41017 2024-05-08 05:56:07,084 INFO [main.py:798]
{rank 0/64} MD step = 85700 step time: 00:00:00.353769 Performance: 35.236 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 05:56:14,719 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 85700 17140 160.57 8421.3 17599 -9177.6 -9177.6 4.3327 4.3659 2.0126 41056 2024-05-08 05:56:53,011 INFO [main.py:798]
{rank 0/64} MD step = 85800 step time: 00:00:00.368464 Performance: 35.239 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 05:56:59,668 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 85800 17160 158.39 8246.6 17359 -9112.7 -9112.7 4.3376 4.371 2.0169 41103 2024-05-08 05:57:39,411 INFO [main.py:798]
{rank 0/64} MD step = 85900 step time: 00:00:00.360561 Performance: 35.241 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 05:57:50,034 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 85900 17180 159.65 8478.7 17498 -9019.2 -9019.2 4.3432 4.3753 2.0195 41164 2024-05-08 05:58:28,699 INFO [main.py:798]
{rank 0/64} MD step = 86000 step time: 00:00:00.390977 Performance: 35.241 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 05:58:38,275 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86000 17200 158.71 8165.6 17395 -9229.6 -9229.6 4.3468 4.3796 2.0212 41205 2024-05-08 05:59:18,648 INFO [main.py:798]
{rank 0/64} MD step = 86100 step time: 00:00:00.352883 Performance: 35.240 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 05:59:27,003 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86100 17220 159.85 8293.8 17519 -9225.6 -9225.6 4.3501 4.3849 2.0222 41235 2024-05-08 06:00:06,443 INFO [main.py:798]
{rank 0/64} MD step = 86200 step time: 00:00:00.391536 Performance: 35.241 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 06:00:15,210 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86200 17240 158.48 8138.9 17369 -9230.3 -9230.3 4.3536 4.3911 2.0258 41298 2024-05-08 06:00:53,887 INFO [main.py:798]
{rank 0/64} MD step = 86300 step time: 00:00:00.402623 Performance: 35.243 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 06:01:14,988 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86300 17260 160.53 8459.4 17594 -9134.7 -9134.7 4.3598 4.3966 2.027 41368 2024-05-08 06:01:53,130 INFO [main.py:798]
{rank 0/64} MD step = 86400 step time: 00:00:00.358162 Performance: 35.234 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 06:02:01,492 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86400 17280 160.08 8419.2 17545 -9125.8 -9125.8 4.3648 4.4032 2.0323 41394 2024-05-08 06:02:40,006 INFO [main.py:798]
{rank 0/64} MD step = 86500 step time: 00:00:00.343339 Performance: 35.236 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 06:02:47,752 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86500 17300 158.44 8179.3 17366 -9186.2 -9186.2 4.368 4.409 2.0323 41437 2024-05-08 06:03:25,888 INFO [main.py:798]
{rank 0/64} MD step = 86600 step time: 00:00:00.401348 Performance: 35.239 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 06:03:33,590 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86600 17320 159.95 8350.3 17530 -9180 -9180 4.3717 4.4151 2.0346 41463 2024-05-08 06:04:13,283 INFO [main.py:798]
{rank 0/64} MD step = 86700 step time: 00:00:00.394146 Performance: 35.240 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 06:04:22,670 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86700 17340 158.15 8152.1 17333 -9181.1 -9181.1 4.3785 4.4215 2.0386 41519 2024-05-08 06:05:00,158 INFO [main.py:798]
{rank 0/64} MD step = 86800 step time: 00:00:00.416095 Performance: 35.242 ns/day 0.681 hours/ns 2.039 steps/s 2024-05-08 06:05:07,373 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86800 17360 158.07 8136.5 17325 -9188.1 -9188.1 4.384 4.4256 2.0399 41576 2024-05-08 06:05:44,803 INFO [main.py:798]
{rank 0/64} MD step = 86900 step time: 00:00:00.380776 Performance: 35.245 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 06:05:53,381 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 86900 17380 157.33 8117 17243 -9126.5 -9126.5 4.3887 4.4293 2.0424 41634 2024-05-08 06:06:33,320 INFO [main.py:798]
{rank 0/64} MD step = 87000 step time: 00:00:00.391650 Performance: 35.246 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 06:06:40,254 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87000 17400 160.28 8414.2 17567 -9153.2 -9153.2 4.3938 4.4334 2.0442 41663 2024-05-08 06:07:17,696 INFO [main.py:798]
{rank 0/64} MD step = 87100 step time: 00:00:00.373900 Performance: 35.250 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 06:07:24,560 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87100 17420 158.08 8122.7 17326 -9203.3 -9203.3 4.399 4.4386 2.0455 41701 2024-05-08 06:08:04,843 INFO [main.py:798]
{rank 0/64} MD step = 87200 step time: 00:00:00.359282 Performance: 35.251 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 06:08:11,771 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87200 17440 160.17 8353.3 17555 -9202 -9202 4.4028 4.442 2.0475 41692 2024-05-08 06:08:49,256 INFO [main.py:798]
{rank 0/64} MD step = 87300 step time: 00:00:00.372829 Performance: 35.255 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 06:08:59,634 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87300 17460 159.17 8278.7 17446 -9167 -9167 4.4073 4.4467 2.05 41777 2024-05-08 06:09:36,998 INFO [main.py:798]
{rank 0/64} MD step = 87400 step time: 00:00:00.396808 Performance: 35.256 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 06:09:44,381 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87400 17480 160.75 8376 17619 -9242.5 -9242.5 4.4123 4.4515 2.0518 41808 2024-05-08 06:10:21,909 INFO [main.py:798]
{rank 0/64} MD step = 87500 step time: 00:00:00.335293 Performance: 35.259 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 06:10:32,952 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87500 17500 157.31 8060.7 17241 -9180.8 -9180.8 4.416 4.4558 2.0552 41862 2024-05-08 06:11:13,612 INFO [main.py:798]
{rank 0/64} MD step = 87600 step time: 00:00:00.337076 Performance: 35.257 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 06:11:22,334 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87600 17520 162.68 8481.5 17830 -9348.5 -9348.5 4.4212 4.4596 2.0566 41910 2024-05-08 06:12:02,083 INFO [main.py:798]
{rank 0/64} MD step = 87700 step time: 00:00:00.359939 Performance: 35.258 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 06:12:18,958 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87700 17540 158.36 8216 17357 -9140.9 -9140.9 4.4263 4.4634 2.06 41973 2024-05-08 06:12:57,039 INFO [main.py:798]
{rank 0/64} MD step = 87800 step time: 00:00:00.360477 Performance: 35.253 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 06:13:06,194 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87800 17560 159.68 8267.1 17501 -9234.1 -9234.1 4.4321 4.4683 2.0623 42013 2024-05-08 06:13:45,255 INFO [main.py:798]
{rank 0/64} MD step = 87900 step time: 00:00:00.368172 Performance: 35.253 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 06:13:53,406 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 87900 17580 157.42 8123.9 17254 -9129.6 -9129.6 4.4377 4.4747 2.0654 42065 2024-05-08 06:14:32,972 INFO [main.py:798]
{rank 0/64} MD step = 88000 step time: 00:00:00.400097 Performance: 35.254 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 06:14:43,676 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88000 17600 160.97 8502.3 17642 -9140.1 -9140.1 4.4422 4.4797 2.0684 42116 2024-05-08 06:15:22,438 INFO [main.py:798]
{rank 0/64} MD step = 88100 step time: 00:00:00.379679 Performance: 35.254 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 06:15:31,319 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88100 17620 158.73 8239.3 17397 -9157.5 -9157.5 4.4473 4.4852 2.0704 42154 2024-05-08 06:16:10,188 INFO [main.py:798]
{rank 0/64} MD step = 88200 step time: 00:00:00.448932 Performance: 35.255 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 06:16:20,328 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88200 17640 160.32 8446 17571 -9124.8 -9124.8 4.4521 4.4886 2.0726 42213 2024-05-08 06:16:58,115 INFO [main.py:798]
{rank 0/64} MD step = 88300 step time: 00:00:00.425939 Performance: 35.256 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 06:17:07,045 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88300 17660 159.12 8339 17439 -9100.5 -9100.5 4.4561 4.4921 2.0738 42267 2024-05-08 06:17:46,573 INFO [main.py:798]
{rank 0/64} MD step = 88400 step time: 00:00:00.416324 Performance: 35.256 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 06:18:10,812 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88400 17680 161.37 8536.7 17686 -9149.4 -9149.4 4.4612 4.4976 2.0742 42318 2024-05-08 06:18:50,725 INFO [main.py:798]
{rank 0/64} MD step = 88500 step time: 00:00:00.392397 Performance: 35.244 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 06:18:59,290 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88500 17700 159.98 8381.5 17533 -9152 -9152 4.4674 4.5036 2.0761 42344 2024-05-08 06:19:38,026 INFO [main.py:798]
{rank 0/64} MD step = 88600 step time: 00:00:00.379894 Performance: 35.246 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 06:19:45,098 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88600 17720 161.91 8501.6 17746 -9243.9 -9243.9 4.4723 4.5085 2.0769 42382 2024-05-08 06:20:25,667 INFO [main.py:798]
{rank 0/64} MD step = 88700 step time: 00:00:00.400509 Performance: 35.247 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 06:20:33,011 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88700 17740 158.01 8157.1 17318 -9160.5 -9160.5 4.4788 4.5129 2.0795 42454 2024-05-08 06:21:11,392 INFO [main.py:798]
{rank 0/64} MD step = 88800 step time: 00:00:00.426775 Performance: 35.249 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 06:21:18,217 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88800 17760 159.01 8101.3 17428 -9326.7 -9326.7 4.4848 4.5197 2.0814 42456 2024-05-08 06:21:57,799 INFO [main.py:798]
{rank 0/64} MD step = 88900 step time: 00:00:00.393675 Performance: 35.251 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 06:22:06,179 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 88900 17780 159.52 8322.9 17484 -9160.7 -9160.7 4.49 4.5253 2.0841 42550 2024-05-08 06:22:44,298 INFO [main.py:798]
{rank 0/64} MD step = 89000 step time: 00:00:00.379294 Performance: 35.254 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 06:22:51,760 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 89000 17800 160.22 8334.9 17560 -9224.9 -9224.9 4.4961 4.5296 2.0878 42566 2024-05-08 06:23:30,157 INFO [main.py:798]
{rank 0/64} MD step = 89100 step time: 00:00:00.390558 Performance: 35.256 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 06:23:39,849 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 89100 17820 161.88 8580.4 17742 -9161.8 -9161.8 4.5007 4.5356 2.0905 42622 2024-05-08 06:24:17,775 INFO [main.py:798]
{rank 0/64} MD step = 89200 step time: 00:00:00.394457 Performance: 35.257 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 06:24:23,734 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 89200 17840 158.82 8208.9 17407 -9198.2 -9198.2 4.5053 4.5409 2.0937 42658 2024-05-08 06:25:00,952 INFO [main.py:798]
{rank 0/64} MD step = 89300 step time: 00:00:00.360437 Performance: 35.262 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 06:25:08,792 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 89300 17860 158.2 8130.3 17338 -9208 -9208 4.5094 4.5454 2.095 42683 2024-05-08 06:25:47,718 INFO [main.py:798]
{rank 0/64} MD step = 89400 step time: 00:00:00.435251 Performance: 35.264 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 06:25:55,227 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 89400 17880 160.5 8498.8 17591 -9092.2 -9092.2 4.5134 4.5498 2.0972 42735 2024-05-08 06:26:33,825 INFO [main.py:798]
{rank 0/64} MD step = 89500 step time: 00:00:00.399288 Performance: 35.266 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 06:26:42,292 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 89500 17900 159.76 8320.7 17509 -9188.7 -9188.7 4.5176 4.5563 2.1002 42802 2024-05-08 06:27:21,779 INFO [main.py:798]
{rank 0/64} MD step = 89600 step time: 00:00:00.381839 Performance: 35.267 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 06:27:42,693 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 89600 17920 157.72 8000.9 17287 -9286 -9286 4.5205 4.5625 2.1014 42821 2024-05-08 06:28:21,431 INFO [main.py:798]
{rank 0/64} MD step = 89700 step time: 00:00:00.388470 Performance: 35.258 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 06:28:37,620 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 89700 17940 160.68 8380.3 17610 -9229.9 -9229.9 4.5256 4.5695 2.1044 42899 2024-05-08 06:29:15,424 INFO [main.py:798]
{rank 0/64} MD step = 89800 step time: 00:00:00.361645 Performance: 35.254 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 06:29:25,203 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 89800 17960 159.63 8258.6 17496 -9237.3 -9237.3 4.5308 4.5745 2.1043 42970 2024-05-08 06:30:02,635 INFO [main.py:798]
{rank 0/64} MD step = 89900 step time: 00:00:00.378127 Performance: 35.256 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 06:30:07,709 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 89900 17980 159.02 8170.8 17428 -9257.5 -9257.5 4.5369 4.5796 2.1089 43008 2024-05-08 06:30:47,666 INFO [main.py:798]
{rank 0/64} MD step = 90000 step time: 00:00:00.408519 Performance: 35.259 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 06:30:55,256 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90000 18000 163.89 8742.6 17962 -9219.6 -9219.6 4.5437 4.5843 2.11 43062 2024-05-08 06:31:33,299 INFO [main.py:798]
{rank 0/64} MD step = 90100 step time: 00:00:00.397235 Performance: 35.262 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 06:31:40,107 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90100 18020 161.12 8543 17659 -9116 -9116 4.5489 4.5883 2.1119 43094 2024-05-08 06:32:19,309 INFO [main.py:798]
{rank 0/64} MD step = 90200 step time: 00:00:00.379173 Performance: 35.264 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 06:32:27,274 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90200 18040 161.46 8493.7 17696 -9202.5 -9202.5 4.5571 4.5943 2.1152 43101 2024-05-08 06:33:06,363 INFO [main.py:798]
{rank 0/64} MD step = 90300 step time: 00:00:00.393811 Performance: 35.266 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 06:33:14,997 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90300 18060 158.27 8210.4 17347 -9136.2 -9136.2 4.5625 4.6012 2.1174 43164 2024-05-08 06:33:53,009 INFO [main.py:798]
{rank 0/64} MD step = 90400 step time: 00:00:00.384793 Performance: 35.267 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 06:34:00,928 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90400 18080 160.6 8327.6 17602 -9274.6 -9274.6 4.5691 4.6061 2.1216 43204 2024-05-08 06:34:38,511 INFO [main.py:798]
{rank 0/64} MD step = 90500 step time: 00:00:00.366148 Performance: 35.270 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-08 06:34:53,298 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90500 18100 157.79 8039.8 17294 -9254.6 -9254.6 4.5735 4.6132 2.1239 43230 2024-05-08 06:35:32,154 INFO [main.py:798]
{rank 0/64} MD step = 90600 step time: 00:00:00.381104 Performance: 35.267 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 06:35:40,880 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90600 18120 157.84 8198 17299 -9101.2 -9101.2 4.5791 4.6179 2.1263 43281 2024-05-08 06:36:20,106 INFO [main.py:798]
{rank 0/64} MD step = 90700 step time: 00:00:00.359249 Performance: 35.267 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 06:36:27,527 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90700 18140 159.74 8333.6 17508 -9174.6 -9174.6 4.5823 4.6238 2.1296 43336 2024-05-08 06:37:07,773 INFO [main.py:798]
{rank 0/64} MD step = 90800 step time: 00:00:00.385372 Performance: 35.268 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-08 06:37:14,810 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90800 18160 160.93 8439.8 17639 -9198.8 -9198.8 4.5843 4.629 2.1311 43362 2024-05-08 06:37:54,892 INFO [main.py:798]
{rank 0/64} MD step = 90900 step time: 00:00:00.372974 Performance: 35.270 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-08 06:38:09,422 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 90900 18180 158.15 8135.1 17334 -9198.4 -9198.4 4.588 4.6336 2.1349 43435 2024-05-08 06:38:49,896 INFO [main.py:798]
{rank 0/64} MD step = 91000 step time: 00:00:00.393975 Performance: 35.265 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 06:38:57,825 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 91000 18200 160.87 8396.7 17632 -9235 -9235 4.5944 4.637 2.1369 43465 2024-05-08 06:39:36,478 INFO [main.py:798]
{rank 0/64} MD step = 91100 step time: 00:00:00.419954 Performance: 35.267 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 06:39:43,188 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 91100 18220 159.89 8343.6 17524 -9180 -9180 4.6012 4.6435 2.1397 43513 2024-05-08 06:40:23,081 INFO [main.py:798]
{rank 0/64} MD step = 91200 step time: 00:00:00.394377 Performance: 35.269 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-08 06:40:29,467 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 91200 18240 159.71 8485.5 17504 -9018.6 -9018.6 4.6066 4.6485 2.1404 43548 2024-05-08 06:41:09,379 INFO [main.py:798]
{rank 0/64} MD step = 91300 step time: 00:00:00.350709 Performance: 35.271 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-08 06:41:22,630 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 91300 18260 161.14 8491.3 17661 -9169.9 -9169.9 4.6115 4.6555 2.141 43579 2024-05-08 06:42:02,139 INFO [main.py:798]
{rank 0/64} MD step = 91400 step time: 00:00:00.373658 Performance: 35.268 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 06:42:07,405 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 91400 18280 161.26 8452.3 17674 -9222.2 -9222.2 4.6158 4.6601 2.1437 43664 2024-05-08 06:42:49,412 INFO [main.py:798]
{rank 0/64} MD step = 91500 step time: 00:00:00.427921 Performance: 35.269 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-08 06:42:54,739 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 91500 18300 158.53 8206.6 17375 -9168 -9168 4.6202 4.6658 2.1465 43707 2024-05-08 06:43:32,836 INFO [main.py:798]
{rank 0/64} MD step = 91600 step time: 00:00:00.414471 Performance: 35.274 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-08 06:43:39,497 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 91600 18320 162.81 8649.9 17844 -9194.5 -9194.5 4.6267 4.6734 2.1482 43746 2024-05-08 06:44:19,763 INFO [main.py:798]
{rank 0/64} MD step = 91700 step time: 00:00:00.393668 Performance: 35.275 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-08 06:44:43,907 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 91700 18340 158.32 8094 17352 -9258 -9258 4.6323 4.6787 2.1497 43771 2024-05-08 06:45:23,174 INFO [main.py:798]
{rank 0/64} MD step = 91800 step time: 00:00:00.441573 Performance: 35.264 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 06:45:29,575 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 91800 18360 162.11 8574.8 17767 -9192.4 -9192.4 4.6366 4.6845 2.1534 43804 2024-05-08 06:46:08,713 INFO [main.py:798]
{rank 0/64} MD step = 91900 step time: 00:00:00.392537 Performance: 35.267 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 06:46:16,124 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 91900 18380 161.4 8541.1 17689 -9148.2 -9148.2 4.6407 4.6918 2.1564 43839 2024-05-08 06:46:53,072 INFO [main.py:798]
{rank 0/64} MD step = 92000 step time: 00:00:00.371071 Performance: 35.271 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-08 06:47:05,097 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 92000 18400 161.49 8653.4 17699 -9045.9 -9045.9 4.6462 4.6965 2.1599 43889 2024-05-08 06:47:47,889 INFO [main.py:798]
{rank 0/64} MD step = 92100 step time: 00:00:00.395576 Performance: 35.266 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 06:47:56,516 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 92100 18420 158.97 8228.3 17423 -9194.8 -9194.8 4.6514 4.7029 2.1611 43938 2024-05-08 06:48:36,204 INFO [main.py:798]
{rank 0/64} MD step = 92200 step time: 00:00:00.365847 Performance: 35.267 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 06:48:50,005 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 92200 18440 160.97 8511.6 17642 -9130.8 -9130.8 4.6554 4.7075 2.1637 44008 2024-05-08 06:49:30,325 INFO [main.py:798]
{rank 0/64} MD step = 92300 step time: 00:00:00.397488 Performance: 35.263 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 06:49:38,627 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 92300 18460 159.9 8318.2 17525 -9206.9 -9206.9 4.6588 4.7118 2.1658 44048 2024-05-08 06:50:18,617 INFO [main.py:798]
{rank 0/64} MD step = 92400 step time: 00:00:00.387587 Performance: 35.263 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 06:50:25,177 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 92400 18480 157.67 8022.2 17281 -9258.6 -9258.6 4.6636 4.7191 2.1701 44084 2024-05-08 06:51:05,489 INFO [main.py:798]
{rank 0/64} MD step = 92500 step time: 00:00:00.382917 Performance: 35.265 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 06:51:11,946 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 92500 18500 161.46 8452.8 17696 -9243 -9243 4.6703 4.7226 2.1715 44109 2024-05-08 06:51:50,781 INFO [main.py:798]
{rank 0/64} MD step = 92600 step time: 00:00:00.380183 Performance: 35.268 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 06:51:57,581 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 92600 18520 160.85 8395.9 17629 -9233.6 -9233.6 4.6752 4.725 2.1732 44173 2024-05-08 06:52:37,850 INFO [main.py:798]
{rank 0/64} MD step = 92700 step time: 00:00:00.381915 Performance: 35.269 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-08 06:52:46,007 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 92700 18540 161.54 8380.9 17705 -9323.8 -9323.8 4.6805 4.7301 2.1757 44237 2024-05-08 06:53:26,181 INFO [main.py:798]
{rank 0/64} MD step = 92800 step time: 00:00:00.383721 Performance: 35.270 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-08 06:53:39,730 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 92800 18560 160.46 8285.5 17587 -9301.4 -9301.4 4.6864 4.7357 2.1773 44279 2024-05-08 06:54:19,129 INFO [main.py:798]
{rank 0/64} MD step = 92900 step time: 00:00:00.393530 Performance: 35.267 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 06:54:25,905 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 92900 18580 159.11 8267.1 17438 -9171 -9171 4.6919 4.7404 2.1786 44316 2024-05-08 06:55:06,008 INFO [main.py:798]
{rank 0/64} MD step = 93000 step time: 00:00:00.387568 Performance: 35.268 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-08 06:55:12,568 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93000 18600 159.75 8322.1 17509 -9186.6 -9186.6 4.6962 4.7436 2.1797 44350 2024-05-08 06:55:52,110 INFO [main.py:798]
{rank 0/64} MD step = 93100 step time: 00:00:00.387895 Performance: 35.270 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-08 06:55:58,582 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93100 18620 160.3 8421.6 17569 -9147.1 -9147.1 4.7025 4.7499 2.1824 44395 2024-05-08 06:56:37,131 INFO [main.py:798]
{rank 0/64} MD step = 93200 step time: 00:00:00.365590 Performance: 35.273 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-08 06:56:46,194 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93200 18640 158.26 8155.4 17345 -9189.9 -9189.9 4.7058 4.7545 2.1862 44486 2024-05-08 06:57:26,556 INFO [main.py:798]
{rank 0/64} MD step = 93300 step time: 00:00:00.414661 Performance: 35.273 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-08 06:57:33,187 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93300 18660 162.25 8520.9 17783 -9261.6 -9261.6 4.7104 4.7594 2.189 44503 2024-05-08 06:58:13,554 INFO [main.py:798]
{rank 0/64} MD step = 93400 step time: 00:00:00.397674 Performance: 35.275 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-08 06:58:26,918 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93400 18680 159.18 8156.7 17446 -9289.4 -9289.4 4.715 4.7637 2.1926 44583 2024-05-08 06:59:06,859 INFO [main.py:798]
{rank 0/64} MD step = 93500 step time: 00:00:00.410589 Performance: 35.271 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-08 06:59:27,362 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93500 18700 161.36 8434.8 17685 -9250.2 -9250.2 4.7198 4.7707 2.1931 44620 2024-05-08 07:00:02,194 INFO [main.py:798]
{rank 0/64} MD step = 93600 step time: 00:00:00.337649 Performance: 35.266 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 07:00:16,618 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93600 18720 160.48 8399.2 17589 -9190 -9190 4.7257 4.7759 2.1941 44664 2024-05-08 07:00:55,647 INFO [main.py:798]
{rank 0/64} MD step = 93700 step time: 00:00:00.437713 Performance: 35.263 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 07:01:03,093 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93700 18740 162.27 8674.5 17785 -9110.3 -9110.3 4.7321 4.7815 2.1951 44736 2024-05-08 07:01:43,179 INFO [main.py:798]
{rank 0/64} MD step = 93800 step time: 00:00:00.411268 Performance: 35.264 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 07:01:50,429 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93800 18760 159.93 8290.2 17528 -9238 -9238 4.7379 4.7874 2.199 44744 2024-05-08 07:02:30,486 INFO [main.py:798]
{rank 0/64} MD step = 93900 step time: 00:00:00.448875 Performance: 35.265 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 07:02:41,308 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 93900 18780 160.41 8411.4 17581 -9169.8 -9169.8 4.7416 4.7933 2.1998 44800 2024-05-08 07:03:21,557 INFO [main.py:798]
{rank 0/64} MD step = 94000 step time: 00:00:00.405713 Performance: 35.264 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 07:03:33,124 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 94000 18800 160.25 8325.5 17563 -9237.8 -9237.8 4.747 4.7973 2.2018 44846 2024-05-08 07:04:11,601 INFO [main.py:798]
{rank 0/64} MD step = 94100 step time: 00:00:00.418067 Performance: 35.263 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 07:04:19,312 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 94100 18820 158.73 8361.6 17397 -9035.8 -9035.8 4.7519 4.8023 2.2048 44892 2024-05-08 07:04:59,138 INFO [main.py:798]
{rank 0/64} MD step = 94200 step time: 00:00:00.399031 Performance: 35.264 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 07:05:04,177 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 94200 18840 160.81 8441.6 17625 -9183.5 -9183.5 4.7594 4.8069 2.2074 44930 2024-05-08 07:05:45,759 INFO [main.py:798]
{rank 0/64} MD step = 94300 step time: 00:00:00.401570 Performance: 35.266 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 07:05:53,945 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 94300 18860 159.65 8273 17498 -9225.2 -9225.2 4.765 4.8106 2.2084 44946 2024-05-08 07:06:33,844 INFO [main.py:798]
{rank 0/64} MD step = 94400 step time: 00:00:00.445511 Performance: 35.267 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 07:06:41,699 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 94400 18880 160.97 8508.7 17643 -9134.1 -9134.1 4.7686 4.8168 2.209 44996 2024-05-08 07:07:21,734 INFO [main.py:798]
{rank 0/64} MD step = 94500 step time: 00:00:00.397296 Performance: 35.268 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 07:07:28,617 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 94500 18900 161.19 8459.9 17667 -9206.8 -9206.8 4.7727 4.8201 2.2149 45065 2024-05-08 07:08:08,969 INFO [main.py:798]
{rank 0/64} MD step = 94600 step time: 00:00:00.404985 Performance: 35.269 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-08 07:08:13,660 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 94600 18920 157.45 8106.9 17257 -9149.7 -9149.7 4.7801 4.825 2.2154 45100 2024-05-08 07:08:54,318 INFO [main.py:798]
{rank 0/64} MD step = 94700 step time: 00:00:00.381631 Performance: 35.272 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-08 07:09:06,048 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 94700 18940 163.77 8737.1 17949 -9211.8 -9211.8 4.7851 4.8275 2.2182 45180 2024-05-08 07:09:46,160 INFO [main.py:798]
{rank 0/64} MD step = 94800 step time: 00:00:00.416443 Performance: 35.270 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-08 07:09:59,070 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 94800 18960 159.44 8293.9 17475 -9181.3 -9181.3 4.7895 4.8315 2.2231 45203 2024-05-08 07:10:39,722 INFO [main.py:798]
{rank 0/64} MD step = 94900 step time: 00:00:00.419883 Performance: 35.266 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 07:10:45,663 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 94900 18980 161.25 8440.7 17674 -9233 -9233 4.7951 4.8377 2.2247 45269 2024-05-08 07:11:25,527 INFO [main.py:798]
{rank 0/64} MD step = 95000 step time: 00:00:00.433542 Performance: 35.268 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-08 07:11:34,291 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 95000 19000 158.96 8332 17423 -9090.5 -9090.5 4.8021 4.8423 2.2269 45340 2024-05-08 07:12:14,155 INFO [main.py:798]
{rank 0/64} MD step = 95100 step time: 00:00:00.424411 Performance: 35.269 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-08 07:12:22,191 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 95100 19020 158.34 8079.4 17354 -9274.6 -9274.6 4.8084 4.8469 2.2288 45364 2024-05-08 07:13:02,029 INFO [main.py:798]
{rank 0/64} MD step = 95200 step time: 00:00:00.449718 Performance: 35.270 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-08 07:13:10,238 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 95200 19040 160.5 8387.9 17591 -9203.4 -9203.4 4.8146 4.8508 2.2319 45424 2024-05-08 07:13:47,868 INFO [main.py:798]
{rank 0/64} MD step = 95300 step time: 00:00:00.411501 Performance: 35.272 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-08 07:13:58,044 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 95300 19060 160.14 8349 17552 -9202.8 -9202.8 4.8196 4.8564 2.234 45446 2024-05-08 07:14:36,720 INFO [main.py:798]
{rank 0/64} MD step = 95400 step time: 00:00:00.420293 Performance: 35.272 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-08 07:14:44,015 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 95400 19080 159.78 8212.8 17512 -9299.6 -9299.6 4.8226 4.8619 2.2392 45486 2024-05-08 07:15:24,108 INFO [main.py:798]
{rank 0/64} MD step = 95500 step time: 00:00:00.389326 Performance: 35.273 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-08 07:15:51,815 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 95500 19100 159.29 8344.5 17459 -9114.1 -9114.1 4.8274 4.8676 2.2421 45522 2024-05-08 07:16:31,519 INFO [main.py:798]
{rank 0/64} MD step = 95600 step time: 00:00:00.401463 Performance: 35.259 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 07:16:39,979 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 95600 19120 158.41 8181.3 17362 -9180.3 -9180.3 4.8301 4.8718 2.2439 45558 2024-05-08 07:17:19,572 INFO [main.py:798]
{rank 0/64} MD step = 95700 step time: 00:00:00.379919 Performance: 35.260 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 07:17:33,103 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 95700 19140 161.54 8559.5 17705 -9145.9 -9145.9 4.8346 4.8768 2.2444 45615 2024-05-08 07:18:12,018 INFO [main.py:798]
{rank 0/64} MD step = 95800 step time: 00:00:00.378027 Performance: 35.258 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 07:18:22,202 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 95800 19160 161.25 8450.6 17674 -9223 -9223 4.8396 4.8816 2.2457 45650 2024-05-08 07:19:01,678 INFO [main.py:798]
{rank 0/64} MD step = 95900 step time: 00:00:00.416606 Performance: 35.257 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 07:19:14,289 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 95900 19180 159.97 8352.6 17533 -9180.1 -9180.1 4.8437 4.889 2.2486 45720 2024-05-08 07:19:53,155 INFO [main.py:798]
{rank 0/64} MD step = 96000 step time: 00:00:00.398960 Performance: 35.255 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 07:20:04,047 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 96000 19200 159.87 8364.6 17522 -9157.8 -9157.8 4.8491 4.8956 2.2517 45731 2024-05-08 07:20:44,707 INFO [main.py:798]
{rank 0/64} MD step = 96100 step time: 00:00:00.414155 Performance: 35.253 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 07:20:54,883 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 96100 19220 157.52 8079.7 17264 -9184.1 -9184.1 4.8545 4.8999 2.2548 45760 2024-05-08 07:21:35,673 INFO [main.py:798]
{rank 0/64} MD step = 96200 step time: 00:00:00.398729 Performance: 35.252 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 07:21:42,732 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 96200 19240 159.13 8253.7 17441 -9187.5 -9187.5 4.8572 4.9044 2.2577 45805 2024-05-08 07:22:23,102 INFO [main.py:798]
{rank 0/64} MD step = 96300 step time: 00:00:00.378373 Performance: 35.253 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 07:22:30,341 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 96300 19260 161.02 8409.6 17648 -9238.5 -9238.5 4.8606 4.9076 2.2602 45831 2024-05-08 07:23:08,963 INFO [main.py:798]
{rank 0/64} MD step = 96400 step time: 00:00:00.372781 Performance: 35.255 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 07:23:18,266 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 96400 19280 160.83 8485.6 17627 -9141.6 -9141.6 4.8669 4.9136 2.2636 45909 2024-05-08 07:23:59,225 INFO [main.py:798]
{rank 0/64} MD step = 96500 step time: 00:00:00.390280 Performance: 35.255 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 07:24:05,577 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 96500 19300 160.29 8307.7 17568 -9260 -9260 4.8722 4.9187 2.2652 45943 2024-05-08 07:24:45,781 INFO [main.py:798]
{rank 0/64} MD step = 96600 step time: 00:00:00.380289 Performance: 35.256 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 07:24:51,654 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 96600 19320 159.77 8232.3 17511 -9278.7 -9278.7 4.8779 4.9239 2.2688 45951 2024-05-08 07:25:31,861 INFO [main.py:798]
{rank 0/64} MD step = 96700 step time: 00:00:00.387965 Performance: 35.259 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 07:25:46,234 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 96700 19340 159.33 8360.8 17463 -9102 -9102 4.8833 4.9281 2.2721 46040 2024-05-08 07:26:26,405 INFO [main.py:798]
{rank 0/64} MD step = 96800 step time: 00:00:00.392082 Performance: 35.254 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 07:26:34,765 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 96800 19360 160.93 8476.3 17638 -9161.9 -9161.9 4.8904 4.933 2.273 46086 2024-05-08 07:27:13,715 INFO [main.py:798]
{rank 0/64} MD step = 96900 step time: 00:00:00.425795 Performance: 35.256 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 07:27:21,167 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 96900 19380 159.09 8157.4 17436 -9278.7 -9278.7 4.8936 4.9388 2.2773 46119 2024-05-08 07:28:01,775 INFO [main.py:798]
{rank 0/64} MD step = 97000 step time: 00:00:00.435207 Performance: 35.256 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 07:28:07,634 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97000 19400 160.74 8524.4 17617 -9092.6 -9092.6 4.901 4.9424 2.279 46180 2024-05-08 07:28:47,906 INFO [main.py:798]
{rank 0/64} MD step = 97100 step time: 00:00:00.413188 Performance: 35.259 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 07:28:55,805 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97100 19420 158.42 8073.9 17363 -9289.2 -9289.2 4.9061 4.9482 2.2801 46179 2024-05-08 07:29:36,350 INFO [main.py:798]
{rank 0/64} MD step = 97200 step time: 00:00:00.374415 Performance: 35.259 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 07:29:41,762 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97200 19440 158.81 8213.8 17406 -9192.3 -9192.3 4.9118 4.9517 2.2804 46239 2024-05-08 07:30:22,326 INFO [main.py:798]
{rank 0/64} MD step = 97300 step time: 00:00:00.429777 Performance: 35.261 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 07:30:29,025 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97300 19460 160.73 8450 17617 -9166.5 -9166.5 4.9184 4.9581 2.2825 46295 2024-05-08 07:31:08,376 INFO [main.py:798]
{rank 0/64} MD step = 97400 step time: 00:00:00.398074 Performance: 35.263 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 07:31:23,179 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97400 19480 160.25 8293.2 17564 -9270.4 -9270.4 4.9222 4.9645 2.2843 46318 2024-05-08 07:32:02,722 INFO [main.py:798]
{rank 0/64} MD step = 97500 step time: 00:00:00.441110 Performance: 35.259 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 07:32:08,736 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97500 19500 159.02 8286.7 17429 -9142.2 -9142.2 4.9272 4.9685 2.2841 46348 2024-05-08 07:32:48,481 INFO [main.py:798]
{rank 0/64} MD step = 97600 step time: 00:00:00.421365 Performance: 35.262 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 07:32:56,954 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97600 19520 158.9 8248.8 17415 -9166.6 -9166.6 4.9317 4.9741 2.2868 46404 2024-05-08 07:33:34,310 INFO [main.py:798]
{rank 0/64} MD step = 97700 step time: 00:00:00.361574 Performance: 35.264 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 07:33:48,857 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97700 19540 159.69 8275.5 17502 -9226.2 -9226.2 4.9369 4.9791 2.2898 46452 2024-05-08 07:34:29,271 INFO [main.py:798]
{rank 0/64} MD step = 97800 step time: 00:00:00.413834 Performance: 35.260 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 07:34:35,453 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97800 19560 159.41 8322.6 17472 -9149 -9149 4.9411 4.9834 2.291 46461 2024-05-08 07:35:14,647 INFO [main.py:798]
{rank 0/64} MD step = 97900 step time: 00:00:00.405022 Performance: 35.262 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 07:35:20,691 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 97900 19580 159.93 8291.8 17528 -9236.6 -9236.6 4.9446 4.9881 2.2947 46542 2024-05-08 07:36:00,089 INFO [main.py:798]
{rank 0/64} MD step = 98000 step time: 00:00:00.393981 Performance: 35.265 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 07:36:06,464 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98000 19600 161.26 8459.3 17674 -9214.6 -9214.6 4.9495 4.9908 2.2943 46560 2024-05-08 07:36:45,748 INFO [main.py:798]
{rank 0/64} MD step = 98100 step time: 00:00:00.354651 Performance: 35.267 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 07:37:05,677 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98100 19620 160.15 8328.2 17553 -9224.6 -9224.6 4.9535 4.9967 2.2977 46630 2024-05-08 07:37:45,745 INFO [main.py:798]
{rank 0/64} MD step = 98200 step time: 00:00:00.382965 Performance: 35.259 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 07:37:55,321 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98200 19640 159.25 8407.2 17454 -9046.7 -9046.7 4.9601 5 2.2982 46716 2024-05-08 07:38:35,282 INFO [main.py:798]
{rank 0/64} MD step = 98300 step time: 00:00:00.411288 Performance: 35.259 ns/day 0.681 hours/ns 2.040 steps/s 2024-05-08 07:38:43,054 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98300 19660 159.29 8245.6 17459 -9212.9 -9212.9 4.9651 5.0043 2.3016 46741 2024-05-08 07:39:22,917 INFO [main.py:798]
{rank 0/64} MD step = 98400 step time: 00:00:00.417382 Performance: 35.260 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 07:39:29,825 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98400 19680 159.45 8261.3 17475 -9214.1 -9214.1 4.969 5.0091 2.3037 46796 2024-05-08 07:40:08,694 INFO [main.py:798]
{rank 0/64} MD step = 98500 step time: 00:00:00.387483 Performance: 35.262 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 07:40:15,590 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98500 19700 159.44 8258.2 17475 -9216.9 -9216.9 4.9748 5.0122 2.3063 46823 2024-05-08 07:40:56,306 INFO [main.py:798]
{rank 0/64} MD step = 98600 step time: 00:00:00.406149 Performance: 35.263 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 07:41:02,427 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98600 19720 158.03 8074.2 17320 -9246 -9246 4.9816 5.018 2.3078 46882 2024-05-08 07:41:42,571 INFO [main.py:798]
{rank 0/64} MD step = 98700 step time: 00:00:00.417434 Performance: 35.265 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 07:41:50,452 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98700 19740 160.46 8349.9 17586 -9236.3 -9236.3 4.9886 5.0226 2.311 46958 2024-05-08 07:42:30,742 INFO [main.py:798]
{rank 0/64} MD step = 98800 step time: 00:00:00.401493 Performance: 35.266 ns/day 0.681 hours/ns 2.041 steps/s 2024-05-08 07:42:36,733 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98800 19760 158.98 8282.7 17424 -9141.6 -9141.6 4.9931 5.0262 2.3125 46973 2024-05-08 07:43:16,690 INFO [main.py:798]
{rank 0/64} MD step = 98900 step time: 00:00:00.403723 Performance: 35.268 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-08 07:43:22,409 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 98900 19780 161.4 8376.1 17689 -9313.1 -9313.1 4.9984 5.0311 2.3137 47002 2024-05-08 07:44:03,279 INFO [main.py:798]
{rank 0/64} MD step = 99000 step time: 00:00:00.398899 Performance: 35.270 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-08 07:44:09,736 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99000 19800 158.4 8151.9 17361 -9209.3 -9209.3 5.0015 5.0382 2.3152 47068 2024-05-08 07:44:48,958 INFO [main.py:798]
{rank 0/64} MD step = 99100 step time: 00:00:00.391997 Performance: 35.272 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-08 07:44:56,440 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99100 19820 161.27 8441.5 17675 -9233.7 -9233.7 5.0081 5.0436 2.3193 47106 2024-05-08 07:45:36,506 INFO [main.py:798]
{rank 0/64} MD step = 99200 step time: 00:00:00.388194 Performance: 35.273 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-08 07:45:45,228 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99200 19840 159.43 8287.1 17474 -9187.1 -9187.1 5.0147 5.049 2.3207 47133 2024-05-08 07:46:26,152 INFO [main.py:798]
{rank 0/64} MD step = 99300 step time: 00:00:00.417862 Performance: 35.273 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-08 07:46:33,201 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99300 19860 158.6 8130.1 17383 -9253.1 -9253.1 5.0199 5.0542 2.3215 47172 2024-05-08 07:47:13,686 INFO [main.py:798]
{rank 0/64} MD step = 99400 step time: 00:00:00.419821 Performance: 35.274 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-08 07:47:20,670 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99400 19880 158.42 8276 17363 -9086.6 -9086.6 5.0259 5.0588 2.3229 47247 2024-05-08 07:48:00,613 INFO [main.py:798]
{rank 0/64} MD step = 99500 step time: 00:00:00.400647 Performance: 35.276 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-08 07:48:05,958 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99500 19900 162.18 8641.7 17775 -9133.1 -9133.1 5.0293 5.0638 2.3236 47311 2024-05-08 07:48:47,601 INFO [main.py:798]
{rank 0/64} MD step = 99600 step time: 00:00:00.385802 Performance: 35.277 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-08 07:48:53,774 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99600 19920 159.55 8271.4 17487 -9215.6 -9215.6 5.0329 5.069 2.3262 47330 2024-05-08 07:49:32,541 INFO [main.py:798]
{rank 0/64} MD step = 99700 step time: 00:00:00.376048 Performance: 35.280 ns/day 0.680 hours/ns 2.042 steps/s 2024-05-08 07:49:38,437 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99700 19940 157.49 8016.8 17261 -9244.4 -9244.4 5.0399 5.0752 2.33 47373 2024-05-08 07:50:20,675 INFO [main.py:798]
{rank 0/64} MD step = 99800 step time: 00:00:00.398665 Performance: 35.280 ns/day 0.680 hours/ns 2.042 steps/s 2024-05-08 07:50:26,895 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99800 19960 158.88 8142 17414 -9271.6 -9271.6 5.0431 5.0811 2.332 47406 2024-05-08 07:51:07,933 INFO [main.py:798]
{rank 0/64} MD step = 99900 step time: 00:00:00.395034 Performance: 35.282 ns/day 0.680 hours/ns 2.042 steps/s 2024-05-08 07:51:16,285 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 99900 19980 160.14 8355.7 17552 -9196.1 -9196.1 5.0486 5.0862 2.3349 47473 2024-05-08 07:51:56,974 INFO [main.py:798]
{rank 0/64} MD step = 100000 step time: 00:00:00.389741 Performance: 35.282 ns/day 0.680 hours/ns 2.042 steps/s 2024-05-08 07:52:11,528 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100000 20000 158.23 8173 17342 -9169.2 -9169.2 5.0532 5.0932 2.3367 47548 2024-05-08 07:52:52,571 INFO [main.py:798]
{rank 0/64} MD step = 100100 step time: 00:00:00.363094 Performance: 35.277 ns/day 0.680 hours/ns 2.041 steps/s 2024-05-08 07:52:57,787 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100100 20020 160.88 8364 17633 -9268.6 -9268.6 5.0577 5.0999 2.3367 47552 2024-05-08 07:53:38,635 INFO [main.py:798]
{rank 0/64} MD step = 100200 step time: 00:00:00.421420 Performance: 35.279 ns/day 0.680 hours/ns 2.042 steps/s 2024-05-08 07:53:46,722 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100200 20040 161.33 8464.7 17682 -9216.9 -9216.9 5.0623 5.105 2.3405 47585 2024-05-08 07:54:26,928 INFO [main.py:798]
{rank 0/64} MD step = 100300 step time: 00:00:00.414091 Performance: 35.280 ns/day 0.680 hours/ns 2.042 steps/s 2024-05-08 07:54:32,744 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100300 20060 161.45 8685.6 17695 -9009.2 -9009.2 5.0661 5.1111 2.3434 47669 2024-05-08 07:55:13,646 INFO [main.py:798]
{rank 0/64} MD step = 100400 step time: 00:00:00.377389 Performance: 35.281 ns/day 0.680 hours/ns 2.042 steps/s 2024-05-08 07:55:21,001 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100400 20080 158.9 8246.3 17416 -9169.5 -9169.5 5.0699 5.1149 2.3444 47695 2024-05-08 07:56:00,694 INFO [main.py:798]
{rank 0/64} MD step = 100500 step time: 00:00:00.411343 Performance: 35.283 ns/day 0.680 hours/ns 2.042 steps/s 2024-05-08 07:56:06,557 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100500 20100 160.88 8551.5 17633 -9081.3 -9081.3 5.0749 5.121 2.3481 47770 2024-05-08 07:56:47,164 INFO [main.py:798]
{rank 0/64} MD step = 100600 step time: 00:00:00.396702 Performance: 35.284 ns/day 0.680 hours/ns 2.042 steps/s 2024-05-08 07:56:54,932 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100600 20120 159.01 8084.6 17428 -9343.5 -9343.5 5.0798 5.1242 2.3505 47790 2024-05-08 07:57:34,473 INFO [main.py:798]
{rank 0/64} MD step = 100700 step time: 00:00:00.401124 Performance: 35.286 ns/day 0.680 hours/ns 2.042 steps/s 2024-05-08 07:57:41,976 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100700 20140 158.66 8067.9 17390 -9321.8 -9321.8 5.0838 5.1276 2.3524 47835 2024-05-08 07:58:22,556 INFO [main.py:798]
{rank 0/64} MD step = 100800 step time: 00:00:00.403821 Performance: 35.286 ns/day 0.680 hours/ns 2.042 steps/s 2024-05-08 07:58:28,029 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100800 20160 156.56 7939.4 17159 -9219.3 -9219.3 5.0882 5.1321 2.3562 47872 2024-05-08 07:59:10,582 INFO [main.py:798]
{rank 0/64} MD step = 100900 step time: 00:00:00.401825 Performance: 35.287 ns/day 0.680 hours/ns 2.042 steps/s 2024-05-08 07:59:16,670 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 100900 20180 159.38 8191.2 17468 -9276.7 -9276.7 5.0905 5.1354 2.3583 47923 2024-05-08 07:59:56,816 INFO [main.py:798]
{rank 0/64} MD step = 101000 step time: 00:00:00.462092 Performance: 35.289 ns/day 0.680 hours/ns 2.042 steps/s 2024-05-08 08:00:03,727 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 101000 20200 160.17 8327.7 17555 -9227.2 -9227.2 5.0962 5.1414 2.3621 47947 2024-05-08 08:00:43,964 INFO [main.py:798]
{rank 0/64} MD step = 101100 step time: 00:00:00.410047 Performance: 35.290 ns/day 0.680 hours/ns 2.042 steps/s 2024-05-08 08:00:50,858 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 101100 20220 160.06 8348.9 17543 -9194.3 -9194.3 5.1001 5.1477 2.3642 47997 2024-05-08 08:01:31,489 INFO [main.py:798]
{rank 0/64} MD step = 101200 step time: 00:00:00.436273 Performance: 35.291 ns/day 0.680 hours/ns 2.042 steps/s 2024-05-08 08:01:37,773 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 101200 20240 158.88 8174.3 17413 -9238.6 -9238.6 5.1044 5.1525 2.3674 48039 2024-05-08 08:02:18,290 INFO [main.py:798]
{rank 0/64} MD step = 101300 step time: 00:00:00.410907 Performance: 35.293 ns/day 0.680 hours/ns 2.042 steps/s 2024-05-08 08:02:24,898 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 101300 20260 161.61 8386.6 17713 -9326.2 -9326.2 5.1093 5.1563 2.3701 48058 2024-05-08 08:03:04,966 INFO [main.py:798]
{rank 0/64} MD step = 101400 step time: 00:00:00.426794 Performance: 35.294 ns/day 0.680 hours/ns 2.042 steps/s 2024-05-08 08:03:10,532 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 101400 20280 161.1 8495.4 17656 -9161 -9161 5.1118 5.1621 2.3726 48149 2024-05-08 08:03:49,977 INFO [main.py:798]
{rank 0/64} MD step = 101500 step time: 00:00:00.411663 Performance: 35.297 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-08 08:03:56,408 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 101500 20300 161.3 8315 17678 -9363.4 -9363.4 5.1166 5.1696 2.3729 48210 2024-05-08 08:04:36,554 INFO [main.py:798]
{rank 0/64} MD step = 101600 step time: 00:00:00.416658 Performance: 35.299 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-08 08:04:42,785 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 101600 20320 159.92 8454.7 17528 -9073 -9073 5.1217 5.1743 2.3746 48233 2024-05-08 08:05:23,246 INFO [main.py:798]
{rank 0/64} MD step = 101700 step time: 00:00:00.425590 Performance: 35.300 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-08 08:05:29,700 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 101700 20340 160.84 8365.8 17628 -9262.5 -9262.5 5.1266 5.1784 2.3781 48298 2024-05-08 08:06:10,154 INFO [main.py:798]
{rank 0/64} MD step = 101800 step time: 00:00:00.411065 Performance: 35.302 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-08 08:06:14,959 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 101800 20360 162.18 8615.4 17775 -9160 -9160 5.1324 5.1845 2.382 48310 2024-05-08 08:06:56,800 INFO [main.py:798]
{rank 0/64} MD step = 101900 step time: 00:00:00.437519 Performance: 35.303 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-08 08:07:03,339 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 101900 20380 160.04 8409.3 17541 -9131.3 -9131.3 5.1361 5.1899 2.3841 48339 2024-05-08 08:07:42,921 INFO [main.py:798]
{rank 0/64} MD step = 102000 step time: 00:00:00.398912 Performance: 35.305 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-08 08:08:02,178 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 102000 20400 160.89 8406.2 17633 -9227 -9227 5.1401 5.1954 2.3872 48366 2024-05-08 08:08:42,613 INFO [main.py:798]
{rank 0/64} MD step = 102100 step time: 00:00:00.375507 Performance: 35.298 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-08 08:08:46,697 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 102100 20420 160.13 8455 17551 -9095.5 -9095.5 5.1476 5.1996 2.3897 48456 2024-05-08 08:09:29,904 INFO [main.py:798]
{rank 0/64} MD step = 102200 step time: 00:00:00.391496 Performance: 35.299 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-08 08:09:35,527 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 102200 20440 160.07 8325.6 17544 -9218.4 -9218.4 5.1533 5.2051 2.393 48506 2024-05-08 08:10:14,557 INFO [main.py:798]
{rank 0/64} MD step = 102300 step time: 00:00:00.402313 Performance: 35.302 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-08 08:10:20,847 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 102300 20460 159.1 8247.4 17437 -9189.8 -9189.8 5.1595 5.2095 2.3961 48528 2024-05-08 08:11:01,155 INFO [main.py:798]
{rank 0/64} MD step = 102400 step time: 00:00:00.405515 Performance: 35.304 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-08 08:11:07,060 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 102400 20480 157.96 8112.2 17312 -9200 -9200 5.1662 5.2152 2.3971 48577 2024-05-08 08:11:47,594 INFO [main.py:798]
{rank 0/64} MD step = 102500 step time: 00:00:00.367516 Performance: 35.305 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-08 08:11:57,068 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 102500 20500 164.1 8772 17986 -9213.8 -9213.8 5.1711 5.2184 2.3972 48617 2024-05-08 08:12:37,452 INFO [main.py:798]
{rank 0/64} MD step = 102600 step time: 00:00:00.394729 Performance: 35.305 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-08 08:12:50,880 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 102600 20520 158.68 8186.5 17391 -9204.9 -9204.9 5.1761 5.2247 2.3987 48658 2024-05-08 08:13:30,464 INFO [main.py:798]
{rank 0/64} MD step = 102700 step time: 00:00:00.421403 Performance: 35.302 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-08 08:13:42,115 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 102700 20540 159.89 8378.2 17525 -9146.4 -9146.4 5.1795 5.2279 2.3997 48722 2024-05-08 08:14:22,230 INFO [main.py:798]
{rank 0/64} MD step = 102800 step time: 00:00:00.428325 Performance: 35.300 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-08 08:14:29,852 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 102800 20560 158.08 8113.2 17326 -9212.7 -9212.7 5.1854 5.2345 2.4052 48748 2024-05-08 08:15:09,528 INFO [main.py:798]
{rank 0/64} MD step = 102900 step time: 00:00:00.430095 Performance: 35.301 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-08 08:15:15,582 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 102900 20580 162.98 8724 17863 -9138.9 -9138.9 5.1892 5.2404 2.4073 48822 2024-05-08 08:15:55,870 INFO [main.py:798]
{rank 0/64} MD step = 103000 step time: 00:00:00.384692 Performance: 35.303 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-08 08:16:02,822 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 103000 20600 160.43 8365.8 17583 -9217.2 -9217.2 5.1958 5.2436 2.4096 48856 2024-05-08 08:16:42,498 INFO [main.py:798]
{rank 0/64} MD step = 103100 step time: 00:00:00.386856 Performance: 35.305 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-08 08:16:51,669 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 103100 20620 159.97 8207.1 17533 -9325.9 -9325.9 5.2022 5.2495 2.4135 48909 2024-05-08 08:17:30,966 INFO [main.py:798]
{rank 0/64} MD step = 103200 step time: 00:00:00.442868 Performance: 35.305 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-08 08:17:37,529 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 103200 20640 160.22 8502 17560 -9057.9 -9057.9 5.207 5.2533 2.4171 48975 2024-05-08 08:18:18,120 INFO [main.py:798]
{rank 0/64} MD step = 103300 step time: 00:00:00.423318 Performance: 35.306 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-08 08:18:23,776 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 103300 20660 161.56 8532 17707 -9174.8 -9174.8 5.2116 5.2584 2.4212 49005 2024-05-08 08:19:04,267 INFO [main.py:798]
{rank 0/64} MD step = 103400 step time: 00:00:00.444391 Performance: 35.308 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-08 08:19:10,053 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 103400 20680 158.27 8059.4 17347 -9287.4 -9287.4 5.2184 5.2629 2.424 49035 2024-05-08 08:19:50,800 INFO [main.py:798]
{rank 0/64} MD step = 103500 step time: 00:00:00.458401 Performance: 35.310 ns/day 0.680 hours/ns 2.043 steps/s 2024-05-08 08:19:56,515 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 103500 20700 158.17 8042.5 17335 -9292.9 -9292.9 5.2244 5.2677 2.4269 49087 2024-05-08 08:20:36,929 INFO [main.py:798]
{rank 0/64} MD step = 103600 step time: 00:00:00.424502 Performance: 35.312 ns/day 0.680 hours/ns 2.044 steps/s 2024-05-08 08:20:42,498 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 103600 20720 160.42 8429.3 17583 -9153.3 -9153.3 5.2277 5.2702 2.43 49145 2024-05-08 08:21:22,269 INFO [main.py:798]
{rank 0/64} MD step = 103700 step time: 00:00:00.395995 Performance: 35.314 ns/day 0.680 hours/ns 2.044 steps/s 2024-05-08 08:21:28,199 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 103700 20740 157.94 8113.6 17311 -9197.1 -9197.1 5.2306 5.2763 2.4315 49234 2024-05-08 08:22:08,419 INFO [main.py:798]
{rank 0/64} MD step = 103800 step time: 00:00:00.366895 Performance: 35.316 ns/day 0.680 hours/ns 2.044 steps/s 2024-05-08 08:22:17,818 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 103800 20760 159.53 8335.5 17485 -9149.3 -9149.3 5.236 5.282 2.4345 49262 2024-05-08 08:22:58,746 INFO [main.py:798]
{rank 0/64} MD step = 103900 step time: 00:00:00.396142 Performance: 35.315 ns/day 0.680 hours/ns 2.044 steps/s 2024-05-08 08:23:04,497 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 103900 20780 161.09 8495.4 17655 -9159.9 -9159.9 5.2415 5.2872 2.4371 49310 2024-05-08 08:23:45,139 INFO [main.py:798]
{rank 0/64} MD step = 104000 step time: 00:00:00.386688 Performance: 35.317 ns/day 0.680 hours/ns 2.044 steps/s 2024-05-08 08:23:52,318 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104000 20800 159.68 8268.4 17501 -9232.7 -9232.7 5.2463 5.2918 2.439 49345 2024-05-08 08:24:33,263 INFO [main.py:798]
{rank 0/64} MD step = 104100 step time: 00:00:00.398230 Performance: 35.318 ns/day 0.680 hours/ns 2.044 steps/s 2024-05-08 08:24:39,245 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104100 20820 159.45 8381 17476 -9094.7 -9094.7 5.2513 5.2989 2.4431 49431 2024-05-08 08:25:20,169 INFO [main.py:798]
{rank 0/64} MD step = 104200 step time: 00:00:00.373415 Performance: 35.319 ns/day 0.680 hours/ns 2.044 steps/s 2024-05-08 08:25:26,520 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104200 20840 160.2 8369.6 17558 -9188.8 -9188.8 5.2558 5.3037 2.445 49476 2024-05-08 08:26:05,443 INFO [main.py:798]
{rank 0/64} MD step = 104300 step time: 00:00:00.363649 Performance: 35.321 ns/day 0.679 hours/ns 2.044 steps/s 2024-05-08 08:26:12,424 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104300 20860 161.01 8431.6 17647 -9215.4 -9215.4 5.2617 5.3093 2.4496 49524 2024-05-08 08:26:53,223 INFO [main.py:798]
{rank 0/64} MD step = 104400 step time: 00:00:00.389605 Performance: 35.322 ns/day 0.679 hours/ns 2.044 steps/s 2024-05-08 08:26:58,615 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104400 20880 162.48 8496.6 17808 -9311.4 -9311.4 5.2639 5.3132 2.4507 49559 2024-05-08 08:27:39,499 INFO [main.py:798]
{rank 0/64} MD step = 104500 step time: 00:00:00.361953 Performance: 35.324 ns/day 0.679 hours/ns 2.044 steps/s 2024-05-08 08:27:47,287 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104500 20900 159.82 8325.7 17516 -9190.3 -9190.3 5.2681 5.3182 2.4527 49597 2024-05-08 08:28:27,856 INFO [main.py:798]
{rank 0/64} MD step = 104600 step time: 00:00:00.394101 Performance: 35.324 ns/day 0.679 hours/ns 2.044 steps/s 2024-05-08 08:28:34,913 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104600 20920 157.33 8160.3 17243 -9083.1 -9083.1 5.2739 5.3232 2.4547 49647 2024-05-08 08:29:15,974 INFO [main.py:798]
{rank 0/64} MD step = 104700 step time: 00:00:00.385633 Performance: 35.325 ns/day 0.679 hours/ns 2.044 steps/s 2024-05-08 08:29:25,757 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104700 20940 157.53 8060.8 17266 -9205 -9205 5.2782 5.3278 2.459 49698 2024-05-08 08:30:06,178 INFO [main.py:798]
{rank 0/64} MD step = 104800 step time: 00:00:00.362900 Performance: 35.324 ns/day 0.679 hours/ns 2.044 steps/s 2024-05-08 08:30:11,653 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104800 20960 158.86 8140.5 17411 -9270.7 -9270.7 5.284 5.3342 2.4619 49745 2024-05-08 08:30:52,050 INFO [main.py:798]
{rank 0/64} MD step = 104900 step time: 00:00:00.372752 Performance: 35.326 ns/day 0.679 hours/ns 2.044 steps/s 2024-05-08 08:30:58,645 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 104900 20980 160.99 8470.5 17644 -9173.8 -9173.8 5.2894 5.3404 2.4625 49775 2024-05-08 08:31:39,372 INFO [main.py:798]
{rank 0/64} MD step = 105000 step time: 00:00:00.372237 Performance: 35.327 ns/day 0.679 hours/ns 2.044 steps/s 2024-05-08 08:31:56,891 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 105000 21000 159.53 8327.1 17485 -9157.8 -9157.8 5.2949 5.3454 2.4656 49839 2024-05-08 08:32:36,209 INFO [main.py:798]
{rank 0/64} MD step = 105100 step time: 00:00:00.390027 Performance: 35.322 ns/day 0.679 hours/ns 2.044 steps/s 2024-05-08 08:32:47,386 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 105100 21020 160.19 8391.8 17557 -9164.9 -9164.9 5.3016 5.3509 2.4679 49898 2024-05-08 08:33:27,761 INFO [main.py:798]
{rank 0/64} MD step = 105200 step time: 00:00:00.395088 Performance: 35.320 ns/day 0.679 hours/ns 2.044 steps/s 2024-05-08 08:33:39,291 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 105200 21040 160.57 8403.5 17599 -9195.4 -9195.4 5.3067 5.3537 2.4697 49920 2024-05-08 08:34:19,212 INFO [main.py:798]
{rank 0/64} MD step = 105300 step time: 00:00:00.419957 Performance: 35.318 ns/day 0.680 hours/ns 2.044 steps/s 2024-05-08 08:34:25,815 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 105300 21060 157.58 8022.5 17271 -9248.9 -9248.9 5.3123 5.3581 2.4734 49973 2024-05-08 08:35:05,844 INFO [main.py:798]
{rank 0/64} MD step = 105400 step time: 00:00:00.436032 Performance: 35.320 ns/day 0.680 hours/ns 2.044 steps/s 2024-05-08 08:35:11,765 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 105400 21080 161.45 8550.4 17695 -9144.5 -9144.5 5.3173 5.3658 2.4778 50027 2024-05-08 08:35:50,899 INFO [main.py:798]
{rank 0/64} MD step = 105500 step time: 00:00:00.435310 Performance: 35.323 ns/day 0.679 hours/ns 2.044 steps/s 2024-05-08 08:35:59,016 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 105500 21100 161.47 8458.1 17697 -9239 -9239 5.3217 5.3724 2.4799 50058 2024-05-08 08:36:39,556 INFO [main.py:798]
{rank 0/64} MD step = 105600 step time: 00:00:00.423377 Performance: 35.323 ns/day 0.679 hours/ns 2.044 steps/s 2024-05-08 08:36:46,183 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 105600 21120 162.36 8601.9 17795 -9193 -9193 5.3269 5.3796 2.4812 50115 2024-05-08 08:37:26,796 INFO [main.py:798]
{rank 0/64} MD step = 105700 step time: 00:00:00.408194 Performance: 35.324 ns/day 0.679 hours/ns 2.044 steps/s 2024-05-08 08:37:34,430 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 105700 21140 162.33 8560.4 17791 -9230.8 -9230.8 5.3314 5.3838 2.4819 50181 2024-05-08 08:38:15,027 INFO [main.py:798]
{rank 0/64} MD step = 105800 step time: 00:00:00.400540 Performance: 35.324 ns/day 0.679 hours/ns 2.044 steps/s 2024-05-08 08:38:23,069 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 105800 21160 159.94 8377.8 17530 -9152.2 -9152.2 5.3339 5.3898 2.485 50239 2024-05-08 08:39:01,729 INFO [main.py:798]
{rank 0/64} MD step = 105900 step time: 00:00:00.378380 Performance: 35.326 ns/day 0.679 hours/ns 2.044 steps/s 2024-05-08 08:39:09,556 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 105900 21180 161.38 8582.5 17687 -9104.7 -9104.7 5.3398 5.395 2.4893 50247 2024-05-08 08:39:51,007 INFO [main.py:798]
{rank 0/64} MD step = 106000 step time: 00:00:00.372665 Performance: 35.326 ns/day 0.679 hours/ns 2.044 steps/s 2024-05-08 08:39:57,617 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106000 21200 160.42 8591.8 17582 -8990.6 -8990.6 5.3435 5.3986 2.4928 50329 2024-05-08 08:40:37,667 INFO [main.py:798]
{rank 0/64} MD step = 106100 step time: 00:00:00.416440 Performance: 35.327 ns/day 0.679 hours/ns 2.044 steps/s 2024-05-08 08:40:48,825 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106100 21220 161.49 8514.7 17700 -9185.2 -9185.2 5.3459 5.4029 2.4941 50345 2024-05-08 08:41:28,404 INFO [main.py:798]
{rank 0/64} MD step = 106200 step time: 00:00:00.423719 Performance: 35.326 ns/day 0.679 hours/ns 2.044 steps/s 2024-05-08 08:41:34,893 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106200 21240 158.76 8192.7 17400 -9207.2 -9207.2 5.3509 5.4088 2.4983 50390 2024-05-08 08:42:15,171 INFO [main.py:798]
{rank 0/64} MD step = 106300 step time: 00:00:00.418056 Performance: 35.327 ns/day 0.679 hours/ns 2.044 steps/s 2024-05-08 08:42:21,303 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106300 21260 161.79 8399.2 17732 -9333 -9333 5.356 5.413 2.4997 50433 2024-05-08 08:43:01,949 INFO [main.py:798]
{rank 0/64} MD step = 106400 step time: 00:00:00.427440 Performance: 35.329 ns/day 0.679 hours/ns 2.044 steps/s 2024-05-08 08:43:08,250 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106400 21280 158.09 8151.2 17326 -9175.2 -9175.2 5.3608 5.418 2.5001 50495 2024-05-08 08:43:48,238 INFO [main.py:798]
{rank 0/64} MD step = 106500 step time: 00:00:00.434861 Performance: 35.331 ns/day 0.679 hours/ns 2.045 steps/s 2024-05-08 08:43:55,205 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106500 21300 161.49 8467.3 17699 -9232.2 -9232.2 5.3662 5.4231 2.5031 50549 2024-05-08 08:44:34,715 INFO [main.py:798]
{rank 0/64} MD step = 106600 step time: 00:00:00.399893 Performance: 35.332 ns/day 0.679 hours/ns 2.045 steps/s 2024-05-08 08:44:40,417 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106600 21320 156.98 8003.6 17205 -9201.7 -9201.7 5.3715 5.4291 2.5055 50586 2024-05-08 08:45:22,303 INFO [main.py:798]
{rank 0/64} MD step = 106700 step time: 00:00:00.384444 Performance: 35.333 ns/day 0.679 hours/ns 2.045 steps/s 2024-05-08 08:45:28,990 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106700 21340 160.84 8433.2 17628 -9195.1 -9195.1 5.3758 5.4346 2.508 50639 2024-05-08 08:46:09,365 INFO [main.py:798]
{rank 0/64} MD step = 106800 step time: 00:00:00.422308 Performance: 35.334 ns/day 0.679 hours/ns 2.045 steps/s 2024-05-08 08:46:16,263 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106800 21360 161 8369.2 17646 -9276.4 -9276.4 5.3804 5.4407 2.51 50689 2024-05-08 08:46:55,292 INFO [main.py:798]
{rank 0/64} MD step = 106900 step time: 00:00:00.411480 Performance: 35.336 ns/day 0.679 hours/ns 2.045 steps/s 2024-05-08 08:47:02,783 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 106900 21380 161.87 8639.3 17741 -9101.7 -9101.7 5.3852 5.4476 2.5133 50734 2024-05-08 08:47:43,227 INFO [main.py:798]
{rank 0/64} MD step = 107000 step time: 00:00:00.395372 Performance: 35.337 ns/day 0.679 hours/ns 2.045 steps/s 2024-05-08 08:47:49,940 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 107000 21400 162.06 8668.7 17762 -9093.7 -9093.7 5.3903 5.4538 2.5161 50773 2024-05-08 08:48:29,629 INFO [main.py:798]
{rank 0/64} MD step = 107100 step time: 00:00:00.409521 Performance: 35.339 ns/day 0.679 hours/ns 2.045 steps/s 2024-05-08 08:48:35,469 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 107100 21420 158.72 8129.5 17396 -9266.5 -9266.5 5.3938 5.4599 2.5182 50822 2024-05-08 08:49:15,409 INFO [main.py:798]
{rank 0/64} MD step = 107200 step time: 00:00:00.435124 Performance: 35.341 ns/day 0.679 hours/ns 2.045 steps/s 2024-05-08 08:49:21,883 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 107200 21440 160.65 8397.7 17608 -9210 -9210 5.4003 5.4648 2.5218 50873 2024-05-08 08:50:02,126 INFO [main.py:798]
{rank 0/64} MD step = 107300 step time: 00:00:00.372831 Performance: 35.342 ns/day 0.679 hours/ns 2.045 steps/s 2024-05-08 08:50:07,798 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 107300 21460 160.28 8290.2 17567 -9276.7 -9276.7 5.4056 5.4709 2.5243 50883 2024-05-08 08:50:46,866 INFO [main.py:798]
{rank 0/64} MD step = 107400 step time: 00:00:00.419406 Performance: 35.345 ns/day 0.679 hours/ns 2.045 steps/s 2024-05-08 08:50:52,724 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 107400 21480 157.9 8092.5 17306 -9213.7 -9213.7 5.4109 5.4751 2.5262 50950 2024-05-08 08:51:33,614 INFO [main.py:798]
{rank 0/64} MD step = 107500 step time: 00:00:00.433946 Performance: 35.347 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 08:51:38,379 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 107500 21500 161.19 8409.9 17667 -9256.6 -9256.6 5.4171 5.48 2.5297 51014 2024-05-08 08:52:18,690 INFO [main.py:798]
{rank 0/64} MD step = 107600 step time: 00:00:00.412064 Performance: 35.349 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 08:52:25,307 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 107600 21520 159.95 8351.4 17530 -9178.9 -9178.9 5.4227 5.4824 2.5323 51050 2024-05-08 08:53:05,092 INFO [main.py:798]
{rank 0/64} MD step = 107700 step time: 00:00:00.410764 Performance: 35.351 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 08:53:15,099 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 107700 21540 158.31 8138.3 17351 -9212.4 -9212.4 5.4286 5.4871 2.5365 51115 2024-05-08 08:53:55,360 INFO [main.py:798]
{rank 0/64} MD step = 107800 step time: 00:00:00.423861 Performance: 35.350 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 08:54:01,929 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 107800 21560 157.9 8055.9 17307 -9250.6 -9250.6 5.434 5.4944 2.5392 51153 2024-05-08 08:54:42,240 INFO [main.py:798]
{rank 0/64} MD step = 107900 step time: 00:00:00.425727 Performance: 35.351 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 08:54:48,489 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 107900 21580 163.05 8679.2 17870 -9191 -9191 5.4397 5.4999 2.5421 51189 2024-05-08 08:55:28,488 INFO [main.py:798]
{rank 0/64} MD step = 108000 step time: 00:00:00.409654 Performance: 35.353 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 08:55:35,638 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 108000 21600 159.64 8236.4 17497 -9260.4 -9260.4 5.4469 5.5048 2.5451 51216 2024-05-08 08:56:16,485 INFO [main.py:798]
{rank 0/64} MD step = 108100 step time: 00:00:00.430679 Performance: 35.354 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 08:56:22,838 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 108100 21620 160.48 8502.5 17589 -9086.3 -9086.3 5.4509 5.5106 2.5465 51240 2024-05-08 08:57:04,564 INFO [main.py:798]
{rank 0/64} MD step = 108200 step time: 00:00:00.393229 Performance: 35.354 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 08:57:14,835 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 108200 21640 159.71 8221.7 17504 -9282.4 -9282.4 5.4561 5.5146 2.5497 51288 2024-05-08 08:57:55,055 INFO [main.py:798]
{rank 0/64} MD step = 108300 step time: 00:00:00.380268 Performance: 35.353 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 08:58:01,232 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 108300 21660 162.36 8592.4 17795 -9203 -9203 5.4602 5.5187 2.5545 51350 2024-05-08 08:58:40,983 INFO [main.py:798]
{rank 0/64} MD step = 108400 step time: 00:00:00.400669 Performance: 35.355 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 08:58:50,419 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 108400 21680 159.65 8348.9 17498 -9149.3 -9149.3 5.465 5.5246 2.5553 51379 2024-05-08 08:59:30,765 INFO [main.py:798]
{rank 0/64} MD step = 108500 step time: 00:00:00.395979 Performance: 35.354 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 08:59:37,661 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 108500 21700 161.98 8602.4 17754 -9151.2 -9151.2 5.4704 5.53 2.5586 51415 2024-05-08 09:00:18,350 INFO [main.py:798]
{rank 0/64} MD step = 108600 step time: 00:00:00.403076 Performance: 35.355 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 09:00:24,146 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 108600 21720 160.88 8438.8 17633 -9193.9 -9193.9 5.4741 5.5349 2.56 51448 2024-05-08 09:01:06,304 INFO [main.py:798]
{rank 0/64} MD step = 108700 step time: 00:00:00.428726 Performance: 35.356 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 09:01:16,080 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 108700 21740 161.35 8516.4 17685 -9168.2 -9168.2 5.4814 5.5403 2.5622 51486 2024-05-08 09:01:56,243 INFO [main.py:798]
{rank 0/64} MD step = 108800 step time: 00:00:00.406086 Performance: 35.355 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 09:02:03,041 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 108800 21760 161.23 8452.9 17671 -9218 -9218 5.4864 5.5442 2.5638 51530 2024-05-08 09:02:43,509 INFO [main.py:798]
{rank 0/64} MD step = 108900 step time: 00:00:00.415898 Performance: 35.356 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 09:02:54,326 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 108900 21780 158.7 8269.2 17393 -9124 -9124 5.4926 5.5485 2.5652 51618 2024-05-08 09:03:33,590 INFO [main.py:798]
{rank 0/64} MD step = 109000 step time: 00:00:00.394130 Performance: 35.355 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 09:03:39,490 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 109000 21800 158.09 8159.2 17326 -9167.3 -9167.3 5.4969 5.5538 2.5659 51616 2024-05-08 09:04:18,972 INFO [main.py:798]
{rank 0/64} MD step = 109100 step time: 00:00:00.389424 Performance: 35.358 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 09:04:25,517 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 109100 21820 161.64 8514.3 17716 -9201.5 -9201.5 5.5006 5.5585 2.5684 51652 2024-05-08 09:05:06,154 INFO [main.py:798]
{rank 0/64} MD step = 109200 step time: 00:00:00.408304 Performance: 35.359 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 09:05:17,010 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 109200 21840 159.61 8327.3 17493 -9165.9 -9165.9 5.5084 5.5643 2.572 51677 2024-05-08 09:05:56,954 INFO [main.py:798]
{rank 0/64} MD step = 109300 step time: 00:00:00.420562 Performance: 35.358 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 09:06:03,182 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 109300 21860 158.37 8192.5 17358 -9165.4 -9165.4 5.5118 5.5696 2.574 51755 2024-05-08 09:06:43,945 INFO [main.py:798]
{rank 0/64} MD step = 109400 step time: 00:00:00.429634 Performance: 35.359 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 09:06:49,942 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 109400 21880 160.88 8473.2 17633 -9159.7 -9159.7 5.517 5.5772 2.5765 51785 2024-05-08 09:07:29,799 INFO [main.py:798]
{rank 0/64} MD step = 109500 step time: 00:00:00.424214 Performance: 35.361 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 09:07:37,412 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 109500 21900 161.33 8421 17682 -9261.5 -9261.5 5.5209 5.5815 2.5792 51826 2024-05-08 09:08:18,046 INFO [main.py:798]
{rank 0/64} MD step = 109600 step time: 00:00:00.383384 Performance: 35.361 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 09:08:42,487 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 109600 21920 159.26 8209.7 17455 -9245.7 -9245.7 5.5272 5.5869 2.5818 51866 2024-05-08 09:09:22,892 INFO [main.py:798]
{rank 0/64} MD step = 109700 step time: 00:00:00.392211 Performance: 35.351 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 09:09:32,127 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 109700 21940 159.51 8286.4 17483 -9196.4 -9196.4 5.5304 5.5903 2.5856 51920 2024-05-08 09:10:13,575 INFO [main.py:798]
{rank 0/64} MD step = 109800 step time: 00:00:00.393637 Performance: 35.350 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 09:10:19,667 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 109800 21960 160.92 8445.1 17637 -9192.3 -9192.3 5.5362 5.5955 2.5889 51982 2024-05-08 09:11:00,360 INFO [main.py:798]
{rank 0/64} MD step = 109900 step time: 00:00:00.368989 Performance: 35.351 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 09:11:06,819 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 109900 21980 159.87 8431.3 17522 -9090.5 -9090.5 5.5414 5.6014 2.5907 52024 2024-05-08 09:11:47,144 INFO [main.py:798]
{rank 0/64} MD step = 110000 step time: 00:00:00.402516 Performance: 35.352 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 09:11:52,835 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110000 22000 161.34 8585.1 17683 -9098.2 -9098.2 5.5475 5.6057 2.593 52078 2024-05-08 09:12:33,557 INFO [main.py:798]
{rank 0/64} MD step = 110100 step time: 00:00:00.405208 Performance: 35.354 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 09:12:39,902 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110100 22020 158.53 8220.8 17375 -9154.7 -9154.7 5.5529 5.6119 2.5958 52129 2024-05-08 09:13:20,183 INFO [main.py:798]
{rank 0/64} MD step = 110200 step time: 00:00:00.401505 Performance: 35.355 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 09:13:25,280 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110200 22040 159.17 8203.2 17445 -9242 -9242 5.5574 5.6162 2.5985 52152 2024-05-08 09:14:05,292 INFO [main.py:798]
{rank 0/64} MD step = 110300 step time: 00:00:00.382093 Performance: 35.358 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 09:14:10,755 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110300 22060 158.27 8207.8 17346 -9138.7 -9138.7 5.5622 5.6199 2.6021 52202 2024-05-08 09:14:52,145 INFO [main.py:798]
{rank 0/64} MD step = 110400 step time: 00:00:00.369593 Performance: 35.359 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 09:15:00,858 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110400 22080 158.65 8132.6 17388 -9255.8 -9255.8 5.5652 5.625 2.6049 52232 2024-05-08 09:15:41,866 INFO [main.py:798]
{rank 0/64} MD step = 110500 step time: 00:00:00.388233 Performance: 35.359 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 09:15:48,766 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110500 22100 160.88 8463.9 17632 -9168.3 -9168.3 5.5699 5.6303 2.6075 52290 2024-05-08 09:16:29,699 INFO [main.py:798]
{rank 0/64} MD step = 110600 step time: 00:00:00.380589 Performance: 35.359 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 09:16:39,107 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110600 22120 159.68 8194.6 17502 -9306.9 -9306.9 5.5727 5.6364 2.611 52340 2024-05-08 09:17:18,793 INFO [main.py:798]
{rank 0/64} MD step = 110700 step time: 00:00:00.384989 Performance: 35.359 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 09:17:24,825 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110700 22140 160.54 8368 17595 -9227.3 -9227.3 5.5776 5.6414 2.6136 52383 2024-05-08 09:18:04,823 INFO [main.py:798]
{rank 0/64} MD step = 110800 step time: 00:00:00.380830 Performance: 35.361 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 09:18:11,619 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110800 22160 158.37 8280.5 17358 -9077.2 -9077.2 5.5826 5.6488 2.6161 52441 2024-05-08 09:18:51,888 INFO [main.py:798]
{rank 0/64} MD step = 110900 step time: 00:00:00.384746 Performance: 35.362 ns/day 0.679 hours/ns 2.046 steps/s 2024-05-08 09:18:57,972 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 110900 22180 160.26 8438 17565 -9126.8 -9126.8 5.5867 5.6552 2.6169 52476 2024-05-08 09:19:38,412 INFO [main.py:798]
{rank 0/64} MD step = 111000 step time: 00:00:00.390156 Performance: 35.364 ns/day 0.679 hours/ns 2.047 steps/s 2024-05-08 09:19:44,849 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 111000 22200 157.98 8098.7 17315 -9216.5 -9216.5 5.593 5.6611 2.6193 52513 2024-05-08 09:20:25,176 INFO [main.py:798]
{rank 0/64} MD step = 111100 step time: 00:00:00.384761 Performance: 35.365 ns/day 0.679 hours/ns 2.047 steps/s 2024-05-08 09:20:30,882 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 111100 22220 161.11 8465.6 17658 -9192.6 -9192.6 5.599 5.6664 2.6205 52593 2024-05-08 09:21:12,423 INFO [main.py:798]
{rank 0/64} MD step = 111200 step time: 00:00:00.399681 Performance: 35.366 ns/day 0.679 hours/ns 2.047 steps/s 2024-05-08 09:21:19,000 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 111200 22240 157.43 8054.7 17254 -9199.8 -9199.8 5.6042 5.6703 2.6241 52643 2024-05-08 09:21:58,754 INFO [main.py:798]
{rank 0/64} MD step = 111300 step time: 00:00:00.394949 Performance: 35.368 ns/day 0.679 hours/ns 2.047 steps/s 2024-05-08 09:22:05,861 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 111300 22260 160.38 8412.9 17578 -9165.4 -9165.4 5.6094 5.677 2.6242 52668 2024-05-08 09:22:46,228 INFO [main.py:798]
{rank 0/64} MD step = 111400 step time: 00:00:00.357427 Performance: 35.369 ns/day 0.679 hours/ns 2.047 steps/s 2024-05-08 09:22:52,737 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 111400 22280 161.01 8389.1 17647 -9257.9 -9257.9 5.6157 5.6832 2.6281 52696 2024-05-08 09:23:33,516 INFO [main.py:798]
{rank 0/64} MD step = 111500 step time: 00:00:00.368341 Performance: 35.370 ns/day 0.679 hours/ns 2.047 steps/s 2024-05-08 09:23:54,528 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 111500 22300 160.48 8351.9 17589 -9237 -9237 5.6214 5.6876 2.631 52768 2024-05-08 09:24:30,466 INFO [main.py:798]
{rank 0/64} MD step = 111600 step time: 00:00:00.361475 Performance: 35.364 ns/day 0.679 hours/ns 2.047 steps/s 2024-05-08 09:24:35,770 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 111600 22320 161.17 8473.8 17664 -9190.4 -9190.4 5.6267 5.6935 2.6342 52774 2024-05-08 09:25:15,132 INFO [main.py:798]
{rank 0/64} MD step = 111700 step time: 00:00:00.401133 Performance: 35.367 ns/day 0.679 hours/ns 2.047 steps/s 2024-05-08 09:25:21,678 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 111700 22340 158.62 8214.5 17385 -9170.2 -9170.2 5.6323 5.6971 2.6357 52831 2024-05-08 09:26:00,589 INFO [main.py:798]
{rank 0/64} MD step = 111800 step time: 00:00:00.358644 Performance: 35.369 ns/day 0.679 hours/ns 2.047 steps/s 2024-05-08 09:26:08,363 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 111800 22360 161.17 8390.5 17665 -9274.2 -9274.2 5.6371 5.701 2.6378 52849 2024-05-08 09:26:46,892 INFO [main.py:798]
{rank 0/64} MD step = 111900 step time: 00:00:00.417163 Performance: 35.371 ns/day 0.679 hours/ns 2.047 steps/s 2024-05-08 09:26:52,233 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 111900 22380 157.71 8015.7 17285 -9269.1 -9269.1 5.6427 5.7071 2.6404 52882 2024-05-08 09:27:29,286 INFO [main.py:798]
{rank 0/64} MD step = 112000 step time: 00:00:00.352253 Performance: 35.375 ns/day 0.678 hours/ns 2.047 steps/s 2024-05-08 09:27:35,831 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 112000 22400 158.42 8298.9 17363 -9064.2 -9064.2 5.6477 5.7128 2.6441 52963 2024-05-08 09:28:12,784 INFO [main.py:798]
{rank 0/64} MD step = 112100 step time: 00:00:00.361755 Performance: 35.379 ns/day 0.678 hours/ns 2.047 steps/s 2024-05-08 09:28:19,942 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 112100 22420 158.59 8228.7 17381 -9152.6 -9152.6 5.6527 5.7172 2.6444 53022 2024-05-08 09:28:57,207 INFO [main.py:798]
{rank 0/64} MD step = 112200 step time: 00:00:00.370315 Performance: 35.381 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 09:29:05,628 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 112200 22440 159.74 8364.1 17507 -9143.2 -9143.2 5.6585 5.7237 2.647 53061 2024-05-08 09:29:41,979 INFO [main.py:798]
{rank 0/64} MD step = 112300 step time: 00:00:00.408333 Performance: 35.384 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 09:29:48,332 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 112300 22460 161.02 8531.6 17648 -9116.6 -9116.6 5.6639 5.7297 2.6483 53105 2024-05-08 09:30:26,456 INFO [main.py:798]
{rank 0/64} MD step = 112400 step time: 00:00:00.361027 Performance: 35.387 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 09:30:35,043 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 112400 22480 159.28 8266.1 17457 -9191.3 -9191.3 5.6673 5.7337 2.6492 53127 2024-05-08 09:31:12,619 INFO [main.py:798]
{rank 0/64} MD step = 112500 step time: 00:00:00.390703 Performance: 35.389 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 09:31:23,870 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 112500 22500 160.45 8559.1 17586 -9026.7 -9026.7 5.6728 5.7399 2.6541 53194 2024-05-08 09:32:01,567 INFO [main.py:798]
{rank 0/64} MD step = 112600 step time: 00:00:00.348946 Performance: 35.389 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 09:32:09,980 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 112600 22520 160.06 8306 17543 -9236.5 -9236.5 5.6785 5.7456 2.6585 53210 2024-05-08 09:32:47,165 INFO [main.py:798]
{rank 0/64} MD step = 112700 step time: 00:00:00.392419 Performance: 35.391 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 09:32:53,574 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 112700 22540 158.96 8264.6 17422 -9157.7 -9157.7 5.6848 5.7497 2.6603 53245 2024-05-08 09:33:31,523 INFO [main.py:798]
{rank 0/64} MD step = 112800 step time: 00:00:00.384654 Performance: 35.394 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 09:33:40,498 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 112800 22560 160.17 8311.3 17554 -9243.2 -9243.2 5.6898 5.7536 2.6629 53314 2024-05-08 09:34:19,222 INFO [main.py:798]
{rank 0/64} MD step = 112900 step time: 00:00:00.412132 Performance: 35.394 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 09:34:27,892 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 112900 22580 159.34 8346.7 17463 -9116.7 -9116.7 5.6918 5.759 2.6642 53361 2024-05-08 09:35:04,024 INFO [main.py:798]
{rank 0/64} MD step = 113000 step time: 00:00:00.391600 Performance: 35.397 ns/day 0.678 hours/ns 2.048 steps/s 2024-05-08 09:35:10,229 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 113000 22600 159.56 8318.1 17488 -9169.7 -9169.7 5.6961 5.7634 2.6663 53411 2024-05-08 09:35:49,225 INFO [main.py:798]
{rank 0/64} MD step = 113100 step time: 00:00:00.382949 Performance: 35.399 ns/day 0.678 hours/ns 2.049 steps/s 2024-05-08 09:35:56,508 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 113100 22620 159.36 8275.9 17466 -9190 -9190 5.6991 5.7693 2.6683 53449 2024-05-08 09:36:35,540 INFO [main.py:798]
{rank 0/64} MD step = 113200 step time: 00:00:00.397848 Performance: 35.401 ns/day 0.678 hours/ns 2.049 steps/s 2024-05-08 09:36:42,681 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 113200 22640 159.03 8248.7 17429 -9180.8 -9180.8 5.7052 5.775 2.6711 53497 2024-05-08 09:37:19,630 INFO [main.py:798]
{rank 0/64} MD step = 113300 step time: 00:00:00.416747 Performance: 35.404 ns/day 0.678 hours/ns 2.049 steps/s 2024-05-08 09:37:24,708 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 113300 22660 160.57 8519.9 17599 -9079.1 -9079.1 5.71 5.78 2.6719 53512 2024-05-08 09:38:05,764 INFO [main.py:798]
{rank 0/64} MD step = 113400 step time: 00:00:00.389055 Performance: 35.405 ns/day 0.678 hours/ns 2.049 steps/s 2024-05-08 09:38:11,812 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 113400 22680 159.45 8322.1 17476 -9154.3 -9154.3 5.7141 5.7851 2.6735 53538 2024-05-08 09:38:50,962 INFO [main.py:798]
{rank 0/64} MD step = 113500 step time: 00:00:00.399699 Performance: 35.408 ns/day 0.678 hours/ns 2.049 steps/s 2024-05-08 09:38:57,223 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 113500 22700 160.16 8307.3 17554 -9246.8 -9246.8 5.7194 5.7916 2.6755 53610 2024-05-08 09:39:36,373 INFO [main.py:798]
{rank 0/64} MD step = 113600 step time: 00:00:00.389470 Performance: 35.410 ns/day 0.678 hours/ns 2.049 steps/s 2024-05-08 09:39:42,535 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 113600 22720 160.4 8313.8 17580 -9266.4 -9266.4 5.7252 5.7941 2.6799 53644 2024-05-08 09:40:17,887 INFO [main.py:798]
{rank 0/64} MD step = 113700 step time: 00:00:00.366291 Performance: 35.415 ns/day 0.678 hours/ns 2.049 steps/s 2024-05-08 09:40:30,864 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 113700 22740 162.69 8495.3 17831 -9336.2 -9336.2 5.7294 5.7979 2.6822 53695 2024-05-08 09:41:10,298 INFO [main.py:798]
{rank 0/64} MD step = 113800 step time: 00:00:00.426009 Performance: 35.412 ns/day 0.678 hours/ns 2.049 steps/s 2024-05-08 09:41:18,886 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 113800 22760 159.38 8230.3 17469 -9238.3 -9238.3 5.7362 5.8007 2.6848 53766 2024-05-08 09:41:54,513 INFO [main.py:798]
{rank 0/64} MD step = 113900 step time: 00:00:00.365345 Performance: 35.415 ns/day 0.678 hours/ns 2.049 steps/s 2024-05-08 09:42:00,188 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 113900 22780 156.83 8005.6 17189 -9183.3 -9183.3 5.7425 5.8057 2.6878 53776 2024-05-08 09:42:37,285 INFO [main.py:798]
{rank 0/64} MD step = 114000 step time: 00:00:00.404833 Performance: 35.419 ns/day 0.678 hours/ns 2.050 steps/s 2024-05-08 09:42:44,172 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 114000 22800 160.47 8513.8 17588 -9073.8 -9073.8 5.745 5.811 2.6907 53862 2024-05-08 09:43:21,441 INFO [main.py:798]
{rank 0/64} MD step = 114100 step time: 00:00:00.372878 Performance: 35.422 ns/day 0.678 hours/ns 2.050 steps/s 2024-05-08 09:43:27,780 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 114100 22820 159.07 8231 17435 -9203.6 -9203.6 5.7498 5.8156 2.6922 53884 2024-05-08 09:44:04,990 INFO [main.py:798]
{rank 0/64} MD step = 114200 step time: 00:00:00.401273 Performance: 35.425 ns/day 0.677 hours/ns 2.050 steps/s 2024-05-08 09:44:12,251 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 114200 22840 159.57 8152.3 17489 -9336.8 -9336.8 5.7564 5.8204 2.6932 53942 2024-05-08 09:44:49,336 INFO [main.py:798]
{rank 0/64} MD step = 114300 step time: 00:00:00.349848 Performance: 35.428 ns/day 0.677 hours/ns 2.050 steps/s 2024-05-08 09:44:55,986 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 114300 22860 158.2 8130 17339 -9208.8 -9208.8 5.762 5.8275 2.6967 53985 2024-05-08 09:45:33,093 INFO [main.py:798]
{rank 0/64} MD step = 114400 step time: 00:00:00.396499 Performance: 35.431 ns/day 0.677 hours/ns 2.050 steps/s 2024-05-08 09:45:39,030 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 114400 22880 159.36 8383.9 17466 -9082 -9082 5.7679 5.8322 2.6994 54050 2024-05-08 09:46:16,650 INFO [main.py:798]
{rank 0/64} MD step = 114500 step time: 00:00:00.368679 Performance: 35.435 ns/day 0.677 hours/ns 2.051 steps/s 2024-05-08 09:46:22,768 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 114500 22900 161.15 8492.6 17662 -9169.2 -9169.2 5.7721 5.8371 2.702 54075 2024-05-08 09:46:58,525 INFO [main.py:798]
{rank 0/64} MD step = 114600 step time: 00:00:00.371565 Performance: 35.439 ns/day 0.677 hours/ns 2.051 steps/s 2024-05-08 09:47:04,716 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 114600 22920 160.82 8475.4 17626 -9150.9 -9150.9 5.7759 5.8432 2.7043 54146 2024-05-08 09:47:44,864 INFO [main.py:798]
{rank 0/64} MD step = 114700 step time: 00:00:00.401942 Performance: 35.441 ns/day 0.677 hours/ns 2.051 steps/s 2024-05-08 09:47:51,930 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 114700 22940 160.39 8290.6 17579 -9288.9 -9288.9 5.7816 5.8488 2.7078 54147 2024-05-08 09:48:28,115 INFO [main.py:798]
{rank 0/64} MD step = 114800 step time: 00:00:00.382641 Performance: 35.444 ns/day 0.677 hours/ns 2.051 steps/s 2024-05-08 09:48:35,390 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 114800 22960 158.22 8085.7 17341 -9255.3 -9255.3 5.7865 5.8537 2.7106 54203 2024-05-08 09:49:14,542 INFO [main.py:798]
{rank 0/64} MD step = 114900 step time: 00:00:00.383145 Performance: 35.445 ns/day 0.677 hours/ns 2.051 steps/s 2024-05-08 09:49:20,726 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 114900 22980 157.35 7797.1 17246 -9449 -9449 5.7919 5.8601 2.7144 54233 2024-05-08 09:49:56,586 INFO [main.py:798]
{rank 0/64} MD step = 115000 step time: 00:00:00.371069 Performance: 35.450 ns/day 0.677 hours/ns 2.051 steps/s 2024-05-08 09:50:06,003 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 115000 23000 158.74 8201.3 17398 -9196.6 -9196.6 5.799 5.866 2.716 54299 2024-05-08 09:50:42,579 INFO [main.py:798]
{rank 0/64} MD step = 115100 step time: 00:00:00.347071 Performance: 35.451 ns/day 0.677 hours/ns 2.052 steps/s 2024-05-08 09:50:50,936 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 115100 23020 160.37 8329.2 17577 -9247.7 -9247.7 5.8042 5.8709 2.7187 54325 2024-05-08 09:51:29,053 INFO [main.py:798]
{rank 0/64} MD step = 115200 step time: 00:00:00.360496 Performance: 35.453 ns/day 0.677 hours/ns 2.052 steps/s 2024-05-08 09:51:35,308 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 115200 23040 160.51 8504.8 17592 -9087.6 -9087.6 5.8095 5.8754 2.7207 54400 2024-05-08 09:52:12,715 INFO [main.py:798]
{rank 0/64} MD step = 115300 step time: 00:00:00.352810 Performance: 35.456 ns/day 0.677 hours/ns 2.052 steps/s 2024-05-08 09:52:21,574 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 115300 23060 160.65 8472.3 17607 -9134.7 -9134.7 5.8139 5.8797 2.7227 54408 2024-05-08 09:52:57,768 INFO [main.py:798]
{rank 0/64} MD step = 115400 step time: 00:00:00.347176 Performance: 35.458 ns/day 0.677 hours/ns 2.052 steps/s 2024-05-08 09:53:04,015 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 115400 23080 160.93 8361 17638 -9276.9 -9276.9 5.818 5.8851 2.7252 54482 2024-05-08 09:53:40,993 INFO [main.py:798]
{rank 0/64} MD step = 115500 step time: 00:00:00.380067 Performance: 35.462 ns/day 0.677 hours/ns 2.052 steps/s 2024-05-08 09:53:50,673 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 115500 23100 159.87 8296.9 17522 -9225 -9225 5.824 5.8908 2.7287 54506 2024-05-08 09:54:28,133 INFO [main.py:798]
{rank 0/64} MD step = 115600 step time: 00:00:00.336649 Performance: 35.463 ns/day 0.677 hours/ns 2.052 steps/s 2024-05-08 09:54:33,802 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 115600 23120 160.88 8410.6 17632 -9221.6 -9221.6 5.8307 5.8962 2.7332 54557 2024-05-08 09:55:10,025 INFO [main.py:798]
{rank 0/64} MD step = 115700 step time: 00:00:00.352311 Performance: 35.467 ns/day 0.677 hours/ns 2.052 steps/s 2024-05-08 09:55:18,432 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 115700 23140 160.73 8432.1 17616 -9183.8 -9183.8 5.8358 5.8997 2.7366 54599 2024-05-08 09:55:54,465 INFO [main.py:798]
{rank 0/64} MD step = 115800 step time: 00:00:00.357561 Performance: 35.470 ns/day 0.677 hours/ns 2.053 steps/s 2024-05-08 09:56:02,845 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 115800 23160 159.96 8248.1 17531 -9283.2 -9283.2 5.841 5.9049 2.7386 54657 2024-05-08 09:56:39,380 INFO [main.py:798]
{rank 0/64} MD step = 115900 step time: 00:00:00.348886 Performance: 35.472 ns/day 0.677 hours/ns 2.053 steps/s 2024-05-08 09:56:44,523 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 115900 23180 158.39 8096.9 17359 -9262.5 -9262.5 5.8464 5.91 2.7405 54683 2024-05-08 09:57:22,223 INFO [main.py:798]
{rank 0/64} MD step = 116000 step time: 00:00:00.409396 Performance: 35.476 ns/day 0.677 hours/ns 2.053 steps/s 2024-05-08 09:57:28,710 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 116000 23200 158.35 8127.4 17355 -9227.9 -9227.9 5.85 5.9163 2.7408 54724 2024-05-08 09:58:06,870 INFO [main.py:798]
{rank 0/64} MD step = 116100 step time: 00:00:00.367487 Performance: 35.479 ns/day 0.676 hours/ns 2.053 steps/s 2024-05-08 09:58:13,629 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 116100 23220 159.9 8355.4 17525 -9170 -9170 5.8556 5.9217 2.7436 54784 2024-05-08 09:58:51,337 INFO [main.py:798]
{rank 0/64} MD step = 116200 step time: 00:00:00.368471 Performance: 35.481 ns/day 0.676 hours/ns 2.053 steps/s 2024-05-08 09:58:57,060 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 116200 23240 160.88 8371.2 17632 -9261.3 -9261.3 5.8631 5.9271 2.747 54813 2024-05-08 09:59:32,848 INFO [main.py:798]
{rank 0/64} MD step = 116300 step time: 00:00:00.372189 Performance: 35.486 ns/day 0.676 hours/ns 2.054 steps/s 2024-05-08 09:59:39,974 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 116300 23260 158.39 8117 17360 -9242.9 -9242.9 5.8693 5.9316 2.7495 54856 2024-05-08 10:00:18,766 INFO [main.py:798]
{rank 0/64} MD step = 116400 step time: 00:00:00.360055 Performance: 35.487 ns/day 0.676 hours/ns 2.054 steps/s 2024-05-08 10:00:25,926 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 116400 23280 161.4 8480.6 17690 -9209.1 -9209.1 5.8745 5.9373 2.7521 54953 2024-05-08 10:01:03,135 INFO [main.py:798]
{rank 0/64} MD step = 116500 step time: 00:00:00.358514 Performance: 35.490 ns/day 0.676 hours/ns 2.054 steps/s 2024-05-08 10:01:10,062 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 116500 23300 162.06 8506.1 17762 -9255.9 -9255.9 5.8782 5.9414 2.7553 54991 2024-05-08 10:01:48,519 INFO [main.py:798]
{rank 0/64} MD step = 116600 step time: 00:00:00.372215 Performance: 35.492 ns/day 0.676 hours/ns 2.054 steps/s 2024-05-08 10:01:54,782 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 116600 23320 162.12 8502.9 17768 -9265.5 -9265.5 5.8853 5.9479 2.7577 55039 2024-05-08 10:02:32,737 INFO [main.py:798]
{rank 0/64} MD step = 116700 step time: 00:00:00.339560 Performance: 35.495 ns/day 0.676 hours/ns 2.054 steps/s 2024-05-08 10:02:39,413 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 116700 23340 159.82 8261.1 17517 -9255.7 -9255.7 5.8907 5.9548 2.7586 55100 2024-05-08 10:03:16,252 INFO [main.py:798]
{rank 0/64} MD step = 116800 step time: 00:00:00.374709 Performance: 35.498 ns/day 0.676 hours/ns 2.054 steps/s 2024-05-08 10:03:24,487 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 116800 23360 160.91 8372.7 17636 -9263 -9263 5.8966 5.9606 2.7597 55119 2024-05-08 10:04:01,478 INFO [main.py:798]
{rank 0/64} MD step = 116900 step time: 00:00:00.370721 Performance: 35.500 ns/day 0.676 hours/ns 2.054 steps/s 2024-05-08 10:04:08,504 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 116900 23380 158.1 8132.6 17328 -9195 -9195 5.9013 5.9652 2.7629 55163 2024-05-08 10:04:44,420 INFO [main.py:798]
{rank 0/64} MD step = 117000 step time: 00:00:00.358215 Performance: 35.504 ns/day 0.676 hours/ns 2.055 steps/s 2024-05-08 10:04:53,204 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 117000 23400 160.53 8348.4 17595 -9246.1 -9246.1 5.9059 5.9713 2.7679 55200 2024-05-08 10:05:28,952 INFO [main.py:798]
{rank 0/64} MD step = 117100 step time: 00:00:00.369351 Performance: 35.507 ns/day 0.676 hours/ns 2.055 steps/s 2024-05-08 10:05:35,450 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 117100 23420 159.08 8155.9 17435 -9279.6 -9279.6 5.9107 5.9735 2.7692 55259 2024-05-08 10:06:14,643 INFO [main.py:798]
{rank 0/64} MD step = 117200 step time: 00:00:00.397808 Performance: 35.508 ns/day 0.676 hours/ns 2.055 steps/s 2024-05-08 10:06:27,184 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 117200 23440 160.72 8341.4 17615 -9273.9 -9273.9 5.9163 5.9757 2.771 55306 2024-05-08 10:07:05,679 INFO [main.py:798]
{rank 0/64} MD step = 117300 step time: 00:00:00.356920 Performance: 35.507 ns/day 0.676 hours/ns 2.055 steps/s 2024-05-08 10:07:12,832 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 117300 23460 161.3 8469.2 17679 -9209.8 -9209.8 5.9209 5.9805 2.7732 55332 2024-05-08 10:07:49,425 INFO [main.py:798]
{rank 0/64} MD step = 117400 step time: 00:00:00.351858 Performance: 35.510 ns/day 0.676 hours/ns 2.055 steps/s 2024-05-08 10:07:56,034 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 117400 23480 158.03 8175.4 17321 -9145.2 -9145.2 5.9273 5.9846 2.7751 55401 2024-05-08 10:08:33,204 INFO [main.py:798]
{rank 0/64} MD step = 117500 step time: 00:00:00.362973 Performance: 35.513 ns/day 0.676 hours/ns 2.055 steps/s 2024-05-08 10:08:41,250 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 117500 23500 157.97 8110 17313 -9203.3 -9203.3 5.9317 5.99 2.7761 55461 2024-05-08 10:09:18,996 INFO [main.py:798]
{rank 0/64} MD step = 117600 step time: 00:00:00.366523 Performance: 35.515 ns/day 0.676 hours/ns 2.055 steps/s 2024-05-08 10:09:32,159 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 117600 23520 158.75 8146.8 17399 -9252.6 -9252.6 5.9377 5.9948 2.7803 55473 2024-05-08 10:10:11,760 INFO [main.py:798]
{rank 0/64} MD step = 117700 step time: 00:00:00.342238 Performance: 35.512 ns/day 0.676 hours/ns 2.055 steps/s 2024-05-08 10:10:18,294 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 117700 23540 158.43 8103.9 17364 -9260.1 -9260.1 5.9446 5.9994 2.7802 55573 2024-05-08 10:10:55,014 INFO [main.py:798]
{rank 0/64} MD step = 117800 step time: 00:00:00.350001 Performance: 35.516 ns/day 0.676 hours/ns 2.055 steps/s 2024-05-08 10:11:00,507 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 117800 23560 161.33 8565.8 17682 -9116 -9116 5.9495 6.0035 2.7831 55635 2024-05-08 10:11:37,916 INFO [main.py:798]
{rank 0/64} MD step = 117900 step time: 00:00:00.382695 Performance: 35.519 ns/day 0.676 hours/ns 2.056 steps/s 2024-05-08 10:11:43,679 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 117900 23580 161.63 8487.6 17715 -9227.6 -9227.6 5.9541 6.008 2.7852 55646 2024-05-08 10:12:20,432 INFO [main.py:798]
{rank 0/64} MD step = 118000 step time: 00:00:00.365530 Performance: 35.523 ns/day 0.676 hours/ns 2.056 steps/s 2024-05-08 10:12:26,598 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 118000 23600 159.64 8316.2 17497 -9180.5 -9180.5 5.9582 6.0143 2.7864 55690 2024-05-08 10:13:03,234 INFO [main.py:798]
{rank 0/64} MD step = 118100 step time: 00:00:00.382411 Performance: 35.527 ns/day 0.676 hours/ns 2.056 steps/s 2024-05-08 10:13:09,383 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 118100 23620 160.64 8372.3 17607 -9234.6 -9234.6 5.9627 6.0193 2.788 55729 2024-05-08 10:13:46,723 INFO [main.py:798]
{rank 0/64} MD step = 118200 step time: 00:00:00.416829 Performance: 35.530 ns/day 0.675 hours/ns 2.056 steps/s 2024-05-08 10:13:57,446 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 118200 23640 159.8 8361.5 17514 -9152.5 -9152.5 5.9678 6.024 2.7917 55771 2024-05-08 10:14:34,524 INFO [main.py:798]
{rank 0/64} MD step = 118300 step time: 00:00:00.380331 Performance: 35.530 ns/day 0.675 hours/ns 2.056 steps/s 2024-05-08 10:14:40,954 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 118300 23660 159.86 8248.8 17521 -9272.1 -9272.1 5.9746 6.0296 2.7949 55831 2024-05-08 10:15:16,576 INFO [main.py:798]
{rank 0/64} MD step = 118400 step time: 00:00:00.374337 Performance: 35.534 ns/day 0.675 hours/ns 2.056 steps/s 2024-05-08 10:15:23,724 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 118400 23680 160.05 8339.6 17541 -9201.6 -9201.6 5.9793 6.0352 2.7982 55890 2024-05-08 10:16:02,504 INFO [main.py:798]
{rank 0/64} MD step = 118500 step time: 00:00:00.370742 Performance: 35.536 ns/day 0.675 hours/ns 2.056 steps/s 2024-05-08 10:16:08,800 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 118500 23700 160.17 8399.1 17555 -9156 -9156 5.9847 6.0387 2.8013 55899 2024-05-08 10:16:45,512 INFO [main.py:798]
{rank 0/64} MD step = 118600 step time: 00:00:00.353147 Performance: 35.539 ns/day 0.675 hours/ns 2.057 steps/s 2024-05-08 10:16:51,516 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 118600 23720 161.1 8431.8 17656 -9224.4 -9224.4 5.991 6.043 2.805 55968 2024-05-08 10:17:27,508 INFO [main.py:798]
{rank 0/64} MD step = 118700 step time: 00:00:00.403875 Performance: 35.543 ns/day 0.675 hours/ns 2.057 steps/s 2024-05-08 10:17:33,162 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 118700 23740 158.05 8128.4 17322 -9193.8 -9193.8 5.9973 6.0481 2.8085 56030 2024-05-08 10:18:11,052 INFO [main.py:798]
{rank 0/64} MD step = 118800 step time: 00:00:00.364072 Performance: 35.547 ns/day 0.675 hours/ns 2.057 steps/s 2024-05-08 10:18:17,221 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 118800 23760 159.66 8179.8 17499 -9319.2 -9319.2 6.0018 6.0515 2.8098 56085 2024-05-08 10:18:52,564 INFO [main.py:798]
{rank 0/64} MD step = 118900 step time: 00:00:00.363640 Performance: 35.551 ns/day 0.675 hours/ns 2.057 steps/s 2024-05-08 10:18:59,093 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 118900 23780 160.94 8388.3 17639 -9251.1 -9251.1 6.007 6.0563 2.8096 56153 2024-05-08 10:19:34,380 INFO [main.py:798]
{rank 0/64} MD step = 119000 step time: 00:00:00.357651 Performance: 35.555 ns/day 0.675 hours/ns 2.058 steps/s 2024-05-08 10:19:40,701 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 119000 23800 159.04 8231.3 17431 -9199.6 -9199.6 6.0131 6.0616 2.8125 56174 2024-05-08 10:20:20,114 INFO [main.py:798]
{rank 0/64} MD step = 119100 step time: 00:00:00.447182 Performance: 35.557 ns/day 0.675 hours/ns 2.058 steps/s 2024-05-08 10:20:26,557 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 119100 23820 159.17 8345.1 17445 -9100 -9100 6.0168 6.0689 2.8147 56240 2024-05-08 10:21:02,391 INFO [main.py:798]
{rank 0/64} MD step = 119200 step time: 00:00:00.351625 Performance: 35.561 ns/day 0.675 hours/ns 2.058 steps/s 2024-05-08 10:21:07,575 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 119200 23840 159.89 8334.8 17524 -9189.3 -9189.3 6.0217 6.0721 2.8173 56276 2024-05-08 10:21:44,147 INFO [main.py:798]
{rank 0/64} MD step = 119300 step time: 00:00:00.354335 Performance: 35.565 ns/day 0.675 hours/ns 2.058 steps/s 2024-05-08 10:21:49,693 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 119300 23860 159.85 8329.1 17520 -9191.2 -9191.2 6.0256 6.0799 2.8184 56330 2024-05-08 10:22:27,197 INFO [main.py:798]
{rank 0/64} MD step = 119400 step time: 00:00:00.379261 Performance: 35.568 ns/day 0.675 hours/ns 2.058 steps/s 2024-05-08 10:22:34,641 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 119400 23880 160.83 8396.4 17627 -9230.8 -9230.8 6.032 6.0836 2.8222 56338 2024-05-08 10:23:11,427 INFO [main.py:798]
{rank 0/64} MD step = 119500 step time: 00:00:00.378030 Performance: 35.571 ns/day 0.675 hours/ns 2.059 steps/s 2024-05-08 10:23:17,095 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 119500 23900 160.57 8253.6 17599 -9345.4 -9345.4 6.0354 6.089 2.8256 56396 2024-05-08 10:23:54,067 INFO [main.py:798]
{rank 0/64} MD step = 119600 step time: 00:00:00.386168 Performance: 35.575 ns/day 0.675 hours/ns 2.059 steps/s 2024-05-08 10:23:59,805 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 119600 23920 159.67 8320.3 17500 -9180.1 -9180.1 6.0419 6.0929 2.8294 56446 2024-05-08 10:24:37,165 INFO [main.py:798]
{rank 0/64} MD step = 119700 step time: 00:00:00.378294 Performance: 35.578 ns/day 0.675 hours/ns 2.059 steps/s 2024-05-08 10:24:43,729 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 119700 23940 162.65 8615.9 17826 -9210.3 -9210.3 6.047 6.0986 2.8298 56508 2024-05-08 10:25:21,751 INFO [main.py:798]
{rank 0/64} MD step = 119800 step time: 00:00:00.360498 Performance: 35.580 ns/day 0.675 hours/ns 2.059 steps/s 2024-05-08 10:25:29,193 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 119800 23960 160.35 8389.9 17575 -9184.7 -9184.7 6.0522 6.1054 2.8317 56558 2024-05-08 10:26:05,197 INFO [main.py:798]
{rank 0/64} MD step = 119900 step time: 00:00:00.342377 Performance: 35.584 ns/day 0.674 hours/ns 2.059 steps/s 2024-05-08 10:26:12,004 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 119900 23980 159.25 8122.4 17454 -9331.2 -9331.2 6.057 6.1079 2.834 56587 2024-05-08 10:26:55,258 INFO [main.py:798]
{rank 0/64} MD step = 120000 step time: 00:00:00.924169 Performance: 35.583 ns/day 0.674 hours/ns 2.059 steps/s 2024-05-08 10:27:02,717 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120000 24000 159.95 8341.9 17531 -9189.4 -9189.4 6.0613 6.1128 2.8368 56660 2024-05-08 10:27:39,989 INFO [main.py:798]
{rank 0/64} MD step = 120100 step time: 00:00:00.359002 Performance: 35.585 ns/day 0.674 hours/ns 2.059 steps/s 2024-05-08 10:27:47,506 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120100 24020 163.34 8721.3 17903 -9181.3 -9181.3 6.0646 6.1163 2.8374 56686 2024-05-08 10:28:23,834 INFO [main.py:798]
{rank 0/64} MD step = 120200 step time: 00:00:00.385237 Performance: 35.588 ns/day 0.674 hours/ns 2.059 steps/s 2024-05-08 10:28:32,587 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120200 24040 159.75 8334.3 17509 -9174.6 -9174.6 6.069 6.1207 2.8402 56729 2024-05-08 10:29:09,606 INFO [main.py:798]
{rank 0/64} MD step = 120300 step time: 00:00:00.347729 Performance: 35.590 ns/day 0.674 hours/ns 2.060 steps/s 2024-05-08 10:29:14,481 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120300 24060 158.14 8121.2 17332 -9211 -9211 6.0717 6.1268 2.8418 56795 2024-05-08 10:29:51,389 INFO [main.py:798]
{rank 0/64} MD step = 120400 step time: 00:00:00.361189 Performance: 35.594 ns/day 0.674 hours/ns 2.060 steps/s 2024-05-08 10:29:58,210 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120400 24080 158.99 8247.8 17426 -9178.1 -9178.1 6.0779 6.1314 2.8427 56837 2024-05-08 10:30:34,247 INFO [main.py:798]
{rank 0/64} MD step = 120500 step time: 00:00:00.377951 Performance: 35.597 ns/day 0.674 hours/ns 2.060 steps/s 2024-05-08 10:30:43,313 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120500 24100 162.45 8610.9 17805 -9194.1 -9194.1 6.0833 6.1375 2.8454 56877 2024-05-08 10:31:21,012 INFO [main.py:798]
{rank 0/64} MD step = 120600 step time: 00:00:00.370744 Performance: 35.598 ns/day 0.674 hours/ns 2.060 steps/s 2024-05-08 10:31:27,578 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120600 24120 159.74 8359.5 17508 -9148.6 -9148.6 6.0905 6.142 2.8486 56933 2024-05-08 10:32:03,433 INFO [main.py:798]
{rank 0/64} MD step = 120700 step time: 00:00:00.373460 Performance: 35.602 ns/day 0.674 hours/ns 2.060 steps/s 2024-05-08 10:32:10,086 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120700 24140 159 8159.1 17427 -9267.4 -9267.4 6.0963 6.1486 2.8503 56964 2024-05-08 10:32:47,296 INFO [main.py:798]
{rank 0/64} MD step = 120800 step time: 00:00:00.378714 Performance: 35.605 ns/day 0.674 hours/ns 2.060 steps/s 2024-05-08 10:32:54,626 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120800 24160 160.69 8305.1 17611 -9306.2 -9306.2 6.1018 6.153 2.8534 57020 2024-05-08 10:33:31,134 INFO [main.py:798]
{rank 0/64} MD step = 120900 step time: 00:00:00.358352 Performance: 35.608 ns/day 0.674 hours/ns 2.061 steps/s 2024-05-08 10:33:38,919 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 120900 24180 158.95 8222.6 17421 -9198.7 -9198.7 6.1037 6.1566 2.8575 57052 2024-05-08 10:34:17,927 INFO [main.py:798]
{rank 0/64} MD step = 121000 step time: 00:00:00.379085 Performance: 35.609 ns/day 0.674 hours/ns 2.061 steps/s 2024-05-08 10:34:22,609 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 121000 24200 160.71 8351.8 17614 -9262.5 -9262.5 6.1105 6.1607 2.8605 57112 2024-05-08 10:35:00,841 INFO [main.py:798]
{rank 0/64} MD step = 121100 step time: 00:00:00.374323 Performance: 35.612 ns/day 0.674 hours/ns 2.061 steps/s 2024-05-08 10:35:06,971 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 121100 24220 160.09 8376.2 17546 -9169.5 -9169.5 6.1165 6.1677 2.8626 57179 2024-05-08 10:35:43,487 INFO [main.py:798]
{rank 0/64} MD step = 121200 step time: 00:00:00.412212 Performance: 35.616 ns/day 0.674 hours/ns 2.061 steps/s 2024-05-08 10:35:49,636 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 121200 24240 160.8 8394.2 17624 -9230 -9230 6.1234 6.1731 2.8653 57206 2024-05-08 10:36:26,736 INFO [main.py:798]
{rank 0/64} MD step = 121300 step time: 00:00:00.358754 Performance: 35.619 ns/day 0.674 hours/ns 2.061 steps/s 2024-05-08 10:36:37,107 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 121300 24260 158.26 8197.2 17345 -9148.1 -9148.1 6.1281 6.1781 2.8664 57254 2024-05-08 10:37:14,234 INFO [main.py:798]
{rank 0/64} MD step = 121400 step time: 00:00:00.359855 Performance: 35.619 ns/day 0.674 hours/ns 2.061 steps/s 2024-05-08 10:37:21,330 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 121400 24280 163.51 8658.4 17921 -9262.8 -9262.8 6.133 6.1831 2.8688 57309 2024-05-08 10:37:59,539 INFO [main.py:798]
{rank 0/64} MD step = 121500 step time: 00:00:00.376981 Performance: 35.621 ns/day 0.674 hours/ns 2.061 steps/s 2024-05-08 10:38:06,729 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 121500 24300 159.14 8214.6 17442 -9227.1 -9227.1 6.1382 6.1879 2.8698 57332 2024-05-08 10:38:44,126 INFO [main.py:798]
{rank 0/64} MD step = 121600 step time: 00:00:00.334800 Performance: 35.624 ns/day 0.674 hours/ns 2.062 steps/s 2024-05-08 10:38:52,002 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 121600 24320 159.99 8298 17536 -9237.6 -9237.6 6.143 6.1925 2.8735 57394 2024-05-08 10:39:44,665 INFO [main.py:798]
{rank 0/64} MD step = 121700 step time: 00:00:00.377688 Performance: 35.617 ns/day 0.674 hours/ns 2.061 steps/s 2024-05-08 10:39:52,546 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 121700 24340 159.2 8185.8 17449 -9263.1 -9263.1 6.1478 6.1974 2.8757 57436 2024-05-08 10:40:29,840 INFO [main.py:798]
{rank 0/64} MD step = 121800 step time: 00:00:00.377302 Performance: 35.619 ns/day 0.674 hours/ns 2.061 steps/s 2024-05-08 10:40:37,334 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 121800 24360 157.8 8160.2 17295 -9134.5 -9134.5 6.1524 6.2018 2.8782 57466 2024-05-08 10:41:15,241 INFO [main.py:798]
{rank 0/64} MD step = 121900 step time: 00:00:00.389833 Performance: 35.620 ns/day 0.674 hours/ns 2.061 steps/s 2024-05-08 10:41:21,408 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 121900 24380 157.61 8022.6 17275 -9252 -9252 6.1567 6.2047 2.8805 57487 2024-05-08 10:41:58,579 INFO [main.py:798]
{rank 0/64} MD step = 122000 step time: 00:00:00.397099 Performance: 35.624 ns/day 0.674 hours/ns 2.062 steps/s 2024-05-08 10:42:05,217 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 122000 24400 161.75 8547.1 17728 -9181.2 -9181.2 6.1632 6.2091 2.8832 57559 2024-05-08 10:42:42,776 INFO [main.py:798]
{rank 0/64} MD step = 122100 step time: 00:00:00.398607 Performance: 35.626 ns/day 0.674 hours/ns 2.062 steps/s 2024-05-08 10:42:49,630 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 122100 24420 160.58 8451 17600 -9148.8 -9148.8 6.1675 6.214 2.8861 57607 2024-05-08 10:43:27,390 INFO [main.py:798]
{rank 0/64} MD step = 122200 step time: 00:00:00.353658 Performance: 35.628 ns/day 0.674 hours/ns 2.062 steps/s 2024-05-08 10:43:33,092 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 122200 24440 159.09 8159.6 17436 -9276.4 -9276.4 6.1752 6.2201 2.8879 57668 2024-05-08 10:44:11,805 INFO [main.py:798]
{rank 0/64} MD step = 122300 step time: 00:00:00.376905 Performance: 35.631 ns/day 0.674 hours/ns 2.062 steps/s 2024-05-08 10:44:20,675 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 122300 24460 161.83 8562.5 17737 -9174.4 -9174.4 6.18 6.2256 2.8904 57711 2024-05-08 10:44:58,778 INFO [main.py:798]
{rank 0/64} MD step = 122400 step time: 00:00:00.368690 Performance: 35.632 ns/day 0.674 hours/ns 2.062 steps/s 2024-05-08 10:45:04,513 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 122400 24480 160.73 8395.9 17617 -9220.7 -9220.7 6.1853 6.2299 2.896 57769 2024-05-08 10:45:44,022 INFO [main.py:798]
{rank 0/64} MD step = 122500 step time: 00:00:00.372620 Performance: 35.634 ns/day 0.674 hours/ns 2.062 steps/s 2024-05-08 10:45:50,014 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 122500 24500 159.82 8193.4 17517 -9323.4 -9323.4 6.1905 6.2344 2.8977 57765 2024-05-08 10:46:29,379 INFO [main.py:798]
{rank 0/64} MD step = 122600 step time: 00:00:00.396590 Performance: 35.636 ns/day 0.673 hours/ns 2.062 steps/s 2024-05-08 10:46:37,276 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 122600 24520 158.36 8152.8 17357 -9204.1 -9204.1 6.197 6.2386 2.9016 57827 2024-05-08 10:47:15,691 INFO [main.py:798]
{rank 0/64} MD step = 122700 step time: 00:00:00.399793 Performance: 35.637 ns/day 0.673 hours/ns 2.062 steps/s 2024-05-08 10:47:22,379 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 122700 24540 158.09 8193 17327 -9134 -9134 6.2001 6.2432 2.902 57868 2024-05-08 10:48:01,244 INFO [main.py:798]
{rank 0/64} MD step = 122800 step time: 00:00:00.408862 Performance: 35.639 ns/day 0.673 hours/ns 2.062 steps/s 2024-05-08 10:48:06,666 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 122800 24560 159.82 8401 17516 -9115.2 -9115.2 6.2062 6.2484 2.904 57925 2024-05-08 10:48:45,239 INFO [main.py:798]
{rank 0/64} MD step = 122900 step time: 00:00:00.386198 Performance: 35.641 ns/day 0.673 hours/ns 2.063 steps/s 2024-05-08 10:48:51,539 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 122900 24580 161.39 8386.9 17689 -9301.7 -9301.7 6.2111 6.2543 2.906 57927 2024-05-08 10:49:30,370 INFO [main.py:798]
{rank 0/64} MD step = 123000 step time: 00:00:00.385105 Performance: 35.643 ns/day 0.673 hours/ns 2.063 steps/s 2024-05-08 10:49:37,580 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123000 24600 162.42 8519.9 17802 -9281.7 -9281.7 6.2152 6.2583 2.9093 57948 2024-05-08 10:50:17,219 INFO [main.py:798]
{rank 0/64} MD step = 123100 step time: 00:00:00.401504 Performance: 35.644 ns/day 0.673 hours/ns 2.063 steps/s 2024-05-08 10:50:26,137 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123100 24620 160.3 8378.2 17569 -9190.5 -9190.5 6.2215 6.2635 2.9103 58009 2024-05-08 10:51:04,490 INFO [main.py:798]
{rank 0/64} MD step = 123200 step time: 00:00:00.390929 Performance: 35.645 ns/day 0.673 hours/ns 2.063 steps/s 2024-05-08 10:51:10,550 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123200 24640 159.5 8217.9 17481 -9263.4 -9263.4 6.2265 6.2691 2.913 58025 2024-05-08 10:51:49,237 INFO [main.py:798]
{rank 0/64} MD step = 123300 step time: 00:00:00.388087 Performance: 35.647 ns/day 0.673 hours/ns 2.063 steps/s 2024-05-08 10:51:55,817 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123300 24660 159.09 8152.6 17436 -9283.4 -9283.4 6.2331 6.2733 2.915 58070 2024-05-08 10:52:34,277 INFO [main.py:798]
{rank 0/64} MD step = 123400 step time: 00:00:00.355869 Performance: 35.649 ns/day 0.673 hours/ns 2.063 steps/s 2024-05-08 10:52:40,551 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123400 24680 159.21 8237.5 17450 -9212.1 -9212.1 6.2382 6.2773 2.9162 58148 2024-05-08 10:53:18,181 INFO [main.py:798]
{rank 0/64} MD step = 123500 step time: 00:00:00.373825 Performance: 35.652 ns/day 0.673 hours/ns 2.063 steps/s 2024-05-08 10:53:23,533 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123500 24700 160.28 8281.4 17567 -9285.1 -9285.1 6.2437 6.2818 2.9212 58195 2024-05-08 10:54:01,620 INFO [main.py:798]
{rank 0/64} MD step = 123600 step time: 00:00:00.385960 Performance: 35.655 ns/day 0.673 hours/ns 2.063 steps/s 2024-05-08 10:54:07,327 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123600 24720 162.65 8510.9 17827 -9315.9 -9315.9 6.2499 6.288 2.9224 58228 2024-05-08 10:54:46,518 INFO [main.py:798]
{rank 0/64} MD step = 123700 step time: 00:00:00.392628 Performance: 35.657 ns/day 0.673 hours/ns 2.063 steps/s 2024-05-08 10:54:52,939 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123700 24740 161.95 8672.7 17750 -9077.4 -9077.4 6.2559 6.2943 2.9256 58293 2024-05-08 10:55:30,723 INFO [main.py:798]
{rank 0/64} MD step = 123800 step time: 00:00:00.377729 Performance: 35.660 ns/day 0.673 hours/ns 2.064 steps/s 2024-05-08 10:55:37,022 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123800 24760 160.44 8380 17584 -9204.2 -9204.2 6.2608 6.3007 2.9284 58315 2024-05-08 10:56:15,589 INFO [main.py:798]
{rank 0/64} MD step = 123900 step time: 00:00:00.388167 Performance: 35.662 ns/day 0.673 hours/ns 2.064 steps/s 2024-05-08 10:56:20,879 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 123900 24780 160.94 8452.8 17639 -9186.5 -9186.5 6.2667 6.3059 2.9312 58406 2024-05-08 10:56:59,174 INFO [main.py:798]
{rank 0/64} MD step = 124000 step time: 00:00:00.364903 Performance: 35.665 ns/day 0.673 hours/ns 2.064 steps/s 2024-05-08 10:57:05,083 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124000 24800 158.08 8174.6 17325 -9150.7 -9150.7 6.2719 6.3095 2.9322 58431 2024-05-08 10:57:45,736 INFO [main.py:798]
{rank 0/64} MD step = 124100 step time: 00:00:00.359323 Performance: 35.666 ns/day 0.673 hours/ns 2.064 steps/s 2024-05-08 10:57:52,113 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124100 24820 159.19 8295.8 17447 -9151.4 -9151.4 6.2766 6.3163 2.9356 58494 2024-05-08 10:58:31,774 INFO [main.py:798]
{rank 0/64} MD step = 124200 step time: 00:00:00.369840 Performance: 35.667 ns/day 0.673 hours/ns 2.064 steps/s 2024-05-08 10:58:38,790 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124200 24840 160.28 8345.9 17567 -9221.2 -9221.2 6.2802 6.3215 2.937 58531 2024-05-08 10:59:16,801 INFO [main.py:798]
{rank 0/64} MD step = 124300 step time: 00:00:00.386595 Performance: 35.669 ns/day 0.673 hours/ns 2.064 steps/s 2024-05-08 10:59:23,284 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124300 24860 159.01 8263.8 17427 -9163.6 -9163.6 6.288 6.3271 2.9396 58582 2024-05-08 11:00:02,174 INFO [main.py:798]
{rank 0/64} MD step = 124400 step time: 00:00:00.409796 Performance: 35.671 ns/day 0.673 hours/ns 2.064 steps/s 2024-05-08 11:00:08,198 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124400 24880 159.58 8244.6 17490 -9245.2 -9245.2 6.2922 6.3313 2.9413 58584 2024-05-08 11:00:47,976 INFO [main.py:798]
{rank 0/64} MD step = 124500 step time: 00:00:00.408878 Performance: 35.673 ns/day 0.673 hours/ns 2.064 steps/s 2024-05-08 11:00:54,282 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124500 24900 159.8 8203.8 17514 -9310.5 -9310.5 6.296 6.3356 2.9466 58614 2024-05-08 11:01:33,814 INFO [main.py:798]
{rank 0/64} MD step = 124600 step time: 00:00:00.427277 Performance: 35.674 ns/day 0.673 hours/ns 2.064 steps/s 2024-05-08 11:01:40,119 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124600 24920 160.02 8364.8 17538 -9173.1 -9173.1 6.301 6.3416 2.9502 58687 2024-05-08 11:02:19,199 INFO [main.py:798]
{rank 0/64} MD step = 124700 step time: 00:00:00.408216 Performance: 35.676 ns/day 0.673 hours/ns 2.065 steps/s 2024-05-08 11:02:25,370 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124700 24940 160.94 8591.7 17639 -9047.7 -9047.7 6.3083 6.3481 2.9514 58756 2024-05-08 11:03:05,214 INFO [main.py:798]
{rank 0/64} MD step = 124800 step time: 00:00:00.415426 Performance: 35.678 ns/day 0.673 hours/ns 2.065 steps/s 2024-05-08 11:03:10,895 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124800 24960 162.32 8630.1 17791 -9160.8 -9160.8 6.3147 6.3532 2.9529 58777 2024-05-08 11:03:50,533 INFO [main.py:798]
{rank 0/64} MD step = 124900 step time: 00:00:00.380112 Performance: 35.679 ns/day 0.673 hours/ns 2.065 steps/s 2024-05-08 11:03:57,610 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 124900 24980 159.99 8252.9 17535 -9282.4 -9282.4 6.3193 6.3583 2.9557 58818 2024-05-08 11:04:36,423 INFO [main.py:798]
{rank 0/64} MD step = 125000 step time: 00:00:00.396199 Performance: 35.681 ns/day 0.673 hours/ns 2.065 steps/s 2024-05-08 11:04:43,169 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 125000 25000 159.69 8347.1 17502 -9155.1 -9155.1 6.326 6.3648 2.9597 58852 2024-05-08 11:05:21,954 INFO [main.py:798]
{rank 0/64} MD step = 125100 step time: 00:00:00.397674 Performance: 35.683 ns/day 0.673 hours/ns 2.065 steps/s 2024-05-08 11:05:37,839 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 125100 25020 155.87 7851.3 17083 -9231.9 -9231.9 6.33 6.3712 2.9641 58911 2024-05-08 11:06:17,565 INFO [main.py:798]
{rank 0/64} MD step = 125200 step time: 00:00:00.403257 Performance: 35.678 ns/day 0.673 hours/ns 2.065 steps/s 2024-05-08 11:06:27,111 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 125200 25040 159.91 8451.1 17527 -9075.4 -9075.4 6.3348 6.3768 2.9658 58980 2024-05-08 11:07:06,905 INFO [main.py:798]
{rank 0/64} MD step = 125300 step time: 00:00:00.435231 Performance: 35.678 ns/day 0.673 hours/ns 2.065 steps/s 2024-05-08 11:07:14,148 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 125300 25060 158.18 8070 17336 -9266.3 -9266.3 6.3374 6.3812 2.9694 59003 2024-05-08 11:07:54,095 INFO [main.py:798]
{rank 0/64} MD step = 125400 step time: 00:00:00.416251 Performance: 35.679 ns/day 0.673 hours/ns 2.065 steps/s 2024-05-08 11:08:00,336 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 125400 25080 157.26 8083.7 17236 -9152.7 -9152.7 6.3425 6.3863 2.9712 59051 2024-05-08 11:08:39,092 INFO [main.py:798]
{rank 0/64} MD step = 125500 step time: 00:00:00.418544 Performance: 35.681 ns/day 0.673 hours/ns 2.065 steps/s 2024-05-08 11:08:45,711 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 125500 25100 160.7 8382.6 17613 -9230.7 -9230.7 6.3473 6.3918 2.9739 59116 2024-05-08 11:09:23,765 INFO [main.py:798]
{rank 0/64} MD step = 125600 step time: 00:00:00.388046 Performance: 35.683 ns/day 0.673 hours/ns 2.065 steps/s 2024-05-08 11:09:28,923 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 125600 25120 156.41 7919 17143 -9223.9 -9223.9 6.3519 6.3977 2.975 59156 2024-05-08 11:10:08,975 INFO [main.py:798]
{rank 0/64} MD step = 125700 step time: 00:00:00.375851 Performance: 35.685 ns/day 0.673 hours/ns 2.065 steps/s 2024-05-08 11:10:14,884 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 125700 25140 158.28 8143.1 17347 -9204.4 -9204.4 6.3569 6.4026 2.9777 59200 2024-05-08 11:10:53,727 INFO [main.py:798]
{rank 0/64} MD step = 125800 step time: 00:00:00.382309 Performance: 35.687 ns/day 0.673 hours/ns 2.065 steps/s 2024-05-08 11:11:00,953 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 125800 25160 161.36 8503.3 17685 -9181.9 -9181.9 6.3621 6.4091 2.9811 59241 2024-05-08 11:11:39,864 INFO [main.py:798]
{rank 0/64} MD step = 125900 step time: 00:00:00.396807 Performance: 35.688 ns/day 0.672 hours/ns 2.065 steps/s 2024-05-08 11:11:48,113 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 125900 25180 160.48 8346.3 17589 -9242.5 -9242.5 6.3674 6.4138 2.9837 59249 2024-05-08 11:12:26,503 INFO [main.py:798]
{rank 0/64} MD step = 126000 step time: 00:00:00.416261 Performance: 35.689 ns/day 0.672 hours/ns 2.065 steps/s 2024-05-08 11:12:32,017 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 126000 25200 161.91 8647.4 17745 -9097.6 -9097.6 6.3727 6.4175 2.9868 59345 2024-05-08 11:13:10,449 INFO [main.py:798]
{rank 0/64} MD step = 126100 step time: 00:00:00.374351 Performance: 35.692 ns/day 0.672 hours/ns 2.065 steps/s 2024-05-08 11:13:17,258 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 126100 25220 161.6 8487.1 17712 -9224.5 -9224.5 6.3761 6.4238 2.9894 59376 2024-05-08 11:13:55,563 INFO [main.py:798]
{rank 0/64} MD step = 126200 step time: 00:00:00.388821 Performance: 35.694 ns/day 0.672 hours/ns 2.066 steps/s 2024-05-08 11:14:00,795 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 126200 25240 159.51 8227.6 17483 -9254.9 -9254.9 6.3805 6.4284 2.9926 59419 2024-05-08 11:14:41,620 INFO [main.py:798]
{rank 0/64} MD step = 126300 step time: 00:00:00.423679 Performance: 35.695 ns/day 0.672 hours/ns 2.066 steps/s 2024-05-08 11:14:47,820 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 126300 25260 157.45 8051.7 17257 -9205.1 -9205.1 6.3857 6.4337 2.9925 59452 2024-05-08 11:15:26,206 INFO [main.py:798]
{rank 0/64} MD step = 126400 step time: 00:00:00.397402 Performance: 35.697 ns/day 0.672 hours/ns 2.066 steps/s 2024-05-08 11:15:31,928 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 126400 25280 159.27 8198 17456 -9257.7 -9257.7 6.391 6.4364 2.9936 59534 2024-05-08 11:16:10,684 INFO [main.py:798]
{rank 0/64} MD step = 126500 step time: 00:00:00.371476 Performance: 35.700 ns/day 0.672 hours/ns 2.066 steps/s 2024-05-08 11:16:17,814 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 126500 25300 159.12 8331.5 17440 -9108.5 -9108.5 6.396 6.4406 2.9956 59607 2024-05-08 11:16:56,155 INFO [main.py:798]
{rank 0/64} MD step = 126600 step time: 00:00:00.383659 Performance: 35.701 ns/day 0.672 hours/ns 2.066 steps/s 2024-05-08 11:17:03,126 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 126600 25320 159.54 8219.2 17486 -9267 -9267 6.4004 6.4465 2.9978 59640 2024-05-08 11:17:42,248 INFO [main.py:798]
{rank 0/64} MD step = 126700 step time: 00:00:00.405651 Performance: 35.703 ns/day 0.672 hours/ns 2.066 steps/s 2024-05-08 11:17:48,384 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 126700 25340 162.42 8577.8 17802 -9223.9 -9223.9 6.4039 6.4493 3.0005 59708 2024-05-08 11:18:27,688 INFO [main.py:798]
{rank 0/64} MD step = 126800 step time: 00:00:00.403909 Performance: 35.704 ns/day 0.672 hours/ns 2.066 steps/s 2024-05-08 11:18:34,128 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 126800 25360 159.6 8329.2 17492 -9163 -9163 6.4096 6.454 3.0041 59720 2024-05-08 11:19:13,298 INFO [main.py:798]
{rank 0/64} MD step = 126900 step time: 00:00:00.403583 Performance: 35.706 ns/day 0.672 hours/ns 2.066 steps/s 2024-05-08 11:19:20,059 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 126900 25380 161.35 8414.2 17684 -9269.9 -9269.9 6.4132 6.4591 3.0048 59769 2024-05-08 11:19:59,465 INFO [main.py:798]
{rank 0/64} MD step = 127000 step time: 00:00:00.403841 Performance: 35.707 ns/day 0.672 hours/ns 2.066 steps/s 2024-05-08 11:20:08,627 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 127000 25400 159.77 8267.7 17511 -9243.1 -9243.1 6.4177 6.465 3.0067 59801 2024-05-08 11:20:46,968 INFO [main.py:798]
{rank 0/64} MD step = 127100 step time: 00:00:00.410541 Performance: 35.708 ns/day 0.672 hours/ns 2.066 steps/s 2024-05-08 11:20:56,383 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 127100 25420 158.25 8118 17344 -9226.3 -9226.3 6.4228 6.4698 3.0102 59888 2024-05-08 11:21:33,652 INFO [main.py:798]
{rank 0/64} MD step = 127200 step time: 00:00:00.376238 Performance: 35.709 ns/day 0.672 hours/ns 2.066 steps/s 2024-05-08 11:21:45,624 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 127200 25440 161.33 8562 17682 -9119.9 -9119.9 6.4282 6.4752 3.012 59930 2024-05-08 11:22:25,105 INFO [main.py:798]
{rank 0/64} MD step = 127300 step time: 00:00:00.383689 Performance: 35.707 ns/day 0.672 hours/ns 2.066 steps/s 2024-05-08 11:22:33,937 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 127300 25460 157.85 8056.6 17301 -9244.3 -9244.3 6.4366 6.4808 3.0132 59948 2024-05-08 11:23:12,308 INFO [main.py:798]
{rank 0/64} MD step = 127400 step time: 00:00:00.387303 Performance: 35.708 ns/day 0.672 hours/ns 2.066 steps/s 2024-05-08 11:23:19,419 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 127400 25480 159.21 8235.2 17450 -9214.8 -9214.8 6.4403 6.4866 3.0145 59981 2024-05-08 11:23:59,022 INFO [main.py:798]
{rank 0/64} MD step = 127500 step time: 00:00:00.419564 Performance: 35.709 ns/day 0.672 hours/ns 2.066 steps/s 2024-05-08 11:24:05,452 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 127500 25500 158.94 8198.2 17421 -9222.3 -9222.3 6.446 6.492 3.0189 60032 2024-05-08 11:24:43,636 INFO [main.py:798]
{rank 0/64} MD step = 127600 step time: 00:00:00.384753 Performance: 35.711 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-08 11:24:50,155 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 127600 25520 161.78 8528.5 17732 -9203.3 -9203.3 6.451 6.4972 3.0225 60094 2024-05-08 11:25:29,493 INFO [main.py:798]
{rank 0/64} MD step = 127700 step time: 00:00:00.371535 Performance: 35.712 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-08 11:25:36,766 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 127700 25540 158.28 8122.9 17348 -9225.1 -9225.1 6.4573 6.5021 3.0246 60147 2024-05-08 11:26:16,092 INFO [main.py:798]
{rank 0/64} MD step = 127800 step time: 00:00:00.383224 Performance: 35.713 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-08 11:26:23,052 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 127800 25560 157.29 8017.8 17239 -9221.6 -9221.6 6.462 6.5084 3.0275 60211 2024-05-08 11:27:02,324 INFO [main.py:798]
{rank 0/64} MD step = 127900 step time: 00:00:00.389008 Performance: 35.715 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-08 11:27:11,185 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 127900 25580 160.2 8204.9 17558 -9353.5 -9353.5 6.4668 6.5116 3.0295 60208 2024-05-08 11:27:49,674 INFO [main.py:798]
{rank 0/64} MD step = 128000 step time: 00:00:00.369416 Performance: 35.715 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-08 11:28:10,239 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 128000 25600 160.14 8459.2 17551 -9092.1 -9092.1 6.4722 6.5148 3.0335 60298 2024-05-08 11:28:50,556 INFO [main.py:798]
{rank 0/64} MD step = 128100 step time: 00:00:00.394783 Performance: 35.708 ns/day 0.672 hours/ns 2.066 steps/s 2024-05-08 11:28:57,207 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 128100 25620 159.87 8278.4 17522 -9243.2 -9243.2 6.4783 6.5213 3.0354 60338 2024-05-08 11:29:35,962 INFO [main.py:798]
{rank 0/64} MD step = 128200 step time: 00:00:00.419608 Performance: 35.710 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-08 11:29:41,201 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 128200 25640 159.47 8334.8 17478 -9143.5 -9143.5 6.4824 6.5279 3.0386 60383 2024-05-08 11:30:18,972 INFO [main.py:798]
{rank 0/64} MD step = 128300 step time: 00:00:00.367561 Performance: 35.713 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-08 11:30:26,429 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 128300 25660 161.78 8487.4 17731 -9243.4 -9243.4 6.4891 6.5307 3.0396 60406 2024-05-08 11:31:05,402 INFO [main.py:798]
{rank 0/64} MD step = 128400 step time: 00:00:00.370589 Performance: 35.714 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-08 11:31:11,910 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 128400 25680 163.87 8950.6 17960 -9009.8 -9009.8 6.4935 6.5348 3.0423 60464 2024-05-08 11:31:49,999 INFO [main.py:798]
{rank 0/64} MD step = 128500 step time: 00:00:00.379134 Performance: 35.716 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-08 11:31:55,333 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 128500 25700 160.28 8400.7 17567 -9166.1 -9166.1 6.4983 6.541 3.0456 60489 2024-05-08 11:32:36,618 INFO [main.py:798]
{rank 0/64} MD step = 128600 step time: 00:00:00.419212 Performance: 35.717 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-08 11:32:43,557 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 128600 25720 158 8106.4 17317 -9210.2 -9210.2 6.5045 6.5461 3.0477 60529 2024-05-08 11:33:24,720 INFO [main.py:798]
{rank 0/64} MD step = 128700 step time: 00:00:00.403392 Performance: 35.717 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-08 11:33:31,924 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 128700 25740 159.66 8246.6 17499 -9252.7 -9252.7 6.5079 6.5496 3.0499 60583 2024-05-08 11:34:11,923 INFO [main.py:798]
{rank 0/64} MD step = 128800 step time: 00:00:00.421030 Performance: 35.718 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-08 11:34:18,107 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 128800 25760 161.42 8475.4 17692 -9216.6 -9216.6 6.5123 6.5553 3.0518 60609 2024-05-08 11:34:56,685 INFO [main.py:798]
{rank 0/64} MD step = 128900 step time: 00:00:00.420474 Performance: 35.720 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-08 11:35:03,365 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 128900 25780 159.91 8350.1 17527 -9176.5 -9176.5 6.5183 6.5614 3.0543 60627 2024-05-08 11:35:42,496 INFO [main.py:798]
{rank 0/64} MD step = 129000 step time: 00:00:00.382469 Performance: 35.721 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-08 11:35:49,144 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129000 25800 159.63 8379.2 17495 -9116 -9116 6.5241 6.5667 3.0551 60698 2024-05-08 11:36:27,974 INFO [main.py:798]
{rank 0/64} MD step = 129100 step time: 00:00:00.376472 Performance: 35.723 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-08 11:36:34,209 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129100 25820 162.01 8592.5 17757 -9164.2 -9164.2 6.5298 6.5713 3.057 60701 2024-05-08 11:37:13,540 INFO [main.py:798]
{rank 0/64} MD step = 129200 step time: 00:00:00.433492 Performance: 35.725 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-08 11:37:32,461 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129200 25840 157.83 8125.4 17299 -9173.2 -9173.2 6.5341 6.5777 3.0599 60793 2024-05-08 11:38:10,235 INFO [main.py:798]
{rank 0/64} MD step = 129300 step time: 00:00:00.390358 Performance: 35.720 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-08 11:38:18,415 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129300 25860 160.28 8438.2 17566 -9128.2 -9128.2 6.5387 6.5844 3.0613 60831 2024-05-08 11:39:01,959 INFO [main.py:798]
{rank 0/64} MD step = 129400 step time: 00:00:00.399466 Performance: 35.718 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-08 11:39:14,019 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129400 25880 159.63 8342.3 17496 -9153.5 -9153.5 6.5457 6.5902 3.0637 60865 2024-05-08 11:39:53,381 INFO [main.py:798]
{rank 0/64} MD step = 129500 step time: 00:00:00.405612 Performance: 35.716 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-08 11:39:59,169 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129500 25900 159.7 8340.6 17503 -9162.3 -9162.3 6.5521 6.5967 3.0654 60883 2024-05-08 11:40:38,004 INFO [main.py:798]
{rank 0/64} MD step = 129600 step time: 00:00:00.395381 Performance: 35.718 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-08 11:40:43,368 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129600 25920 158.68 8128.1 17392 -9263.9 -9263.9 6.56 6.6013 3.0675 60936 2024-05-08 11:41:22,321 INFO [main.py:798]
{rank 0/64} MD step = 129700 step time: 00:00:00.376682 Performance: 35.721 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-08 11:41:30,686 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129700 25940 160.63 8399.2 17605 -9205.9 -9205.9 6.5641 6.6078 3.0707 60990 2024-05-08 11:42:10,279 INFO [main.py:798]
{rank 0/64} MD step = 129800 step time: 00:00:00.369946 Performance: 35.721 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-08 11:42:15,124 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129800 25960 160.66 8357.2 17608 -9251.2 -9251.2 6.5675 6.6133 3.0737 61033 2024-05-08 11:42:53,336 INFO [main.py:798]
{rank 0/64} MD step = 129900 step time: 00:00:00.378809 Performance: 35.724 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-08 11:43:03,117 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 129900 25980 159.77 8383.3 17511 -9127.6 -9127.6 6.5726 6.6197 3.0766 61092 2024-05-08 11:43:42,406 INFO [main.py:798]
{rank 0/64} MD step = 130000 step time: 00:00:00.402394 Performance: 35.724 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-08 11:43:48,642 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130000 26000 160.03 8422.2 17539 -9117.1 -9117.1 6.577 6.6253 3.0794 61140 2024-05-08 11:44:27,867 INFO [main.py:798]
{rank 0/64} MD step = 130100 step time: 00:00:00.442959 Performance: 35.725 ns/day 0.672 hours/ns 2.067 steps/s 2024-05-08 11:44:33,589 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130100 26020 162.56 8579.4 17817 -9237.1 -9237.1 6.5827 6.6306 3.0813 61160 2024-05-08 11:45:12,807 INFO [main.py:798]
{rank 0/64} MD step = 130200 step time: 00:00:00.391155 Performance: 35.727 ns/day 0.672 hours/ns 2.068 steps/s 2024-05-08 11:45:21,502 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130200 26040 160.34 8453.7 17573 -9119.5 -9119.5 6.588 6.6359 3.0849 61207 2024-05-08 11:45:59,955 INFO [main.py:798]
{rank 0/64} MD step = 130300 step time: 00:00:00.428216 Performance: 35.728 ns/day 0.672 hours/ns 2.068 steps/s 2024-05-08 11:46:05,265 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130300 26060 162.3 8569.1 17788 -9218.8 -9218.8 6.5944 6.6404 3.0877 61269 2024-05-08 11:46:43,905 INFO [main.py:798]
{rank 0/64} MD step = 130400 step time: 00:00:00.429697 Performance: 35.730 ns/day 0.672 hours/ns 2.068 steps/s 2024-05-08 11:46:50,479 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130400 26080 158.96 8259.8 17423 -9162.7 -9162.7 6.5971 6.6453 3.0889 61318 2024-05-08 11:47:29,534 INFO [main.py:798]
{rank 0/64} MD step = 130500 step time: 00:00:00.387460 Performance: 35.732 ns/day 0.672 hours/ns 2.068 steps/s 2024-05-08 11:47:35,480 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130500 26100 160.9 8438.7 17635 -9196.2 -9196.2 6.6016 6.6503 3.092 61366 2024-05-08 11:48:13,137 INFO [main.py:798]
{rank 0/64} MD step = 130600 step time: 00:00:00.385070 Performance: 35.735 ns/day 0.672 hours/ns 2.068 steps/s 2024-05-08 11:48:19,297 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130600 26120 157.91 8029.7 17307 -9277.3 -9277.3 6.6072 6.6554 3.0926 61368 2024-05-08 11:48:57,763 INFO [main.py:798]
{rank 0/64} MD step = 130700 step time: 00:00:00.410668 Performance: 35.737 ns/day 0.672 hours/ns 2.068 steps/s 2024-05-08 11:49:04,489 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130700 26140 159.07 8202.1 17434 -9231.7 -9231.7 6.6117 6.661 3.0948 61429 2024-05-08 11:49:44,345 INFO [main.py:798]
{rank 0/64} MD step = 130800 step time: 00:00:00.382897 Performance: 35.738 ns/day 0.672 hours/ns 2.068 steps/s 2024-05-08 11:49:50,517 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130800 26160 160.12 8393.1 17549 -9156.1 -9156.1 6.615 6.6654 3.0995 61471 2024-05-08 11:50:29,142 INFO [main.py:798]
{rank 0/64} MD step = 130900 step time: 00:00:00.374390 Performance: 35.740 ns/day 0.672 hours/ns 2.068 steps/s 2024-05-08 11:50:35,989 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 130900 26180 160.18 8397.6 17555 -9157.9 -9157.9 6.6194 6.6712 3.1007 61531 2024-05-08 11:51:14,534 INFO [main.py:798]
{rank 0/64} MD step = 131000 step time: 00:00:00.409077 Performance: 35.741 ns/day 0.671 hours/ns 2.068 steps/s 2024-05-08 11:51:23,711 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131000 26200 157.64 8028.4 17278 -9249.1 -9249.1 6.6246 6.6766 3.1016 61573 2024-05-08 11:52:02,140 INFO [main.py:798]
{rank 0/64} MD step = 131100 step time: 00:00:00.430447 Performance: 35.742 ns/day 0.671 hours/ns 2.068 steps/s 2024-05-08 11:52:12,084 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131100 26220 159.91 8324.6 17526 -9201.4 -9201.4 6.6287 6.6798 3.1043 61607 2024-05-08 11:52:49,720 INFO [main.py:798]
{rank 0/64} MD step = 131200 step time: 00:00:00.371253 Performance: 35.742 ns/day 0.671 hours/ns 2.068 steps/s 2024-05-08 11:52:58,337 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131200 26240 159.17 8293.4 17445 -9151.4 -9151.4 6.6345 6.6858 3.1073 61660 2024-05-08 11:53:37,220 INFO [main.py:798]
{rank 0/64} MD step = 131300 step time: 00:00:00.411333 Performance: 35.743 ns/day 0.671 hours/ns 2.068 steps/s 2024-05-08 11:53:43,809 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131300 26260 156.55 7874.9 17158 -9283.4 -9283.4 6.6405 6.6892 3.1113 61695 2024-05-08 11:54:21,823 INFO [main.py:798]
{rank 0/64} MD step = 131400 step time: 00:00:00.404806 Performance: 35.745 ns/day 0.671 hours/ns 2.069 steps/s 2024-05-08 11:54:29,024 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131400 26280 162.16 8662.8 17772 -9109.7 -9109.7 6.6438 6.6942 3.1134 61722 2024-05-08 11:55:07,691 INFO [main.py:798]
{rank 0/64} MD step = 131500 step time: 00:00:00.364367 Performance: 35.746 ns/day 0.671 hours/ns 2.069 steps/s 2024-05-08 11:55:13,535 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131500 26300 159.72 8223.8 17506 -9282 -9282 6.6489 6.6997 3.1158 61757 2024-05-08 11:55:52,970 INFO [main.py:798]
{rank 0/64} MD step = 131600 step time: 00:00:00.359721 Performance: 35.748 ns/day 0.671 hours/ns 2.069 steps/s 2024-05-08 11:55:59,527 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131600 26320 161.39 8522 17688 -9166.2 -9166.2 6.6562 6.7031 3.118 61841 2024-05-08 11:56:39,685 INFO [main.py:798]
{rank 0/64} MD step = 131700 step time: 00:00:00.385603 Performance: 35.749 ns/day 0.671 hours/ns 2.069 steps/s 2024-05-08 11:56:44,435 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131700 26340 161.6 8536.2 17711 -9174.9 -9174.9 6.6624 6.7068 3.1216 61897 2024-05-08 11:57:25,436 INFO [main.py:798]
{rank 0/64} MD step = 131800 step time: 00:00:00.383943 Performance: 35.750 ns/day 0.671 hours/ns 2.069 steps/s 2024-05-08 11:57:35,277 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131800 26360 157.62 8021.1 17276 -9254.8 -9254.8 6.6683 6.7102 3.1262 61904 2024-05-08 11:58:14,816 INFO [main.py:798]
{rank 0/64} MD step = 131900 step time: 00:00:00.435512 Performance: 35.750 ns/day 0.671 hours/ns 2.069 steps/s 2024-05-08 11:58:20,373 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 131900 26380 158.85 8303.2 17410 -9106.7 -9106.7 6.6738 6.7134 3.1283 61932 2024-05-08 11:58:59,329 INFO [main.py:798]
{rank 0/64} MD step = 132000 step time: 00:00:00.418331 Performance: 35.752 ns/day 0.671 hours/ns 2.069 steps/s 2024-05-08 11:59:05,472 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 132000 26400 161 8595.3 17646 -9050.6 -9050.6 6.6777 6.7153 3.1295 62019 2024-05-08 11:59:43,266 INFO [main.py:798]
{rank 0/64} MD step = 132100 step time: 00:00:00.388408 Performance: 35.754 ns/day 0.671 hours/ns 2.069 steps/s 2024-05-08 11:59:52,219 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 132100 26420 161.37 8476.3 17686 -9210.2 -9210.2 6.682 6.7206 3.131 62037 2024-05-08 12:00:29,227 INFO [main.py:798]
{rank 0/64} MD step = 132200 step time: 00:00:00.387876 Performance: 35.756 ns/day 0.671 hours/ns 2.069 steps/s 2024-05-08 12:00:35,619 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 132200 26440 162.13 8574.2 17770 -9195.9 -9195.9 6.6877 6.7245 3.1329 62075 2024-05-08 12:01:14,447 INFO [main.py:798]
{rank 0/64} MD step = 132300 step time: 00:00:00.402053 Performance: 35.757 ns/day 0.671 hours/ns 2.069 steps/s 2024-05-08 12:01:21,094 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 132300 26460 161.42 8578.7 17692 -9113.4 -9113.4 6.6931 6.7286 3.1345 62140 2024-05-08 12:02:00,391 INFO [main.py:798]
{rank 0/64} MD step = 132400 step time: 00:00:00.392995 Performance: 35.759 ns/day 0.671 hours/ns 2.069 steps/s 2024-05-08 12:02:06,624 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 132400 26480 161.45 8423.7 17695 -9271.4 -9271.4 6.6984 6.7358 3.1377 62168 2024-05-08 12:02:45,280 INFO [main.py:798]
{rank 0/64} MD step = 132500 step time: 00:00:00.364294 Performance: 35.761 ns/day 0.671 hours/ns 2.069 steps/s 2024-05-08 12:02:51,408 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 132500 26500 159.19 8246.6 17448 -9201.2 -9201.2 6.7032 6.7408 3.1404 62221 2024-05-08 12:03:30,585 INFO [main.py:798]
{rank 0/64} MD step = 132600 step time: 00:00:00.366624 Performance: 35.762 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-08 12:03:36,814 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 132600 26520 161.9 8381.3 17745 -9363.5 -9363.5 6.7059 6.7475 3.1447 62257 2024-05-08 12:04:15,060 INFO [main.py:798]
{rank 0/64} MD step = 132700 step time: 00:00:00.379624 Performance: 35.765 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-08 12:04:22,474 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 132700 26540 158.91 8298.9 17417 -9117.8 -9117.8 6.712 6.752 3.1457 62310 2024-05-08 12:05:01,662 INFO [main.py:798]
{rank 0/64} MD step = 132800 step time: 00:00:00.386817 Performance: 35.766 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-08 12:05:08,918 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 132800 26560 160.37 8446.7 17576 -9129.8 -9129.8 6.7172 6.7573 3.1468 62360 2024-05-08 12:05:48,454 INFO [main.py:798]
{rank 0/64} MD step = 132900 step time: 00:00:00.389682 Performance: 35.766 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-08 12:05:55,031 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 132900 26580 161.82 8481.7 17736 -9254.2 -9254.2 6.7229 6.7617 3.1512 62430 2024-05-08 12:06:33,332 INFO [main.py:798]
{rank 0/64} MD step = 133000 step time: 00:00:00.384583 Performance: 35.768 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-08 12:06:47,370 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133000 26600 158.55 8098.2 17378 -9279.4 -9279.4 6.7264 6.765 3.1524 62459 2024-05-08 12:07:25,644 INFO [main.py:798]
{rank 0/64} MD step = 133100 step time: 00:00:00.431493 Performance: 35.766 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-08 12:07:30,507 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133100 26620 160.66 8457.2 17608 -9151.1 -9151.1 6.7335 6.7702 3.1534 62518 2024-05-08 12:08:10,692 INFO [main.py:798]
{rank 0/64} MD step = 133200 step time: 00:00:00.416637 Performance: 35.768 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-08 12:08:18,204 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133200 26640 159.3 8205.1 17459 -9254.4 -9254.4 6.7394 6.776 3.1573 62554 2024-05-08 12:08:56,911 INFO [main.py:798]
{rank 0/64} MD step = 133300 step time: 00:00:00.423497 Performance: 35.769 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-08 12:09:04,527 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133300 26660 162.07 8471.8 17763 -9290.8 -9290.8 6.7445 6.781 3.1599 62592 2024-05-08 12:09:43,706 INFO [main.py:798]
{rank 0/64} MD step = 133400 step time: 00:00:00.382573 Performance: 35.770 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-08 12:09:50,330 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133400 26680 159.91 8356.6 17526 -9169.5 -9169.5 6.7504 6.7854 3.161 62638 2024-05-08 12:10:30,185 INFO [main.py:798]
{rank 0/64} MD step = 133500 step time: 00:00:00.409181 Performance: 35.771 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-08 12:10:36,218 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133500 26700 158.82 8235.4 17407 -9171.3 -9171.3 6.7546 6.7902 3.1626 62700 2024-05-08 12:11:16,558 INFO [main.py:798]
{rank 0/64} MD step = 133600 step time: 00:00:00.427615 Performance: 35.772 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-08 12:11:22,620 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133600 26720 161.03 8420.7 17649 -9228.6 -9228.6 6.7598 6.7962 3.1655 62733 2024-05-08 12:12:00,160 INFO [main.py:798]
{rank 0/64} MD step = 133700 step time: 00:00:00.412244 Performance: 35.775 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-08 12:12:08,988 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133700 26740 159.55 8261.5 17486 -9225 -9225 6.7646 6.7992 3.1664 62744 2024-05-08 12:12:49,709 INFO [main.py:798]
{rank 0/64} MD step = 133800 step time: 00:00:00.384092 Performance: 35.774 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-08 12:13:04,883 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133800 26760 161.07 8418.3 17654 -9235.7 -9235.7 6.77 6.804 3.1685 62817 2024-05-08 12:13:43,818 INFO [main.py:798]
{rank 0/64} MD step = 133900 step time: 00:00:00.402374 Performance: 35.771 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-08 12:13:52,120 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 133900 26780 160.09 8335 17546 -9211.2 -9211.2 6.7771 6.8109 3.1704 62856 2024-05-08 12:14:31,500 INFO [main.py:798]
{rank 0/64} MD step = 134000 step time: 00:00:00.404321 Performance: 35.771 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-08 12:14:37,081 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 134000 26800 157.66 7986.7 17280 -9293.6 -9293.6 6.7831 6.8143 3.1714 62862 2024-05-08 12:15:17,385 INFO [main.py:798]
{rank 0/64} MD step = 134100 step time: 00:00:00.402241 Performance: 35.772 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-08 12:15:23,472 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 134100 26820 159.94 8289.3 17530 -9240.5 -9240.5 6.7889 6.8198 3.1752 62912 2024-05-08 12:16:04,187 INFO [main.py:798]
{rank 0/64} MD step = 134200 step time: 00:00:00.394204 Performance: 35.773 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-08 12:16:11,201 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 134200 26840 158.05 8031.3 17322 -9291 -9291 6.7928 6.823 3.1772 62987 2024-05-08 12:16:49,569 INFO [main.py:798]
{rank 0/64} MD step = 134300 step time: 00:00:00.400280 Performance: 35.775 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-08 12:16:54,858 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 134300 26860 160.64 8386.7 17606 -9219.6 -9219.6 6.7977 6.8281 3.1796 63029 2024-05-08 12:17:33,442 INFO [main.py:798]
{rank 0/64} MD step = 134400 step time: 00:00:00.396885 Performance: 35.777 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-08 12:17:41,022 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 134400 26880 161.13 8378.8 17660 -9281 -9281 6.8016 6.8362 3.1799 63080 2024-05-08 12:18:19,639 INFO [main.py:798]
{rank 0/64} MD step = 134500 step time: 00:00:00.374864 Performance: 35.778 ns/day 0.671 hours/ns 2.071 steps/s 2024-05-08 12:18:33,000 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 134500 26900 159.59 8282.7 17491 -9208.7 -9208.7 6.8078 6.8388 3.1827 63116 2024-05-08 12:19:12,415 INFO [main.py:798]
{rank 0/64} MD step = 134600 step time: 00:00:00.375094 Performance: 35.776 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-08 12:19:19,289 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 134600 26920 159.55 8314.9 17487 -9171.6 -9171.6 6.8117 6.8437 3.1846 63150 2024-05-08 12:19:58,887 INFO [main.py:798]
{rank 0/64} MD step = 134700 step time: 00:00:00.371141 Performance: 35.777 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-08 12:20:04,754 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 134700 26940 158.14 8157.9 17332 -9174.1 -9174.1 6.816 6.8494 3.1878 63177 2024-05-08 12:20:45,226 INFO [main.py:798]
{rank 0/64} MD step = 134800 step time: 00:00:00.383808 Performance: 35.778 ns/day 0.671 hours/ns 2.070 steps/s 2024-05-08 12:20:52,144 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 134800 26960 163.94 8770.5 17968 -9197.1 -9197.1 6.8197 6.8548 3.1905 63233 2024-05-08 12:21:30,540 INFO [main.py:798]
{rank 0/64} MD step = 134900 step time: 00:00:00.347924 Performance: 35.780 ns/day 0.671 hours/ns 2.071 steps/s 2024-05-08 12:21:36,647 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 134900 26980 162.63 8671.5 17824 -9152.5 -9152.5 6.827 6.8617 3.1921 63303 2024-05-08 12:22:15,328 INFO [main.py:798]
{rank 0/64} MD step = 135000 step time: 00:00:00.347003 Performance: 35.782 ns/day 0.671 hours/ns 2.071 steps/s 2024-05-08 12:22:26,300 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135000 27000 157.67 8070.8 17281 -9209.7 -9209.7 6.8311 6.8651 3.1941 63328 2024-05-08 12:23:05,239 INFO [main.py:798]
{rank 0/64} MD step = 135100 step time: 00:00:00.372596 Performance: 35.781 ns/day 0.671 hours/ns 2.071 steps/s 2024-05-08 12:23:10,619 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135100 27020 160.48 8360 17589 -9228.8 -9228.8 6.8365 6.8703 3.1969 63369 2024-05-08 12:23:48,837 INFO [main.py:798]
{rank 0/64} MD step = 135200 step time: 00:00:00.381664 Performance: 35.783 ns/day 0.671 hours/ns 2.071 steps/s 2024-05-08 12:23:55,535 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135200 27040 160.2 8267.1 17558 -9290.8 -9290.8 6.8408 6.8745 3.1983 63409 2024-05-08 12:24:38,175 INFO [main.py:798]
{rank 0/64} MD step = 135300 step time: 00:00:01.491409 Performance: 35.783 ns/day 0.671 hours/ns 2.071 steps/s 2024-05-08 12:24:44,572 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135300 27060 157.48 7998.8 17260 -9260.8 -9260.8 6.8457 6.8795 3.2009 63468 2024-05-08 12:25:23,023 INFO [main.py:798]
{rank 0/64} MD step = 135400 step time: 00:00:00.403348 Performance: 35.785 ns/day 0.671 hours/ns 2.071 steps/s 2024-05-08 12:25:28,886 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135400 27080 158.65 8262.1 17388 -9126.3 -9126.3 6.8507 6.8868 3.2041 63508 2024-05-08 12:26:07,054 INFO [main.py:798]
{rank 0/64} MD step = 135500 step time: 00:00:00.405421 Performance: 35.787 ns/day 0.671 hours/ns 2.071 steps/s 2024-05-08 12:26:12,819 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135500 27100 159.19 8184 17447 -9263 -9263 6.8565 6.8931 3.2085 63533 2024-05-08 12:26:51,662 INFO [main.py:798]
{rank 0/64} MD step = 135600 step time: 00:00:00.408060 Performance: 35.789 ns/day 0.671 hours/ns 2.071 steps/s 2024-05-08 12:26:59,835 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135600 27120 158.72 8155.1 17396 -9240.8 -9240.8 6.8609 6.8976 3.209 63578 2024-05-08 12:27:38,633 INFO [main.py:798]
{rank 0/64} MD step = 135700 step time: 00:00:00.419512 Performance: 35.790 ns/day 0.671 hours/ns 2.071 steps/s 2024-05-08 12:27:45,289 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135700 27140 158.81 8263.4 17406 -9142.1 -9142.1 6.8664 6.9022 3.2102 63636 2024-05-08 12:28:24,490 INFO [main.py:798]
{rank 0/64} MD step = 135800 step time: 00:00:00.377501 Performance: 35.791 ns/day 0.671 hours/ns 2.071 steps/s 2024-05-08 12:28:30,355 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135800 27160 160.42 8454 17582 -9128.2 -9128.2 6.8697 6.9062 3.2141 63678 2024-05-08 12:29:09,799 INFO [main.py:798]
{rank 0/64} MD step = 135900 step time: 00:00:00.416067 Performance: 35.793 ns/day 0.671 hours/ns 2.071 steps/s 2024-05-08 12:29:17,346 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 135900 27180 160.66 8424 17608 -9184.2 -9184.2 6.8748 6.9124 3.2164 63702 2024-05-08 12:29:56,222 INFO [main.py:798]
{rank 0/64} MD step = 136000 step time: 00:00:00.403699 Performance: 35.794 ns/day 0.671 hours/ns 2.071 steps/s 2024-05-08 12:30:02,453 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 136000 27200 159.27 8193.4 17456 -9262.4 -9262.4 6.8808 6.9152 3.2186 63759 2024-05-08 12:30:41,029 INFO [main.py:798]
{rank 0/64} MD step = 136100 step time: 00:00:00.397690 Performance: 35.795 ns/day 0.670 hours/ns 2.071 steps/s 2024-05-08 12:30:47,447 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 136100 27220 158.63 8156.5 17386 -9229.2 -9229.2 6.8848 6.9206 3.2211 63804 2024-05-08 12:31:26,281 INFO [main.py:798]
{rank 0/64} MD step = 136200 step time: 00:00:00.408124 Performance: 35.797 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-08 12:31:32,517 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 136200 27240 161.61 8589.3 17713 -9123.7 -9123.7 6.8912 6.9264 3.2251 63867 2024-05-08 12:32:11,642 INFO [main.py:798]
{rank 0/64} MD step = 136300 step time: 00:00:00.395090 Performance: 35.799 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-08 12:32:19,035 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 136300 27260 160.42 8410.8 17582 -9171.2 -9171.2 6.896 6.93 3.2267 63894 2024-05-08 12:32:58,327 INFO [main.py:798]
{rank 0/64} MD step = 136400 step time: 00:00:00.408012 Performance: 35.800 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-08 12:33:15,835 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 136400 27280 159.68 8226.4 17501 -9275 -9275 6.9028 6.936 3.2312 63899 2024-05-08 12:33:53,277 INFO [main.py:798]
{rank 0/64} MD step = 136500 step time: 00:00:00.422116 Performance: 35.796 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-08 12:33:57,627 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 136500 27300 159.7 8291 17503 -9212.1 -9212.1 6.909 6.9419 3.2311 63994 2024-05-08 12:34:37,296 INFO [main.py:798]
{rank 0/64} MD step = 136600 step time: 00:00:00.377132 Performance: 35.798 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-08 12:34:43,799 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 136600 27320 159.85 8304.6 17520 -9215.5 -9215.5 6.9151 6.9462 3.235 64075 2024-05-08 12:35:21,266 INFO [main.py:798]
{rank 0/64} MD step = 136700 step time: 00:00:00.366641 Performance: 35.801 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-08 12:35:34,502 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 136700 27340 157.53 8161 17266 -9104.5 -9104.5 6.9175 6.9521 3.236 64089 2024-05-08 12:36:15,451 INFO [main.py:798]
{rank 0/64} MD step = 136800 step time: 00:00:00.364985 Performance: 35.797 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-08 12:36:22,572 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 136800 27360 160.94 8441.3 17640 -9198.4 -9198.4 6.9216 6.9557 3.2366 64124 2024-05-08 12:37:02,125 INFO [main.py:798]
{rank 0/64} MD step = 136900 step time: 00:00:00.419321 Performance: 35.798 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-08 12:37:14,680 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 136900 27380 160.82 8595.7 17626 -9030 -9030 6.927 6.9624 3.2384 64136 2024-05-08 12:37:55,870 INFO [main.py:798]
{rank 0/64} MD step = 137000 step time: 00:00:00.366828 Performance: 35.795 ns/day 0.670 hours/ns 2.071 steps/s 2024-05-08 12:38:02,416 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 137000 27400 159.42 8161.7 17472 -9310.6 -9310.6 6.9334 6.9687 3.241 64178 2024-05-08 12:38:41,929 INFO [main.py:798]
{rank 0/64} MD step = 137100 step time: 00:00:00.355352 Performance: 35.796 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-08 12:38:48,226 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 137100 27420 157.4 8038.5 17251 -9212.3 -9212.3 6.9379 6.9754 3.2419 64195 2024-05-08 12:39:27,713 INFO [main.py:798]
{rank 0/64} MD step = 137200 step time: 00:00:00.363998 Performance: 35.798 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-08 12:39:32,599 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 137200 27440 161.62 8464.6 17714 -9249.2 -9249.2 6.9444 6.9807 3.2444 64252 2024-05-08 12:40:14,667 INFO [main.py:798]
{rank 0/64} MD step = 137300 step time: 00:00:00.392914 Performance: 35.799 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-08 12:40:20,597 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 137300 27460 159.81 8284.3 17516 -9231.5 -9231.5 6.9492 6.9845 3.2483 64286 2024-05-08 12:40:58,278 INFO [main.py:798]
{rank 0/64} MD step = 137400 step time: 00:00:00.404960 Performance: 35.801 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-08 12:41:04,765 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 137400 27480 157.49 8094.6 17262 -9166.9 -9166.9 6.9539 6.9888 3.2508 64355 2024-05-08 12:41:43,077 INFO [main.py:798]
{rank 0/64} MD step = 137500 step time: 00:00:00.415843 Performance: 35.803 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-08 12:41:49,834 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 137500 27500 159.07 8254.4 17435 -9180.2 -9180.2 6.9587 6.9947 3.252 64414 2024-05-08 12:42:30,440 INFO [main.py:798]
{rank 0/64} MD step = 137600 step time: 00:00:00.396901 Performance: 35.803 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-08 12:42:36,248 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 137600 27520 160.12 8336.1 17550 -9213.4 -9213.4 6.9643 6.9999 3.2537 64419 2024-05-08 12:43:16,680 INFO [main.py:798]
{rank 0/64} MD step = 137700 step time: 00:00:00.377537 Performance: 35.804 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-08 12:43:23,519 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 137700 27540 160.09 8387.9 17546 -9158 -9158 6.9691 7.0053 3.2567 64509 2024-05-08 12:44:01,936 INFO [main.py:798]
{rank 0/64} MD step = 137800 step time: 00:00:00.369667 Performance: 35.806 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-08 12:44:09,660 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 137800 27560 160 8459.5 17536 -9077 -9077 6.9728 7.0101 3.2579 64551 2024-05-08 12:44:48,584 INFO [main.py:798]
{rank 0/64} MD step = 137900 step time: 00:00:00.354884 Performance: 35.807 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-08 12:44:54,402 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 137900 27580 157.98 8113.5 17314 -9200.7 -9200.7 6.9766 7.0141 3.2598 64577 2024-05-08 12:45:33,438 INFO [main.py:798]
{rank 0/64} MD step = 138000 step time: 00:00:00.393856 Performance: 35.809 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-08 12:45:39,753 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138000 27600 160.89 8419.4 17634 -9214.6 -9214.6 6.9818 7.0181 3.2602 64662 2024-05-08 12:46:18,448 INFO [main.py:798]
{rank 0/64} MD step = 138100 step time: 00:00:00.389946 Performance: 35.811 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-08 12:46:23,129 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138100 27620 158.75 8115.2 17399 -9284.2 -9284.2 6.9848 7.0231 3.2622 64705 2024-05-08 12:47:02,259 INFO [main.py:798]
{rank 0/64} MD step = 138200 step time: 00:00:00.360630 Performance: 35.813 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 12:47:07,922 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138200 27640 159.98 8296.2 17534 -9238.3 -9238.3 6.9909 7.0271 3.264 64742 2024-05-08 12:47:47,636 INFO [main.py:798]
{rank 0/64} MD step = 138300 step time: 00:00:00.385999 Performance: 35.814 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 12:47:54,877 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138300 27660 161.13 8328.2 17660 -9331.8 -9331.8 6.9964 7.0321 3.2682 64800 2024-05-08 12:48:33,489 INFO [main.py:798]
{rank 0/64} MD step = 138400 step time: 00:00:00.356672 Performance: 35.816 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 12:48:39,802 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138400 27680 158.77 8231.4 17401 -9169.9 -9169.9 7.0041 7.0365 3.2714 64876 2024-05-08 12:49:19,044 INFO [main.py:798]
{rank 0/64} MD step = 138500 step time: 00:00:00.376845 Performance: 35.817 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 12:49:24,838 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138500 27700 160.7 8411.6 17613 -9201 -9201 7.0067 7.0404 3.2732 64928 2024-05-08 12:50:04,457 INFO [main.py:798]
{rank 0/64} MD step = 138600 step time: 00:00:00.381909 Performance: 35.819 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 12:50:10,207 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138600 27720 163.17 8810.8 17884 -9072.8 -9072.8 7.0122 7.045 3.2756 64948 2024-05-08 12:50:48,931 INFO [main.py:798]
{rank 0/64} MD step = 138700 step time: 00:00:00.409743 Performance: 35.821 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 12:50:54,792 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138700 27740 158.62 8165.8 17385 -9219.3 -9219.3 7.0179 7.0491 3.2769 65000 2024-05-08 12:51:34,209 INFO [main.py:798]
{rank 0/64} MD step = 138800 step time: 00:00:00.392762 Performance: 35.822 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 12:51:41,168 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138800 27760 160.25 8471.6 17563 -9091.6 -9091.6 7.0233 7.0567 3.2798 65064 2024-05-08 12:52:23,028 INFO [main.py:798]
{rank 0/64} MD step = 138900 step time: 00:00:00.439034 Performance: 35.822 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 12:52:28,694 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 138900 27780 157.74 8097.5 17288 -9190.9 -9190.9 7.0293 7.0629 3.2814 65088 2024-05-08 12:53:07,176 INFO [main.py:798]
{rank 0/64} MD step = 139000 step time: 00:00:00.409211 Performance: 35.824 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 12:53:13,927 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139000 27800 159 8157.1 17427 -9269.8 -9269.8 7.035 7.0677 3.2848 65134 2024-05-08 12:53:53,958 INFO [main.py:798]
{rank 0/64} MD step = 139100 step time: 00:00:00.419428 Performance: 35.825 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 12:53:59,376 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139100 27820 159.07 8181.3 17434 -9252.5 -9252.5 7.0392 7.0743 3.2868 65174 2024-05-08 12:54:39,163 INFO [main.py:798]
{rank 0/64} MD step = 139200 step time: 00:00:00.387965 Performance: 35.827 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 12:54:47,161 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139200 27840 159.68 8467.6 17502 -9034 -9034 7.043 7.0808 3.2872 65213 2024-05-08 12:55:26,208 INFO [main.py:798]
{rank 0/64} MD step = 139300 step time: 00:00:00.407456 Performance: 35.827 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 12:55:38,218 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139300 27860 160.15 8307.3 17553 -9245.6 -9245.6 7.0476 7.0854 3.29 65230 2024-05-08 12:56:17,871 INFO [main.py:798]
{rank 0/64} MD step = 139400 step time: 00:00:00.388397 Performance: 35.825 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 12:56:26,490 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139400 27880 159.1 8154.9 17437 -9282.4 -9282.4 7.0533 7.0898 3.294 65293 2024-05-08 12:57:07,690 INFO [main.py:798]
{rank 0/64} MD step = 139500 step time: 00:00:00.392351 Performance: 35.825 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 12:57:14,387 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139500 27900 158.09 8090.6 17327 -9236.5 -9236.5 7.0609 7.0963 3.2963 65313 2024-05-08 12:57:52,612 INFO [main.py:798]
{rank 0/64} MD step = 139600 step time: 00:00:00.352731 Performance: 35.826 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 12:58:03,169 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139600 27920 160.5 8470.9 17591 -9120 -9120 7.0658 7.1013 3.2992 65392 2024-05-08 12:58:41,718 INFO [main.py:798]
{rank 0/64} MD step = 139700 step time: 00:00:00.373100 Performance: 35.826 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 12:58:48,416 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139700 27940 160.36 8525.2 17575 -9050.2 -9050.2 7.0719 7.1054 3.3021 65466 2024-05-08 12:59:27,759 INFO [main.py:798]
{rank 0/64} MD step = 139800 step time: 00:00:00.351700 Performance: 35.827 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 12:59:42,072 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139800 27960 160.81 8358.1 17625 -9267.1 -9267.1 7.077 7.1118 3.3029 65468 2024-05-08 13:00:21,343 INFO [main.py:798]
{rank 0/64} MD step = 139900 step time: 00:00:00.395582 Performance: 35.824 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 13:00:27,771 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 139900 27980 160.82 8394.9 17626 -9231.2 -9231.2 7.0831 7.1175 3.3042 65540 2024-05-08 13:01:09,331 INFO [main.py:798]
{rank 0/64} MD step = 140000 step time: 00:00:00.407899 Performance: 35.824 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 13:01:16,678 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 140000 28000 161.84 8475.6 17738 -9262.8 -9262.8 7.0882 7.1212 3.3064 65553 2024-05-08 13:01:55,316 INFO [main.py:798]
{rank 0/64} MD step = 140100 step time: 00:00:00.408861 Performance: 35.825 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 13:02:14,739 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 140100 28020 161.32 8417.1 17681 -9264.3 -9264.3 7.0935 7.1275 3.3083 65583 2024-05-08 13:02:53,879 INFO [main.py:798]
{rank 0/64} MD step = 140200 step time: 00:00:00.377371 Performance: 35.820 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 13:03:00,931 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 140200 28040 159.44 8289.9 17475 -9185.3 -9185.3 7.0989 7.1325 3.3118 65634 2024-05-08 13:03:38,988 INFO [main.py:798]
{rank 0/64} MD step = 140300 step time: 00:00:00.387359 Performance: 35.822 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 13:03:46,518 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 140300 28060 162.95 8558.5 17859 -9300.8 -9300.8 7.1026 7.1398 3.3148 65664 2024-05-08 13:04:26,205 INFO [main.py:798]
{rank 0/64} MD step = 140400 step time: 00:00:00.418975 Performance: 35.822 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 13:04:33,578 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 140400 28080 158.29 8206.7 17349 -9142.2 -9142.2 7.1079 7.146 3.3195 65679 2024-05-08 13:05:12,396 INFO [main.py:798]
{rank 0/64} MD step = 140500 step time: 00:00:00.410501 Performance: 35.823 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 13:05:18,699 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 140500 28100 158.96 8212.6 17422 -9209.7 -9209.7 7.1123 7.1494 3.3222 65713 2024-05-08 13:05:59,019 INFO [main.py:798]
{rank 0/64} MD step = 140600 step time: 00:00:00.401657 Performance: 35.824 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 13:06:05,416 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 140600 28120 159.01 8323.5 17428 -9104.6 -9104.6 7.1167 7.1543 3.3246 65744 2024-05-08 13:06:44,616 INFO [main.py:798]
{rank 0/64} MD step = 140700 step time: 00:00:00.403520 Performance: 35.826 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 13:06:52,137 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 140700 28140 162.62 8691 17824 -9132.8 -9132.8 7.122 7.1595 3.3267 65820 2024-05-08 13:07:31,977 INFO [main.py:798]
{rank 0/64} MD step = 140800 step time: 00:00:00.401084 Performance: 35.826 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 13:07:38,810 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 140800 28160 159.79 8240.2 17514 -9273.5 -9273.5 7.1264 7.1631 3.3281 65854 2024-05-08 13:08:18,117 INFO [main.py:798]
{rank 0/64} MD step = 140900 step time: 00:00:00.379704 Performance: 35.827 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 13:08:25,207 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 140900 28180 160.16 8269.4 17553 -9284 -9284 7.1322 7.1665 3.3306 65904 2024-05-08 13:09:04,077 INFO [main.py:798]
{rank 0/64} MD step = 141000 step time: 00:00:00.376430 Performance: 35.828 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 13:09:11,499 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141000 28200 161.57 8515.3 17708 -9193.1 -9193.1 7.1359 7.1724 3.3337 65970 2024-05-08 13:09:50,557 INFO [main.py:798]
{rank 0/64} MD step = 141100 step time: 00:00:00.387629 Performance: 35.829 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 13:09:57,274 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141100 28220 160.77 8499.7 17621 -9121.3 -9121.3 7.1396 7.179 3.3378 65998 2024-05-08 13:10:36,701 INFO [main.py:798]
{rank 0/64} MD step = 141200 step time: 00:00:00.412638 Performance: 35.830 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 13:10:46,221 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141200 28240 159.57 8298.2 17489 -9190.6 -9190.6 7.1456 7.1836 3.3393 66039 2024-05-08 13:11:29,975 INFO [main.py:798]
{rank 0/64} MD step = 141300 step time: 00:00:00.434453 Performance: 35.828 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 13:11:37,156 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141300 28260 160.48 8343.4 17589 -9245.3 -9245.3 7.152 7.1893 3.3406 66063 2024-05-08 13:12:15,195 INFO [main.py:798]
{rank 0/64} MD step = 141400 step time: 00:00:00.364535 Performance: 35.829 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 13:12:23,102 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141400 28280 157.9 8169.4 17306 -9136.8 -9136.8 7.1562 7.1936 3.3418 66134 2024-05-08 13:13:01,384 INFO [main.py:798]
{rank 0/64} MD step = 141500 step time: 00:00:00.377684 Performance: 35.830 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 13:13:08,835 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141500 28300 157.44 8116.2 17255 -9139.2 -9139.2 7.1607 7.1981 3.3435 66162 2024-05-08 13:13:47,628 INFO [main.py:798]
{rank 0/64} MD step = 141600 step time: 00:00:00.384987 Performance: 35.831 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 13:13:54,206 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141600 28320 162.43 8576.1 17803 -9226.6 -9226.6 7.1662 7.2034 3.3461 66206 2024-05-08 13:14:33,114 INFO [main.py:798]
{rank 0/64} MD step = 141700 step time: 00:00:00.404310 Performance: 35.833 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 13:14:40,158 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141700 28340 161.56 8574.6 17707 -9132.3 -9132.3 7.1706 7.2095 3.3491 66260 2024-05-08 13:15:17,472 INFO [main.py:798]
{rank 0/64} MD step = 141800 step time: 00:00:00.388714 Performance: 35.835 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 13:15:25,310 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141800 28360 159.29 8242.5 17459 -9216.2 -9216.2 7.1737 7.2175 3.3506 66269 2024-05-08 13:16:04,852 INFO [main.py:798]
{rank 0/64} MD step = 141900 step time: 00:00:00.426279 Performance: 35.835 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 13:16:11,244 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 141900 28380 159.46 8263.9 17477 -9213.6 -9213.6 7.1788 7.2215 3.3539 66316 2024-05-08 13:16:51,639 INFO [main.py:798]
{rank 0/64} MD step = 142000 step time: 00:00:00.381990 Performance: 35.836 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 13:16:59,413 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 142000 28400 161.48 8520.2 17699 -9178.4 -9178.4 7.1818 7.2268 3.3557 66358 2024-05-08 13:17:38,311 INFO [main.py:798]
{rank 0/64} MD step = 142100 step time: 00:00:00.374567 Performance: 35.837 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 13:17:46,361 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 142100 28420 158.9 8148.7 17416 -9267 -9267 7.1863 7.2311 3.359 66396 2024-05-08 13:18:25,326 INFO [main.py:798]
{rank 0/64} MD step = 142200 step time: 00:00:00.383229 Performance: 35.837 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 13:18:31,434 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 142200 28440 161.09 8450.8 17656 -9205.2 -9205.2 7.1906 7.2337 3.3647 66467 2024-05-08 13:19:09,887 INFO [main.py:798]
{rank 0/64} MD step = 142300 step time: 00:00:00.389168 Performance: 35.839 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 13:19:24,988 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 142300 28460 161.41 8410.5 17691 -9280.1 -9280.1 7.196 7.2369 3.3663 66492 2024-05-08 13:20:04,040 INFO [main.py:798]
{rank 0/64} MD step = 142400 step time: 00:00:00.396271 Performance: 35.836 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 13:20:11,056 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 142400 28480 159.49 8243.9 17480 -9236.4 -9236.4 7.2025 7.2423 3.3707 66523 2024-05-08 13:20:49,148 INFO [main.py:798]
{rank 0/64} MD step = 142500 step time: 00:00:00.388206 Performance: 35.838 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 13:20:55,736 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 142500 28500 160.68 8486.8 17611 -9124 -9124 7.2088 7.2489 3.3718 66608 2024-05-08 13:21:34,249 INFO [main.py:798]
{rank 0/64} MD step = 142600 step time: 00:00:00.386509 Performance: 35.840 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 13:21:46,280 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 142600 28520 159.21 8247.4 17450 -9202.4 -9202.4 7.2158 7.2539 3.3735 66613 2024-05-08 13:22:25,338 INFO [main.py:798]
{rank 0/64} MD step = 142700 step time: 00:00:00.405525 Performance: 35.838 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 13:22:31,997 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 142700 28540 157.99 8151.8 17316 -9164.5 -9164.5 7.2225 7.2582 3.3753 66671 2024-05-08 13:23:10,222 INFO [main.py:798]
{rank 0/64} MD step = 142800 step time: 00:00:00.399152 Performance: 35.840 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 13:23:23,360 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 142800 28560 160.09 8323.7 17546 -9221.9 -9221.9 7.2279 7.2634 3.3771 66723 2024-05-08 13:24:03,183 INFO [main.py:798]
{rank 0/64} MD step = 142900 step time: 00:00:00.383483 Performance: 35.837 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 13:24:09,576 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 142900 28580 158.3 8189.2 17350 -9160.6 -9160.6 7.2323 7.2682 3.3809 66784 2024-05-08 13:24:48,998 INFO [main.py:798]
{rank 0/64} MD step = 143000 step time: 00:00:00.422868 Performance: 35.839 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 13:24:54,574 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 143000 28600 161.53 8445.3 17703 -9258.1 -9258.1 7.2384 7.2733 3.3821 66818 2024-05-08 13:25:34,519 INFO [main.py:798]
{rank 0/64} MD step = 143100 step time: 00:00:00.386179 Performance: 35.840 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 13:25:41,013 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 143100 28620 158.33 8165.6 17353 -9187.2 -9187.2 7.2419 7.2764 3.383 66884 2024-05-08 13:26:19,439 INFO [main.py:798]
{rank 0/64} MD step = 143200 step time: 00:00:00.387186 Performance: 35.842 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 13:26:27,612 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 143200 28640 160.55 8451.8 17597 -9145.1 -9145.1 7.2463 7.2819 3.3853 66915 2024-05-08 13:27:06,300 INFO [main.py:798]
{rank 0/64} MD step = 143300 step time: 00:00:00.398836 Performance: 35.842 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 13:27:14,624 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 143300 28660 159.41 8178.2 17471 -9292.8 -9292.8 7.2512 7.2868 3.3884 66970 2024-05-08 13:27:54,241 INFO [main.py:798]
{rank 0/64} MD step = 143400 step time: 00:00:00.400132 Performance: 35.842 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 13:28:01,935 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 143400 28680 160.62 8367 17604 -9237.4 -9237.4 7.257 7.2917 3.3909 67018 2024-05-08 13:28:41,052 INFO [main.py:798]
{rank 0/64} MD step = 143500 step time: 00:00:00.372606 Performance: 35.843 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 13:28:58,451 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 143500 28700 159.93 8282.6 17528 -9245.4 -9245.4 7.2619 7.298 3.3931 67040 2024-05-08 13:29:37,027 INFO [main.py:798]
{rank 0/64} MD step = 143600 step time: 00:00:00.374501 Performance: 35.839 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 13:29:43,905 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 143600 28720 159.58 8215.1 17491 -9275.5 -9275.5 7.2679 7.3036 3.3936 67084 2024-05-08 13:30:22,410 INFO [main.py:798]
{rank 0/64} MD step = 143700 step time: 00:00:00.375314 Performance: 35.841 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 13:30:28,687 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 143700 28740 160.86 8464.9 17631 -9165.9 -9165.9 7.273 7.3072 3.3957 67149 2024-05-08 13:31:08,069 INFO [main.py:798]
{rank 0/64} MD step = 143800 step time: 00:00:00.387906 Performance: 35.842 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 13:31:14,355 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 143800 28760 160.72 8419.6 17615 -9195.5 -9195.5 7.279 7.3125 3.3997 67201 2024-05-08 13:31:53,971 INFO [main.py:798]
{rank 0/64} MD step = 143900 step time: 00:00:00.403083 Performance: 35.843 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 13:32:05,131 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 143900 28780 159.65 8274.5 17498 -9223.7 -9223.7 7.285 7.317 3.4032 67242 2024-05-08 13:32:42,817 INFO [main.py:798]
{rank 0/64} MD step = 144000 step time: 00:00:00.350290 Performance: 35.843 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 13:32:55,868 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144000 28800 157.87 8065.3 17303 -9237.8 -9237.8 7.2892 7.3204 3.4043 67310 2024-05-08 13:33:35,256 INFO [main.py:798]
{rank 0/64} MD step = 144100 step time: 00:00:00.369917 Performance: 35.841 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 13:33:42,310 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144100 28820 160.68 8388.6 17611 -9222.5 -9222.5 7.2946 7.3255 3.407 67353 2024-05-08 13:34:23,178 INFO [main.py:798]
{rank 0/64} MD step = 144200 step time: 00:00:00.394925 Performance: 35.841 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 13:34:29,669 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144200 28840 160.03 8273.6 17540 -9266.2 -9266.2 7.299 7.3306 3.4068 67389 2024-05-08 13:35:08,875 INFO [main.py:798]
{rank 0/64} MD step = 144300 step time: 00:00:00.373626 Performance: 35.842 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 13:35:15,427 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144300 28860 160.86 8432.3 17631 -9198.5 -9198.5 7.3054 7.3358 3.4081 67421 2024-05-08 13:35:54,165 INFO [main.py:798]
{rank 0/64} MD step = 144400 step time: 00:00:00.390556 Performance: 35.844 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 13:36:00,222 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144400 28880 158.88 8221.1 17414 -9192.8 -9192.8 7.3115 7.3403 3.4091 67497 2024-05-08 13:36:39,541 INFO [main.py:798]
{rank 0/64} MD step = 144500 step time: 00:00:00.390241 Performance: 35.845 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 13:36:47,296 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144500 28900 160.32 8343.5 17571 -9227.7 -9227.7 7.3174 7.3462 3.4115 67532 2024-05-08 13:37:26,314 INFO [main.py:798]
{rank 0/64} MD step = 144600 step time: 00:00:00.396640 Performance: 35.846 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 13:37:36,992 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144600 28920 160.95 8449.4 17640 -9190.6 -9190.6 7.321 7.3516 3.4142 67592 2024-05-08 13:38:15,782 INFO [main.py:798]
{rank 0/64} MD step = 144700 step time: 00:00:00.371047 Performance: 35.845 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 13:38:25,053 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144700 28940 161.83 8618.2 17737 -9118.6 -9118.6 7.3281 7.3585 3.4157 67617 2024-05-08 13:39:03,460 INFO [main.py:798]
{rank 0/64} MD step = 144800 step time: 00:00:00.391783 Performance: 35.845 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 13:40:20,225 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144800 28960 161.22 8381.5 17670 -9288.7 -9288.7 7.3323 7.3631 3.4191 67652 2024-05-08 13:40:59,062 INFO [main.py:798]
{rank 0/64} MD step = 144900 step time: 00:00:00.397723 Performance: 35.811 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-08 13:41:08,966 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 144900 28980 160.2 8396.3 17559 -9162.3 -9162.3 7.3368 7.3692 3.4211 67710 2024-05-08 13:41:47,210 INFO [main.py:798]
{rank 0/64} MD step = 145000 step time: 00:00:00.346915 Performance: 35.811 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-08 13:41:53,262 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 145000 29000 161.19 8452.1 17666 -9214.2 -9214.2 7.3422 7.3735 3.424 67737 2024-05-08 13:42:33,224 INFO [main.py:798]
{rank 0/64} MD step = 145100 step time: 00:00:00.386546 Performance: 35.812 ns/day 0.670 hours/ns 2.072 steps/s 2024-05-08 13:42:39,898 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 145100 29020 160.53 8431 17594 -9163 -9163 7.3459 7.3789 3.4263 67778 2024-05-08 13:43:19,631 INFO [main.py:798]
{rank 0/64} MD step = 145200 step time: 00:00:00.382544 Performance: 35.813 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 13:43:28,532 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 145200 29040 161.4 8368.8 17689 -9320.5 -9320.5 7.3502 7.3849 3.4303 67810 2024-05-08 13:44:07,939 INFO [main.py:798]
{rank 0/64} MD step = 145300 step time: 00:00:00.361132 Performance: 35.813 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 13:44:12,970 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 145300 29060 159.51 8340 17483 -9142.9 -9142.9 7.3558 7.391 3.43 67906 2024-05-08 13:44:53,845 INFO [main.py:798]
{rank 0/64} MD step = 145400 step time: 00:00:00.380268 Performance: 35.814 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 13:45:03,345 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 145400 29080 160.57 8313.9 17599 -9284.8 -9284.8 7.3635 7.3962 3.4315 67918 2024-05-08 13:45:42,756 INFO [main.py:798]
{rank 0/64} MD step = 145500 step time: 00:00:00.402742 Performance: 35.814 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 13:45:48,167 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 145500 29100 158.4 8147.1 17360 -9213.3 -9213.3 7.3702 7.4019 3.433 67947 2024-05-08 13:46:28,514 INFO [main.py:798]
{rank 0/64} MD step = 145600 step time: 00:00:00.411988 Performance: 35.815 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 13:46:37,482 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 145600 29120 158.35 8127.4 17356 -9228.3 -9228.3 7.3762 7.4053 3.4351 68009 2024-05-08 13:47:14,943 INFO [main.py:798]
{rank 0/64} MD step = 145700 step time: 00:00:00.388313 Performance: 35.816 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 13:47:20,658 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 145700 29140 160.7 8452.4 17613 -9160.4 -9160.4 7.3826 7.4114 3.4382 68024 2024-05-08 13:48:00,483 INFO [main.py:798]
{rank 0/64} MD step = 145800 step time: 00:00:01.055778 Performance: 35.817 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 13:48:07,087 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 145800 29160 159.02 8246.3 17429 -9182.9 -9182.9 7.3884 7.4174 3.4399 68096 2024-05-08 13:48:46,190 INFO [main.py:798]
{rank 0/64} MD step = 145900 step time: 00:00:00.349158 Performance: 35.819 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 13:48:54,122 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 145900 29180 160.43 8355.2 17583 -9227.9 -9227.9 7.3926 7.4202 3.4428 68112 2024-05-08 13:49:32,122 INFO [main.py:798]
{rank 0/64} MD step = 146000 step time: 00:00:00.346712 Performance: 35.820 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 13:49:41,762 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146000 29200 163.27 8729.6 17894 -9164.8 -9164.8 7.3969 7.4249 3.4462 68196 2024-05-08 13:50:20,494 INFO [main.py:798]
{rank 0/64} MD step = 146100 step time: 00:00:00.348355 Performance: 35.820 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 13:50:26,278 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146100 29220 158.96 8296.5 17422 -9125.4 -9125.4 7.4025 7.4312 3.4482 68224 2024-05-08 13:51:06,807 INFO [main.py:798]
{rank 0/64} MD step = 146200 step time: 00:00:00.408965 Performance: 35.821 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 13:51:14,471 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146200 29240 159.32 8258.2 17462 -9203.5 -9203.5 7.4089 7.4361 3.4501 68269 2024-05-08 13:51:53,108 INFO [main.py:798]
{rank 0/64} MD step = 146300 step time: 00:00:00.388414 Performance: 35.822 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 13:52:04,447 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146300 29260 162.3 8621.8 17788 -9166.2 -9166.2 7.4157 7.441 3.4535 68338 2024-05-08 13:52:41,929 INFO [main.py:798]
{rank 0/64} MD step = 146400 step time: 00:00:00.387957 Performance: 35.821 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 13:52:48,973 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146400 29280 160.12 8347.7 17549 -9201.3 -9201.3 7.4199 7.446 3.4562 68367 2024-05-08 13:53:28,460 INFO [main.py:798]
{rank 0/64} MD step = 146500 step time: 00:00:00.384502 Performance: 35.822 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 13:53:37,153 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146500 29300 158.93 8234.9 17419 -9183.8 -9183.8 7.4275 7.4502 3.4598 68392 2024-05-08 13:54:16,410 INFO [main.py:798]
{rank 0/64} MD step = 146600 step time: 00:00:00.381564 Performance: 35.822 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 13:54:22,664 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146600 29320 158.24 8169.3 17344 -9174.2 -9174.2 7.4333 7.4562 3.4627 68448 2024-05-08 13:55:03,668 INFO [main.py:798]
{rank 0/64} MD step = 146700 step time: 00:00:00.454589 Performance: 35.823 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 13:55:10,147 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146700 29340 161.68 8504.8 17720 -9215.1 -9215.1 7.436 7.4603 3.4653 68500 2024-05-08 13:55:49,325 INFO [main.py:798]
{rank 0/64} MD step = 146800 step time: 00:00:00.387946 Performance: 35.824 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 13:55:56,799 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146800 29360 158.01 8080.8 17318 -9236.9 -9236.9 7.4422 7.4682 3.468 68535 2024-05-08 13:56:35,719 INFO [main.py:798]
{rank 0/64} MD step = 146900 step time: 00:00:00.372437 Performance: 35.825 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 13:56:42,134 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 146900 29380 160.07 8347.6 17544 -9196 -9196 7.4475 7.4734 3.4701 68593 2024-05-08 13:57:20,411 INFO [main.py:798]
{rank 0/64} MD step = 147000 step time: 00:00:00.356535 Performance: 35.827 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 13:57:32,397 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147000 29400 162 8582.4 17756 -9173.1 -9173.1 7.451 7.4779 3.4716 68648 2024-05-08 13:58:11,514 INFO [main.py:798]
{rank 0/64} MD step = 147100 step time: 00:00:00.365794 Performance: 35.826 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 13:58:18,179 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147100 29420 160.69 8260.6 17612 -9351.5 -9351.5 7.4543 7.4825 3.4743 68668 2024-05-08 13:58:56,771 INFO [main.py:798]
{rank 0/64} MD step = 147200 step time: 00:00:00.400781 Performance: 35.827 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 13:59:03,518 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147200 29440 159.25 8383.1 17454 -9071 -9071 7.4591 7.4881 3.4766 68767 2024-05-08 13:59:45,028 INFO [main.py:798]
{rank 0/64} MD step = 147300 step time: 00:00:00.365500 Performance: 35.827 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 13:59:50,194 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147300 29460 159.93 8298.7 17529 -9229.9 -9229.9 7.4662 7.4937 3.4786 68766 2024-05-08 14:00:29,615 INFO [main.py:798]
{rank 0/64} MD step = 147400 step time: 00:00:00.398616 Performance: 35.829 ns/day 0.670 hours/ns 2.073 steps/s 2024-05-08 14:00:35,295 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147400 29480 160.33 8366.7 17572 -9205.2 -9205.2 7.4712 7.4984 3.4785 68825 2024-05-08 14:01:13,433 INFO [main.py:798]
{rank 0/64} MD step = 147500 step time: 00:00:00.395980 Performance: 35.831 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 14:01:20,105 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147500 29500 160.69 8439 17612 -9173.1 -9173.1 7.4756 7.5046 3.4796 68895 2024-05-08 14:01:59,187 INFO [main.py:798]
{rank 0/64} MD step = 147600 step time: 00:00:00.406793 Performance: 35.832 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 14:02:06,038 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147600 29520 156.8 7948.3 17185 -9236.8 -9236.8 7.4805 7.5085 3.4827 68964 2024-05-08 14:02:45,097 INFO [main.py:798]
{rank 0/64} MD step = 147700 step time: 00:00:00.410822 Performance: 35.834 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 14:02:50,604 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147700 29540 159.27 8298.9 17457 -9157.8 -9157.8 7.4846 7.515 3.4852 68994 2024-05-08 14:03:31,393 INFO [main.py:798]
{rank 0/64} MD step = 147800 step time: 00:00:00.384804 Performance: 35.834 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 14:03:38,094 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147800 29560 158.79 8226.6 17404 -9177.3 -9177.3 7.4899 7.5223 3.4875 69047 2024-05-08 14:04:16,367 INFO [main.py:798]
{rank 0/64} MD step = 147900 step time: 00:00:00.396319 Performance: 35.836 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 14:04:23,297 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 147900 29580 159.52 8196.7 17484 -9287.1 -9287.1 7.4969 7.5257 3.4907 69092 2024-05-08 14:05:05,280 INFO [main.py:798]
{rank 0/64} MD step = 148000 step time: 00:00:00.375003 Performance: 35.836 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 14:05:12,204 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148000 29600 159.23 8263.8 17452 -9188.1 -9188.1 7.5015 7.5304 3.4926 69148 2024-05-08 14:05:51,424 INFO [main.py:798]
{rank 0/64} MD step = 148100 step time: 00:00:00.368341 Performance: 35.837 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 14:06:00,141 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148100 29620 162.92 8566 17856 -9290 -9290 7.5069 7.5358 3.4938 69206 2024-05-08 14:06:40,233 INFO [main.py:798]
{rank 0/64} MD step = 148200 step time: 00:00:00.407078 Performance: 35.837 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 14:06:46,747 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148200 29640 158.82 8124.5 17407 -9282.4 -9282.4 7.5107 7.5428 3.4947 69220 2024-05-08 14:07:25,486 INFO [main.py:798]
{rank 0/64} MD step = 148300 step time: 00:00:00.364205 Performance: 35.838 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 14:07:31,252 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148300 29660 158.35 8200.9 17356 -9155 -9155 7.5177 7.5453 3.4973 69266 2024-05-08 14:08:11,298 INFO [main.py:798]
{rank 0/64} MD step = 148400 step time: 00:00:00.350352 Performance: 35.839 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 14:08:25,196 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148400 29680 160.52 8340 17593 -9252.7 -9252.7 7.5206 7.5488 3.5007 69341 2024-05-08 14:09:03,710 INFO [main.py:798]
{rank 0/64} MD step = 148500 step time: 00:00:00.413495 Performance: 35.837 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 14:09:08,363 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148500 29700 157.94 8115.2 17310 -9195 -9195 7.525 7.5525 3.5042 69385 2024-05-08 14:09:47,741 INFO [main.py:798]
{rank 0/64} MD step = 148600 step time: 00:00:00.390396 Performance: 35.839 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 14:09:54,941 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148600 29720 161.25 8369.1 17673 -9304.2 -9304.2 7.531 7.5594 3.5046 69376 2024-05-08 14:10:33,245 INFO [main.py:798]
{rank 0/64} MD step = 148700 step time: 00:00:00.383846 Performance: 35.841 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 14:10:42,323 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148700 29740 160.92 8485.7 17637 -9151.1 -9151.1 7.5361 7.5643 3.5055 69434 2024-05-08 14:11:21,828 INFO [main.py:798]
{rank 0/64} MD step = 148800 step time: 00:00:00.410348 Performance: 35.840 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 14:11:29,044 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148800 29760 160.59 8441 17600 -9159.4 -9159.4 7.5398 7.5702 3.5074 69470 2024-05-08 14:12:07,938 INFO [main.py:798]
{rank 0/64} MD step = 148900 step time: 00:00:00.379777 Performance: 35.841 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 14:12:15,638 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 148900 29780 162.37 8593.6 17796 -9202.1 -9202.1 7.545 7.5748 3.5078 69532 2024-05-08 14:12:54,332 INFO [main.py:798]
{rank 0/64} MD step = 149000 step time: 00:00:00.399427 Performance: 35.842 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 14:13:03,096 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 149000 29800 159.72 8281.6 17506 -9224.3 -9224.3 7.5494 7.5807 3.5087 69567 2024-05-08 14:13:41,405 INFO [main.py:798]
{rank 0/64} MD step = 149100 step time: 00:00:00.378004 Performance: 35.843 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 14:13:48,748 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 149100 29820 159.14 8208 17442 -9233.9 -9233.9 7.5546 7.5858 3.513 69637 2024-05-08 14:14:27,282 INFO [main.py:798]
{rank 0/64} MD step = 149200 step time: 00:00:00.374737 Performance: 35.844 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 14:14:37,256 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 149200 29840 160.71 8412.6 17614 -9201.2 -9201.2 7.5616 7.5911 3.5156 69643 2024-05-08 14:15:14,888 INFO [main.py:798]
{rank 0/64} MD step = 149300 step time: 00:00:00.383379 Performance: 35.844 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 14:15:28,472 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 149300 29860 158.87 8284.4 17412 -9127.9 -9127.9 7.567 7.5961 3.5166 69707 2024-05-08 14:16:07,221 INFO [main.py:798]
{rank 0/64} MD step = 149400 step time: 00:00:00.391982 Performance: 35.842 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 14:16:15,773 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 149400 29880 159.43 8266.4 17473 -9207 -9207 7.5726 7.6012 3.5184 69747 2024-05-08 14:16:53,557 INFO [main.py:798]
{rank 0/64} MD step = 149500 step time: 00:00:00.405410 Performance: 35.843 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 14:17:01,730 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 149500 29900 161.84 8689.9 17738 -9048.1 -9048.1 7.5767 7.6077 3.5188 69786 2024-05-08 14:17:42,662 INFO [main.py:798]
{rank 0/64} MD step = 149600 step time: 00:00:00.397726 Performance: 35.843 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 14:17:49,623 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 149600 29920 160.32 8302.5 17571 -9268.9 -9268.9 7.5827 7.6124 3.5215 69807 2024-05-08 14:18:30,336 INFO [main.py:798]
{rank 0/64} MD step = 149700 step time: 00:00:00.427004 Performance: 35.843 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 14:18:36,775 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 149700 29940 158.51 8143.5 17373 -9229.9 -9229.9 7.5893 7.6156 3.5245 69852 2024-05-08 14:19:15,940 INFO [main.py:798]
{rank 0/64} MD step = 149800 step time: 00:00:00.393337 Performance: 35.844 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 14:19:20,402 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 149800 29960 160.21 8406.1 17560 -9153.5 -9153.5 7.5955 7.6209 3.5278 69938 2024-05-08 14:20:00,996 INFO [main.py:798]
{rank 0/64} MD step = 149900 step time: 00:00:00.398573 Performance: 35.846 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 14:20:09,342 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 149900 29980 160.19 8351.4 17557 -9205.6 -9205.6 7.5997 7.6276 3.5299 69948 2024-05-08 14:20:48,218 INFO [main.py:798]
{rank 0/64} MD step = 150000 step time: 00:00:00.393944 Performance: 35.846 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 14:20:55,567 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 150000 30000 159.87 8307.1 17522 -9214.5 -9214.5 7.6025 7.6328 3.532 70003 2024-05-08 14:21:32,710 INFO [main.py:798]
{rank 0/64} MD step = 150100 step time: 00:00:00.360978 Performance: 35.848 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 14:21:38,928 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 150100 30020 159.2 8329.8 17449 -9118.8 -9118.8 7.6073 7.6371 3.5354 70069 2024-05-08 14:22:17,398 INFO [main.py:798]
{rank 0/64} MD step = 150200 step time: 00:00:00.396220 Performance: 35.850 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 14:22:25,908 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 150200 30040 162.57 8716.4 17817 -9101 -9101 7.613 7.642 3.5388 70112 2024-05-08 14:23:05,533 INFO [main.py:798]
{rank 0/64} MD step = 150300 step time: 00:00:00.391167 Performance: 35.850 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 14:23:13,139 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 150300 30060 161.3 8426.8 17679 -9251.8 -9251.8 7.6173 7.6487 3.5423 70168 2024-05-08 14:23:52,017 INFO [main.py:798]
{rank 0/64} MD step = 150400 step time: 00:00:00.382351 Performance: 35.851 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 14:24:01,367 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 150400 30080 158.64 8215.8 17387 -9171.4 -9171.4 7.6244 7.6543 3.5453 70242 2024-05-08 14:24:39,633 INFO [main.py:798]
{rank 0/64} MD step = 150500 step time: 00:00:00.369377 Performance: 35.851 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 14:24:46,024 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 150500 30100 158.58 8209.9 17381 -9170.8 -9170.8 7.6283 7.658 3.5463 70277 2024-05-08 14:25:24,321 INFO [main.py:798]
{rank 0/64} MD step = 150600 step time: 00:00:00.375876 Performance: 35.853 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 14:25:29,818 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 150600 30120 157.72 8093.2 17286 -9193.2 -9193.2 7.6346 7.6635 3.5479 70305 2024-05-08 14:26:11,349 INFO [main.py:798]
{rank 0/64} MD step = 150700 step time: 00:00:00.377803 Performance: 35.853 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 14:26:16,959 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 150700 30140 161.48 8501 17698 -9197.1 -9197.1 7.6384 7.6707 3.55 70385 2024-05-08 14:26:56,150 INFO [main.py:798]
{rank 0/64} MD step = 150800 step time: 00:00:00.394646 Performance: 35.855 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 14:27:02,371 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 150800 30160 158.29 8112.3 17349 -9237 -9237 7.6408 7.6758 3.5527 70415 2024-05-08 14:27:40,298 INFO [main.py:798]
{rank 0/64} MD step = 150900 step time: 00:00:00.388690 Performance: 35.857 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 14:27:46,265 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 150900 30180 164 8705.3 17975 -9269.3 -9269.3 7.6465 7.6798 3.5547 70466 2024-05-08 14:28:26,100 INFO [main.py:798]
{rank 0/64} MD step = 151000 step time: 00:00:00.444122 Performance: 35.858 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 14:28:31,889 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 151000 30200 161.79 8559.5 17732 -9172.8 -9172.8 7.6506 7.6855 3.5584 70494 2024-05-08 14:29:10,426 INFO [main.py:798]
{rank 0/64} MD step = 151100 step time: 00:00:00.392989 Performance: 35.860 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 14:29:17,866 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 151100 30220 161.29 8354.6 17678 -9323 -9323 7.6555 7.6893 3.5602 70556 2024-05-08 14:29:56,521 INFO [main.py:798]
{rank 0/64} MD step = 151200 step time: 00:00:00.431196 Performance: 35.861 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 14:30:03,667 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 151200 30240 160.03 8340.9 17540 -9198.7 -9198.7 7.6601 7.6929 3.5638 70603 2024-05-08 14:30:42,236 INFO [main.py:798]
{rank 0/64} MD step = 151300 step time: 00:00:00.393109 Performance: 35.862 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 14:30:47,333 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 151300 30260 159.94 8197.2 17530 -9332.6 -9332.6 7.6659 7.6981 3.5668 70646 2024-05-08 14:31:28,262 INFO [main.py:798]
{rank 0/64} MD step = 151400 step time: 00:00:00.398762 Performance: 35.864 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 14:31:35,439 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 151400 30280 162.28 8524.5 17786 -9261.8 -9261.8 7.6698 7.7018 3.5701 70697 2024-05-08 14:32:14,590 INFO [main.py:798]
{rank 0/64} MD step = 151500 step time: 00:00:00.392611 Performance: 35.864 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 14:32:21,236 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 151500 30300 156.97 7914.5 17204 -9289.9 -9289.9 7.6745 7.7093 3.5728 70717 2024-05-08 14:32:59,486 INFO [main.py:798]
{rank 0/64} MD step = 151600 step time: 00:00:00.391322 Performance: 35.866 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 14:33:09,588 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 151600 30320 159 8308.7 17427 -9118 -9118 7.6798 7.7146 3.5733 70804 2024-05-08 14:33:49,092 INFO [main.py:798]
{rank 0/64} MD step = 151700 step time: 00:00:00.400244 Performance: 35.865 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 14:33:53,316 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 151700 30340 159.49 8314.1 17480 -9166 -9166 7.6843 7.7198 3.5786 70833 2024-05-08 14:34:33,132 INFO [main.py:798]
{rank 0/64} MD step = 151800 step time: 00:00:00.403162 Performance: 35.867 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 14:34:39,159 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 151800 30360 161.31 8469.5 17679 -9209.9 -9209.9 7.6898 7.7255 3.5796 70854 2024-05-08 14:35:18,591 INFO [main.py:798]
{rank 0/64} MD step = 151900 step time: 00:00:00.379786 Performance: 35.869 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 14:35:27,900 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 151900 30380 160.64 8399 17607 -9207.8 -9207.8 7.6961 7.7308 3.5799 70925 2024-05-08 14:36:05,138 INFO [main.py:798]
{rank 0/64} MD step = 152000 step time: 00:00:00.383639 Performance: 35.870 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 14:36:11,320 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 152000 30400 161.36 8518.4 17685 -9166.3 -9166.3 7.7027 7.7365 3.5831 70992 2024-05-08 14:36:51,607 INFO [main.py:798]
{rank 0/64} MD step = 152100 step time: 00:00:00.424424 Performance: 35.870 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 14:36:57,556 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 152100 30420 157.73 8144 17288 -9143.7 -9143.7 7.7074 7.7416 3.5877 71013 2024-05-08 14:37:36,217 INFO [main.py:798]
{rank 0/64} MD step = 152200 step time: 00:00:00.368813 Performance: 35.872 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 14:37:46,060 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 152200 30440 162.41 8572 17800 -9228.4 -9228.4 7.7137 7.7472 3.5921 71052 2024-05-08 14:38:24,446 INFO [main.py:798]
{rank 0/64} MD step = 152300 step time: 00:00:00.373906 Performance: 35.872 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 14:38:37,768 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 152300 30460 159.82 8328.5 17517 -9188.1 -9188.1 7.7178 7.7513 3.5939 71116 2024-05-08 14:39:14,530 INFO [main.py:798]
{rank 0/64} MD step = 152400 step time: 00:00:00.397749 Performance: 35.871 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 14:39:21,391 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 152400 30480 160.35 8439.6 17575 -9135.1 -9135.1 7.722 7.7557 3.5959 71168 2024-05-08 14:40:00,257 INFO [main.py:798]
{rank 0/64} MD step = 152500 step time: 00:00:00.399416 Performance: 35.872 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 14:40:10,170 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 152500 30500 159.06 8352.4 17433 -9080.2 -9080.2 7.7274 7.7609 3.5978 71191 2024-05-08 14:40:50,894 INFO [main.py:798]
{rank 0/64} MD step = 152600 step time: 00:00:00.410037 Performance: 35.871 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 14:40:59,031 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 152600 30520 161.91 8580 17746 -9165.5 -9165.5 7.7325 7.7673 3.5997 71230 2024-05-08 14:41:37,132 INFO [main.py:798]
{rank 0/64} MD step = 152700 step time: 00:00:00.393303 Performance: 35.872 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 14:41:44,516 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 152700 30540 159.43 8227.8 17474 -9246.4 -9246.4 7.7381 7.7722 3.6033 71274 2024-05-08 14:42:26,396 INFO [main.py:798]
{rank 0/64} MD step = 152800 step time: 00:00:00.409986 Performance: 35.872 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 14:42:35,614 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 152800 30560 160.65 8353.8 17607 -9253.5 -9253.5 7.7427 7.7791 3.6066 71295 2024-05-08 14:43:12,910 INFO [main.py:798]
{rank 0/64} MD step = 152900 step time: 00:00:00.390405 Performance: 35.872 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 14:43:17,910 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 152900 30580 160.6 8454.5 17602 -9147.9 -9147.9 7.7467 7.783 3.6091 71380 2024-05-08 14:43:57,042 INFO [main.py:798]
{rank 0/64} MD step = 153000 step time: 00:00:00.374477 Performance: 35.874 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 14:45:05,271 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153000 30600 158.24 8248.6 17344 -9094.9 -9094.9 7.7525 7.7883 3.6106 71410 2024-05-08 14:45:45,940 INFO [main.py:798]
{rank 0/64} MD step = 153100 step time: 00:00:00.384528 Performance: 35.845 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 14:45:52,217 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153100 30620 160.11 8333 17548 -9215.2 -9215.2 7.7592 7.7933 3.6138 71444 2024-05-08 14:46:31,582 INFO [main.py:798]
{rank 0/64} MD step = 153200 step time: 00:00:00.372950 Performance: 35.846 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 14:46:39,884 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153200 30640 158.35 8141.7 17355 -9213.6 -9213.6 7.7644 7.7977 3.614 71516 2024-05-08 14:47:20,273 INFO [main.py:798]
{rank 0/64} MD step = 153300 step time: 00:00:00.356325 Performance: 35.846 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 14:47:27,591 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153300 30660 158.87 8229.7 17413 -9183.2 -9183.2 7.7686 7.801 3.6175 71545 2024-05-08 14:48:06,952 INFO [main.py:798]
{rank 0/64} MD step = 153400 step time: 00:00:00.370153 Performance: 35.847 ns/day 0.670 hours/ns 2.074 steps/s 2024-05-08 14:48:13,859 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153400 30680 160.23 8295.7 17561 -9265.8 -9265.8 7.7749 7.8068 3.6204 71595 2024-05-08 14:48:53,173 INFO [main.py:798]
{rank 0/64} MD step = 153500 step time: 00:00:00.346127 Performance: 35.847 ns/day 0.670 hours/ns 2.075 steps/s 2024-05-08 14:49:01,492 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153500 30700 157.29 8091.1 17239 -9148.2 -9148.2 7.7791 7.8107 3.622 71604 2024-05-08 14:49:40,487 INFO [main.py:798]
{rank 0/64} MD step = 153600 step time: 00:00:00.339134 Performance: 35.848 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 14:49:47,017 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153600 30720 160.98 8447.7 17644 -9196.2 -9196.2 7.7856 7.817 3.6246 71650 2024-05-08 14:50:24,627 INFO [main.py:798]
{rank 0/64} MD step = 153700 step time: 00:00:00.361735 Performance: 35.850 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 14:50:31,628 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153700 30740 160.78 8427.6 17621 -9193.8 -9193.8 7.7905 7.8232 3.6276 71689 2024-05-08 14:51:10,785 INFO [main.py:798]
{rank 0/64} MD step = 153800 step time: 00:00:00.406976 Performance: 35.851 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 14:51:16,729 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153800 30760 159.96 8330.5 17532 -9201.2 -9201.2 7.795 7.8305 3.6305 71734 2024-05-08 14:51:55,311 INFO [main.py:798]
{rank 0/64} MD step = 153900 step time: 00:00:00.401198 Performance: 35.853 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 14:52:02,823 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 153900 30780 159.04 8274.9 17431 -9155.7 -9155.7 7.801 7.8358 3.6337 71802 2024-05-08 14:52:42,878 INFO [main.py:798]
{rank 0/64} MD step = 154000 step time: 00:00:00.406315 Performance: 35.853 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 14:52:52,636 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 154000 30800 159.66 8289.1 17499 -9209.7 -9209.7 7.8073 7.8429 3.6346 71820 2024-05-08 14:53:33,520 INFO [main.py:798]
{rank 0/64} MD step = 154100 step time: 00:00:00.444720 Performance: 35.852 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 14:53:39,912 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 154100 30820 159.11 8254.2 17439 -9184.7 -9184.7 7.8124 7.8469 3.6387 71894 2024-05-08 14:54:18,961 INFO [main.py:798]
{rank 0/64} MD step = 154200 step time: 00:00:00.398496 Performance: 35.853 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 14:54:24,290 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 154200 30840 163.09 8705.3 17875 -9169.8 -9169.8 7.8199 7.852 3.6427 71925 2024-05-08 14:55:03,221 INFO [main.py:798]
{rank 0/64} MD step = 154300 step time: 00:00:00.408243 Performance: 35.855 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 14:55:13,467 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 154300 30860 159.68 8304.1 17501 -9196.8 -9196.8 7.8253 7.8577 3.6434 72015 2024-05-08 14:55:50,291 INFO [main.py:798]
{rank 0/64} MD step = 154400 step time: 00:00:00.362884 Performance: 35.856 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 14:55:59,056 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 154400 30880 161.21 8516.3 17669 -9152.3 -9152.3 7.8296 7.8606 3.6463 72066 2024-05-08 14:56:39,098 INFO [main.py:798]
{rank 0/64} MD step = 154500 step time: 00:00:00.374300 Performance: 35.855 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 14:56:45,962 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 154500 30900 162.16 8452.7 17773 -9320.2 -9320.2 7.8357 7.8643 3.6503 72105 2024-05-08 14:57:25,958 INFO [main.py:798]
{rank 0/64} MD step = 154600 step time: 00:00:00.359942 Performance: 35.856 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 14:57:34,711 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 154600 30920 162.05 8530.2 17760 -9230.2 -9230.2 7.841 7.8702 3.6509 72158 2024-05-08 14:58:13,487 INFO [main.py:798]
{rank 0/64} MD step = 154700 step time: 00:00:00.387179 Performance: 35.856 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 14:58:19,960 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 154700 30940 158.81 8289.8 17406 -9116 -9116 7.8441 7.8759 3.651 72192 2024-05-08 14:58:58,376 INFO [main.py:798]
{rank 0/64} MD step = 154800 step time: 00:00:00.383819 Performance: 35.858 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 14:59:05,153 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 154800 30960 160.77 8369.2 17620 -9251.2 -9251.2 7.8498 7.8806 3.6545 72212 2024-05-08 14:59:43,747 INFO [main.py:798]
{rank 0/64} MD step = 154900 step time: 00:00:00.398708 Performance: 35.859 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 14:59:52,630 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 154900 30980 159.57 8191.3 17490 -9298.3 -9298.3 7.854 7.8845 3.6569 72240 2024-05-08 15:00:31,380 INFO [main.py:798]
{rank 0/64} MD step = 155000 step time: 00:00:00.412688 Performance: 35.859 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 15:00:38,954 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 155000 31000 158.48 8084 17370 -9285.7 -9285.7 7.8595 7.8906 3.6584 72346 2024-05-08 15:01:18,286 INFO [main.py:798]
{rank 0/64} MD step = 155100 step time: 00:00:00.383256 Performance: 35.860 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 15:01:26,139 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 155100 31020 161.59 8495.2 17710 -9214.8 -9214.8 7.8657 7.8948 3.6603 72345 2024-05-08 15:02:03,422 INFO [main.py:798]
{rank 0/64} MD step = 155200 step time: 00:00:00.356359 Performance: 35.862 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 15:02:19,841 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 155200 31040 161.6 8540.4 17711 -9170.9 -9170.9 7.8703 7.8989 3.6627 72437 2024-05-08 15:02:58,924 INFO [main.py:798]
{rank 0/64} MD step = 155300 step time: 00:00:00.358408 Performance: 35.858 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 15:03:06,197 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 155300 31060 158.97 8348.3 17424 -9075.2 -9075.2 7.8761 7.9043 3.6646 72453 2024-05-08 15:03:44,933 INFO [main.py:798]
{rank 0/64} MD step = 155400 step time: 00:00:00.380179 Performance: 35.859 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 15:03:51,547 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 155400 31080 160.7 8341.3 17613 -9272.1 -9272.1 7.8825 7.9083 3.6663 72471 2024-05-08 15:04:30,894 INFO [main.py:798]
{rank 0/64} MD step = 155500 step time: 00:00:00.363787 Performance: 35.860 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 15:04:38,854 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 155500 31100 161.07 8401.3 17654 -9252.6 -9252.6 7.8862 7.9132 3.6693 72567 2024-05-08 15:05:18,051 INFO [main.py:798]
{rank 0/64} MD step = 155600 step time: 00:00:00.376215 Performance: 35.861 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 15:05:27,627 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 155600 31120 159.39 8143.1 17469 -9325.8 -9325.8 7.8923 7.9178 3.673 72603 2024-05-08 15:06:06,721 INFO [main.py:798]
{rank 0/64} MD step = 155700 step time: 00:00:00.380660 Performance: 35.860 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 15:06:13,616 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 155700 31140 159.87 8289.1 17522 -9233.4 -9233.4 7.8981 7.9215 3.6741 72657 2024-05-08 15:06:53,777 INFO [main.py:798]
{rank 0/64} MD step = 155800 step time: 00:00:00.395186 Performance: 35.861 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 15:07:01,818 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 155800 31160 159.09 8179.3 17436 -9257.1 -9257.1 7.9035 7.9275 3.6742 72671 2024-05-08 15:07:39,675 INFO [main.py:798]
{rank 0/64} MD step = 155900 step time: 00:00:00.382098 Performance: 35.862 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 15:07:45,353 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 155900 31180 161.62 8520.4 17713 -9193.1 -9193.1 7.9079 7.9338 3.6757 72752 2024-05-08 15:08:24,376 INFO [main.py:798]
{rank 0/64} MD step = 156000 step time: 00:00:00.404697 Performance: 35.864 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 15:08:32,949 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 156000 31200 159.2 8341 17449 -9107.9 -9107.9 7.9136 7.939 3.6783 72793 2024-05-08 15:09:11,864 INFO [main.py:798]
{rank 0/64} MD step = 156100 step time: 00:00:00.393711 Performance: 35.864 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 15:09:18,741 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 156100 31220 161.3 8627.9 17678 -9050.5 -9050.5 7.9187 7.9465 3.6788 72834 2024-05-08 15:09:58,318 INFO [main.py:798]
{rank 0/64} MD step = 156200 step time: 00:00:00.380096 Performance: 35.865 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 15:10:06,994 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 156200 31240 160.67 8481.2 17610 -9129 -9129 7.9249 7.9516 3.681 72874 2024-05-08 15:10:49,963 INFO [main.py:798]
{rank 0/64} MD step = 156300 step time: 00:00:00.398731 Performance: 35.863 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 15:10:56,938 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 156300 31260 157.35 8060.4 17246 -9185.9 -9185.9 7.9283 7.9574 3.684 72910 2024-05-08 15:11:36,503 INFO [main.py:798]
{rank 0/64} MD step = 156400 step time: 00:00:00.402629 Performance: 35.864 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 15:11:43,076 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 156400 31280 158.95 8254.9 17421 -9166 -9166 7.9321 7.9617 3.6872 72957 2024-05-08 15:12:22,665 INFO [main.py:798]
{rank 0/64} MD step = 156500 step time: 00:00:00.391553 Performance: 35.865 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 15:12:34,559 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 156500 31300 160.1 8476 17547 -9070.9 -9070.9 7.9383 7.9668 3.6908 72999 2024-05-08 15:13:13,395 INFO [main.py:798]
{rank 0/64} MD step = 156600 step time: 00:00:00.344654 Performance: 35.864 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 15:13:20,515 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 156600 31320 161.24 8420.2 17673 -9252.3 -9252.3 7.9432 7.9719 3.6901 73033 2024-05-08 15:14:00,129 INFO [main.py:798]
{rank 0/64} MD step = 156700 step time: 00:00:00.390303 Performance: 35.864 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 15:14:07,020 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 156700 31340 160.02 8320.1 17538 -9218.3 -9218.3 7.9474 7.9763 3.6928 73082 2024-05-08 15:14:46,341 INFO [main.py:798]
{rank 0/64} MD step = 156800 step time: 00:00:00.388569 Performance: 35.865 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 15:14:56,838 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 156800 31360 160.18 8363.8 17555 -9191.6 -9191.6 7.9526 7.9795 3.6962 73085 2024-05-08 15:15:34,512 INFO [main.py:798]
{rank 0/64} MD step = 156900 step time: 00:00:00.393309 Performance: 35.865 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 15:15:40,163 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 156900 31380 158.91 8098.3 17416 -9318.1 -9318.1 7.9573 7.9867 3.6994 73131 2024-05-08 15:16:20,205 INFO [main.py:798]
{rank 0/64} MD step = 157000 step time: 00:00:00.341950 Performance: 35.867 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 15:16:26,778 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157000 31400 159.92 8199.9 17528 -9327.7 -9327.7 7.964 7.9954 3.7019 73162 2024-05-08 15:17:06,769 INFO [main.py:798]
{rank 0/64} MD step = 157100 step time: 00:00:00.344902 Performance: 35.867 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 15:17:12,395 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157100 31420 162.93 8725.4 17858 -9132.3 -9132.3 7.9691 7.9991 3.7043 73208 2024-05-08 15:17:52,904 INFO [main.py:798]
{rank 0/64} MD step = 157200 step time: 00:00:00.342218 Performance: 35.868 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 15:17:59,579 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157200 31440 159.39 8281.7 17469 -9187.2 -9187.2 7.9751 8.0046 3.7074 73240 2024-05-08 15:18:39,064 INFO [main.py:798]
{rank 0/64} MD step = 157300 step time: 00:00:00.343763 Performance: 35.869 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 15:18:45,992 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157300 31460 159.05 8364.6 17432 -9067.5 -9067.5 7.9794 8.0114 3.7088 73273 2024-05-08 15:19:27,494 INFO [main.py:798]
{rank 0/64} MD step = 157400 step time: 00:00:00.387475 Performance: 35.869 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 15:19:34,059 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157400 31480 161.11 8429.4 17658 -9228.9 -9228.9 7.9872 8.0176 3.7121 73290 2024-05-08 15:20:13,758 INFO [main.py:798]
{rank 0/64} MD step = 157500 step time: 00:00:00.381758 Performance: 35.870 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 15:20:42,161 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157500 31500 159.85 8341.5 17519 -9177.7 -9177.7 7.9901 8.0241 3.7161 73382 2024-05-08 15:21:20,793 INFO [main.py:798]
{rank 0/64} MD step = 157600 step time: 00:00:00.439617 Performance: 35.861 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 15:21:30,190 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157600 31520 160.59 8362.2 17601 -9238.8 -9238.8 7.9949 8.0282 3.7168 73409 2024-05-08 15:22:09,620 INFO [main.py:798]
{rank 0/64} MD step = 157700 step time: 00:00:00.429899 Performance: 35.861 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 15:22:16,439 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157700 31540 162.06 8662.7 17762 -9099.6 -9099.6 8 8.0344 3.7195 73444 2024-05-08 15:22:54,572 INFO [main.py:798]
{rank 0/64} MD step = 157800 step time: 00:00:00.394595 Performance: 35.862 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 15:23:02,055 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157800 31560 162.02 8467.4 17758 -9290.4 -9290.4 8.0042 8.0403 3.7227 73499 2024-05-08 15:23:40,663 INFO [main.py:798]
{rank 0/64} MD step = 157900 step time: 00:00:00.422837 Performance: 35.863 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 15:23:56,625 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 157900 31580 160.83 8435.8 17627 -9190.9 -9190.9 8.0083 8.044 3.7254 73512 2024-05-08 15:24:35,208 INFO [main.py:798]
{rank 0/64} MD step = 158000 step time: 00:00:00.388720 Performance: 35.860 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 15:24:39,583 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 158000 31600 160.49 8382.6 17590 -9207.7 -9207.7 8.0127 8.0493 3.7282 73553 2024-05-08 15:25:19,189 INFO [main.py:798]
{rank 0/64} MD step = 158100 step time: 00:00:00.406741 Performance: 35.862 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 15:25:25,937 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 158100 31620 159.37 8149.2 17467 -9317.4 -9317.4 8.0189 8.0549 3.733 73595 2024-05-08 15:26:04,908 INFO [main.py:798]
{rank 0/64} MD step = 158200 step time: 00:00:00.404063 Performance: 35.863 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 15:26:10,627 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 158200 31640 162.98 8752.5 17863 -9110.2 -9110.2 8.0249 8.0606 3.7367 73633 2024-05-08 15:26:51,501 INFO [main.py:798]
{rank 0/64} MD step = 158300 step time: 00:00:00.389480 Performance: 35.864 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 15:26:58,577 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 158300 31660 159.44 8221.8 17475 -9252.7 -9252.7 8.027 8.0638 3.74 73691 2024-05-08 15:27:37,700 INFO [main.py:798]
{rank 0/64} MD step = 158400 step time: 00:00:00.369760 Performance: 35.865 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 15:27:52,409 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 158400 31680 159.43 8243.2 17474 -9230.5 -9230.5 8.0331 8.0689 3.7443 73714 2024-05-08 15:28:31,497 INFO [main.py:798]
{rank 0/64} MD step = 158500 step time: 00:00:00.390346 Performance: 35.862 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 15:28:39,150 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 158500 31700 158.17 8043.8 17336 -9292.1 -9292.1 8.0369 8.0746 3.7456 73760 2024-05-08 15:29:18,154 INFO [main.py:798]
{rank 0/64} MD step = 158600 step time: 00:00:00.386158 Performance: 35.863 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 15:29:24,888 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 158600 31720 161.46 8516.6 17696 -9179.5 -9179.5 8.0401 8.0787 3.7462 73781 2024-05-08 15:30:07,076 INFO [main.py:798]
{rank 0/64} MD step = 158700 step time: 00:00:00.406161 Performance: 35.863 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 15:30:20,948 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 158700 31740 159.53 8185.4 17485 -9299.7 -9299.7 8.0452 8.0832 3.7469 73823 2024-05-08 15:31:00,069 INFO [main.py:798]
{rank 0/64} MD step = 158800 step time: 00:00:00.414123 Performance: 35.861 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 15:31:10,042 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 158800 31760 159.75 8275 17508 -9233.4 -9233.4 8.048 8.0873 3.7495 73834 2024-05-08 15:31:48,943 INFO [main.py:798]
{rank 0/64} MD step = 158900 step time: 00:00:00.446248 Performance: 35.860 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 15:31:57,954 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 158900 31780 160.44 8392.6 17584 -9191.6 -9191.6 8.0543 8.0912 3.7501 73906 2024-05-08 15:32:36,612 INFO [main.py:798]
{rank 0/64} MD step = 159000 step time: 00:00:00.420206 Performance: 35.861 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 15:32:41,630 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159000 31800 158.36 8137.8 17357 -9219.1 -9219.1 8.0584 8.095 3.7521 73948 2024-05-08 15:33:21,487 INFO [main.py:798]
{rank 0/64} MD step = 159100 step time: 00:00:00.388561 Performance: 35.862 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 15:33:27,484 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159100 31820 158.77 8097 17402 -9304.7 -9304.7 8.0655 8.1006 3.7531 74000 2024-05-08 15:34:06,533 INFO [main.py:798]
{rank 0/64} MD step = 159200 step time: 00:00:00.410809 Performance: 35.864 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 15:34:12,817 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159200 31840 161.47 8467 17697 -9229.9 -9229.9 8.0729 8.1048 3.7549 74030 2024-05-08 15:34:52,297 INFO [main.py:798]
{rank 0/64} MD step = 159300 step time: 00:00:00.411203 Performance: 35.865 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 15:35:04,111 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159300 31860 158.36 8100.3 17356 -9256 -9256 8.0784 8.1087 3.7563 74089 2024-05-08 15:35:43,517 INFO [main.py:798]
{rank 0/64} MD step = 159400 step time: 00:00:00.391298 Performance: 35.863 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 15:35:54,088 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159400 31880 160.53 8479.3 17594 -9115 -9115 8.083 8.1141 3.7613 74140 2024-05-08 15:36:32,889 INFO [main.py:798]
{rank 0/64} MD step = 159500 step time: 00:00:00.405024 Performance: 35.863 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 15:36:45,490 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159500 31900 160.65 8407.2 17607 -9199.8 -9199.8 8.0891 8.1199 3.765 74177 2024-05-08 15:37:25,361 INFO [main.py:798]
{rank 0/64} MD step = 159600 step time: 00:00:00.394451 Performance: 35.861 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 15:37:31,748 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159600 31920 161.68 8508.8 17720 -9211.6 -9211.6 8.0947 8.1267 3.766 74220 2024-05-08 15:38:10,813 INFO [main.py:798]
{rank 0/64} MD step = 159700 step time: 00:00:00.364500 Performance: 35.862 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 15:38:15,641 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159700 31940 159.67 8416.8 17500 -9083.4 -9083.4 8.0999 8.1312 3.768 74268 2024-05-08 15:38:56,254 INFO [main.py:798]
{rank 0/64} MD step = 159800 step time: 00:00:00.390463 Performance: 35.863 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 15:39:02,077 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159800 31960 160.71 8280.4 17615 -9334.1 -9334.1 8.106 8.1367 3.7716 74291 2024-05-08 15:39:40,928 INFO [main.py:798]
{rank 0/64} MD step = 159900 step time: 00:00:00.390401 Performance: 35.865 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 15:39:47,844 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 159900 31980 159.73 8272.4 17507 -9234.4 -9234.4 8.111 8.1416 3.7758 74362 2024-05-08 15:40:31,543 INFO [main.py:798]
{rank 0/64} MD step = 160000 step time: 00:00:00.392662 Performance: 35.864 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 15:40:37,779 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160000 32000 159.94 8279 17530 -9251 -9251 8.1167 8.1464 3.7784 74413 2024-05-08 15:41:16,899 INFO [main.py:798]
{rank 0/64} MD step = 160100 step time: 00:00:00.402440 Performance: 35.865 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 15:41:22,966 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160100 32020 162.36 8652.2 17795 -9142.6 -9142.6 8.1214 8.1515 3.7798 74424 2024-05-08 15:42:03,261 INFO [main.py:798]
{rank 0/64} MD step = 160200 step time: 00:00:00.427133 Performance: 35.866 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 15:42:11,548 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160200 32040 159.81 8198.1 17515 -9316.9 -9316.9 8.1274 8.1577 3.7791 74463 2024-05-08 15:42:50,514 INFO [main.py:798]
{rank 0/64} MD step = 160300 step time: 00:00:00.406211 Performance: 35.866 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 15:42:56,895 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160300 32060 160.16 8405.5 17554 -9148.1 -9148.1 8.1311 8.1627 3.7803 74518 2024-05-08 15:43:35,331 INFO [main.py:798]
{rank 0/64} MD step = 160400 step time: 00:00:00.413511 Performance: 35.868 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 15:43:41,305 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160400 32080 158.85 8312.8 17410 -9097.1 -9097.1 8.1359 8.1669 3.7828 74578 2024-05-08 15:44:19,305 INFO [main.py:798]
{rank 0/64} MD step = 160500 step time: 00:00:00.408459 Performance: 35.870 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 15:44:26,982 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160500 32100 162.91 8618.5 17855 -9236.5 -9236.5 8.1412 8.172 3.7853 74613 2024-05-08 15:45:05,493 INFO [main.py:798]
{rank 0/64} MD step = 160600 step time: 00:00:00.391960 Performance: 35.871 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 15:45:12,420 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160600 32120 159.38 8358 17468 -9109.8 -9109.8 8.146 8.179 3.7876 74688 2024-05-08 15:45:51,270 INFO [main.py:798]
{rank 0/64} MD step = 160700 step time: 00:00:00.387926 Performance: 35.872 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 15:45:57,550 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160700 32140 163.4 8589.8 17909 -9319.2 -9319.2 8.1499 8.1841 3.7889 74721 2024-05-08 15:46:36,445 INFO [main.py:798]
{rank 0/64} MD step = 160800 step time: 00:00:00.392928 Performance: 35.873 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 15:46:45,952 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160800 32160 161.68 8403.8 17720 -9316.6 -9316.6 8.1564 8.1899 3.7927 74765 2024-05-08 15:47:26,104 INFO [main.py:798]
{rank 0/64} MD step = 160900 step time: 00:00:00.396367 Performance: 35.873 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 15:47:32,545 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 160900 32180 161.34 8462 17683 -9221.2 -9221.2 8.1607 8.1948 3.7938 74786 2024-05-08 15:48:11,210 INFO [main.py:798]
{rank 0/64} MD step = 161000 step time: 00:00:00.396191 Performance: 35.874 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 15:48:18,805 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161000 32200 162.01 8376.7 17757 -9380.1 -9380.1 8.1651 8.1997 3.7969 74847 2024-05-08 15:48:57,230 INFO [main.py:798]
{rank 0/64} MD step = 161100 step time: 00:00:00.386964 Performance: 35.875 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 15:49:04,539 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161100 32220 161.96 8548.5 17751 -9202.5 -9202.5 8.1684 8.2035 3.7985 74900 2024-05-08 15:49:43,378 INFO [main.py:798]
{rank 0/64} MD step = 161200 step time: 00:00:00.360603 Performance: 35.876 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 15:49:55,293 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161200 32240 161.37 8477.5 17687 -9209 -9209 8.174 8.207 3.8003 74946 2024-05-08 15:50:37,188 INFO [main.py:798]
{rank 0/64} MD step = 161300 step time: 00:00:00.421854 Performance: 35.873 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 15:50:44,921 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161300 32260 158.1 8095.2 17327 -9232.2 -9232.2 8.179 8.2115 3.8017 74960 2024-05-08 15:51:22,823 INFO [main.py:798]
{rank 0/64} MD step = 161400 step time: 00:00:00.366525 Performance: 35.874 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 15:51:30,464 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161400 32280 160.31 8219.1 17571 -9351.6 -9351.6 8.1841 8.2174 3.8046 74958 2024-05-08 15:52:09,717 INFO [main.py:798]
{rank 0/64} MD step = 161500 step time: 00:00:00.376497 Performance: 35.875 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 15:52:19,802 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161500 32300 159.28 8227.5 17457 -9229.3 -9229.3 8.1887 8.2227 3.8066 75029 2024-05-08 15:52:58,919 INFO [main.py:798]
{rank 0/64} MD step = 161600 step time: 00:00:00.376337 Performance: 35.875 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 15:53:07,928 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161600 32320 159.13 8307.7 17441 -9133.2 -9133.2 8.1923 8.2267 3.8091 75081 2024-05-08 15:53:45,892 INFO [main.py:798]
{rank 0/64} MD step = 161700 step time: 00:00:00.390800 Performance: 35.875 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 15:53:52,557 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161700 32340 158.87 8302.7 17412 -9109.2 -9109.2 8.1989 8.2298 3.8117 75111 2024-05-08 15:54:31,519 INFO [main.py:798]
{rank 0/64} MD step = 161800 step time: 00:00:00.376300 Performance: 35.876 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 15:54:39,690 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161800 32360 159.33 8216.1 17463 -9246.7 -9246.7 8.2039 8.2363 3.8144 75138 2024-05-08 15:55:18,789 INFO [main.py:798]
{rank 0/64} MD step = 161900 step time: 00:00:00.396806 Performance: 35.877 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 15:55:25,234 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 161900 32380 161.72 8528.5 17725 -9196.1 -9196.1 8.2099 8.2424 3.8185 75193 2024-05-08 15:56:03,972 INFO [main.py:798]
{rank 0/64} MD step = 162000 step time: 00:00:00.358289 Performance: 35.878 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 15:56:12,237 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 162000 32400 160.24 8378.6 17562 -9183.9 -9183.9 8.2139 8.2477 3.8198 75254 2024-05-08 15:56:50,896 INFO [main.py:798]
{rank 0/64} MD step = 162100 step time: 00:00:00.407780 Performance: 35.879 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 15:56:56,428 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 162100 32420 159.33 8199.6 17463 -9263.1 -9263.1 8.2166 8.2549 3.8191 75286 2024-05-08 15:57:35,810 INFO [main.py:798]
{rank 0/64} MD step = 162200 step time: 00:00:00.414206 Performance: 35.880 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 15:57:43,160 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 162200 32440 157.53 8090.5 17266 -9175.5 -9175.5 8.2222 8.2615 3.8224 75363 2024-05-08 15:58:20,732 INFO [main.py:798]
{rank 0/64} MD step = 162300 step time: 00:00:00.401643 Performance: 35.882 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 15:58:26,049 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 162300 32460 160.85 8552 17629 -9077.2 -9077.2 8.2278 8.2663 3.8246 75391 2024-05-08 15:59:06,331 INFO [main.py:798]
{rank 0/64} MD step = 162400 step time: 00:00:00.405039 Performance: 35.883 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 15:59:13,614 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 162400 32480 160.53 8491.9 17594 -9102.6 -9102.6 8.2332 8.2709 3.8287 75434 2024-05-08 15:59:52,646 INFO [main.py:798]
{rank 0/64} MD step = 162500 step time: 00:00:00.396393 Performance: 35.884 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:00:00,279 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 162500 32500 156.18 7959.5 17117 -9157.8 -9157.8 8.2386 8.2738 3.8306 75506 2024-05-08 16:00:37,726 INFO [main.py:798]
{rank 0/64} MD step = 162600 step time: 00:00:00.360821 Performance: 35.885 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:00:44,575 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 162600 32520 160.65 8412.4 17608 -9195.6 -9195.6 8.2448 8.2779 3.8315 75495 2024-05-08 16:01:23,410 INFO [main.py:798]
{rank 0/64} MD step = 162700 step time: 00:00:00.393429 Performance: 35.886 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:01:31,454 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 162700 32540 159.83 8241.2 17517 -9275.9 -9275.9 8.2496 8.2828 3.8345 75540 2024-05-08 16:02:11,548 INFO [main.py:798]
{rank 0/64} MD step = 162800 step time: 00:00:00.410345 Performance: 35.886 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:02:18,360 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 162800 32560 159.02 8262.5 17428 -9165.7 -9165.7 8.2556 8.2902 3.8388 75611 2024-05-08 16:02:56,082 INFO [main.py:798]
{rank 0/64} MD step = 162900 step time: 00:00:00.387744 Performance: 35.888 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:03:02,559 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 162900 32580 162.06 8579.3 17762 -9183 -9183 8.2605 8.2954 3.8398 75660 2024-05-08 16:03:39,885 INFO [main.py:798]
{rank 0/64} MD step = 163000 step time: 00:00:00.345156 Performance: 35.890 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:03:46,168 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163000 32600 160.81 8358 17625 -9266.9 -9266.9 8.2649 8.3012 3.8429 75660 2024-05-08 16:04:25,522 INFO [main.py:798]
{rank 0/64} MD step = 163100 step time: 00:00:00.370350 Performance: 35.891 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:04:32,279 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163100 32620 160.34 8378.6 17574 -9195.4 -9195.4 8.2715 8.3071 3.8435 75731 2024-05-08 16:05:11,826 INFO [main.py:798]
{rank 0/64} MD step = 163200 step time: 00:00:00.366771 Performance: 35.892 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:05:19,423 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163200 32640 161.33 8459.2 17682 -9222.8 -9222.8 8.2754 8.3125 3.8462 75776 2024-05-08 16:05:59,528 INFO [main.py:798]
{rank 0/64} MD step = 163300 step time: 00:00:00.359968 Performance: 35.892 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:06:06,999 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163300 32660 157.56 8079.6 17269 -9189.4 -9189.4 8.2802 8.3172 3.8498 75834 2024-05-08 16:06:46,182 INFO [main.py:798]
{rank 0/64} MD step = 163400 step time: 00:00:00.366688 Performance: 35.893 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:06:53,502 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163400 32680 160.1 8267.3 17547 -9279.7 -9279.7 8.285 8.3225 3.8519 75895 2024-05-08 16:07:32,833 INFO [main.py:798]
{rank 0/64} MD step = 163500 step time: 00:00:00.335838 Performance: 35.893 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:07:41,367 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163500 32700 158.57 8155.6 17379 -9223.8 -9223.8 8.2893 8.3291 3.8545 75935 2024-05-08 16:08:19,462 INFO [main.py:798]
{rank 0/64} MD step = 163600 step time: 00:00:00.338791 Performance: 35.894 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:08:27,676 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163600 32720 159.19 8209.1 17448 -9238.6 -9238.6 8.2959 8.3349 3.8548 75946 2024-05-08 16:09:07,052 INFO [main.py:798]
{rank 0/64} MD step = 163700 step time: 00:00:00.342669 Performance: 35.894 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:09:15,713 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163700 32740 160.05 8223.7 17541 -9317.5 -9317.5 8.3002 8.3397 3.8566 76010 2024-05-08 16:09:55,458 INFO [main.py:798]
{rank 0/64} MD step = 163800 step time: 00:00:00.360291 Performance: 35.894 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:10:03,034 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163800 32760 159.92 8344.9 17527 -9182 -9182 8.3037 8.3439 3.8582 76054 2024-05-08 16:10:43,037 INFO [main.py:798]
{rank 0/64} MD step = 163900 step time: 00:00:00.381661 Performance: 35.894 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:10:49,442 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 163900 32780 161.04 8488.7 17650 -9161.3 -9161.3 8.3108 8.3507 3.8601 76100 2024-05-08 16:11:28,223 INFO [main.py:798]
{rank 0/64} MD step = 164000 step time: 00:00:00.386426 Performance: 35.896 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:11:34,552 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164000 32800 160.89 8354.3 17634 -9279.7 -9279.7 8.3165 8.3549 3.8617 76166 2024-05-08 16:12:14,642 INFO [main.py:798]
{rank 0/64} MD step = 164100 step time: 00:00:00.391267 Performance: 35.897 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:12:21,835 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164100 32820 162.71 8666.6 17833 -9166.4 -9166.4 8.3218 8.359 3.8661 76216 2024-05-08 16:13:01,408 INFO [main.py:798]
{rank 0/64} MD step = 164200 step time: 00:00:00.398565 Performance: 35.897 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:13:07,422 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164200 32840 158.38 8166.1 17359 -9192.9 -9192.9 8.3266 8.3644 3.8679 76234 2024-05-08 16:13:47,060 INFO [main.py:798]
{rank 0/64} MD step = 164300 step time: 00:00:00.399119 Performance: 35.898 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:13:55,401 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164300 32860 161.03 8622.6 17649 -9026.2 -9026.2 8.3321 8.3684 3.8706 76328 2024-05-08 16:14:34,602 INFO [main.py:798]
{rank 0/64} MD step = 164400 step time: 00:00:00.389135 Performance: 35.899 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:14:43,774 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164400 32880 160.95 8407.4 17640 -9232.9 -9232.9 8.3371 8.372 3.8722 76346 2024-05-08 16:15:25,279 INFO [main.py:798]
{rank 0/64} MD step = 164500 step time: 00:00:00.389945 Performance: 35.897 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:15:32,434 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164500 32900 159.88 8259.4 17523 -9263.6 -9263.6 8.3412 8.3765 3.8763 76363 2024-05-08 16:16:12,810 INFO [main.py:798]
{rank 0/64} MD step = 164600 step time: 00:00:00.392139 Performance: 35.898 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:16:56,801 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164600 32920 159.32 8231.8 17462 -9230.3 -9230.3 8.347 8.3797 3.8806 76403 2024-05-08 16:17:39,044 INFO [main.py:798]
{rank 0/64} MD step = 164700 step time: 00:00:00.386084 Performance: 35.880 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 16:17:45,822 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164700 32940 160.23 8368.9 17562 -9193 -9193 8.3536 8.3846 3.8827 76451 2024-05-08 16:18:24,292 INFO [main.py:798]
{rank 0/64} MD step = 164800 step time: 00:00:00.393042 Performance: 35.882 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 16:18:29,945 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164800 32960 158.02 8067.7 17319 -9251.2 -9251.2 8.3591 8.3877 3.8848 76504 2024-05-08 16:19:07,559 INFO [main.py:798]
{rank 0/64} MD step = 164900 step time: 00:00:00.365991 Performance: 35.884 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:19:16,552 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 164900 32980 159.5 8313.6 17482 -9168.1 -9168.1 8.3643 8.3945 3.8886 76543 2024-05-08 16:19:58,204 INFO [main.py:798]
{rank 0/64} MD step = 165000 step time: 00:00:00.396604 Performance: 35.883 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:20:06,659 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 165000 33000 160.02 8288.3 17538 -9250.1 -9250.1 8.3704 8.3984 3.8895 76571 2024-05-08 16:20:45,647 INFO [main.py:798]
{rank 0/64} MD step = 165100 step time: 00:00:00.389714 Performance: 35.883 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:20:53,896 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 165100 33020 161.72 8498.1 17725 -9226.4 -9226.4 8.3755 8.4043 3.8916 76609 2024-05-08 16:21:33,340 INFO [main.py:798]
{rank 0/64} MD step = 165200 step time: 00:00:00.404632 Performance: 35.883 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:21:40,629 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 165200 33040 160.96 8384.8 17642 -9257 -9257 8.3818 8.41 3.8937 76671 2024-05-08 16:22:19,193 INFO [main.py:798]
{rank 0/64} MD step = 165300 step time: 00:00:00.352350 Performance: 35.884 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:22:28,552 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 165300 33060 158.88 8170.2 17413 -9243.3 -9243.3 8.3878 8.413 3.8963 76734 2024-05-08 16:23:07,701 INFO [main.py:798]
{rank 0/64} MD step = 165400 step time: 00:00:00.380796 Performance: 35.884 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:23:14,802 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 165400 33080 159.27 8288.2 17457 -9168.3 -9168.3 8.3918 8.4176 3.8965 76772 2024-05-08 16:23:53,897 INFO [main.py:798]
{rank 0/64} MD step = 165500 step time: 00:00:00.392472 Performance: 35.885 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:24:00,877 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 165500 33100 158.68 8228.3 17391 -9163.2 -9163.2 8.3985 8.421 3.8987 76826 2024-05-08 16:24:39,626 INFO [main.py:798]
{rank 0/64} MD step = 165600 step time: 00:00:00.426550 Performance: 35.886 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:24:50,917 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 165600 33120 160.5 8394.9 17592 -9196.6 -9196.6 8.4034 8.4264 3.9019 76898 2024-05-08 16:25:30,302 INFO [main.py:798]
{rank 0/64} MD step = 165700 step time: 00:00:00.414418 Performance: 35.885 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:25:37,269 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 165700 33140 159.24 8333.9 17453 -9119.4 -9119.4 8.4067 8.43 3.9047 76938 2024-05-08 16:26:16,118 INFO [main.py:798]
{rank 0/64} MD step = 165800 step time: 00:00:00.394020 Performance: 35.886 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:26:23,010 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 165800 33160 159.69 8275.9 17503 -9226.6 -9226.6 8.4112 8.4346 3.9085 76987 2024-05-08 16:27:02,130 INFO [main.py:798]
{rank 0/64} MD step = 165900 step time: 00:00:00.417340 Performance: 35.887 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:27:09,470 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 165900 33180 158.93 8263.7 17419 -9155 -9155 8.4168 8.4404 3.9116 77045 2024-05-08 16:27:47,826 INFO [main.py:798]
{rank 0/64} MD step = 166000 step time: 00:00:00.388603 Performance: 35.888 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:27:58,230 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166000 33200 160.66 8530.4 17608 -9077.9 -9077.9 8.423 8.4459 3.9134 77112 2024-05-08 16:28:36,281 INFO [main.py:798]
{rank 0/64} MD step = 166100 step time: 00:00:00.429726 Performance: 35.888 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:28:44,920 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166100 33220 157.61 8040.3 17274 -9233.9 -9233.9 8.4282 8.4498 3.9155 77169 2024-05-08 16:29:23,886 INFO [main.py:798]
{rank 0/64} MD step = 166200 step time: 00:00:00.403748 Performance: 35.888 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:29:35,832 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166200 33240 159.44 8303.3 17475 -9172 -9172 8.4319 8.4546 3.9167 77232 2024-05-08 16:30:14,714 INFO [main.py:798]
{rank 0/64} MD step = 166300 step time: 00:00:00.405486 Performance: 35.887 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:30:41,149 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166300 33260 160 8300 17537 -9236.7 -9236.7 8.4377 8.4603 3.9178 77243 2024-05-08 16:31:18,696 INFO [main.py:798]
{rank 0/64} MD step = 166400 step time: 00:00:00.387166 Performance: 35.880 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 16:31:29,663 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166400 33280 158.9 8127.8 17416 -9288.1 -9288.1 8.4434 8.465 3.9218 77308 2024-05-08 16:32:08,805 INFO [main.py:798]
{rank 0/64} MD step = 166500 step time: 00:00:00.412570 Performance: 35.879 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 16:32:16,192 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166500 33300 159.6 8272.8 17493 -9220 -9220 8.4483 8.4699 3.9236 77331 2024-05-08 16:32:55,083 INFO [main.py:798]
{rank 0/64} MD step = 166600 step time: 00:00:00.420910 Performance: 35.880 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 16:33:01,725 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166600 33320 160.12 8314 17549 -9235.3 -9235.3 8.454 8.4725 3.9256 77379 2024-05-08 16:33:45,215 INFO [main.py:798]
{rank 0/64} MD step = 166700 step time: 00:00:00.375666 Performance: 35.879 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 16:33:51,436 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166700 33340 159.46 8318.9 17477 -9158 -9158 8.4565 8.4777 3.9267 77463 2024-05-08 16:34:31,518 INFO [main.py:798]
{rank 0/64} MD step = 166800 step time: 00:00:00.395067 Performance: 35.880 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 16:34:40,293 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166800 33360 159.62 8266 17495 -9229.1 -9229.1 8.4618 8.4829 3.9275 77467 2024-05-08 16:35:20,741 INFO [main.py:798]
{rank 0/64} MD step = 166900 step time: 00:00:00.402132 Performance: 35.880 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 16:35:27,677 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 166900 33380 159.84 8290 17518 -9228.2 -9228.2 8.4688 8.4887 3.9302 77501 2024-05-08 16:36:06,655 INFO [main.py:798]
{rank 0/64} MD step = 167000 step time: 00:00:00.422901 Performance: 35.881 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 16:36:14,177 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167000 33400 160.06 8365.9 17543 -9177.2 -9177.2 8.4735 8.4938 3.9325 77548 2024-05-08 16:36:53,558 INFO [main.py:798]
{rank 0/64} MD step = 167100 step time: 00:00:00.424516 Performance: 35.881 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 16:37:07,503 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167100 33420 162.65 8743 17826 -9083.5 -9083.5 8.4779 8.4984 3.9372 77618 2024-05-08 16:37:46,005 INFO [main.py:798]
{rank 0/64} MD step = 167200 step time: 00:00:00.408615 Performance: 35.879 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 16:37:51,431 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167200 33440 160.44 8515.3 17584 -9068.7 -9068.7 8.4807 8.5022 3.9376 77649 2024-05-08 16:38:29,348 INFO [main.py:798]
{rank 0/64} MD step = 167300 step time: 00:00:00.413035 Performance: 35.881 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 16:38:36,189 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167300 33460 160.86 8453.9 17630 -9176.6 -9176.6 8.4851 8.5077 3.9398 77714 2024-05-08 16:39:13,695 INFO [main.py:798]
{rank 0/64} MD step = 167400 step time: 00:00:00.387320 Performance: 35.883 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:39:22,884 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167400 33480 163.68 8687.9 17939 -9251.1 -9251.1 8.4894 8.5132 3.9436 77734 2024-05-08 16:40:03,039 INFO [main.py:798]
{rank 0/64} MD step = 167500 step time: 00:00:00.380215 Performance: 35.882 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:40:09,303 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167500 33500 159.71 8276.5 17504 -9227.9 -9227.9 8.4963 8.5172 3.9469 77782 2024-05-08 16:40:48,663 INFO [main.py:798]
{rank 0/64} MD step = 167600 step time: 00:00:00.397151 Performance: 35.884 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:40:55,625 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167600 33520 160.91 8502.8 17635 -9132.7 -9132.7 8.5027 8.5241 3.9486 77830 2024-05-08 16:41:35,260 INFO [main.py:798]
{rank 0/64} MD step = 167700 step time: 00:00:00.404105 Performance: 35.884 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:41:42,834 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167700 33540 161.85 8579.1 17739 -9159.9 -9159.9 8.5089 8.5282 3.9509 77860 2024-05-08 16:42:20,954 INFO [main.py:798]
{rank 0/64} MD step = 167800 step time: 00:00:00.406662 Performance: 35.885 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:42:27,013 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167800 33560 161.32 8429.1 17681 -9252.1 -9252.1 8.5143 8.5337 3.9523 77914 2024-05-08 16:43:04,568 INFO [main.py:798]
{rank 0/64} MD step = 167900 step time: 00:00:00.374029 Performance: 35.887 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:43:13,982 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 167900 33580 159.24 8131.5 17453 -9321.7 -9321.7 8.5186 8.5382 3.9545 77910 2024-05-08 16:43:52,788 INFO [main.py:798]
{rank 0/64} MD step = 168000 step time: 00:00:00.417239 Performance: 35.887 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:44:00,695 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168000 33600 160.21 8314.4 17559 -9244.9 -9244.9 8.5243 8.5438 3.9569 78002 2024-05-08 16:44:41,724 INFO [main.py:798]
{rank 0/64} MD step = 168100 step time: 00:00:00.415696 Performance: 35.887 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:44:48,338 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168100 33620 161.4 8520.1 17690 -9169.9 -9169.9 8.5292 8.5504 3.9593 78034 2024-05-08 16:45:26,718 INFO [main.py:798]
{rank 0/64} MD step = 168200 step time: 00:00:00.402957 Performance: 35.888 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:45:33,592 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168200 33640 159.96 8419.3 17532 -9112.2 -9112.2 8.5324 8.5576 3.9612 78061 2024-05-08 16:46:15,535 INFO [main.py:798]
{rank 0/64} MD step = 168300 step time: 00:00:00.374116 Performance: 35.888 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:46:26,706 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168300 33660 160.4 8444.5 17580 -9135.7 -9135.7 8.5367 8.5622 3.9626 78143 2024-05-08 16:47:06,060 INFO [main.py:798]
{rank 0/64} MD step = 168400 step time: 00:00:00.391805 Performance: 35.887 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:47:12,871 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168400 33680 161.3 8547.5 17679 -9131.5 -9131.5 8.5419 8.5668 3.9647 78190 2024-05-08 16:47:51,692 INFO [main.py:798]
{rank 0/64} MD step = 168500 step time: 00:00:00.390615 Performance: 35.888 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:48:00,888 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168500 33700 159.69 8301.4 17502 -9200.4 -9200.4 8.5486 8.5711 3.966 78192 2024-05-08 16:48:40,869 INFO [main.py:798]
{rank 0/64} MD step = 168600 step time: 00:00:00.374755 Performance: 35.888 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:48:48,773 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168600 33720 161.59 8621 17711 -9089.8 -9089.8 8.556 8.576 3.9664 78280 2024-05-08 16:49:27,374 INFO [main.py:798]
{rank 0/64} MD step = 168700 step time: 00:00:00.375809 Performance: 35.888 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:49:34,298 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168700 33740 162.01 8687.2 17757 -9069.7 -9069.7 8.5619 8.5815 3.9689 78311 2024-05-08 16:50:13,302 INFO [main.py:798]
{rank 0/64} MD step = 168800 step time: 00:00:00.375349 Performance: 35.889 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:50:20,732 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168800 33760 159.09 8224.5 17437 -9212.2 -9212.2 8.5666 8.587 3.9708 78316 2024-05-08 16:51:00,114 INFO [main.py:798]
{rank 0/64} MD step = 168900 step time: 00:00:00.391936 Performance: 35.890 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:51:16,111 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 168900 33780 159.5 8274.7 17481 -9206.7 -9206.7 8.5725 8.5913 3.974 78349 2024-05-08 16:51:54,523 INFO [main.py:798]
{rank 0/64} MD step = 169000 step time: 00:00:00.370507 Performance: 35.887 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:52:07,503 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 169000 33800 162.68 8675.9 17830 -9153.6 -9153.6 8.5767 8.5932 3.9758 78390 2024-05-08 16:52:47,000 INFO [main.py:798]
{rank 0/64} MD step = 169100 step time: 00:00:00.396790 Performance: 35.885 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:52:54,938 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 169100 33820 158.45 8284.7 17366 -9081.3 -9081.3 8.5818 8.5972 3.9771 78441 2024-05-08 16:53:35,276 INFO [main.py:798]
{rank 0/64} MD step = 169200 step time: 00:00:00.392506 Performance: 35.885 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:53:41,912 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 169200 33840 159.2 8136.6 17448 -9311.5 -9311.5 8.5875 8.604 3.9796 78491 2024-05-08 16:54:21,250 INFO [main.py:798]
{rank 0/64} MD step = 169300 step time: 00:00:00.416588 Performance: 35.886 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:54:29,811 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 169300 33860 162.08 8517.9 17765 -9246.7 -9246.7 8.594 8.6099 3.9822 78521 2024-05-08 16:55:09,834 INFO [main.py:798]
{rank 0/64} MD step = 169400 step time: 00:00:00.410350 Performance: 35.886 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:55:16,407 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 169400 33880 159.47 8415.4 17478 -9062.5 -9062.5 8.6001 8.6154 3.9836 78563 2024-05-08 16:55:57,746 INFO [main.py:798]
{rank 0/64} MD step = 169500 step time: 00:00:00.426934 Performance: 35.886 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:56:07,099 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 169500 33900 158.52 8262 17374 -9111.8 -9111.8 8.6038 8.619 3.9863 78621 2024-05-08 16:56:46,388 INFO [main.py:798]
{rank 0/64} MD step = 169600 step time: 00:00:00.391168 Performance: 35.886 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 16:57:54,904 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 169600 33920 159.33 8268.6 17463 -9194.1 -9194.1 8.6092 8.6254 3.9893 78618 2024-05-08 16:58:33,238 INFO [main.py:798]
{rank 0/64} MD step = 169700 step time: 00:00:00.406208 Performance: 35.860 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 16:58:41,025 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 169700 33940 158.18 8218.6 17337 -9118.1 -9118.1 8.6146 8.6303 3.9901 78670 2024-05-08 16:59:19,494 INFO [main.py:798]
{rank 0/64} MD step = 169800 step time: 00:00:00.414638 Performance: 35.861 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 16:59:31,551 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 169800 33960 160.29 8387.7 17568 -9180.3 -9180.3 8.6204 8.6353 3.9911 78734 2024-05-08 17:00:10,102 INFO [main.py:798]
{rank 0/64} MD step = 169900 step time: 00:00:00.407451 Performance: 35.860 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 17:00:15,696 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 169900 33980 160.72 8347.7 17616 -9267.9 -9267.9 8.6253 8.6421 3.9924 78769 2024-05-08 17:00:53,887 INFO [main.py:798]
{rank 0/64} MD step = 170000 step time: 00:00:00.402821 Performance: 35.862 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 17:01:02,551 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170000 34000 162.66 8590.9 17827 -9236.5 -9236.5 8.6297 8.6459 3.9948 78806 2024-05-08 17:01:43,248 INFO [main.py:798]
{rank 0/64} MD step = 170100 step time: 00:00:00.403442 Performance: 35.861 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 17:01:50,300 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170100 34020 159.62 8240.5 17494 -9253.9 -9253.9 8.6356 8.6508 3.9969 78846 2024-05-08 17:02:29,198 INFO [main.py:798]
{rank 0/64} MD step = 170200 step time: 00:00:00.366150 Performance: 35.862 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 17:02:35,832 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170200 34040 158.47 8125 17368 -9243.2 -9243.2 8.6397 8.6569 3.9995 78924 2024-05-08 17:03:15,441 INFO [main.py:798]
{rank 0/64} MD step = 170300 step time: 00:00:00.393977 Performance: 35.863 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 17:03:22,311 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170300 34060 158.55 8191.5 17377 -9185.8 -9185.8 8.6449 8.6619 4.0003 78957 2024-05-08 17:04:00,607 INFO [main.py:798]
{rank 0/64} MD step = 170400 step time: 00:00:00.363618 Performance: 35.865 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 17:04:06,009 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170400 34080 159.43 8102.3 17474 -9371.8 -9371.8 8.6521 8.6669 4.0019 78987 2024-05-08 17:04:44,744 INFO [main.py:798]
{rank 0/64} MD step = 170500 step time: 00:00:00.378521 Performance: 35.866 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 17:04:50,668 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170500 34100 162.35 8592.5 17794 -9201.4 -9201.4 8.6569 8.6719 4.0038 79045 2024-05-08 17:05:30,259 INFO [main.py:798]
{rank 0/64} MD step = 170600 step time: 00:00:00.392222 Performance: 35.867 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 17:05:35,586 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170600 34120 158.91 8161.9 17417 -9255.1 -9255.1 8.6612 8.6759 4.0066 79067 2024-05-08 17:06:25,690 INFO [main.py:798]
{rank 0/64} MD step = 170700 step time: 00:00:00.392360 Performance: 35.864 ns/day 0.669 hours/ns 2.075 steps/s 2024-05-08 17:06:32,993 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170700 34140 160.97 8387.3 17642 -9255.1 -9255.1 8.6683 8.6807 4.0098 79141 2024-05-08 17:07:11,554 INFO [main.py:798]
{rank 0/64} MD step = 170800 step time: 00:00:00.400390 Performance: 35.865 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 17:07:18,066 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170800 34160 157.82 8112.5 17298 -9185.2 -9185.2 8.673 8.6834 4.0126 79169 2024-05-08 17:07:56,600 INFO [main.py:798]
{rank 0/64} MD step = 170900 step time: 00:00:00.418301 Performance: 35.867 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 17:08:06,374 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 170900 34180 160.3 8441.1 17569 -9128 -9128 8.6764 8.6865 4.0141 79249 2024-05-08 17:08:45,350 INFO [main.py:798]
{rank 0/64} MD step = 171000 step time: 00:00:00.390516 Performance: 35.866 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 17:08:52,332 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 171000 34200 159.36 8305.2 17466 -9160.4 -9160.4 8.6814 8.6899 4.0177 79281 2024-05-08 17:09:31,211 INFO [main.py:798]
{rank 0/64} MD step = 171100 step time: 00:00:00.412862 Performance: 35.867 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 17:09:36,992 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 171100 34220 161.03 8412.4 17649 -9236.9 -9236.9 8.6847 8.6969 4.0195 79321 2024-05-08 17:10:15,205 INFO [main.py:798]
{rank 0/64} MD step = 171200 step time: 00:00:00.418504 Performance: 35.869 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 17:10:22,118 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 171200 34240 158.39 8134 17359 -9225.4 -9225.4 8.6882 8.702 4.0222 79356 2024-05-08 17:11:00,853 INFO [main.py:798]
{rank 0/64} MD step = 171300 step time: 00:00:00.407717 Performance: 35.870 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 17:11:13,340 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 171300 34260 159.89 8348.5 17524 -9175.7 -9175.7 8.6938 8.7089 4.0246 79415 2024-05-08 17:11:53,074 INFO [main.py:798]
{rank 0/64} MD step = 171400 step time: 00:00:00.444874 Performance: 35.869 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 17:12:00,153 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 171400 34280 161.16 8414.6 17663 -9248.6 -9248.6 8.7 8.7132 4.0255 79484 2024-05-08 17:12:39,141 INFO [main.py:798]
{rank 0/64} MD step = 171500 step time: 00:00:00.411393 Performance: 35.870 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 17:12:45,077 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 171500 34300 159.14 8229.1 17442 -9212.4 -9212.4 8.705 8.7184 4.0288 79544 2024-05-08 17:13:24,002 INFO [main.py:798]
{rank 0/64} MD step = 171600 step time: 00:00:00.412170 Performance: 35.871 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 17:13:30,000 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 171600 34320 162.53 8582.7 17814 -9231.2 -9231.2 8.71 8.7223 4.0303 79559 2024-05-08 17:14:08,582 INFO [main.py:798]
{rank 0/64} MD step = 171700 step time: 00:00:00.428129 Performance: 35.873 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 17:14:15,379 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 171700 34340 160.13 8252.7 17551 -9298.1 -9298.1 8.7151 8.7273 4.0334 79590 2024-05-08 17:14:54,225 INFO [main.py:798]
{rank 0/64} MD step = 171800 step time: 00:00:00.409593 Performance: 35.874 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 17:15:01,020 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 171800 34360 158.5 8175.5 17372 -9196.1 -9196.1 8.7207 8.7345 4.0361 79643 2024-05-08 17:15:40,253 INFO [main.py:798]
{rank 0/64} MD step = 171900 step time: 00:00:00.393297 Performance: 35.875 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 17:15:55,398 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 171900 34380 161.26 8410.6 17674 -9263.7 -9263.7 8.7277 8.741 4.0387 79670 2024-05-08 17:16:34,126 INFO [main.py:798]
{rank 0/64} MD step = 172000 step time: 00:00:00.420124 Performance: 35.872 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 17:16:40,443 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172000 34400 159.1 8164.2 17438 -9273.8 -9273.8 8.7323 8.7441 4.0415 79740 2024-05-08 17:17:18,948 INFO [main.py:798]
{rank 0/64} MD step = 172100 step time: 00:00:00.401323 Performance: 35.874 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 17:17:26,998 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172100 34420 158.79 8168.9 17404 -9235.1 -9235.1 8.7383 8.7516 4.043 79766 2024-05-08 17:18:06,333 INFO [main.py:798]
{rank 0/64} MD step = 172200 step time: 00:00:00.397429 Performance: 35.874 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 17:18:13,864 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172200 34440 159.32 8216.8 17461 -9244.3 -9244.3 8.7444 8.7587 4.0462 79806 2024-05-08 17:18:52,508 INFO [main.py:798]
{rank 0/64} MD step = 172300 step time: 00:00:00.429111 Performance: 35.875 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 17:18:59,294 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172300 34460 159.64 8244.2 17496 -9252.3 -9252.3 8.7506 8.7636 4.0491 79841 2024-05-08 17:19:37,896 INFO [main.py:798]
{rank 0/64} MD step = 172400 step time: 00:00:00.369990 Performance: 35.876 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 17:19:42,967 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172400 34480 157.78 8098.6 17293 -9194.2 -9194.2 8.7551 8.7677 4.0512 79893 2024-05-08 17:20:24,748 INFO [main.py:798]
{rank 0/64} MD step = 172500 step time: 00:00:00.392413 Performance: 35.877 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 17:20:30,741 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172500 34500 161.49 8396.7 17700 -9302.8 -9302.8 8.7603 8.7717 4.0515 79932 2024-05-08 17:21:09,229 INFO [main.py:798]
{rank 0/64} MD step = 172600 step time: 00:00:00.394039 Performance: 35.878 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 17:21:15,595 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172600 34520 161.52 8424.3 17703 -9278.2 -9278.2 8.7662 8.7766 4.0519 79982 2024-05-08 17:21:55,480 INFO [main.py:798]
{rank 0/64} MD step = 172700 step time: 00:00:00.425939 Performance: 35.879 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 17:22:01,660 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172700 34540 158.19 7950.3 17338 -9388 -9388 8.7708 8.7818 4.0553 80007 2024-05-08 17:22:40,672 INFO [main.py:798]
{rank 0/64} MD step = 172800 step time: 00:00:00.401192 Performance: 35.880 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 17:22:51,538 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172800 34560 160.72 8488 17615 -9126.9 -9126.9 8.7738 8.7864 4.0561 80048 2024-05-08 17:23:29,971 INFO [main.py:798]
{rank 0/64} MD step = 172900 step time: 00:00:00.395575 Performance: 35.880 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 17:23:35,152 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 172900 34580 159.63 8229.6 17496 -9266.5 -9266.5 8.7806 8.7932 4.0575 80102 2024-05-08 17:24:15,247 INFO [main.py:798]
{rank 0/64} MD step = 173000 step time: 00:00:00.409398 Performance: 35.881 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 17:24:22,755 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173000 34600 161.83 8623.3 17737 -9114 -9114 8.7861 8.8 4.0593 80158 2024-05-08 17:25:03,941 INFO [main.py:798]
{rank 0/64} MD step = 173100 step time: 00:00:00.402316 Performance: 35.881 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 17:25:09,875 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173100 34620 157.93 8101.3 17309 -9207.8 -9207.8 8.7903 8.8038 4.0611 80217 2024-05-08 17:25:49,467 INFO [main.py:798]
{rank 0/64} MD step = 173200 step time: 00:00:00.388496 Performance: 35.882 ns/day 0.669 hours/ns 2.076 steps/s 2024-05-08 17:25:57,003 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173200 34640 161.2 8531.8 17667 -9135.5 -9135.5 8.797 8.8087 4.0649 80276 2024-05-08 17:26:36,604 INFO [main.py:798]
{rank 0/64} MD step = 173300 step time: 00:00:00.424435 Performance: 35.882 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 17:26:45,141 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173300 34660 158.83 8280.1 17409 -9128.4 -9128.4 8.8024 8.8145 4.0664 80330 2024-05-08 17:27:24,855 INFO [main.py:798]
{rank 0/64} MD step = 173400 step time: 00:00:00.389432 Performance: 35.882 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 17:27:32,037 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173400 34680 159.08 8245.9 17436 -9189.9 -9189.9 8.8077 8.8204 4.0681 80364 2024-05-08 17:28:10,687 INFO [main.py:798]
{rank 0/64} MD step = 173500 step time: 00:00:00.398875 Performance: 35.883 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 17:28:17,322 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173500 34700 161.58 8500.8 17709 -9208.6 -9208.6 8.811 8.8251 4.0709 80395 2024-05-08 17:28:56,173 INFO [main.py:798]
{rank 0/64} MD step = 173600 step time: 00:00:00.397498 Performance: 35.884 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 17:29:08,894 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173600 34720 160.25 8386.9 17563 -9176.2 -9176.2 8.8158 8.8305 4.0744 80482 2024-05-08 17:29:47,448 INFO [main.py:798]
{rank 0/64} MD step = 173700 step time: 00:00:00.401740 Performance: 35.883 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 17:29:58,399 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173700 34740 161.03 8466.7 17649 -9182.3 -9182.3 8.8232 8.8371 4.0783 80543 2024-05-08 17:30:37,211 INFO [main.py:798]
{rank 0/64} MD step = 173800 step time: 00:00:00.406798 Performance: 35.882 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 17:30:43,655 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173800 34760 162.07 8503.9 17763 -9259.5 -9259.5 8.8279 8.8415 4.0799 80587 2024-05-08 17:31:22,738 INFO [main.py:798]
{rank 0/64} MD step = 173900 step time: 00:00:00.400133 Performance: 35.883 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 17:31:29,555 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 173900 34780 160.59 8358.1 17601 -9242.8 -9242.8 8.8331 8.8466 4.0828 80641 2024-05-08 17:32:08,468 INFO [main.py:798]
{rank 0/64} MD step = 174000 step time: 00:00:00.399443 Performance: 35.885 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 17:32:15,085 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174000 34800 160.21 8335.9 17560 -9223.8 -9223.8 8.8376 8.8509 4.0861 80655 2024-05-08 17:32:54,563 INFO [main.py:798]
{rank 0/64} MD step = 174100 step time: 00:00:00.411210 Performance: 35.885 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 17:33:02,778 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174100 34820 162.15 8642.2 17772 -9129.6 -9129.6 8.8426 8.8554 4.0878 80722 2024-05-08 17:33:41,078 INFO [main.py:798]
{rank 0/64} MD step = 174200 step time: 00:00:00.397670 Performance: 35.886 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 17:33:48,335 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174200 34840 160.93 8591.3 17638 -9046.4 -9046.4 8.848 8.8625 4.0912 80779 2024-05-08 17:34:27,397 INFO [main.py:798]
{rank 0/64} MD step = 174300 step time: 00:00:00.377133 Performance: 35.887 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 17:34:34,562 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174300 34860 160.35 8421 17575 -9153.6 -9153.6 8.8544 8.8683 4.0932 80822 2024-05-08 17:35:14,078 INFO [main.py:798]
{rank 0/64} MD step = 174400 step time: 00:00:00.388541 Performance: 35.888 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 17:35:20,454 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174400 34880 161.4 8480.6 17690 -9208.9 -9208.9 8.8602 8.871 4.0961 80856 2024-05-08 17:35:59,706 INFO [main.py:798]
{rank 0/64} MD step = 174500 step time: 00:00:00.390567 Performance: 35.889 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 17:36:07,149 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174500 34900 161.65 8674.9 17717 -9042.2 -9042.2 8.864 8.8788 4.0976 80924 2024-05-08 17:36:45,808 INFO [main.py:798]
{rank 0/64} MD step = 174600 step time: 00:00:00.395935 Performance: 35.889 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 17:36:55,935 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174600 34920 159.98 8345.6 17534 -9188 -9188 8.8688 8.8844 4.1022 80976 2024-05-08 17:37:34,893 INFO [main.py:798]
{rank 0/64} MD step = 174700 step time: 00:00:00.342111 Performance: 35.889 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 17:37:40,782 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174700 34940 160.76 8371.7 17619 -9247.7 -9247.7 8.8741 8.8899 4.1069 81013 2024-05-08 17:38:19,473 INFO [main.py:798]
{rank 0/64} MD step = 174800 step time: 00:00:00.386353 Performance: 35.891 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 17:38:26,105 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174800 34960 160.02 8316.6 17538 -9221.4 -9221.4 8.8816 8.8946 4.1098 81058 2024-05-08 17:39:06,428 INFO [main.py:798]
{rank 0/64} MD step = 174900 step time: 00:00:00.403715 Performance: 35.891 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 17:39:11,928 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 174900 34980 160.02 8366.6 17538 -9171.4 -9171.4 8.8872 8.8993 4.1129 81074 2024-05-08 17:39:52,139 INFO [main.py:798]
{rank 0/64} MD step = 175000 step time: 00:00:00.392140 Performance: 35.892 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 17:39:58,754 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 175000 35000 159.3 8351.7 17460 -9108 -9108 8.8932 8.9033 4.1173 81171 2024-05-08 17:40:40,213 INFO [main.py:798]
{rank 0/64} MD step = 175100 step time: 00:00:00.387273 Performance: 35.892 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 17:40:46,583 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 175100 35020 159.78 8231.4 17512 -9280.7 -9280.7 8.8993 8.9068 4.1174 81198 2024-05-08 17:41:26,521 INFO [main.py:798]
{rank 0/64} MD step = 175200 step time: 00:00:00.382630 Performance: 35.893 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 17:41:33,908 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 175200 35040 159.13 8271 17440 -9169.3 -9169.3 8.9039 8.9118 4.1195 81281 2024-05-08 17:42:13,880 INFO [main.py:798]
{rank 0/64} MD step = 175300 step time: 00:00:00.391467 Performance: 35.893 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 17:42:19,232 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 175300 35060 158.92 8198.5 17418 -9219 -9219 8.9099 8.9166 4.12 81332 2024-05-08 17:42:58,575 INFO [main.py:798]
{rank 0/64} MD step = 175400 step time: 00:00:00.379591 Performance: 35.895 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 17:43:05,269 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 175400 35080 156.99 7920.8 17206 -9285.5 -9285.5 8.9135 8.9204 4.1226 81362 2024-05-08 17:43:44,328 INFO [main.py:798]
{rank 0/64} MD step = 175500 step time: 00:00:00.353237 Performance: 35.896 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 17:43:50,853 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 175500 35100 160.44 8402.9 17585 -9181.6 -9181.6 8.9193 8.9266 4.1265 81410 2024-05-08 17:44:31,090 INFO [main.py:798]
{rank 0/64} MD step = 175600 step time: 00:00:00.356083 Performance: 35.896 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 17:44:40,043 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 175600 35120 158.29 8100.1 17349 -9248.7 -9248.7 8.9246 8.9316 4.1312 81437 2024-05-08 17:45:19,137 INFO [main.py:798]
{rank 0/64} MD step = 175700 step time: 00:00:00.356640 Performance: 35.896 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 17:45:25,509 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 175700 35140 161.04 8455.3 17650 -9195 -9195 8.9289 8.9367 4.1328 81504 2024-05-08 17:46:03,913 INFO [main.py:798]
{rank 0/64} MD step = 175800 step time: 00:00:00.371957 Performance: 35.898 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 17:46:09,732 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 175800 35160 159.68 8296.6 17501 -9204 -9204 8.9343 8.9433 4.1356 81564 2024-05-08 17:46:48,839 INFO [main.py:798]
{rank 0/64} MD step = 175900 step time: 00:00:00.380430 Performance: 35.899 ns/day 0.669 hours/ns 2.077 steps/s 2024-05-08 17:46:52,807 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 175900 35180 161.43 8509.5 17693 -9183.7 -9183.7 8.9418 8.9487 4.1371 81628 2024-05-08 17:47:33,117 INFO [main.py:798]
{rank 0/64} MD step = 176000 step time: 00:00:00.374230 Performance: 35.901 ns/day 0.669 hours/ns 2.078 steps/s 2024-05-08 17:47:43,879 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176000 35200 161.16 8569.9 17664 -9093.8 -9093.8 8.9454 8.9536 4.1413 81640 2024-05-08 17:48:22,915 INFO [main.py:798]
{rank 0/64} MD step = 176100 step time: 00:00:00.404496 Performance: 35.900 ns/day 0.669 hours/ns 2.078 steps/s 2024-05-08 17:48:33,779 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176100 35220 159.79 8408 17513 -9105.1 -9105.1 8.9488 8.9587 4.1437 81733 2024-05-08 17:49:12,711 INFO [main.py:798]
{rank 0/64} MD step = 176200 step time: 00:00:00.355678 Performance: 35.899 ns/day 0.669 hours/ns 2.078 steps/s 2024-05-08 17:49:22,033 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176200 35240 162.91 8698.8 17855 -9156.7 -9156.7 8.953 8.965 4.1447 81746 2024-05-08 17:50:01,222 INFO [main.py:798]
{rank 0/64} MD step = 176300 step time: 00:00:00.411431 Performance: 35.899 ns/day 0.669 hours/ns 2.078 steps/s 2024-05-08 17:50:07,453 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176300 35260 160.19 8235 17556 -9321.5 -9321.5 8.9581 8.9707 4.148 81764 2024-05-08 17:50:46,299 INFO [main.py:798]
{rank 0/64} MD step = 176400 step time: 00:00:00.411325 Performance: 35.901 ns/day 0.669 hours/ns 2.078 steps/s 2024-05-08 17:50:53,247 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176400 35280 160.53 8359.6 17594 -9234.8 -9234.8 8.9648 8.9774 4.1517 81827 2024-05-08 17:51:31,135 INFO [main.py:798]
{rank 0/64} MD step = 176500 step time: 00:00:00.380720 Performance: 35.902 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-08 17:51:37,987 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176500 35300 162.28 8566.2 17787 -9220.4 -9220.4 8.9689 8.9813 4.1532 81857 2024-05-08 17:52:18,827 INFO [main.py:798]
{rank 0/64} MD step = 176600 step time: 00:00:00.394928 Performance: 35.902 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-08 17:52:27,891 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176600 35320 160.62 8415.5 17604 -9189 -9189 8.976 8.9863 4.1559 81928 2024-05-08 17:53:07,475 INFO [main.py:798]
{rank 0/64} MD step = 176700 step time: 00:00:00.378873 Performance: 35.902 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-08 17:53:16,323 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176700 35340 159.8 8260 17515 -9254.7 -9254.7 8.9794 8.9928 4.1573 81971 2024-05-08 17:53:56,458 INFO [main.py:798]
{rank 0/64} MD step = 176800 step time: 00:00:00.399339 Performance: 35.902 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-08 17:54:03,198 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176800 35360 160.08 8344.8 17545 -9200.2 -9200.2 8.9844 8.9979 4.1591 82012 2024-05-08 17:54:42,990 INFO [main.py:798]
{rank 0/64} MD step = 176900 step time: 00:00:00.370366 Performance: 35.902 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-08 17:54:49,063 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 176900 35380 160.44 8293.6 17584 -9290.4 -9290.4 8.9878 9.002 4.1636 82065 2024-05-08 17:55:28,114 INFO [main.py:798]
{rank 0/64} MD step = 177000 step time: 00:00:00.407079 Performance: 35.903 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-08 17:55:34,428 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 177000 35400 160.31 8363 17570 -9206.8 -9206.8 8.9928 9.0064 4.1672 82091 2024-05-08 17:56:13,764 INFO [main.py:798]
{rank 0/64} MD step = 177100 step time: 00:00:00.373887 Performance: 35.905 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-08 17:56:27,750 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 177100 35420 160.06 8339.1 17543 -9204.2 -9204.2 8.998 9.0107 4.1705 82114 2024-05-08 17:57:06,637 INFO [main.py:798]
{rank 0/64} MD step = 177200 step time: 00:00:00.386429 Performance: 35.903 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-08 17:57:12,283 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 177200 35440 159.9 8236.3 17526 -9289.4 -9289.4 9.0038 9.0149 4.1722 82165 2024-05-08 17:57:52,274 INFO [main.py:798]
{rank 0/64} MD step = 177300 step time: 00:00:00.366518 Performance: 35.904 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-08 17:57:58,191 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 177300 35460 161.38 8435.2 17688 -9252.5 -9252.5 9.0087 9.0208 4.1759 82192 2024-05-08 17:58:38,824 INFO [main.py:798]
{rank 0/64} MD step = 177400 step time: 00:00:00.383396 Performance: 35.904 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-08 17:58:45,255 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 177400 35480 159.35 8180.9 17465 -9283.8 -9283.8 9.0111 9.0258 4.1792 82214 2024-05-08 17:59:23,963 INFO [main.py:798]
{rank 0/64} MD step = 177500 step time: 00:00:00.368165 Performance: 35.906 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-08 17:59:31,231 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 177500 35500 159.69 8276.2 17502 -9225.8 -9225.8 9.0184 9.0288 4.1839 82268 2024-05-08 18:00:09,619 INFO [main.py:798]
{rank 0/64} MD step = 177600 step time: 00:00:00.375244 Performance: 35.907 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-08 18:00:17,573 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 177600 35520 158.41 8241.5 17362 -9120.7 -9120.7 9.0244 9.0348 4.1861 82352 2024-05-08 18:00:56,968 INFO [main.py:798]
{rank 0/64} MD step = 177700 step time: 00:00:00.352357 Performance: 35.907 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-08 18:01:06,245 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 177700 35540 157.35 8006.3 17246 -9239.3 -9239.3 9.029 9.0393 4.1881 82415 2024-05-08 18:01:47,235 INFO [main.py:798]
{rank 0/64} MD step = 177800 step time: 00:00:00.366982 Performance: 35.906 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-08 18:01:53,213 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 177800 35560 161.55 8531.5 17706 -9175 -9175 9.0337 9.0459 4.1906 82449 2024-05-08 18:02:32,582 INFO [main.py:798]
{rank 0/64} MD step = 177900 step time: 00:00:00.366083 Performance: 35.907 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-08 18:02:39,690 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 177900 35580 159.42 8219 17473 -9253.8 -9253.8 9.039 9.0521 4.1951 82456 2024-05-08 18:03:22,601 INFO [main.py:798]
{rank 0/64} MD step = 178000 step time: 00:00:00.362802 Performance: 35.906 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-08 18:03:35,765 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 178000 35600 161.06 8436.3 17653 -9216.5 -9216.5 9.0468 9.0597 4.1975 82497 2024-05-08 18:04:14,137 INFO [main.py:798]
{rank 0/64} MD step = 178100 step time: 00:00:00.352976 Performance: 35.905 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-08 18:04:21,247 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 178100 35620 160.57 8290.2 17598 -9308 -9308 9.0515 9.0641 4.1991 82556 2024-05-08 18:04:59,959 INFO [main.py:798]
{rank 0/64} MD step = 178200 step time: 00:00:00.391090 Performance: 35.906 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-08 18:05:06,180 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 178200 35640 158.47 8333.7 17369 -9035.1 -9035.1 9.0543 9.071 4.2 82644 2024-05-08 18:05:45,679 INFO [main.py:798]
{rank 0/64} MD step = 178300 step time: 00:00:00.365918 Performance: 35.907 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-08 18:05:51,269 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 178300 35660 160.23 8259.5 17561 -9301.5 -9301.5 9.0606 9.0746 4.2023 82617 2024-05-08 18:06:30,304 INFO [main.py:798]
{rank 0/64} MD step = 178400 step time: 00:00:00.384314 Performance: 35.908 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-08 18:06:36,185 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 178400 35680 160.66 8399 17608 -9209.3 -9209.3 9.0647 9.0796 4.2026 82681 2024-05-08 18:07:14,916 INFO [main.py:798]
{rank 0/64} MD step = 178500 step time: 00:00:00.384254 Performance: 35.910 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-08 18:07:26,889 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 178500 35700 160.01 8322.2 17537 -9215 -9215 9.0698 9.0842 4.2042 82714 2024-05-08 18:08:05,260 INFO [main.py:798]
{rank 0/64} MD step = 178600 step time: 00:00:00.355212 Performance: 35.909 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-08 18:08:11,727 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 178600 35720 160.66 8328 17608 -9280.1 -9280.1 9.0747 9.09 4.2068 82763 2024-05-08 18:08:50,516 INFO [main.py:798]
{rank 0/64} MD step = 178700 step time: 00:00:00.358457 Performance: 35.910 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-08 18:08:56,918 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 178700 35740 158.64 8224 17387 -9162.9 -9162.9 9.0798 9.0961 4.2078 82839 2024-05-08 18:09:37,706 INFO [main.py:798]
{rank 0/64} MD step = 178800 step time: 00:00:00.348388 Performance: 35.910 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-08 18:09:47,093 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 178800 35760 159.05 8283.4 17432 -9148.6 -9148.6 9.0866 9.1022 4.2107 82847 2024-05-08 18:10:25,993 INFO [main.py:798]
{rank 0/64} MD step = 178900 step time: 00:00:00.351096 Performance: 35.910 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-08 18:10:32,601 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 178900 35780 159.02 8284.5 17429 -9144.3 -9144.3 9.0918 9.107 4.2127 82914 2024-05-08 18:11:10,343 INFO [main.py:798]
{rank 0/64} MD step = 179000 step time: 00:00:00.351562 Performance: 35.912 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-08 18:11:16,092 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179000 35800 160.76 8447.1 17619 -9172.1 -9172.1 9.0975 9.1122 4.215 82945 2024-05-08 18:11:55,821 INFO [main.py:798]
{rank 0/64} MD step = 179100 step time: 00:00:00.353454 Performance: 35.913 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-08 18:12:02,628 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179100 35820 159.41 8233.6 17471 -9237.7 -9237.7 9.1017 9.117 4.2154 83011 2024-05-08 18:12:41,783 INFO [main.py:798]
{rank 0/64} MD step = 179200 step time: 00:00:00.337446 Performance: 35.914 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-08 18:12:48,034 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179200 35840 160.56 8524.3 17598 -9073.7 -9073.7 9.1073 9.1219 4.2166 83056 2024-05-08 18:13:27,381 INFO [main.py:798]
{rank 0/64} MD step = 179300 step time: 00:00:00.368421 Performance: 35.915 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-08 18:13:38,610 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179300 35860 160.66 8458.6 17608 -9149.7 -9149.7 9.1119 9.1263 4.2192 83108 2024-05-08 18:14:19,842 INFO [main.py:798]
{rank 0/64} MD step = 179400 step time: 00:00:00.409664 Performance: 35.913 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-08 18:14:26,297 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179400 35880 161.44 8522.3 17694 -9171.7 -9171.7 9.1176 9.1299 4.2234 83179 2024-05-08 18:15:05,826 INFO [main.py:798]
{rank 0/64} MD step = 179500 step time: 00:00:00.427059 Performance: 35.914 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-08 18:15:13,932 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179500 35900 161.21 8390.9 17669 -9277.7 -9277.7 9.1235 9.1343 4.2272 83180 2024-05-08 18:15:54,582 INFO [main.py:798]
{rank 0/64} MD step = 179600 step time: 00:00:00.376745 Performance: 35.914 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-08 18:16:01,006 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179600 35920 157.17 8074.5 17226 -9151.5 -9151.5 9.1303 9.1409 4.2305 83232 2024-05-08 18:16:40,276 INFO [main.py:798]
{rank 0/64} MD step = 179700 step time: 00:00:00.361971 Performance: 35.915 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-08 18:16:52,714 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179700 35940 155.93 7961.1 17090 -9128.8 -9128.8 9.1351 9.147 4.2336 83269 2024-05-08 18:17:32,122 INFO [main.py:798]
{rank 0/64} MD step = 179800 step time: 00:00:00.385456 Performance: 35.913 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-08 18:17:38,228 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179800 35960 161.58 8501.5 17709 -9207.9 -9207.9 9.1418 9.1531 4.2353 83292 2024-05-08 18:18:18,932 INFO [main.py:798]
{rank 0/64} MD step = 179900 step time: 00:00:00.391005 Performance: 35.914 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-08 18:18:26,002 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 179900 35980 160.26 8309.8 17565 -9255.2 -9255.2 9.1452 9.1586 4.2384 83323 2024-05-08 18:19:04,480 INFO [main.py:798]
{rank 0/64} MD step = 180000 step time: 00:00:00.332380 Performance: 35.915 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-08 18:19:11,795 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180000 36000 160 8272.1 17536 -9264.3 -9264.3 9.1505 9.1655 4.2401 83409 2024-05-08 18:19:49,435 INFO [main.py:798]
{rank 0/64} MD step = 180100 step time: 00:00:00.358574 Performance: 35.916 ns/day 0.668 hours/ns 2.078 steps/s 2024-05-08 18:19:56,834 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180100 36020 160.04 8379.5 17541 -9161.3 -9161.3 9.1567 9.1693 4.2411 83441 2024-05-08 18:20:36,649 INFO [main.py:798]
{rank 0/64} MD step = 180200 step time: 00:00:00.407373 Performance: 35.917 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:20:46,526 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180200 36040 160.09 8369 17546 -9177.4 -9177.4 9.1615 9.1736 4.2438 83464 2024-05-08 18:21:24,531 INFO [main.py:798]
{rank 0/64} MD step = 180300 step time: 00:00:00.403615 Performance: 35.917 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:21:30,904 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180300 36060 162.52 8603.2 17813 -9209.4 -9209.4 9.1665 9.1788 4.2461 83504 2024-05-08 18:22:08,541 INFO [main.py:798]
{rank 0/64} MD step = 180400 step time: 00:00:00.417804 Performance: 35.918 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:22:14,857 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180400 36080 156.99 7917.3 17206 -9288.7 -9288.7 9.1723 9.1842 4.2476 83571 2024-05-08 18:22:53,215 INFO [main.py:798]
{rank 0/64} MD step = 180500 step time: 00:00:00.412089 Performance: 35.920 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:23:00,973 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180500 36100 160.14 8359.8 17552 -9192.3 -9192.3 9.1761 9.1913 4.2496 83619 2024-05-08 18:23:41,173 INFO [main.py:798]
{rank 0/64} MD step = 180600 step time: 00:00:00.398718 Performance: 35.920 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:23:47,969 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180600 36120 161.75 8556.3 17728 -9172 -9172 9.1815 9.1969 4.2525 83677 2024-05-08 18:24:26,988 INFO [main.py:798]
{rank 0/64} MD step = 180700 step time: 00:00:00.410620 Performance: 35.921 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:24:32,778 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180700 36140 159.97 8340 17533 -9193.1 -9193.1 9.1855 9.202 4.2559 83726 2024-05-08 18:25:11,122 INFO [main.py:798]
{rank 0/64} MD step = 180800 step time: 00:00:00.387041 Performance: 35.922 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:25:17,725 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180800 36160 160.78 8398.7 17621 -9222.8 -9222.8 9.1911 9.2068 4.2588 83720 2024-05-08 18:25:55,474 INFO [main.py:798]
{rank 0/64} MD step = 180900 step time: 00:00:00.414294 Performance: 35.924 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:26:00,260 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 180900 36180 160.98 8438.2 17643 -9205 -9205 9.1966 9.2134 4.2612 83798 2024-05-08 18:26:39,942 INFO [main.py:798]
{rank 0/64} MD step = 181000 step time: 00:00:00.422054 Performance: 35.925 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:26:46,831 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 181000 36200 159.99 8300.2 17535 -9235.2 -9235.2 9.2008 9.2191 4.2631 83837 2024-05-08 18:27:26,208 INFO [main.py:798]
{rank 0/64} MD step = 181100 step time: 00:00:00.423475 Performance: 35.926 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:27:32,883 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 181100 36220 160.29 8165.1 17568 -9403.3 -9403.3 9.2037 9.222 4.265 83866 2024-05-08 18:28:13,957 INFO [main.py:798]
{rank 0/64} MD step = 181200 step time: 00:00:00.372610 Performance: 35.926 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:28:21,093 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 181200 36240 160.36 8315.4 17576 -9260.3 -9260.3 9.2103 9.2261 4.2668 83930 2024-05-08 18:29:00,492 INFO [main.py:798]
{rank 0/64} MD step = 181300 step time: 00:00:00.369493 Performance: 35.927 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:29:07,845 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 181300 36260 161.42 8373.6 17692 -9317.9 -9317.9 9.2137 9.2308 4.2693 83958 2024-05-08 18:29:45,590 INFO [main.py:798]
{rank 0/64} MD step = 181400 step time: 00:00:00.359063 Performance: 35.928 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:29:54,357 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 181400 36280 159.83 8426.6 17517 -9090.8 -9090.8 9.215 9.2367 4.2718 84009 2024-05-08 18:30:32,588 INFO [main.py:798]
{rank 0/64} MD step = 181500 step time: 00:00:00.393676 Performance: 35.929 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:30:39,423 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 181500 36300 159.27 8134.5 17456 -9321.8 -9321.8 9.2195 9.2404 4.2743 84023 2024-05-08 18:31:20,505 INFO [main.py:798]
{rank 0/64} MD step = 181600 step time: 00:00:00.394338 Performance: 35.929 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:31:31,395 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 181600 36320 160.82 8387.9 17626 -9238.4 -9238.4 9.2243 9.2468 4.2785 84103 2024-05-08 18:32:10,071 INFO [main.py:798]
{rank 0/64} MD step = 181700 step time: 00:00:00.419436 Performance: 35.928 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:32:16,413 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 181700 36340 158.23 8343.4 17343 -8999.3 -8999.3 9.229 9.2526 4.2813 84186 2024-05-08 18:32:56,161 INFO [main.py:798]
{rank 0/64} MD step = 181800 step time: 00:00:00.413954 Performance: 35.929 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:33:02,408 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 181800 36360 162.92 8564.6 17856 -9291.7 -9291.7 9.2339 9.258 4.2843 84200 2024-05-08 18:33:42,829 INFO [main.py:798]
{rank 0/64} MD step = 181900 step time: 00:00:00.386401 Performance: 35.930 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:33:48,933 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 181900 36380 160.57 8446.1 17598 -9152.3 -9152.3 9.2411 9.2641 4.2859 84225 2024-05-08 18:34:27,590 INFO [main.py:798]
{rank 0/64} MD step = 182000 step time: 00:00:00.363938 Performance: 35.931 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:34:43,179 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 182000 36400 160.7 8449.2 17612 -9163.2 -9163.2 9.2428 9.2689 4.2871 84290 2024-05-08 18:35:22,109 INFO [main.py:798]
{rank 0/64} MD step = 182100 step time: 00:00:00.379174 Performance: 35.928 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:35:29,688 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 182100 36420 160.23 8244.9 17561 -9316.4 -9316.4 9.2506 9.2734 4.2922 84295 2024-05-08 18:36:08,803 INFO [main.py:798]
{rank 0/64} MD step = 182200 step time: 00:00:00.937123 Performance: 35.929 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:36:15,303 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 182200 36440 159.57 8325.3 17489 -9163.9 -9163.9 9.2545 9.2799 4.2937 84339 2024-05-08 18:36:54,488 INFO [main.py:798]
{rank 0/64} MD step = 182300 step time: 00:00:00.394460 Performance: 35.930 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:37:02,221 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 182300 36460 157.94 8016.7 17310 -9293.7 -9293.7 9.2598 9.2849 4.2956 84396 2024-05-08 18:37:42,484 INFO [main.py:798]
{rank 0/64} MD step = 182400 step time: 00:00:00.383408 Performance: 35.930 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:37:49,870 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 182400 36480 162.93 8530.6 17857 -9326.7 -9326.7 9.2639 9.2889 4.299 84437 2024-05-08 18:38:27,683 INFO [main.py:798]
{rank 0/64} MD step = 182500 step time: 00:00:00.392427 Performance: 35.931 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:38:34,187 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 182500 36500 161.43 8501.3 17693 -9191.3 -9191.3 9.2701 9.2927 4.3022 84510 2024-05-08 18:39:12,337 INFO [main.py:798]
{rank 0/64} MD step = 182600 step time: 00:00:00.372770 Performance: 35.933 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:39:19,738 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 182600 36520 158.67 8181.9 17390 -9208.5 -9208.5 9.2759 9.2982 4.3037 84520 2024-05-08 18:39:58,109 INFO [main.py:798]
{rank 0/64} MD step = 182700 step time: 00:00:00.401314 Performance: 35.933 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:40:06,715 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 182700 36540 160.94 8562.7 17639 -9076.1 -9076.1 9.2819 9.3019 4.3059 84581 2024-05-08 18:40:44,648 INFO [main.py:798]
{rank 0/64} MD step = 182800 step time: 00:00:00.354392 Performance: 35.934 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 18:40:57,412 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 182800 36560 159.15 8168.7 17443 -9274.6 -9274.6 9.2876 9.3078 4.3076 84627 2024-05-08 18:41:37,305 INFO [main.py:798]
{rank 0/64} MD step = 182900 step time: 00:00:00.372976 Performance: 35.932 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:42:00,730 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 182900 36580 158.68 8071.7 17392 -9320.1 -9320.1 9.2932 9.3128 4.3066 84651 2024-05-08 18:42:38,394 INFO [main.py:798]
{rank 0/64} MD step = 183000 step time: 00:00:00.394886 Performance: 35.927 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:42:58,838 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183000 36600 160.34 8263.1 17573 -9309.9 -9309.9 9.2991 9.3177 4.3079 84715 2024-05-08 18:43:37,348 INFO [main.py:798]
{rank 0/64} MD step = 183100 step time: 00:00:00.387498 Performance: 35.922 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:43:44,432 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183100 36620 162.18 8503.1 17775 -9271.8 -9271.8 9.3046 9.3224 4.311 84748 2024-05-08 18:44:23,890 INFO [main.py:798]
{rank 0/64} MD step = 183200 step time: 00:00:00.409406 Performance: 35.923 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:44:33,233 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183200 36640 160.95 8442.2 17641 -9198.4 -9198.4 9.3098 9.3274 4.3125 84807 2024-05-08 18:45:11,680 INFO [main.py:798]
{rank 0/64} MD step = 183300 step time: 00:00:00.417848 Performance: 35.923 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:45:18,197 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183300 36660 160.05 8426.5 17542 -9115.6 -9115.6 9.3163 9.3322 4.3145 84815 2024-05-08 18:45:57,607 INFO [main.py:798]
{rank 0/64} MD step = 183400 step time: 00:00:00.401876 Performance: 35.924 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:46:03,741 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183400 36680 162.93 8780.3 17857 -9076.5 -9076.5 9.3218 9.3369 4.3156 84903 2024-05-08 18:46:44,780 INFO [main.py:798]
{rank 0/64} MD step = 183500 step time: 00:00:00.386412 Performance: 35.925 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:46:53,140 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183500 36700 157.59 8033.4 17272 -9238.4 -9238.4 9.3262 9.3441 4.3166 84911 2024-05-08 18:47:33,536 INFO [main.py:798]
{rank 0/64} MD step = 183600 step time: 00:00:00.396273 Performance: 35.924 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:47:39,436 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183600 36720 160.59 8341.7 17601 -9259.1 -9259.1 9.3313 9.3512 4.3182 84980 2024-05-08 18:48:19,645 INFO [main.py:798]
{rank 0/64} MD step = 183700 step time: 00:00:00.455149 Performance: 35.925 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:48:25,673 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183700 36740 161.26 8477.5 17674 -9196.7 -9196.7 9.338 9.355 4.323 84996 2024-05-08 18:49:04,874 INFO [main.py:798]
{rank 0/64} MD step = 183800 step time: 00:00:00.427434 Performance: 35.926 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:49:11,700 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183800 36760 157.92 8018.2 17308 -9290.1 -9290.1 9.3428 9.3613 4.3259 85037 2024-05-08 18:49:50,117 INFO [main.py:798]
{rank 0/64} MD step = 183900 step time: 00:00:00.382625 Performance: 35.927 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:49:57,170 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 183900 36780 159.48 8254 17479 -9225.5 -9225.5 9.3462 9.3649 4.329 85106 2024-05-08 18:50:36,842 INFO [main.py:798]
{rank 0/64} MD step = 184000 step time: 00:00:00.430653 Performance: 35.928 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:50:43,139 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184000 36800 159.31 8216 17461 -9244.5 -9244.5 9.3517 9.3691 4.3311 85118 2024-05-08 18:51:20,801 INFO [main.py:798]
{rank 0/64} MD step = 184100 step time: 00:00:00.415524 Performance: 35.930 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:51:28,138 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184100 36820 161.39 8515 17688 -9173.2 -9173.2 9.3585 9.376 4.3337 85182 2024-05-08 18:52:07,006 INFO [main.py:798]
{rank 0/64} MD step = 184200 step time: 00:00:00.373634 Performance: 35.930 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:52:13,126 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184200 36840 159.22 8189.4 17451 -9261.3 -9261.3 9.3634 9.3833 4.3375 85199 2024-05-08 18:52:52,076 INFO [main.py:798]
{rank 0/64} MD step = 184300 step time: 00:00:00.399340 Performance: 35.932 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:53:00,437 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184300 36860 159.3 8197.8 17459 -9261.7 -9261.7 9.367 9.389 4.3382 85242 2024-05-08 18:53:39,957 INFO [main.py:798]
{rank 0/64} MD step = 184400 step time: 00:00:00.397680 Performance: 35.932 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:54:02,725 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184400 36880 160.47 8326.8 17588 -9261.1 -9261.1 9.3718 9.3946 4.3397 85281 2024-05-08 18:54:41,604 INFO [main.py:798]
{rank 0/64} MD step = 184500 step time: 00:00:00.413306 Performance: 35.926 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:54:48,307 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184500 36900 158.61 8122.7 17384 -9261.2 -9261.2 9.376 9.3995 4.342 85319 2024-05-08 18:55:25,851 INFO [main.py:798]
{rank 0/64} MD step = 184600 step time: 00:00:00.373362 Performance: 35.928 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:55:31,688 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184600 36920 158.51 8170 17373 -9203.1 -9203.1 9.3801 9.406 4.3467 85361 2024-05-08 18:56:10,209 INFO [main.py:798]
{rank 0/64} MD step = 184700 step time: 00:00:00.399819 Performance: 35.929 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:56:22,541 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184700 36940 159.57 8229.6 17490 -9260 -9260 9.3858 9.4123 4.3488 85403 2024-05-08 18:57:02,120 INFO [main.py:798]
{rank 0/64} MD step = 184800 step time: 00:00:00.387206 Performance: 35.928 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:57:08,240 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184800 36960 163.59 8813.2 17929 -9116 -9116 9.3904 9.4188 4.3527 85440 2024-05-08 18:57:52,034 INFO [main.py:798]
{rank 0/64} MD step = 184900 step time: 00:00:00.406987 Performance: 35.927 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:57:58,745 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 184900 36980 158.33 8217.8 17353 -9134.8 -9134.8 9.3974 9.4215 4.3549 85491 2024-05-08 18:58:37,070 INFO [main.py:798]
{rank 0/64} MD step = 185000 step time: 00:00:00.374517 Performance: 35.928 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:58:55,646 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 185000 37000 163.34 8775.4 17902 -9126.9 -9126.9 9.4011 9.4268 4.3566 85529 2024-05-08 18:59:34,876 INFO [main.py:798]
{rank 0/64} MD step = 185100 step time: 00:00:00.365335 Performance: 35.924 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 18:59:42,611 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 185100 37020 159.78 8411.3 17512 -9101.1 -9101.1 9.4082 9.4307 4.3581 85583 2024-05-08 19:00:21,064 INFO [main.py:798]
{rank 0/64} MD step = 185200 step time: 00:00:00.345865 Performance: 35.925 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:00:30,729 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 185200 37040 157.78 8217.4 17293 -9075.3 -9075.3 9.4133 9.4353 4.3618 85657 2024-05-08 19:01:09,483 INFO [main.py:798]
{rank 0/64} MD step = 185300 step time: 00:00:00.389256 Performance: 35.925 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:01:18,491 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 185300 37060 159.38 8250.3 17468 -9218 -9218 9.4172 9.4406 4.3646 85671 2024-05-08 19:01:58,427 INFO [main.py:798]
{rank 0/64} MD step = 185400 step time: 00:00:00.335921 Performance: 35.925 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:02:15,743 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 185400 37080 160.97 8396.2 17643 -9246.6 -9246.6 9.4217 9.4442 4.3679 85700 2024-05-08 19:02:54,762 INFO [main.py:798]
{rank 0/64} MD step = 185500 step time: 00:00:00.399043 Performance: 35.921 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:03:00,907 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 185500 37100 160 8285.4 17536 -9251 -9251 9.4258 9.4504 4.3714 85752 2024-05-08 19:03:39,159 INFO [main.py:798]
{rank 0/64} MD step = 185600 step time: 00:00:00.352675 Performance: 35.923 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:03:51,134 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 185600 37120 161.74 8622.5 17727 -9104.7 -9104.7 9.4295 9.4546 4.374 85824 2024-05-08 19:04:29,313 INFO [main.py:798]
{rank 0/64} MD step = 185700 step time: 00:00:00.397681 Performance: 35.922 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:04:36,429 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 185700 37140 161.65 8523.2 17717 -9193.7 -9193.7 9.4366 9.4595 4.3768 85877 2024-05-08 19:05:15,426 INFO [main.py:798]
{rank 0/64} MD step = 185800 step time: 00:00:00.402365 Performance: 35.923 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:05:21,524 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 185800 37160 159.81 8402.3 17515 -9113.2 -9113.2 9.4416 9.4654 4.3783 85928 2024-05-08 19:06:00,329 INFO [main.py:798]
{rank 0/64} MD step = 185900 step time: 00:00:00.369025 Performance: 35.924 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:06:06,702 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 185900 37180 159.42 8277.8 17472 -9194.4 -9194.4 9.4466 9.4718 4.3796 85975 2024-05-08 19:06:46,095 INFO [main.py:798]
{rank 0/64} MD step = 186000 step time: 00:00:00.385377 Performance: 35.925 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:06:53,757 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 186000 37200 159.42 8311.8 17473 -9161.2 -9161.2 9.4537 9.4768 4.3832 86012 2024-05-08 19:07:32,765 INFO [main.py:798]
{rank 0/64} MD step = 186100 step time: 00:00:00.383293 Performance: 35.926 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:07:40,696 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 186100 37220 158.43 8291.1 17364 -9073.4 -9073.4 9.4583 9.4813 4.385 86073 2024-05-08 19:08:18,221 INFO [main.py:798]
{rank 0/64} MD step = 186200 step time: 00:00:00.348886 Performance: 35.927 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:08:27,617 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 186200 37240 162.34 8637.3 17793 -9155.7 -9155.7 9.4618 9.4856 4.3876 86112 2024-05-08 19:09:08,130 INFO [main.py:798]
{rank 0/64} MD step = 186300 step time: 00:00:00.406614 Performance: 35.926 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:09:14,313 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 186300 37260 159.2 8297.9 17449 -9151.1 -9151.1 9.4675 9.4902 4.3918 86167 2024-05-08 19:09:53,336 INFO [main.py:798]
{rank 0/64} MD step = 186400 step time: 00:00:00.401431 Performance: 35.927 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:09:59,892 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 186400 37280 158.3 8103 17350 -9247 -9247 9.4732 9.4957 4.3952 86186 2024-05-08 19:10:40,826 INFO [main.py:798]
{rank 0/64} MD step = 186500 step time: 00:00:00.396432 Performance: 35.927 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:10:46,740 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 186500 37300 159.49 8301.5 17481 -9179.3 -9179.3 9.4794 9.5019 4.3986 86274 2024-05-08 19:11:25,859 INFO [main.py:798]
{rank 0/64} MD step = 186600 step time: 00:00:00.356633 Performance: 35.929 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:11:32,675 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 186600 37320 161.73 8557.8 17726 -9168.2 -9168.2 9.4841 9.5062 4.4 86319 2024-05-08 19:12:11,598 INFO [main.py:798]
{rank 0/64} MD step = 186700 step time: 00:00:00.359426 Performance: 35.929 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:12:17,990 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 186700 37340 161.39 8479.3 17689 -9209.4 -9209.4 9.4884 9.5107 4.4042 86352 2024-05-08 19:12:57,627 INFO [main.py:798]
{rank 0/64} MD step = 186800 step time: 00:00:00.357658 Performance: 35.930 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:13:11,036 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 186800 37360 163.17 8594.8 17884 -9289.2 -9289.2 9.4934 9.5145 4.407 86378 2024-05-08 19:13:51,452 INFO [main.py:798]
{rank 0/64} MD step = 186900 step time: 00:00:00.393511 Performance: 35.928 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:14:00,337 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 186900 37380 158.11 8142.6 17329 -9185.9 -9185.9 9.4998 9.5195 4.4088 86415 2024-05-08 19:14:38,426 INFO [main.py:798]
{rank 0/64} MD step = 187000 step time: 00:00:00.431068 Performance: 35.928 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:14:44,850 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187000 37400 162.01 8465.2 17756 -9290.8 -9290.8 9.5061 9.5242 4.409 86476 2024-05-08 19:15:24,026 INFO [main.py:798]
{rank 0/64} MD step = 187100 step time: 00:00:00.408625 Performance: 35.929 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:15:32,083 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187100 37420 158.52 8196 17374 -9178.2 -9178.2 9.5118 9.5299 4.4115 86527 2024-05-08 19:16:10,638 INFO [main.py:798]
{rank 0/64} MD step = 187200 step time: 00:00:00.388678 Performance: 35.930 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:16:22,647 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187200 37440 160.56 8385.8 17598 -9212.3 -9212.3 9.5177 9.534 4.4145 86570 2024-05-08 19:17:00,759 INFO [main.py:798]
{rank 0/64} MD step = 187300 step time: 00:00:00.382028 Performance: 35.929 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:17:07,710 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187300 37460 157.78 8133.4 17293 -9159.7 -9159.7 9.5233 9.5388 4.4157 86585 2024-05-08 19:17:46,851 INFO [main.py:798]
{rank 0/64} MD step = 187400 step time: 00:00:00.413334 Performance: 35.930 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:17:54,442 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187400 37480 158.97 8273.3 17423 -9150.1 -9150.1 9.5302 9.5445 4.417 86662 2024-05-08 19:18:32,436 INFO [main.py:798]
{rank 0/64} MD step = 187500 step time: 00:00:00.389922 Performance: 35.931 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:18:39,611 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187500 37500 160.14 8323.6 17551 -9227.9 -9227.9 9.5344 9.5501 4.4203 86725 2024-05-08 19:19:19,299 INFO [main.py:798]
{rank 0/64} MD step = 187600 step time: 00:00:00.405547 Performance: 35.932 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:19:26,243 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187600 37520 158.91 8112.8 17417 -9304.3 -9304.3 9.5397 9.5565 4.4236 86766 2024-05-08 19:20:05,176 INFO [main.py:798]
{rank 0/64} MD step = 187700 step time: 00:00:00.405485 Performance: 35.932 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:20:12,859 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187700 37540 161.01 8387.3 17647 -9259.9 -9259.9 9.5436 9.5592 4.4272 86773 2024-05-08 19:20:52,059 INFO [main.py:798]
{rank 0/64} MD step = 187800 step time: 00:00:00.372737 Performance: 35.933 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:21:01,825 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187800 37560 157.65 8179.6 17279 -9099 -9099 9.5507 9.5653 4.43 86843 2024-05-08 19:21:41,071 INFO [main.py:798]
{rank 0/64} MD step = 187900 step time: 00:00:00.378320 Performance: 35.933 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:21:51,190 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 187900 37580 161.23 8441.1 17671 -9229.9 -9229.9 9.5565 9.5691 4.4335 86861 2024-05-08 19:22:31,553 INFO [main.py:798]
{rank 0/64} MD step = 188000 step time: 00:00:00.371807 Performance: 35.932 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:22:42,453 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 188000 37600 160.13 8335.1 17550 -9214.9 -9214.9 9.5626 9.5729 4.4351 86930 2024-05-08 19:23:21,234 INFO [main.py:798]
{rank 0/64} MD step = 188100 step time: 00:00:00.405987 Performance: 35.931 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:23:31,546 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 188100 37620 159.42 8300.3 17473 -9172.8 -9172.8 9.5648 9.5787 4.4363 87013 2024-05-08 19:24:09,953 INFO [main.py:798]
{rank 0/64} MD step = 188200 step time: 00:00:00.414352 Performance: 35.931 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:24:16,840 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 188200 37640 160.98 8422.3 17644 -9221.7 -9221.7 9.571 9.584 4.4382 87025 2024-05-08 19:24:55,957 INFO [main.py:798]
{rank 0/64} MD step = 188300 step time: 00:00:00.400558 Performance: 35.932 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:25:02,180 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 188300 37660 162.12 8540.3 17768 -9228.1 -9228.1 9.5754 9.5883 4.442 87061 2024-05-08 19:25:42,011 INFO [main.py:798]
{rank 0/64} MD step = 188400 step time: 00:00:00.422193 Performance: 35.932 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:25:50,640 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 188400 37680 159.73 8372.8 17507 -9134.1 -9134.1 9.5814 9.5921 4.4442 87146 2024-05-08 19:26:29,742 INFO [main.py:798]
{rank 0/64} MD step = 188500 step time: 00:00:00.419713 Performance: 35.932 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:26:36,436 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 188500 37700 159.18 8317.8 17447 -9129.1 -9129.1 9.5874 9.5977 4.4473 87166 2024-05-08 19:27:14,118 INFO [main.py:798]
{rank 0/64} MD step = 188600 step time: 00:00:00.382871 Performance: 35.934 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 19:27:23,163 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 188600 37720 158.79 8313.8 17403 -9089.4 -9089.4 9.5921 9.6015 4.4495 87220 2024-05-08 19:28:02,920 INFO [main.py:798]
{rank 0/64} MD step = 188700 step time: 00:00:00.388982 Performance: 35.934 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:28:22,583 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 188700 37740 161.37 8456.6 17687 -9229.9 -9229.9 9.5982 9.6076 4.4524 87251 2024-05-08 19:29:06,519 INFO [main.py:798]
{rank 0/64} MD step = 188800 step time: 00:00:00.388439 Performance: 35.928 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:29:17,336 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 188800 37760 159.1 8305.2 17438 -9132.7 -9132.7 9.6042 9.6149 4.4555 87302 2024-05-08 19:29:56,284 INFO [main.py:798]
{rank 0/64} MD step = 188900 step time: 00:00:00.384323 Performance: 35.927 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:30:02,289 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 188900 37780 158.8 8197.9 17405 -9207.2 -9207.2 9.6104 9.6214 4.4575 87320 2024-05-08 19:30:40,878 INFO [main.py:798]
{rank 0/64} MD step = 189000 step time: 00:00:00.348586 Performance: 35.928 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:30:48,947 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189000 37800 159 8205.8 17427 -9221.2 -9221.2 9.6144 9.628 4.4601 87395 2024-05-08 19:31:27,011 INFO [main.py:798]
{rank 0/64} MD step = 189100 step time: 00:00:00.354269 Performance: 35.929 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:31:33,251 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189100 37820 160.16 8372.1 17554 -9181.8 -9181.8 9.6198 9.6334 4.4619 87446 2024-05-08 19:32:12,694 INFO [main.py:798]
{rank 0/64} MD step = 189200 step time: 00:00:00.369842 Performance: 35.930 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:32:18,818 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189200 37840 161.07 8597.4 17654 -9056.1 -9056.1 9.6251 9.6418 4.4644 87499 2024-05-08 19:32:57,939 INFO [main.py:798]
{rank 0/64} MD step = 189300 step time: 00:00:00.370903 Performance: 35.931 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:33:06,418 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189300 37860 157.14 7963.7 17223 -9258.8 -9258.8 9.6311 9.6467 4.4672 87515 2024-05-08 19:33:46,307 INFO [main.py:798]
{rank 0/64} MD step = 189400 step time: 00:00:00.438357 Performance: 35.931 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:33:53,611 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189400 37880 159.7 8352.7 17503 -9150.4 -9150.4 9.6344 9.6505 4.469 87552 2024-05-08 19:34:32,549 INFO [main.py:798]
{rank 0/64} MD step = 189500 step time: 00:00:00.395725 Performance: 35.932 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:34:39,061 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189500 37900 160.88 8389.3 17633 -9243.3 -9243.3 9.6376 9.6552 4.473 87608 2024-05-08 19:35:17,711 INFO [main.py:798]
{rank 0/64} MD step = 189600 step time: 00:00:00.370350 Performance: 35.933 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:35:25,083 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189600 37920 159.44 8199.1 17475 -9276 -9276 9.6429 9.6593 4.4742 87620 2024-05-08 19:36:03,147 INFO [main.py:798]
{rank 0/64} MD step = 189700 step time: 00:00:00.363455 Performance: 35.934 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 19:36:32,261 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189700 37940 160.95 8510 17640 -9130 -9130 9.6467 9.6628 4.4774 87679 2024-05-08 19:37:11,145 INFO [main.py:798]
{rank 0/64} MD step = 189800 step time: 00:00:00.401862 Performance: 35.926 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:37:19,753 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189800 37960 158.52 8167.8 17374 -9205.9 -9205.9 9.6524 9.6687 4.4801 87726 2024-05-08 19:37:59,805 INFO [main.py:798]
{rank 0/64} MD step = 189900 step time: 00:00:00.389615 Performance: 35.926 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:38:32,129 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 189900 37980 158.94 8328.9 17420 -9091.5 -9091.5 9.6564 9.6755 4.4815 87768 2024-05-08 19:39:09,524 INFO [main.py:798]
{rank 0/64} MD step = 190000 step time: 00:00:00.370307 Performance: 35.917 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:39:18,110 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 190000 38000 158.74 8123.1 17399 -9275.6 -9275.6 9.6648 9.6802 4.4838 87797 2024-05-08 19:39:59,157 INFO [main.py:798]
{rank 0/64} MD step = 190100 step time: 00:00:00.348309 Performance: 35.917 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:40:07,188 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 190100 38020 163.1 8640.5 17876 -9235.2 -9235.2 9.6693 9.6841 4.4855 87851 2024-05-08 19:40:46,568 INFO [main.py:798]
{rank 0/64} MD step = 190200 step time: 00:00:00.418110 Performance: 35.917 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:40:52,802 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 190200 38040 161.19 8482.7 17666 -9183.5 -9183.5 9.6742 9.6912 4.4883 87872 2024-05-08 19:41:30,730 INFO [main.py:798]
{rank 0/64} MD step = 190300 step time: 00:00:00.388082 Performance: 35.919 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:41:37,409 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 190300 38060 161.89 8460.2 17743 -9283.2 -9283.2 9.6775 9.696 4.4901 87938 2024-05-08 19:42:18,834 INFO [main.py:798]
{rank 0/64} MD step = 190400 step time: 00:00:00.414670 Performance: 35.919 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:42:25,633 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 190400 38080 160.85 8350.3 17629 -9278.6 -9278.6 9.6827 9.7017 4.4918 88002 2024-05-08 19:43:04,370 INFO [main.py:798]
{rank 0/64} MD step = 190500 step time: 00:00:00.378555 Performance: 35.920 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:43:18,219 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 190500 38100 158.72 8163.2 17396 -9233.2 -9233.2 9.6883 9.7068 4.4947 88028 2024-05-08 19:43:57,058 INFO [main.py:798]
{rank 0/64} MD step = 190600 step time: 00:00:00.401472 Performance: 35.918 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:44:04,053 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 190600 38120 159.5 8226.8 17481 -9254.7 -9254.7 9.6935 9.7113 4.4978 88093 2024-05-08 19:44:41,296 INFO [main.py:798]
{rank 0/64} MD step = 190700 step time: 00:00:00.418565 Performance: 35.919 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:44:48,782 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 190700 38140 159.66 8335.5 17499 -9163.2 -9163.2 9.6973 9.7168 4.4986 88144 2024-05-08 19:45:28,303 INFO [main.py:798]
{rank 0/64} MD step = 190800 step time: 00:00:00.427796 Performance: 35.920 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:45:35,225 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 190800 38160 158.36 7962.8 17357 -9393.8 -9393.8 9.7021 9.721 4.501 88179 2024-05-08 19:46:13,872 INFO [main.py:798]
{rank 0/64} MD step = 190900 step time: 00:00:00.395744 Performance: 35.921 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:46:20,824 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 190900 38180 159.68 8345.3 17502 -9156.3 -9156.3 9.7074 9.7265 4.5033 88231 2024-05-08 19:46:59,658 INFO [main.py:798]
{rank 0/64} MD step = 191000 step time: 00:00:00.379516 Performance: 35.922 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:47:05,747 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191000 38200 159.82 8359.8 17516 -9156.3 -9156.3 9.7132 9.7336 4.5046 88250 2024-05-08 19:47:44,418 INFO [main.py:798]
{rank 0/64} MD step = 191100 step time: 00:00:00.385981 Performance: 35.923 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:47:48,846 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191100 38220 159.06 8261.6 17433 -9171.5 -9171.5 9.7183 9.7385 4.5072 88298 2024-05-08 19:48:28,792 INFO [main.py:798]
{rank 0/64} MD step = 191200 step time: 00:00:00.402956 Performance: 35.924 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:48:34,606 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191200 38240 160.18 8381.4 17556 -9175 -9175 9.7242 9.7437 4.5082 88343 2024-05-08 19:49:13,541 INFO [main.py:798]
{rank 0/64} MD step = 191300 step time: 00:00:00.382576 Performance: 35.926 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:49:19,959 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191300 38260 158.65 8281.2 17389 -9107.5 -9107.5 9.7291 9.7473 4.5102 88400 2024-05-08 19:49:59,023 INFO [main.py:798]
{rank 0/64} MD step = 191400 step time: 00:00:00.399690 Performance: 35.927 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:50:04,907 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191400 38280 158.82 8216.3 17407 -9190.9 -9190.9 9.7353 9.7525 4.5156 88434 2024-05-08 19:50:44,178 INFO [main.py:798]
{rank 0/64} MD step = 191500 step time: 00:00:00.383365 Performance: 35.928 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:50:52,620 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191500 38300 159.48 8395.4 17480 -9084.2 -9084.2 9.7387 9.7573 4.5167 88476 2024-05-08 19:51:31,054 INFO [main.py:798]
{rank 0/64} MD step = 191600 step time: 00:00:00.421496 Performance: 35.928 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:51:46,677 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191600 38320 158.86 8145.5 17411 -9265.6 -9265.6 9.743 9.7624 4.52 88504 2024-05-08 19:52:24,026 INFO [main.py:798]
{rank 0/64} MD step = 191700 step time: 00:00:00.388870 Performance: 35.926 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:52:31,444 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191700 38340 161.66 8503.1 17718 -9214.7 -9214.7 9.7484 9.7682 4.5239 88558 2024-05-08 19:53:09,708 INFO [main.py:798]
{rank 0/64} MD step = 191800 step time: 00:00:00.386946 Performance: 35.927 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:53:19,323 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191800 38360 161.29 8452.3 17677 -9224.8 -9224.8 9.7521 9.7752 4.5269 88603 2024-05-08 19:53:58,028 INFO [main.py:798]
{rank 0/64} MD step = 191900 step time: 00:00:00.383462 Performance: 35.927 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:54:04,797 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 191900 38380 161.09 8541.6 17655 -9113.8 -9113.8 9.7569 9.7794 4.5296 88691 2024-05-08 19:54:45,267 INFO [main.py:798]
{rank 0/64} MD step = 192000 step time: 00:00:00.427513 Performance: 35.928 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:54:51,936 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 192000 38400 162.81 8716.7 17844 -9127.2 -9127.2 9.7641 9.7848 4.5324 88720 2024-05-08 19:55:33,859 INFO [main.py:798]
{rank 0/64} MD step = 192100 step time: 00:00:00.422220 Performance: 35.927 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:55:46,800 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 192100 38420 159.83 8349 17518 -9168.7 -9168.7 9.7699 9.791 4.5335 88748 2024-05-08 19:56:25,197 INFO [main.py:798]
{rank 0/64} MD step = 192200 step time: 00:00:00.408306 Performance: 35.926 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:56:32,791 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 192200 38440 159.38 8275 17468 -9193.5 -9193.5 9.7731 9.7969 4.534 88792 2024-05-08 19:57:10,584 INFO [main.py:798]
{rank 0/64} MD step = 192300 step time: 00:00:00.423258 Performance: 35.927 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:57:21,603 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 192300 38460 159.68 8256 17501 -9245.2 -9245.2 9.7767 9.7996 4.5369 88844 2024-05-08 19:58:00,357 INFO [main.py:798]
{rank 0/64} MD step = 192400 step time: 00:00:00.395984 Performance: 35.927 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:58:10,973 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 192400 38480 158.93 8182.4 17419 -9236.6 -9236.6 9.783 9.8041 4.5384 88886 2024-05-08 19:58:50,865 INFO [main.py:798]
{rank 0/64} MD step = 192500 step time: 00:00:00.370095 Performance: 35.926 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 19:58:57,150 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 192500 38500 158.37 8143.4 17358 -9214.3 -9214.3 9.7895 9.8095 4.5428 88942 2024-05-08 19:59:37,565 INFO [main.py:798]
{rank 0/64} MD step = 192600 step time: 00:00:00.359686 Performance: 35.926 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 20:00:01,099 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 192600 38520 161.19 8305.2 17667 -9361.4 -9361.4 9.7943 9.817 4.5442 88950 2024-05-08 20:00:42,840 INFO [main.py:798]
{rank 0/64} MD step = 192700 step time: 00:00:00.348080 Performance: 35.920 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 20:00:50,264 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 192700 38540 158.97 8144.8 17423 -9278.5 -9278.5 9.7979 9.8234 4.5458 89039 2024-05-08 20:01:28,168 INFO [main.py:798]
{rank 0/64} MD step = 192800 step time: 00:00:00.366921 Performance: 35.921 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 20:01:34,650 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 192800 38560 160.62 8457.8 17605 -9146.8 -9146.8 9.8028 9.8295 4.5496 89098 2024-05-08 20:02:15,313 INFO [main.py:798]
{rank 0/64} MD step = 192900 step time: 00:00:00.392247 Performance: 35.921 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 20:02:24,941 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 192900 38580 161.15 8476.8 17662 -9185.5 -9185.5 9.8065 9.8347 4.5504 89143 2024-05-08 20:03:03,100 INFO [main.py:798]
{rank 0/64} MD step = 193000 step time: 00:00:00.363387 Performance: 35.921 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 20:03:09,877 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193000 38600 161.13 8401.8 17661 -9258.8 -9258.8 9.8122 9.8395 4.5538 89176 2024-05-08 20:03:53,272 INFO [main.py:798]
{rank 0/64} MD step = 193100 step time: 00:00:00.373261 Performance: 35.920 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 20:03:58,944 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193100 38620 159.93 8273.6 17528 -9254.6 -9254.6 9.8175 9.8464 4.5565 89242 2024-05-08 20:04:37,098 INFO [main.py:798]
{rank 0/64} MD step = 193200 step time: 00:00:00.363226 Performance: 35.922 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 20:04:43,660 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193200 38640 163.15 8650.9 17882 -9231 -9231 9.823 9.8545 4.5588 89300 2024-05-08 20:05:22,974 INFO [main.py:798]
{rank 0/64} MD step = 193300 step time: 00:00:00.363387 Performance: 35.923 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 20:05:30,109 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193300 38660 161.25 8539.2 17673 -9133.6 -9133.6 9.8268 9.8582 4.5639 89338 2024-05-08 20:06:08,114 INFO [main.py:798]
{rank 0/64} MD step = 193400 step time: 00:00:00.392998 Performance: 35.924 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 20:06:14,374 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193400 38680 159.57 8400.9 17489 -9088 -9088 9.8324 9.8637 4.5675 89387 2024-05-08 20:06:54,317 INFO [main.py:798]
{rank 0/64} MD step = 193500 step time: 00:00:00.372018 Performance: 35.925 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 20:07:03,035 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193500 38700 157.53 8121.9 17266 -9143.9 -9143.9 9.8379 9.8681 4.5708 89416 2024-05-08 20:07:41,833 INFO [main.py:798]
{rank 0/64} MD step = 193600 step time: 00:00:00.356822 Performance: 35.925 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 20:07:52,367 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193600 38720 158.79 8297.8 17404 -9105.7 -9105.7 9.8438 9.8714 4.5745 89444 2024-05-08 20:08:30,698 INFO [main.py:798]
{rank 0/64} MD step = 193700 step time: 00:00:00.380213 Performance: 35.925 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 20:08:39,685 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193700 38740 159.43 8310 17474 -9164 -9164 9.8486 9.8758 4.5769 89507 2024-05-08 20:09:17,492 INFO [main.py:798]
{rank 0/64} MD step = 193800 step time: 00:00:00.387705 Performance: 35.925 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 20:09:27,293 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193800 38760 160.93 8435 17638 -9203.1 -9203.1 9.8521 9.8821 4.5793 89527 2024-05-08 20:10:05,350 INFO [main.py:798]
{rank 0/64} MD step = 193900 step time: 00:00:00.412339 Performance: 35.925 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 20:10:12,141 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 193900 38780 160.65 8495.4 17608 -9112.5 -9112.5 9.857 9.8865 4.5801 89574 2024-05-08 20:10:51,565 INFO [main.py:798]
{rank 0/64} MD step = 194000 step time: 00:00:00.429004 Performance: 35.926 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 20:10:59,519 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 194000 38800 160.76 8411.5 17620 -9208.3 -9208.3 9.8623 9.8918 4.5822 89590 2024-05-08 20:11:39,181 INFO [main.py:798]
{rank 0/64} MD step = 194100 step time: 00:00:00.409141 Performance: 35.926 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 20:11:46,343 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 194100 38820 161.32 8524.1 17681 -9156.4 -9156.4 9.867 9.8962 4.584 89658 2024-05-08 20:12:26,050 INFO [main.py:798]
{rank 0/64} MD step = 194200 step time: 00:00:00.409966 Performance: 35.927 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 20:12:32,129 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 194200 38840 160.16 8533.8 17554 -9020.4 -9020.4 9.8721 9.9035 4.5864 89710 2024-05-08 20:13:11,389 INFO [main.py:798]
{rank 0/64} MD step = 194300 step time: 00:00:00.399133 Performance: 35.928 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 20:13:16,419 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 194300 38860 160.43 8504.5 17583 -9078.7 -9078.7 9.8764 9.9076 4.5897 89741 2024-05-08 20:13:54,675 INFO [main.py:798]
{rank 0/64} MD step = 194400 step time: 00:00:00.352413 Performance: 35.930 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 20:14:02,231 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 194400 38880 159.77 8346.2 17511 -9165.3 -9165.3 9.8796 9.9115 4.5905 89772 2024-05-08 20:14:40,725 INFO [main.py:798]
{rank 0/64} MD step = 194500 step time: 00:00:00.379507 Performance: 35.930 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 20:14:47,424 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 194500 38900 159.84 8473.3 17519 -9045.4 -9045.4 9.8846 9.9159 4.5923 89828 2024-05-08 20:15:25,999 INFO [main.py:798]
{rank 0/64} MD step = 194600 step time: 00:00:00.386183 Performance: 35.931 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 20:15:35,963 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 194600 38920 161.65 8346.9 17717 -9370.3 -9370.3 9.8886 9.9212 4.592 89899 2024-05-08 20:16:14,126 INFO [main.py:798]
{rank 0/64} MD step = 194700 step time: 00:00:00.398709 Performance: 35.931 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 20:16:20,893 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 194700 38940 158.38 8153.8 17358 -9204.6 -9204.6 9.8925 9.926 4.5943 89961 2024-05-08 20:17:01,014 INFO [main.py:798]
{rank 0/64} MD step = 194800 step time: 00:00:00.373925 Performance: 35.932 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 20:17:09,112 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 194800 38960 159.31 8314.6 17460 -9145.8 -9145.8 9.8979 9.9318 4.5988 90016 2024-05-08 20:17:47,432 INFO [main.py:798]
{rank 0/64} MD step = 194900 step time: 00:00:00.382468 Performance: 35.933 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 20:17:52,567 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 194900 38980 158.02 8218.8 17319 -9099.8 -9099.8 9.9032 9.9358 4.6 90095 2024-05-08 20:18:31,583 INFO [main.py:798]
{rank 0/64} MD step = 195000 step time: 00:00:00.378562 Performance: 35.934 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:18:39,393 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 195000 39000 161.35 8401.1 17684 -9283.3 -9283.3 9.9063 9.9404 4.6037 90104 2024-05-08 20:19:17,956 INFO [main.py:798]
{rank 0/64} MD step = 195100 step time: 00:00:00.395822 Performance: 35.935 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:19:26,785 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 195100 39020 160.98 8462.5 17643 -9180.8 -9180.8 9.9121 9.9455 4.6063 90173 2024-05-08 20:20:05,788 INFO [main.py:798]
{rank 0/64} MD step = 195200 step time: 00:00:00.391697 Performance: 35.935 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:20:12,412 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 195200 39040 158.99 8220.2 17426 -9205.4 -9205.4 9.9171 9.9501 4.6084 90223 2024-05-08 20:20:52,920 INFO [main.py:798]
{rank 0/64} MD step = 195300 step time: 00:00:00.363690 Performance: 35.935 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:20:57,809 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 195300 39060 161.67 8468.9 17720 -9250.8 -9250.8 9.9223 9.9536 4.6098 90237 2024-05-08 20:21:38,303 INFO [main.py:798]
{rank 0/64} MD step = 195400 step time: 00:00:00.372727 Performance: 35.936 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:21:45,664 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 195400 39080 161.95 8562.4 17750 -9188.1 -9188.1 9.9273 9.9588 4.6115 90309 2024-05-08 20:22:23,442 INFO [main.py:798]
{rank 0/64} MD step = 195500 step time: 00:00:00.343809 Performance: 35.937 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:22:31,636 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 195500 39100 159.57 8257 17490 -9232.5 -9232.5 9.933 9.9638 4.6139 90351 2024-05-08 20:23:11,478 INFO [main.py:798]
{rank 0/64} MD step = 195600 step time: 00:00:00.389462 Performance: 35.937 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:23:18,118 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 195600 39120 160 8388.2 17537 -9148.4 -9148.4 9.9381 9.9687 4.6152 90443 2024-05-08 20:23:56,620 INFO [main.py:798]
{rank 0/64} MD step = 195700 step time: 00:00:00.382204 Performance: 35.938 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:24:03,028 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 195700 39140 161.86 8531.1 17740 -9208.8 -9208.8 9.9425 9.9736 4.6195 90447 2024-05-08 20:24:41,820 INFO [main.py:798]
{rank 0/64} MD step = 195800 step time: 00:00:00.389830 Performance: 35.940 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:24:53,573 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 195800 39160 162.44 8697.2 17804 -9106.6 -9106.6 9.9463 9.9791 4.6209 90553 2024-05-08 20:25:32,839 INFO [main.py:798]
{rank 0/64} MD step = 195900 step time: 00:00:00.382292 Performance: 35.938 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:25:49,058 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 195900 39180 157.67 8000.4 17281 -9280.3 -9280.3 9.9518 9.9838 4.6248 90565 2024-05-08 20:26:27,736 INFO [main.py:798]
{rank 0/64} MD step = 196000 step time: 00:00:00.372900 Performance: 35.936 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:26:43,128 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 196000 39200 158.88 8128.9 17414 -9284.9 -9284.9 9.9564 9.9904 4.6263 90616 2024-05-08 20:27:21,080 INFO [main.py:798]
{rank 0/64} MD step = 196100 step time: 00:00:00.366138 Performance: 35.934 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:27:26,842 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 196100 39220 161.31 8493.3 17680 -9187 -9187 9.9617 9.995 4.6274 90658 2024-05-08 20:28:05,560 INFO [main.py:798]
{rank 0/64} MD step = 196200 step time: 00:00:00.401331 Performance: 35.935 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:28:19,474 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 196200 39240 161.01 8435.1 17647 -9211.8 -9211.8 9.9665 10.001 4.6301 90714 2024-05-08 20:28:59,348 INFO [main.py:798]
{rank 0/64} MD step = 196300 step time: 00:00:00.403832 Performance: 35.933 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 20:29:12,201 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 196300 39260 160.76 8358.3 17620 -9261.3 -9261.3 9.9702 10.006 4.6331 90758 2024-05-08 20:29:50,555 INFO [main.py:798]
{rank 0/64} MD step = 196400 step time: 00:00:00.397867 Performance: 35.932 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 20:29:56,938 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 196400 39280 162.05 8372.2 17761 -9388.5 -9388.5 9.9778 10.009 4.6369 90784 2024-05-08 20:30:35,869 INFO [main.py:798]
{rank 0/64} MD step = 196500 step time: 00:00:00.402634 Performance: 35.933 ns/day 0.668 hours/ns 2.079 steps/s 2024-05-08 20:30:43,703 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 196500 39300 158.88 8223.7 17414 -9190.3 -9190.3 9.9835 10.014 4.6387 90820 2024-05-08 20:31:20,247 INFO [main.py:798]
{rank 0/64} MD step = 196600 step time: 00:00:00.365944 Performance: 35.934 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:31:27,320 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 196600 39320 160.7 8358.8 17613 -9253.9 -9253.9 9.9882 10.019 4.6415 90877 2024-05-08 20:32:07,011 INFO [main.py:798]
{rank 0/64} MD step = 196700 step time: 00:00:00.402396 Performance: 35.935 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:32:14,142 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 196700 39340 160.47 8242.1 17588 -9345.4 -9345.4 9.9922 10.025 4.6421 90909 2024-05-08 20:32:53,512 INFO [main.py:798]
{rank 0/64} MD step = 196800 step time: 00:00:00.393866 Performance: 35.935 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:32:59,331 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 196800 39360 157.54 7900.7 17267 -9366.3 -9366.3 9.9968 10.029 4.6442 90960 2024-05-08 20:33:37,760 INFO [main.py:798]
{rank 0/64} MD step = 196900 step time: 00:00:00.371456 Performance: 35.937 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:33:45,804 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 196900 39380 161.63 8529.7 17715 -9185.1 -9185.1 10.002 10.033 4.6475 91030 2024-05-08 20:34:23,380 INFO [main.py:798]
{rank 0/64} MD step = 197000 step time: 00:00:00.360952 Performance: 35.938 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:34:31,857 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197000 39400 158.06 8083.2 17324 -9240.8 -9240.8 10.007 10.038 4.6486 91053 2024-05-08 20:35:09,004 INFO [main.py:798]
{rank 0/64} MD step = 197100 step time: 00:00:00.375705 Performance: 35.939 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:35:15,175 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197100 39420 161.13 8537.6 17660 -9122.6 -9122.6 10.011 10.04 4.6502 91136 2024-05-08 20:35:54,255 INFO [main.py:798]
{rank 0/64} MD step = 197200 step time: 00:00:00.371220 Performance: 35.940 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:36:00,853 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197200 39440 159.22 8249.5 17451 -9201.6 -9201.6 10.014 10.047 4.6521 91178 2024-05-08 20:36:41,353 INFO [main.py:798]
{rank 0/64} MD step = 197300 step time: 00:00:00.378292 Performance: 35.940 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:36:47,711 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197300 39460 159.24 8183.4 17453 -9269.7 -9269.7 10.019 10.052 4.6542 91215 2024-05-08 20:37:26,898 INFO [main.py:798]
{rank 0/64} MD step = 197400 step time: 00:00:00.343076 Performance: 35.941 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:37:33,305 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197400 39480 158.38 8227 17359 -9131.9 -9131.9 10.023 10.057 4.6555 91253 2024-05-08 20:38:12,960 INFO [main.py:798]
{rank 0/64} MD step = 197500 step time: 00:00:00.351674 Performance: 35.942 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:38:19,882 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197500 39500 160.57 8418.7 17599 -9180.1 -9180.1 10.029 10.061 4.6575 91292 2024-05-08 20:38:58,590 INFO [main.py:798]
{rank 0/64} MD step = 197600 step time: 00:00:00.349110 Performance: 35.943 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:39:06,998 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197600 39520 161.7 8603.3 17722 -9119 -9119 10.034 10.067 4.6605 91325 2024-05-08 20:39:45,916 INFO [main.py:798]
{rank 0/64} MD step = 197700 step time: 00:00:00.396904 Performance: 35.943 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:39:52,189 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197700 39540 159.09 8300 17437 -9136.6 -9136.6 10.04 10.073 4.6627 91372 2024-05-08 20:40:30,837 INFO [main.py:798]
{rank 0/64} MD step = 197800 step time: 00:00:00.346573 Performance: 35.944 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:40:40,234 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197800 39560 159.67 8238.9 17500 -9261.2 -9261.2 10.045 10.079 4.6648 91398 2024-05-08 20:41:20,754 INFO [main.py:798]
{rank 0/64} MD step = 197900 step time: 00:00:00.368167 Performance: 35.944 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:41:28,007 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 197900 39580 160.74 8493.7 17617 -9123.5 -9123.5 10.049 10.085 4.668 91453 2024-05-08 20:42:05,766 INFO [main.py:798]
{rank 0/64} MD step = 198000 step time: 00:00:00.357061 Performance: 35.945 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:42:13,179 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 198000 39600 158.16 7999.5 17334 -9335 -9335 10.054 10.093 4.6686 91493 2024-05-08 20:42:52,201 INFO [main.py:798]
{rank 0/64} MD step = 198100 step time: 00:00:00.346538 Performance: 35.945 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:42:58,502 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 198100 39620 160.79 8391.8 17623 -9231.1 -9231.1 10.06 10.097 4.6703 91550 2024-05-08 20:43:37,680 INFO [main.py:798]
{rank 0/64} MD step = 198200 step time: 00:00:00.351188 Performance: 35.946 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:43:47,670 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 198200 39640 159.54 8366.3 17486 -9119.5 -9119.5 10.065 10.102 4.6738 91624 2024-05-08 20:44:27,210 INFO [main.py:798]
{rank 0/64} MD step = 198300 step time: 00:00:00.357099 Performance: 35.946 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:44:31,914 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 198300 39660 159.58 8368.7 17490 -9121.7 -9121.7 10.068 10.108 4.6756 91677 2024-05-08 20:45:12,003 INFO [main.py:798]
{rank 0/64} MD step = 198400 step time: 00:00:00.350251 Performance: 35.947 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:45:23,477 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 198400 39680 159.85 8295.6 17520 -9224 -9224 10.074 10.112 4.6778 91705 2024-05-08 20:46:02,070 INFO [main.py:798]
{rank 0/64} MD step = 198500 step time: 00:00:00.345817 Performance: 35.946 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:46:09,224 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 198500 39700 159.35 8322.3 17465 -9142.3 -9142.3 10.078 10.119 4.6825 91770 2024-05-08 20:46:48,814 INFO [main.py:798]
{rank 0/64} MD step = 198600 step time: 00:00:00.339183 Performance: 35.947 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:46:56,990 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 198600 39720 162.25 8591.5 17783 -9191.4 -9191.4 10.084 10.124 4.6857 91793 2024-05-08 20:47:36,923 INFO [main.py:798]
{rank 0/64} MD step = 198700 step time: 00:00:00.385821 Performance: 35.947 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:47:43,456 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 198700 39740 162.39 8487.4 17798 -9311 -9311 10.089 10.128 4.6872 91829 2024-05-08 20:48:22,681 INFO [main.py:798]
{rank 0/64} MD step = 198800 step time: 00:00:00.367216 Performance: 35.948 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:48:29,878 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 198800 39760 159.1 8263.1 17438 -9174.8 -9174.8 10.093 10.135 4.6876 91870 2024-05-08 20:49:08,925 INFO [main.py:798]
{rank 0/64} MD step = 198900 step time: 00:00:00.393739 Performance: 35.948 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:49:16,769 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 198900 39780 161.18 8478.6 17665 -9186.8 -9186.8 10.098 10.14 4.689 91895 2024-05-08 20:49:54,536 INFO [main.py:798]
{rank 0/64} MD step = 199000 step time: 00:00:00.376034 Performance: 35.949 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:50:00,255 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199000 39800 160.72 8454.1 17616 -9161.6 -9161.6 10.102 10.146 4.6918 91972 2024-05-08 20:50:39,423 INFO [main.py:798]
{rank 0/64} MD step = 199100 step time: 00:00:00.395291 Performance: 35.950 ns/day 0.668 hours/ns 2.080 steps/s 2024-05-08 20:50:46,219 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199100 39820 160.99 8367.9 17645 -9276.8 -9276.8 10.107 10.15 4.693 92038 2024-05-08 20:51:25,027 INFO [main.py:798]
{rank 0/64} MD step = 199200 step time: 00:00:00.355467 Performance: 35.951 ns/day 0.668 hours/ns 2.081 steps/s 2024-05-08 20:51:31,484 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199200 39840 161.62 8476.2 17714 -9237.3 -9237.3 10.113 10.156 4.6953 92104 2024-05-08 20:52:10,769 INFO [main.py:798]
{rank 0/64} MD step = 199300 step time: 00:00:00.389356 Performance: 35.952 ns/day 0.668 hours/ns 2.081 steps/s 2024-05-08 20:52:16,962 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199300 39860 163.09 8686 17875 -9188.8 -9188.8 10.119 10.162 4.6977 92185 2024-05-08 20:52:56,804 INFO [main.py:798]
{rank 0/64} MD step = 199400 step time: 00:00:00.448167 Performance: 35.953 ns/day 0.668 hours/ns 2.081 steps/s 2024-05-08 20:53:04,422 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199400 39880 158.65 8255.6 17388 -9132.3 -9132.3 10.123 10.168 4.6995 92222 2024-05-08 20:53:42,890 INFO [main.py:798]
{rank 0/64} MD step = 199500 step time: 00:00:00.431241 Performance: 35.954 ns/day 0.668 hours/ns 2.081 steps/s 2024-05-08 20:53:48,533 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199500 39900 158.28 8182.6 17348 -9165 -9165 10.129 10.175 4.702 92276 2024-05-08 20:54:29,216 INFO [main.py:798]
{rank 0/64} MD step = 199600 step time: 00:00:00.406031 Performance: 35.954 ns/day 0.668 hours/ns 2.081 steps/s 2024-05-08 20:54:37,218 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199600 39920 158.14 8052 17333 -9280.7 -9280.7 10.134 10.179 4.7025 92332 2024-05-08 20:55:19,642 INFO [main.py:798]
{rank 0/64} MD step = 199700 step time: 00:00:00.409958 Performance: 35.954 ns/day 0.668 hours/ns 2.081 steps/s 2024-05-08 20:55:28,870 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199700 39940 160.87 8478 17631 -9153.5 -9153.5 10.141 10.185 4.7068 92373 2024-05-08 20:56:08,359 INFO [main.py:798]
{rank 0/64} MD step = 199800 step time: 00:00:00.416289 Performance: 35.953 ns/day 0.668 hours/ns 2.081 steps/s 2024-05-08 20:56:14,888 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199800 39960 161.25 8427.6 17674 -9246.1 -9246.1 10.147 10.191 4.7069 92390 2024-05-08 20:56:53,902 INFO [main.py:798]
{rank 0/64} MD step = 199900 step time: 00:00:00.417043 Performance: 35.954 ns/day 0.668 hours/ns 2.081 steps/s 2024-05-08 20:56:59,634 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 199900 39980 158.01 8008 17318 -9310.2 -9310.2 10.153 10.194 4.71 92431 2024-05-08 20:57:38,071 INFO [main.py:798]
{rank 0/64} MD step = 200000 step time: 00:00:00.411027 Performance: 35.956 ns/day 0.667 hours/ns 2.081 steps/s 2024-05-08 20:57:43,762 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200000 40000 162.64 8579 17825 -9246 -9246 10.158 10.201 4.7134 92441 2024-05-08 20:58:21,556 INFO [main.py:798]
{rank 0/64} MD step = 200100 step time: 00:00:00.371827 Performance: 35.957 ns/day 0.667 hours/ns 2.081 steps/s 2024-05-08 20:58:27,550 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200100 40020 157.28 7953.2 17238 -9285.1 -9285.1 10.163 10.205 4.715 92501 2024-05-08 20:59:06,111 INFO [main.py:798]
{rank 0/64} MD step = 200200 step time: 00:00:00.405332 Performance: 35.959 ns/day 0.667 hours/ns 2.081 steps/s 2024-05-08 20:59:13,350 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200200 40040 161.16 8505.5 17663 -9157.6 -9157.6 10.167 10.209 4.7166 92568 2024-05-08 20:59:52,826 INFO [main.py:798]
{rank 0/64} MD step = 200300 step time: 00:00:00.374333 Performance: 35.959 ns/day 0.667 hours/ns 2.081 steps/s 2024-05-08 21:00:00,415 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200300 40060 162.65 8699 17826 -9127.2 -9127.2 10.173 10.213 4.7206 92605 2024-05-08 21:00:39,836 INFO [main.py:798]
{rank 0/64} MD step = 200400 step time: 00:00:00.380050 Performance: 35.960 ns/day 0.667 hours/ns 2.081 steps/s 2024-05-08 21:00:47,261 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200400 40080 158.44 8222.3 17365 -9142.5 -9142.5 10.178 10.217 4.722 92680 2024-05-08 21:01:26,381 INFO [main.py:798]
{rank 0/64} MD step = 200500 step time: 00:00:00.401597 Performance: 35.960 ns/day 0.667 hours/ns 2.081 steps/s 2024-05-08 21:01:32,745 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200500 40100 159.15 8421.8 17443 -9021 -9021 10.185 10.223 4.7229 92713 2024-05-08 21:02:12,146 INFO [main.py:798]
{rank 0/64} MD step = 200600 step time: 00:00:00.378963 Performance: 35.961 ns/day 0.667 hours/ns 2.081 steps/s 2024-05-08 21:02:19,461 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200600 40120 160.87 8431.8 17632 -9199.8 -9199.8 10.19 10.228 4.7255 92755 2024-05-08 21:02:58,560 INFO [main.py:798]
{rank 0/64} MD step = 200700 step time: 00:00:00.420865 Performance: 35.962 ns/day 0.667 hours/ns 2.081 steps/s 2024-05-08 21:03:05,227 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200700 40140 162.12 8496 17769 -9272.7 -9272.7 10.192 10.233 4.7275 92748 2024-05-08 21:03:46,030 INFO [main.py:798]
{rank 0/64} MD step = 200800 step time: 00:00:00.374401 Performance: 35.962 ns/day 0.667 hours/ns 2.081 steps/s 2024-05-08 21:03:55,387 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200800 40160 159.19 8299.1 17448 -9148.6 -9148.6 10.2 10.238 4.7294 92783 2024-05-08 21:04:33,643 INFO [main.py:798]
{rank 0/64} MD step = 200900 step time: 00:00:00.388209 Performance: 35.962 ns/day 0.667 hours/ns 2.081 steps/s 2024-05-08 21:04:39,305 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 200900 40180 162.18 8495.9 17775 -9279.5 -9279.5 10.205 10.242 4.7305 92825 2024-05-08 21:05:20,801 INFO [main.py:798]
{rank 0/64} MD step = 201000 step time: 00:00:00.368368 Performance: 35.962 ns/day 0.667 hours/ns 2.081 steps/s 2024-05-08 21:05:28,246 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 201000 40200 160.31 8538.8 17570 -9031 -9031 10.212 10.244 4.7329 92897 2024-05-08 21:06:08,892 INFO [main.py:798]
{rank 0/64} MD step = 201100 step time: 00:00:00.397744 Performance: 35.962 ns/day 0.667 hours/ns 2.081 steps/s 2024-05-08 21:06:15,026 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 201100 40220 158.13 8178.7 17332 -9153 -9153 10.218 10.248 4.7377 92943 2024-05-08 21:06:54,476 INFO [main.py:798]
{rank 0/64} MD step = 201200 step time: 00:00:00.359513 Performance: 35.963 ns/day 0.667 hours/ns 2.081 steps/s 2024-05-08 21:07:00,808 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 201200 40240 159.64 8340.3 17497 -9156.3 -9156.3 10.224 10.253 4.7408 92944 2024-05-08 21:07:42,561 INFO [main.py:798]
{rank 0/64} MD step = 201300 step time: 00:00:00.423530 Performance: 35.963 ns/day 0.667 hours/ns 2.081 steps/s 2024-05-08 21:07:48,520 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 201300 40260 160.99 8313.1 17644 -9331.3 -9331.3 10.228 10.258 4.7431 92973 2024-05-08 21:08:28,101 INFO [main.py:798]
{rank 0/64} MD step = 201400 step time: 00:00:00.393376 Performance: 35.964 ns/day 0.667 hours/ns 2.081 steps/s 2024-05-08 21:08:34,370 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 201400 40280 158.78 8127.2 17402 -9275.3 -9275.3 10.235 10.264 4.7435 93056 2024-05-08 21:09:11,594 INFO [main.py:798]
{rank 0/64} MD step = 201500 step time: 00:00:00.357543 Performance: 35.966 ns/day 0.667 hours/ns 2.081 steps/s 2024-05-08 21:09:22,844 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 201500 40300 158.42 8159.7 17363 -9203.7 -9203.7 10.241 10.268 4.7437 93121 2024-05-08 21:10:01,563 INFO [main.py:798]
{rank 0/64} MD step = 201600 step time: 00:00:00.366765 Performance: 35.965 ns/day 0.667 hours/ns 2.081 steps/s 2024-05-08 21:10:10,193 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 201600 40320 160.43 8386.2 17583 -9196.7 -9196.7 10.246 10.275 4.7474 93154 2024-05-08 21:10:49,622 INFO [main.py:798]
{rank 0/64} MD step = 201700 step time: 00:00:00.374641 Performance: 35.965 ns/day 0.667 hours/ns 2.081 steps/s 2024-05-08 21:10:56,201 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 201700 40340 158.24 8261.1 17343 -9081.6 -9081.6 10.251 10.28 4.7498 93204 2024-05-08 21:11:34,489 INFO [main.py:798]
{rank 0/64} MD step = 201800 step time: 00:00:00.397778 Performance: 35.966 ns/day 0.667 hours/ns 2.081 steps/s 2024-05-08 21:11:40,476 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 201800 40360 158.78 8253 17402 -9149 -9149 10.258 10.284 4.7535 93212 2024-05-08 21:12:19,531 INFO [main.py:798]
{rank 0/64} MD step = 201900 step time: 00:00:00.406415 Performance: 35.967 ns/day 0.667 hours/ns 2.081 steps/s 2024-05-08 21:12:26,563 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 201900 40380 161.13 8425.9 17660 -9234.5 -9234.5 10.262 10.291 4.7545 93271 2024-05-08 21:13:05,043 INFO [main.py:798]
{rank 0/64} MD step = 202000 step time: 00:00:00.373581 Performance: 35.968 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-08 21:13:13,231 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 202000 40400 161.78 8399.6 17731 -9331.4 -9331.4 10.267 10.298 4.755 93282 2024-05-08 21:13:51,122 INFO [main.py:798]
{rank 0/64} MD step = 202100 step time: 00:00:00.397517 Performance: 35.969 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-08 21:13:57,732 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 202100 40420 158.49 8128.2 17371 -9242.9 -9242.9 10.272 10.302 4.7584 93337 2024-05-08 21:14:37,431 INFO [main.py:798]
{rank 0/64} MD step = 202200 step time: 00:00:00.431642 Performance: 35.970 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-08 21:14:42,466 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 202200 40440 158.43 8266.1 17364 -9098.2 -9098.2 10.275 10.304 4.7618 93405 2024-05-08 21:15:24,037 INFO [main.py:798]
{rank 0/64} MD step = 202300 step time: 00:00:00.395559 Performance: 35.970 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-08 21:15:31,938 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 202300 40460 159.65 8239.3 17498 -9258.6 -9258.6 10.281 10.31 4.7639 93401 2024-05-08 21:16:11,136 INFO [main.py:798]
{rank 0/64} MD step = 202400 step time: 00:00:00.384022 Performance: 35.971 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-08 21:16:16,273 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 202400 40480 158.87 8284.9 17413 -9127.9 -9127.9 10.286 10.316 4.765 93457 2024-05-08 21:16:57,580 INFO [main.py:798]
{rank 0/64} MD step = 202500 step time: 00:00:00.403145 Performance: 35.971 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-08 21:17:04,469 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 202500 40500 158.8 8213.8 17405 -9191.4 -9191.4 10.291 10.32 4.7681 93483 2024-05-08 21:17:43,582 INFO [main.py:798]
{rank 0/64} MD step = 202600 step time: 00:00:00.393602 Performance: 35.972 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-08 21:17:56,682 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 202600 40520 160.17 8324.4 17555 -9230.7 -9230.7 10.296 10.325 4.7694 93543 2024-05-08 21:18:35,705 INFO [main.py:798]
{rank 0/64} MD step = 202700 step time: 00:00:00.392967 Performance: 35.970 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-08 21:18:42,716 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 202700 40540 158.76 8182.7 17400 -9217.1 -9217.1 10.301 10.33 4.7726 93581 2024-05-08 21:19:21,911 INFO [main.py:798]
{rank 0/64} MD step = 202800 step time: 00:00:00.395505 Performance: 35.971 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-08 21:19:28,926 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 202800 40560 159.47 8267.6 17478 -9210.4 -9210.4 10.306 10.335 4.7751 93627 2024-05-08 21:20:07,442 INFO [main.py:798]
{rank 0/64} MD step = 202900 step time: 00:00:00.389307 Performance: 35.972 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-08 21:20:13,417 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 202900 40580 162.43 8585.3 17803 -9217.6 -9217.6 10.313 10.339 4.7775 93654 2024-05-08 21:20:54,484 INFO [main.py:798]
{rank 0/64} MD step = 203000 step time: 00:00:00.412100 Performance: 35.972 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-08 21:20:59,646 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 203000 40600 159.02 8141 17429 -9288.3 -9288.3 10.318 10.345 4.7794 93680 2024-05-08 21:21:38,001 INFO [main.py:798]
{rank 0/64} MD step = 203100 step time: 00:00:00.380661 Performance: 35.974 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-08 21:21:43,825 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 203100 40620 160.64 8333.9 17606 -9272.5 -9272.5 10.321 10.349 4.7822 93714 2024-05-08 21:22:22,942 INFO [main.py:798]
{rank 0/64} MD step = 203200 step time: 00:00:00.374501 Performance: 35.975 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-08 21:22:29,063 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 203200 40640 158.83 8292 17408 -9116 -9116 10.326 10.354 4.7868 93797 2024-05-08 21:23:08,218 INFO [main.py:798]
{rank 0/64} MD step = 203300 step time: 00:00:00.374475 Performance: 35.976 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-08 21:23:14,556 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 203300 40660 158.07 8108.6 17324 -9215.9 -9215.9 10.332 10.36 4.7877 93789 2024-05-08 21:23:52,634 INFO [main.py:798]
{rank 0/64} MD step = 203400 step time: 00:00:00.385860 Performance: 35.978 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-08 21:23:58,171 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 203400 40680 158.63 8246.2 17386 -9139.3 -9139.3 10.34 10.364 4.7921 93850 2024-05-08 21:24:37,616 INFO [main.py:798]
{rank 0/64} MD step = 203500 step time: 00:00:00.376181 Performance: 35.979 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-08 21:24:42,762 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 203500 40700 162.08 8607.7 17764 -9156.7 -9156.7 10.346 10.37 4.7931 93926 2024-05-08 21:25:23,339 INFO [main.py:798]
{rank 0/64} MD step = 203600 step time: 00:00:00.386353 Performance: 35.980 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-08 21:25:29,413 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 203600 40720 159.07 8358.5 17434 -9075.7 -9075.7 10.351 10.376 4.7949 93993 2024-05-08 21:26:09,065 INFO [main.py:798]
{rank 0/64} MD step = 203700 step time: 00:00:00.395018 Performance: 35.980 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-08 21:26:14,871 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 203700 40740 160.93 8388.3 17638 -9249.3 -9249.3 10.357 10.38 4.7968 93994 2024-05-08 21:26:52,495 INFO [main.py:798]
{rank 0/64} MD step = 203800 step time: 00:00:00.381544 Performance: 35.982 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-08 21:27:01,469 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 203800 40760 160.3 8328.5 17569 -9240.4 -9240.4 10.363 10.386 4.8004 94054 2024-05-08 21:27:40,485 INFO [main.py:798]
{rank 0/64} MD step = 203900 step time: 00:00:00.389514 Performance: 35.982 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-08 21:27:46,485 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 203900 40780 161.66 8452.1 17719 -9266.5 -9266.5 10.367 10.391 4.802 94099 2024-05-08 21:28:25,090 INFO [main.py:798]
{rank 0/64} MD step = 204000 step time: 00:00:00.387229 Performance: 35.983 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-08 21:28:33,036 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204000 40800 159.28 8270.6 17457 -9186.7 -9186.7 10.372 10.396 4.8057 94140 2024-05-08 21:29:10,472 INFO [main.py:798]
{rank 0/64} MD step = 204100 step time: 00:00:00.378048 Performance: 35.984 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-08 21:29:19,023 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204100 40820 159.98 8382.6 17534 -9151.3 -9151.3 10.377 10.403 4.8091 94188 2024-05-08 21:29:58,069 INFO [main.py:798]
{rank 0/64} MD step = 204200 step time: 00:00:00.388220 Performance: 35.984 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-08 21:30:03,368 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204200 40840 159.2 8265.8 17449 -9183.2 -9183.2 10.382 10.408 4.8115 94263 2024-05-08 21:30:44,093 INFO [main.py:798]
{rank 0/64} MD step = 204300 step time: 00:00:00.443228 Performance: 35.985 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-08 21:30:53,580 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204300 40860 160.12 8383.9 17550 -9166 -9166 10.386 10.413 4.8122 94272 2024-05-08 21:31:31,960 INFO [main.py:798]
{rank 0/64} MD step = 204400 step time: 00:00:00.372343 Performance: 35.985 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-08 21:31:39,422 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204400 40880 158.3 8165.8 17350 -9184.2 -9184.2 10.391 10.417 4.8139 94331 2024-05-08 21:32:17,959 INFO [main.py:798]
{rank 0/64} MD step = 204500 step time: 00:00:00.379910 Performance: 35.986 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-08 21:32:23,526 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204500 40900 159.89 8273.4 17524 -9250.6 -9250.6 10.396 10.42 4.8167 94378 2024-05-08 21:33:02,541 INFO [main.py:798]
{rank 0/64} MD step = 204600 step time: 00:00:00.363665 Performance: 35.987 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-08 21:33:08,727 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204600 40920 159.56 8305.5 17488 -9182.9 -9182.9 10.4 10.429 4.82 94407 2024-05-08 21:33:47,444 INFO [main.py:798]
{rank 0/64} MD step = 204700 step time: 00:00:00.386298 Performance: 35.988 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-08 21:34:09,669 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204700 40940 160.84 8413.1 17628 -9214.7 -9214.7 10.406 10.432 4.8225 94472 2024-05-08 21:34:50,882 INFO [main.py:798]
{rank 0/64} MD step = 204800 step time: 00:00:00.403446 Performance: 35.983 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-08 21:34:57,981 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204800 40960 160.14 8449.9 17552 -9102.2 -9102.2 10.411 10.435 4.8256 94530 2024-05-08 21:35:38,004 INFO [main.py:798]
{rank 0/64} MD step = 204900 step time: 00:00:00.435128 Performance: 35.983 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-08 21:35:44,338 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 204900 40980 159.04 8324.3 17431 -9107.2 -9107.2 10.416 10.441 4.8303 94579 2024-05-08 21:36:23,015 INFO [main.py:798]
{rank 0/64} MD step = 205000 step time: 00:00:00.406601 Performance: 35.984 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-08 21:36:29,807 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205000 41000 159.35 8137.7 17465 -9326.8 -9326.8 10.419 10.446 4.834 94599 2024-05-08 21:37:08,346 INFO [main.py:798]
{rank 0/64} MD step = 205100 step time: 00:00:00.426156 Performance: 35.985 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-08 21:37:17,177 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205100 41020 159.83 8374.3 17517 -9143.1 -9143.1 10.423 10.452 4.8354 94634 2024-05-08 21:37:55,209 INFO [main.py:798]
{rank 0/64} MD step = 205200 step time: 00:00:00.423024 Performance: 35.986 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-08 21:38:02,832 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205200 41040 159.45 8363.1 17476 -9113.3 -9113.3 10.428 10.458 4.8405 94681 2024-05-08 21:38:41,729 INFO [main.py:798]
{rank 0/64} MD step = 205300 step time: 00:00:00.398429 Performance: 35.986 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-08 21:38:52,426 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205300 41060 158.08 8162.6 17326 -9163.3 -9163.3 10.433 10.461 4.842 94701 2024-05-08 21:39:31,907 INFO [main.py:798]
{rank 0/64} MD step = 205400 step time: 00:00:00.362277 Performance: 35.985 ns/day 0.667 hours/ns 2.082 steps/s 2024-05-08 21:39:39,852 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205400 41080 160.17 8332.6 17555 -9222.5 -9222.5 10.438 10.466 4.8472 94730 2024-05-08 21:40:16,702 INFO [main.py:798]
{rank 0/64} MD step = 205500 step time: 00:00:00.379847 Performance: 35.987 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-08 21:40:22,934 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205500 41100 158.77 8191 17401 -9210 -9210 10.445 10.472 4.8494 94765 2024-05-08 21:41:02,023 INFO [main.py:798]
{rank 0/64} MD step = 205600 step time: 00:00:00.379763 Performance: 35.987 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-08 21:41:08,630 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205600 41120 160.08 8283.6 17545 -9261.3 -9261.3 10.451 10.477 4.8525 94782 2024-05-08 21:41:47,660 INFO [main.py:798]
{rank 0/64} MD step = 205700 step time: 00:00:00.405535 Performance: 35.988 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-08 21:41:55,576 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205700 41140 159.89 8421.8 17524 -9102.7 -9102.7 10.456 10.482 4.8547 94869 2024-05-08 21:42:35,102 INFO [main.py:798]
{rank 0/64} MD step = 205800 step time: 00:00:00.395203 Performance: 35.989 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-08 21:42:42,790 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205800 41160 160.55 8324.7 17597 -9272.2 -9272.2 10.461 10.489 4.8568 94870 2024-05-08 21:43:20,571 INFO [main.py:798]
{rank 0/64} MD step = 205900 step time: 00:00:00.388661 Performance: 35.989 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-08 21:43:27,148 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 205900 41180 159.91 8356.3 17526 -9169.7 -9169.7 10.466 10.494 4.8603 94947 2024-05-08 21:44:05,946 INFO [main.py:798]
{rank 0/64} MD step = 206000 step time: 00:00:00.389521 Performance: 35.990 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-08 21:44:11,880 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 206000 41200 162.41 8720.3 17801 -9080.4 -9080.4 10.471 10.501 4.862 95011 2024-05-08 21:44:52,407 INFO [main.py:798]
{rank 0/64} MD step = 206100 step time: 00:00:00.410459 Performance: 35.991 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-08 21:45:00,268 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 206100 41220 156.91 7905.4 17197 -9291.6 -9291.6 10.477 10.505 4.8648 95037 2024-05-08 21:45:39,199 INFO [main.py:798]
{rank 0/64} MD step = 206200 step time: 00:00:00.416435 Performance: 35.991 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-08 21:45:46,332 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 206200 41240 162.35 8617.3 17794 -9176.8 -9176.8 10.48 10.509 4.8666 95097 2024-05-08 21:46:26,038 INFO [main.py:798]
{rank 0/64} MD step = 206300 step time: 00:00:00.425931 Performance: 35.992 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-08 21:46:30,864 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 206300 41260 160.46 8302.9 17586 -9283.6 -9283.6 10.485 10.513 4.868 95155 2024-05-08 21:47:12,047 INFO [main.py:798]
{rank 0/64} MD step = 206400 step time: 00:00:00.398416 Performance: 35.993 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-08 21:47:18,251 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 206400 41280 159.53 8267.4 17484 -9217 -9217 10.49 10.519 4.871 95194 2024-05-08 21:47:55,883 INFO [main.py:798]
{rank 0/64} MD step = 206500 step time: 00:00:00.393108 Performance: 35.994 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-08 21:48:06,921 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 206500 41300 160.94 8475 17639 -9164.2 -9164.2 10.496 10.524 4.8734 95249 2024-05-08 21:48:45,873 INFO [main.py:798]
{rank 0/64} MD step = 206600 step time: 00:00:00.410594 Performance: 35.993 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-08 21:48:52,512 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 206600 41320 160.63 8335.6 17606 -9270.1 -9270.1 10.501 10.53 4.8777 95277 2024-05-08 21:49:31,597 INFO [main.py:798]
{rank 0/64} MD step = 206700 step time: 00:00:00.384651 Performance: 35.994 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-08 21:49:41,743 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 206700 41340 162.02 8492.2 17757 -9264.9 -9264.9 10.507 10.537 4.8811 95296 2024-05-08 21:50:20,751 INFO [main.py:798]
{rank 0/64} MD step = 206800 step time: 00:00:00.408794 Performance: 35.994 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-08 21:50:27,593 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 206800 41360 160.13 8337.3 17550 -9213.2 -9213.2 10.512 10.543 4.8845 95368 2024-05-08 21:51:07,150 INFO [main.py:798]
{rank 0/64} MD step = 206900 step time: 00:00:00.413332 Performance: 35.994 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-08 21:51:14,103 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 206900 41380 159.31 8211.5 17460 -9248.8 -9248.8 10.518 10.549 4.8861 95397 2024-05-08 21:51:51,545 INFO [main.py:798]
{rank 0/64} MD step = 207000 step time: 00:00:00.416242 Performance: 35.996 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-08 21:51:58,127 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 207000 41400 159.04 8309.5 17431 -9121.4 -9121.4 10.524 10.554 4.889 95457 2024-05-08 21:52:36,694 INFO [main.py:798]
{rank 0/64} MD step = 207100 step time: 00:00:00.419460 Performance: 35.997 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-08 21:52:43,463 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 207100 41420 161.95 8465.1 17750 -9285.3 -9285.3 10.528 10.557 4.89 95482 2024-05-08 21:53:23,013 INFO [main.py:798]
{rank 0/64} MD step = 207200 step time: 00:00:00.431227 Performance: 35.997 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-08 21:53:29,036 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 207200 41440 159.98 8249.4 17534 -9284.5 -9284.5 10.532 10.562 4.892 95550 2024-05-08 21:54:09,323 INFO [main.py:798]
{rank 0/64} MD step = 207300 step time: 00:00:00.422024 Performance: 35.998 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-08 21:54:16,029 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 207300 41460 160.32 8330.3 17571 -9240.4 -9240.4 10.538 10.566 4.8952 95590 2024-05-08 21:54:55,078 INFO [main.py:798]
{rank 0/64} MD step = 207400 step time: 00:00:00.389424 Performance: 35.999 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-08 21:55:01,117 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 207400 41480 161.59 8431.5 17711 -9279.2 -9279.2 10.543 10.569 4.8989 95663 2024-05-08 21:55:41,097 INFO [main.py:798]
{rank 0/64} MD step = 207500 step time: 00:00:00.409280 Performance: 36.000 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-08 21:55:50,706 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 207500 41500 158.07 8049.7 17325 -9275.1 -9275.1 10.55 10.572 4.9018 95712 2024-05-08 21:56:28,653 INFO [main.py:798]
{rank 0/64} MD step = 207600 step time: 00:00:00.413924 Performance: 36.000 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-08 21:56:35,158 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 207600 41520 159.88 8373.5 17523 -9149.5 -9149.5 10.555 10.577 4.9048 95771 2024-05-08 21:57:14,432 INFO [main.py:798]
{rank 0/64} MD step = 207700 step time: 00:00:00.393917 Performance: 36.000 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-08 21:57:21,523 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 207700 41540 158.88 8239.2 17413 -9173.8 -9173.8 10.561 10.582 4.9073 95780 2024-05-08 21:58:01,027 INFO [main.py:798]
{rank 0/64} MD step = 207800 step time: 00:00:00.406045 Performance: 36.001 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-08 21:58:08,951 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 207800 41560 161.01 8437.6 17647 -9209.3 -9209.3 10.565 10.587 4.9102 95810 2024-05-08 21:58:47,675 INFO [main.py:798]
{rank 0/64} MD step = 207900 step time: 00:00:00.392685 Performance: 36.001 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-08 21:58:53,928 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 207900 41580 158.97 8200 17424 -9223.6 -9223.6 10.57 10.593 4.9121 95868 2024-05-08 21:59:33,084 INFO [main.py:798]
{rank 0/64} MD step = 208000 step time: 00:00:00.380455 Performance: 36.002 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-08 21:59:39,137 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 208000 41600 161.35 8534.2 17684 -9150.2 -9150.2 10.574 10.597 4.9126 95897 2024-05-08 22:00:18,115 INFO [main.py:798]
{rank 0/64} MD step = 208100 step time: 00:00:00.351570 Performance: 36.003 ns/day 0.667 hours/ns 2.084 steps/s 2024-05-08 22:00:24,646 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 208100 41620 159.3 8304.2 17459 -9155.2 -9155.2 10.578 10.603 4.9151 95961 2024-05-08 22:01:03,831 INFO [main.py:798]
{rank 0/64} MD step = 208200 step time: 00:00:00.383657 Performance: 36.004 ns/day 0.667 hours/ns 2.084 steps/s 2024-05-08 22:01:22,331 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 208200 41640 161.44 8442.2 17694 -9251.6 -9251.6 10.586 10.608 4.9176 96027 2024-05-08 22:02:00,658 INFO [main.py:798]
{rank 0/64} MD step = 208300 step time: 00:00:00.397603 Performance: 36.001 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-08 22:02:07,155 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 208300 41660 163.14 8724.4 17880 -9155.5 -9155.5 10.593 10.614 4.9223 96070 2024-05-08 22:02:45,996 INFO [main.py:798]
{rank 0/64} MD step = 208400 step time: 00:00:00.380932 Performance: 36.002 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-08 22:02:52,214 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 208400 41680 164.02 8702 17977 -9275 -9275 10.598 10.619 4.9261 96092 2024-05-08 22:03:32,968 INFO [main.py:798]
{rank 0/64} MD step = 208500 step time: 00:00:00.390815 Performance: 36.002 ns/day 0.667 hours/ns 2.083 steps/s 2024-05-08 22:03:39,280 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 208500 41700 158.15 8095.1 17334 -9238.8 -9238.8 10.603 10.625 4.9315 96116 2024-05-08 22:04:18,597 INFO [main.py:798]
{rank 0/64} MD step = 208600 step time: 00:00:00.377805 Performance: 36.003 ns/day 0.667 hours/ns 2.084 steps/s 2024-05-08 22:04:24,683 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 208600 41720 160.57 8567.5 17598 -9031 -9031 10.607 10.63 4.934 96159 2024-05-08 22:05:03,270 INFO [main.py:798]
{rank 0/64} MD step = 208700 step time: 00:00:00.399400 Performance: 36.004 ns/day 0.667 hours/ns 2.084 steps/s 2024-05-08 22:05:09,750 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 208700 41740 159.9 8338.3 17525 -9186.9 -9186.9 10.612 10.634 4.9361 96201 2024-05-08 22:05:48,798 INFO [main.py:798]
{rank 0/64} MD step = 208800 step time: 00:00:00.396065 Performance: 36.005 ns/day 0.667 hours/ns 2.084 steps/s 2024-05-08 22:05:54,993 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 208800 41760 159.77 8335.6 17511 -9175.6 -9175.6 10.619 10.639 4.937 96248 2024-05-08 22:06:33,076 INFO [main.py:798]
{rank 0/64} MD step = 208900 step time: 00:00:00.375426 Performance: 36.007 ns/day 0.667 hours/ns 2.084 steps/s 2024-05-08 22:06:39,041 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 208900 41780 160.4 8441.5 17580 -9138 -9138 10.622 10.645 4.9397 96280 2024-05-08 22:07:19,039 INFO [main.py:798]
{rank 0/64} MD step = 209000 step time: 00:00:00.400473 Performance: 36.007 ns/day 0.667 hours/ns 2.084 steps/s 2024-05-08 22:07:25,331 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209000 41800 159.24 8244.3 17453 -9209.1 -9209.1 10.629 10.65 4.9421 96317 2024-05-08 22:08:02,897 INFO [main.py:798]
{rank 0/64} MD step = 209100 step time: 00:00:00.374428 Performance: 36.009 ns/day 0.667 hours/ns 2.084 steps/s 2024-05-08 22:08:08,951 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209100 41820 158.91 8252.2 17417 -9164.5 -9164.5 10.635 10.657 4.9446 96365 2024-05-08 22:08:46,306 INFO [main.py:798]
{rank 0/64} MD step = 209200 step time: 00:00:00.355997 Performance: 36.011 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-08 22:08:56,739 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209200 41840 160.04 8187.7 17540 -9352.6 -9352.6 10.64 10.661 4.9476 96352 2024-05-08 22:09:34,784 INFO [main.py:798]
{rank 0/64} MD step = 209300 step time: 00:00:00.380722 Performance: 36.010 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-08 22:09:46,766 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209300 41860 158.82 8142.9 17407 -9263.7 -9263.7 10.648 10.664 4.9496 96412 2024-05-08 22:10:25,837 INFO [main.py:798]
{rank 0/64} MD step = 209400 step time: 00:00:00.399862 Performance: 36.009 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-08 22:10:34,981 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209400 41880 162.2 8667.7 17778 -9110 -9110 10.653 10.669 4.9506 96440 2024-05-08 22:11:11,653 INFO [main.py:798]
{rank 0/64} MD step = 209500 step time: 00:00:00.373108 Performance: 36.010 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-08 22:11:17,850 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209500 41900 160.95 8346 17640 -9294.4 -9294.4 10.659 10.675 4.954 96482 2024-05-08 22:11:57,853 INFO [main.py:798]
{rank 0/64} MD step = 209600 step time: 00:00:00.401069 Performance: 36.011 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-08 22:12:05,823 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209600 41920 161.68 8544.4 17720 -9175.6 -9175.6 10.662 10.68 4.9554 96513 2024-05-08 22:12:44,278 INFO [main.py:798]
{rank 0/64} MD step = 209700 step time: 00:00:00.382732 Performance: 36.011 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-08 22:12:48,997 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209700 41940 160.48 8421.2 17589 -9168 -9168 10.666 10.684 4.9588 96538 2024-05-08 22:13:29,095 INFO [main.py:798]
{rank 0/64} MD step = 209800 step time: 00:00:00.399316 Performance: 36.012 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-08 22:13:35,182 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209800 41960 158.9 8139.1 17416 -9276.5 -9276.5 10.67 10.689 4.9613 96595 2024-05-08 22:14:14,404 INFO [main.py:798]
{rank 0/64} MD step = 209900 step time: 00:00:00.392365 Performance: 36.013 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-08 22:14:23,245 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 209900 41980 159.81 8362.2 17516 -9153.6 -9153.6 10.675 10.694 4.9636 96648 2024-05-08 22:15:01,187 INFO [main.py:798]
{rank 0/64} MD step = 210000 step time: 00:00:00.385783 Performance: 36.014 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-08 22:15:08,363 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210000 42000 157.11 8041.8 17219 -9177.5 -9177.5 10.68 10.697 4.9668 96671 2024-05-08 22:15:47,519 INFO [main.py:798]
{rank 0/64} MD step = 210100 step time: 00:00:00.376681 Performance: 36.014 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-08 22:15:59,785 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210100 42020 161.22 8524.8 17670 -9144.9 -9144.9 10.687 10.703 4.97 96730 2024-05-08 22:16:39,560 INFO [main.py:798]
{rank 0/64} MD step = 210200 step time: 00:00:00.383813 Performance: 36.013 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-08 22:16:48,291 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210200 42040 158.09 8020.8 17327 -9306.1 -9306.1 10.693 10.709 4.973 96754 2024-05-08 22:17:27,107 INFO [main.py:798]
{rank 0/64} MD step = 210300 step time: 00:00:00.404375 Performance: 36.013 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-08 22:17:34,101 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210300 42060 158.14 8263.5 17333 -9069.2 -9069.2 10.698 10.714 4.976 96835 2024-05-08 22:18:13,991 INFO [main.py:798]
{rank 0/64} MD step = 210400 step time: 00:00:00.385611 Performance: 36.013 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-08 22:18:21,416 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210400 42080 159.27 8292 17456 -9164.2 -9164.2 10.704 10.721 4.9815 96848 2024-05-08 22:18:59,849 INFO [main.py:798]
{rank 0/64} MD step = 210500 step time: 00:00:00.376565 Performance: 36.014 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-08 22:19:05,798 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210500 42100 161.01 8331.7 17647 -9315.2 -9315.2 10.71 10.726 4.9837 96898 2024-05-08 22:19:43,817 INFO [main.py:798]
{rank 0/64} MD step = 210600 step time: 00:00:00.398643 Performance: 36.016 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-08 22:19:52,857 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210600 42120 160.52 8383.2 17593 -9209.6 -9209.6 10.716 10.732 4.9871 96951 2024-05-08 22:20:31,570 INFO [main.py:798]
{rank 0/64} MD step = 210700 step time: 00:00:00.384460 Performance: 36.016 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-08 22:20:39,788 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210700 42140 162.53 8626.1 17813 -9187.4 -9187.4 10.719 10.737 4.9912 96993 2024-05-08 22:21:19,276 INFO [main.py:798]
{rank 0/64} MD step = 210800 step time: 00:00:00.399071 Performance: 36.016 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-08 22:21:26,842 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210800 42160 160.91 8451.9 17636 -9184.5 -9184.5 10.727 10.742 4.9935 97021 2024-05-08 22:22:06,167 INFO [main.py:798]
{rank 0/64} MD step = 210900 step time: 00:00:00.394747 Performance: 36.016 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-08 22:22:13,359 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 210900 42180 160.06 8476 17543 -9067.2 -9067.2 10.731 10.745 4.995 97060 2024-05-08 22:22:51,526 INFO [main.py:798]
{rank 0/64} MD step = 211000 step time: 00:00:00.387812 Performance: 36.017 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-08 22:22:59,296 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211000 42200 161.49 8539 17700 -9160.6 -9160.6 10.736 10.75 4.9981 97095 2024-05-08 22:23:37,100 INFO [main.py:798]
{rank 0/64} MD step = 211100 step time: 00:00:00.345437 Performance: 36.018 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-08 22:23:42,475 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211100 42220 160.46 8319 17587 -9267.7 -9267.7 10.74 10.755 5.0001 97109 2024-05-08 22:24:21,509 INFO [main.py:798]
{rank 0/64} MD step = 211200 step time: 00:00:00.357431 Performance: 36.019 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-08 22:24:27,169 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211200 42240 161.92 8516.7 17747 -9230.1 -9230.1 10.745 10.76 5.0021 97169 2024-05-08 22:25:06,478 INFO [main.py:798]
{rank 0/64} MD step = 211300 step time: 00:00:00.372679 Performance: 36.020 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 22:25:12,664 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211300 42260 162.01 8513.5 17756 -9242.5 -9242.5 10.752 10.766 5.0045 97188 2024-05-08 22:25:53,874 INFO [main.py:798]
{rank 0/64} MD step = 211400 step time: 00:00:00.410323 Performance: 36.021 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 22:26:01,039 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211400 42280 158.47 8227.9 17368 -9140.4 -9140.4 10.758 10.771 5.0085 97262 2024-05-08 22:26:38,961 INFO [main.py:798]
{rank 0/64} MD step = 211500 step time: 00:00:00.362625 Performance: 36.022 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 22:26:47,296 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211500 42300 159.16 8308.6 17444 -9135.8 -9135.8 10.761 10.776 5.012 97304 2024-05-08 22:27:26,151 INFO [main.py:798]
{rank 0/64} MD step = 211600 step time: 00:00:00.355225 Performance: 36.022 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 22:27:55,152 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211600 42320 157.11 8059.3 17220 -9160.3 -9160.3 10.766 10.782 5.0159 97376 2024-05-08 22:28:33,779 INFO [main.py:798]
{rank 0/64} MD step = 211700 step time: 00:00:00.382209 Performance: 36.015 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-08 22:28:40,318 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211700 42340 159.75 8354.8 17508 -9153.5 -9153.5 10.769 10.786 5.0188 97449 2024-05-08 22:29:19,480 INFO [main.py:798]
{rank 0/64} MD step = 211800 step time: 00:00:00.400850 Performance: 36.016 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-08 22:29:26,822 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211800 42360 160.48 8361.3 17589 -9227.6 -9227.6 10.773 10.792 5.0217 97465 2024-05-08 22:30:06,153 INFO [main.py:798]
{rank 0/64} MD step = 211900 step time: 00:00:00.386574 Performance: 36.016 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-08 22:30:13,619 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 211900 42380 159.73 8196.6 17507 -9310.4 -9310.4 10.777 10.797 5.0271 97474 2024-05-08 22:30:54,424 INFO [main.py:798]
{rank 0/64} MD step = 212000 step time: 00:00:00.387847 Performance: 36.016 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-08 22:30:58,933 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212000 42400 159.43 8336.1 17474 -9138.1 -9138.1 10.782 10.804 5.03 97560 2024-05-08 22:31:40,058 INFO [main.py:798]
{rank 0/64} MD step = 212100 step time: 00:00:00.375631 Performance: 36.017 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-08 22:31:47,912 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212100 42420 159.46 8248.8 17477 -9228.2 -9228.2 10.784 10.81 5.0329 97578 2024-05-08 22:32:26,131 INFO [main.py:798]
{rank 0/64} MD step = 212200 step time: 00:00:00.383694 Performance: 36.018 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-08 22:32:33,118 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212200 42440 158.68 8164.3 17391 -9226.8 -9226.8 10.788 10.814 5.0338 97607 2024-05-08 22:33:11,559 INFO [main.py:798]
{rank 0/64} MD step = 212300 step time: 00:00:00.402586 Performance: 36.018 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-08 22:33:17,862 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212300 42460 160.71 8432.1 17614 -9182.3 -9182.3 10.791 10.82 5.0354 97668 2024-05-08 22:33:56,155 INFO [main.py:798]
{rank 0/64} MD step = 212400 step time: 00:00:00.402818 Performance: 36.020 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-08 22:34:03,773 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212400 42480 160.74 8538.3 17617 -9078.8 -9078.8 10.796 10.825 5.0382 97718 2024-05-08 22:34:42,526 INFO [main.py:798]
{rank 0/64} MD step = 212500 step time: 00:00:00.416107 Performance: 36.020 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 22:34:52,199 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212500 42500 161.4 8496.3 17690 -9193.7 -9193.7 10.8 10.83 5.0411 97745 2024-05-08 22:35:31,227 INFO [main.py:798]
{rank 0/64} MD step = 212600 step time: 00:00:00.416408 Performance: 36.020 ns/day 0.666 hours/ns 2.084 steps/s 2024-05-08 22:35:37,775 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212600 42520 158.82 8149.7 17406 -9256.6 -9256.6 10.805 10.834 5.0446 97802 2024-05-08 22:36:17,741 INFO [main.py:798]
{rank 0/64} MD step = 212700 step time: 00:00:00.391057 Performance: 36.020 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 22:36:24,265 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212700 42540 160.43 8409.9 17583 -9173.5 -9173.5 10.809 10.84 5.046 97834 2024-05-08 22:37:02,586 INFO [main.py:798]
{rank 0/64} MD step = 212800 step time: 00:00:00.400739 Performance: 36.022 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 22:37:09,203 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212800 42560 159.15 8322.6 17444 -9120.9 -9120.9 10.814 10.847 5.0489 97886 2024-05-08 22:37:47,728 INFO [main.py:798]
{rank 0/64} MD step = 212900 step time: 00:00:00.383371 Performance: 36.023 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 22:37:53,756 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 212900 42580 161.52 8578.2 17702 -9124 -9124 10.819 10.852 5.0508 97955 2024-05-08 22:38:32,619 INFO [main.py:798]
{rank 0/64} MD step = 213000 step time: 00:00:00.395677 Performance: 36.024 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 22:38:39,885 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 213000 42600 160.31 8276.5 17570 -9293.3 -9293.3 10.823 10.857 5.0522 97976 2024-05-08 22:39:18,493 INFO [main.py:798]
{rank 0/64} MD step = 213100 step time: 00:00:00.403229 Performance: 36.024 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 22:39:26,549 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 213100 42620 160.25 8341.2 17563 -9222 -9222 10.826 10.863 5.0571 98025 2024-05-08 22:40:05,489 INFO [main.py:798]
{rank 0/64} MD step = 213200 step time: 00:00:00.379567 Performance: 36.025 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 22:40:11,387 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 213200 42640 157.59 8103.9 17272 -9168.3 -9168.3 10.831 10.868 5.0598 98061 2024-05-08 22:40:50,593 INFO [main.py:798]
{rank 0/64} MD step = 213300 step time: 00:00:00.417345 Performance: 36.026 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 22:40:57,314 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 213300 42660 160.46 8279 17586 -9307.3 -9307.3 10.838 10.873 5.062 98098 2024-05-08 22:41:36,897 INFO [main.py:798]
{rank 0/64} MD step = 213400 step time: 00:00:00.414310 Performance: 36.026 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 22:41:44,435 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 213400 42680 163.28 8750.5 17895 -9144.7 -9144.7 10.844 10.877 5.0649 98149 2024-05-08 22:42:23,218 INFO [main.py:798]
{rank 0/64} MD step = 213500 step time: 00:00:00.405907 Performance: 36.027 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 22:42:31,979 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 213500 42700 160.24 8322.2 17562 -9240.2 -9240.2 10.85 10.883 5.0671 98180 2024-05-08 22:43:08,914 INFO [main.py:798]
{rank 0/64} MD step = 213600 step time: 00:00:00.432110 Performance: 36.028 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 22:43:15,791 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 213600 42720 158.42 8146.4 17363 -9216.4 -9216.4 10.855 10.889 5.0681 98206 2024-05-08 22:43:54,945 INFO [main.py:798]
{rank 0/64} MD step = 213700 step time: 00:00:00.413786 Performance: 36.028 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 22:44:07,876 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 213700 42740 160.05 8390.8 17542 -9151.2 -9151.2 10.862 10.894 5.0709 98262 2024-05-08 22:44:48,722 INFO [main.py:798]
{rank 0/64} MD step = 213800 step time: 00:00:00.436985 Performance: 36.026 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 22:44:55,067 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 213800 42760 159.62 8159 17494 -9335.5 -9335.5 10.868 10.9 5.0717 98291 2024-05-08 22:45:34,072 INFO [main.py:798]
{rank 0/64} MD step = 213900 step time: 00:00:00.373726 Performance: 36.027 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 22:45:41,120 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 213900 42780 160.13 8352.4 17550 -9197.6 -9197.6 10.871 10.904 5.0746 98339 2024-05-08 22:46:20,165 INFO [main.py:798]
{rank 0/64} MD step = 214000 step time: 00:00:00.368511 Performance: 36.028 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 22:46:26,744 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214000 42800 159.48 8257.3 17479 -9221.8 -9221.8 10.877 10.908 5.0763 98384 2024-05-08 22:47:05,718 INFO [main.py:798]
{rank 0/64} MD step = 214100 step time: 00:00:00.378664 Performance: 36.029 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 22:47:12,198 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214100 42820 161.36 8562.2 17685 -9123.1 -9123.1 10.882 10.911 5.0794 98426 2024-05-08 22:47:51,454 INFO [main.py:798]
{rank 0/64} MD step = 214200 step time: 00:00:00.375429 Performance: 36.030 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 22:47:58,701 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214200 42840 160.04 8288.9 17540 -9251.4 -9251.4 10.886 10.917 5.0829 98441 2024-05-08 22:48:37,898 INFO [main.py:798]
{rank 0/64} MD step = 214300 step time: 00:00:00.386162 Performance: 36.030 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 22:48:45,060 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214300 42860 160.32 8387 17571 -9184.2 -9184.2 10.89 10.921 5.0859 98505 2024-05-08 22:49:22,395 INFO [main.py:798]
{rank 0/64} MD step = 214400 step time: 00:00:00.413643 Performance: 36.031 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 22:49:31,368 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214400 42880 159.72 8257.5 17506 -9248.1 -9248.1 10.896 10.926 5.0886 98567 2024-05-08 22:50:10,441 INFO [main.py:798]
{rank 0/64} MD step = 214500 step time: 00:00:00.363592 Performance: 36.031 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 22:50:18,826 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214500 42900 159.14 8201.2 17442 -9240.7 -9240.7 10.904 10.931 5.0895 98618 2024-05-08 22:50:58,882 INFO [main.py:798]
{rank 0/64} MD step = 214600 step time: 00:00:00.366285 Performance: 36.031 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 22:51:05,338 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214600 42920 159.09 8329.9 17437 -9106.8 -9106.8 10.908 10.936 5.0914 98666 2024-05-08 22:51:44,316 INFO [main.py:798]
{rank 0/64} MD step = 214700 step time: 00:00:00.357520 Performance: 36.032 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 22:51:51,330 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214700 42940 158.76 8183.8 17400 -9216.1 -9216.1 10.911 10.941 5.0931 98699 2024-05-08 22:52:30,702 INFO [main.py:798]
{rank 0/64} MD step = 214800 step time: 00:00:00.355389 Performance: 36.033 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 22:52:36,959 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214800 42960 160.72 8430.6 17615 -9184.4 -9184.4 10.913 10.946 5.0938 98745 2024-05-08 22:53:16,401 INFO [main.py:798]
{rank 0/64} MD step = 214900 step time: 00:00:00.364388 Performance: 36.033 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 22:53:23,803 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 214900 42980 158.92 8260.3 17418 -9157.3 -9157.3 10.92 10.95 5.0954 98752 2024-05-08 22:54:04,769 INFO [main.py:798]
{rank 0/64} MD step = 215000 step time: 00:00:00.404010 Performance: 36.033 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 22:54:12,052 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215000 43000 158.96 8211.6 17422 -9210.8 -9210.8 10.924 10.955 5.0971 98801 2024-05-08 22:54:51,183 INFO [main.py:798]
{rank 0/64} MD step = 215100 step time: 00:00:00.429172 Performance: 36.034 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 22:54:58,714 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215100 43020 161.04 8408.1 17650 -9241.8 -9241.8 10.93 10.961 5.0981 98831 2024-05-08 22:55:37,279 INFO [main.py:798]
{rank 0/64} MD step = 215200 step time: 00:00:00.417661 Performance: 36.034 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 22:55:45,930 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215200 43040 159.63 8300.2 17496 -9195.6 -9195.6 10.934 10.965 5.102 98904 2024-05-08 22:56:24,732 INFO [main.py:798]
{rank 0/64} MD step = 215300 step time: 00:00:00.431521 Performance: 36.035 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 22:56:31,132 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215300 43060 158.62 8145.8 17385 -9239.3 -9239.3 10.94 10.971 5.1036 98930 2024-05-08 22:57:10,073 INFO [main.py:798]
{rank 0/64} MD step = 215400 step time: 00:00:00.398926 Performance: 36.035 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 22:57:18,256 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215400 43080 159.53 8320.6 17485 -9164.5 -9164.5 10.944 10.974 5.1067 98983 2024-05-08 22:57:57,543 INFO [main.py:798]
{rank 0/64} MD step = 215500 step time: 00:00:00.382045 Performance: 36.036 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 22:58:11,119 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215500 43100 160.14 8311.1 17552 -9241 -9241 10.949 10.979 5.1092 99047 2024-05-08 22:58:49,834 INFO [main.py:798]
{rank 0/64} MD step = 215600 step time: 00:00:00.410288 Performance: 36.034 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 22:58:56,766 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215600 43120 159.03 8290.1 17430 -9140.3 -9140.3 10.956 10.984 5.1126 99052 2024-05-08 22:59:34,432 INFO [main.py:798]
{rank 0/64} MD step = 215700 step time: 00:00:00.414680 Performance: 36.035 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 22:59:41,221 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215700 43140 159.71 8409.1 17504 -9095.3 -9095.3 10.96 10.991 5.1142 99111 2024-05-08 23:00:22,143 INFO [main.py:798]
{rank 0/64} MD step = 215800 step time: 00:00:00.387729 Performance: 36.035 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 23:00:28,165 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215800 43160 158.68 8179.9 17391 -9211.3 -9211.3 10.965 10.995 5.1173 99152 2024-05-08 23:01:08,227 INFO [main.py:798]
{rank 0/64} MD step = 215900 step time: 00:00:00.413241 Performance: 36.036 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 23:01:14,298 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 215900 43180 158.03 8077.9 17320 -9242.4 -9242.4 10.969 10.998 5.1196 99211 2024-05-08 23:01:53,540 INFO [main.py:798]
{rank 0/64} MD step = 216000 step time: 00:00:00.418146 Performance: 36.037 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 23:02:07,652 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 216000 43200 160.59 8435.6 17601 -9164.9 -9164.9 10.973 11.004 5.1216 99268 2024-05-08 23:02:46,721 INFO [main.py:798]
{rank 0/64} MD step = 216100 step time: 00:00:00.411925 Performance: 36.035 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 23:02:52,264 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 216100 43220 160.13 8345.3 17551 -9205.3 -9205.3 10.98 11.008 5.1245 99326 2024-05-08 23:03:32,313 INFO [main.py:798]
{rank 0/64} MD step = 216200 step time: 00:00:00.391799 Performance: 36.036 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 23:03:40,636 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 216200 43240 158.89 8209.7 17415 -9205.3 -9205.3 10.985 11.012 5.1277 99370 2024-05-08 23:04:20,241 INFO [main.py:798]
{rank 0/64} MD step = 216300 step time: 00:00:00.376543 Performance: 36.036 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 23:04:28,160 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 216300 43260 163.77 8774.7 17950 -9175 -9175 10.989 11.019 5.1289 99461 2024-05-08 23:05:07,801 INFO [main.py:798]
{rank 0/64} MD step = 216400 step time: 00:00:00.425620 Performance: 36.036 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 23:05:15,780 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 216400 43280 159.48 8252.3 17480 -9227.4 -9227.4 10.996 11.024 5.1319 99466 2024-05-08 23:05:56,370 INFO [main.py:798]
{rank 0/64} MD step = 216500 step time: 00:00:00.385698 Performance: 36.036 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 23:06:04,358 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 216500 43300 158.41 8297.9 17362 -9064.1 -9064.1 11.002 11.026 5.1347 99527 2024-05-08 23:06:44,757 INFO [main.py:798]
{rank 0/64} MD step = 216600 step time: 00:00:00.356524 Performance: 36.036 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 23:06:51,797 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 216600 43320 160.84 8372.8 17629 -9255.9 -9255.9 11.006 11.031 5.1366 99559 2024-05-08 23:07:31,286 INFO [main.py:798]
{rank 0/64} MD step = 216700 step time: 00:00:00.374005 Performance: 36.036 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 23:07:38,937 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 216700 43340 160.08 8390 17545 -9155 -9155 11.011 11.037 5.1388 99608 2024-05-08 23:08:17,983 INFO [main.py:798]
{rank 0/64} MD step = 216800 step time: 00:00:00.376465 Performance: 36.037 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 23:08:26,927 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 216800 43360 158.25 8233 17344 -9111 -9111 11.014 11.043 5.1405 99641 2024-05-08 23:09:05,848 INFO [main.py:798]
{rank 0/64} MD step = 216900 step time: 00:00:00.371793 Performance: 36.037 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 23:09:13,642 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 216900 43380 163.3 8684 17898 -9214 -9214 11.018 11.049 5.1423 99717 2024-05-08 23:09:53,617 INFO [main.py:798]
{rank 0/64} MD step = 217000 step time: 00:00:00.408196 Performance: 36.037 ns/day 0.666 hours/ns 2.085 steps/s 2024-05-08 23:09:58,273 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 217000 43400 160.54 8331.9 17595 -9263.6 -9263.6 11.023 11.054 5.1458 99755 2024-05-08 23:10:38,819 INFO [main.py:798]
{rank 0/64} MD step = 217100 step time: 00:00:00.391347 Performance: 36.038 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:10:45,572 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 217100 43420 161.59 8522.6 17711 -9188.4 -9188.4 11.027 11.06 5.1477 99807 2024-05-08 23:11:23,840 INFO [main.py:798]
{rank 0/64} MD step = 217200 step time: 00:00:00.408080 Performance: 36.039 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:11:30,803 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 217200 43440 158.05 8163.2 17322 -9159.2 -9159.2 11.032 11.065 5.1498 99837 2024-05-08 23:12:11,282 INFO [main.py:798]
{rank 0/64} MD step = 217300 step time: 00:00:00.412593 Performance: 36.039 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:12:17,733 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 217300 43460 159.56 8302.8 17488 -9185 -9185 11.037 11.071 5.1525 99908 2024-05-08 23:12:57,068 INFO [main.py:798]
{rank 0/64} MD step = 217400 step time: 00:00:00.400944 Performance: 36.040 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:13:04,184 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 217400 43480 160.7 8354.4 17613 -9258.7 -9258.7 11.041 11.076 5.1538 99962 2024-05-08 23:13:44,097 INFO [main.py:798]
{rank 0/64} MD step = 217500 step time: 00:00:00.406626 Performance: 36.040 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:13:55,242 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 217500 43500 157.91 8002.6 17308 -9304.9 -9304.9 11.046 11.081 5.1559 99994 2024-05-08 23:14:36,831 INFO [main.py:798]
{rank 0/64} MD step = 217600 step time: 00:00:00.382039 Performance: 36.038 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:14:43,732 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 217600 43520 158.38 8231.6 17359 -9127.1 -9127.1 11.053 11.088 5.1585 1.0005e+05 2024-05-08 23:15:23,470 INFO [main.py:798]
{rank 0/64} MD step = 217700 step time: 00:00:00.375616 Performance: 36.039 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:15:30,817 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 217700 43540 158.11 7920.6 17329 -9408.1 -9408.1 11.057 11.093 5.1625 1.0007e+05 2024-05-08 23:16:10,031 INFO [main.py:798]
{rank 0/64} MD step = 217800 step time: 00:00:00.383068 Performance: 36.039 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:16:16,660 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 217800 43560 159.74 8322.8 17508 -9185.1 -9185.1 11.061 11.1 5.1651 1.0016e+05 2024-05-08 23:16:57,150 INFO [main.py:798]
{rank 0/64} MD step = 217900 step time: 00:00:00.409842 Performance: 36.039 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:17:03,045 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 217900 43580 162.52 8638.7 17812 -9173.5 -9173.5 11.066 11.105 5.1677 1.0019e+05 2024-05-08 23:17:43,498 INFO [main.py:798]
{rank 0/64} MD step = 218000 step time: 00:00:00.455790 Performance: 36.040 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:17:51,691 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 218000 43600 158.25 8159.4 17344 -9184.9 -9184.9 11.07 11.108 5.1697 1.0023e+05 2024-05-08 23:18:30,910 INFO [main.py:798]
{rank 0/64} MD step = 218100 step time: 00:00:00.373719 Performance: 36.040 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:18:38,238 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 218100 43620 157.93 8108.2 17309 -9201 -9201 11.076 11.114 5.1697 1.0027e+05 2024-05-08 23:19:16,743 INFO [main.py:798]
{rank 0/64} MD step = 218200 step time: 00:00:00.396159 Performance: 36.041 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:19:23,579 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 218200 43640 158.65 8228.2 17388 -9159.9 -9159.9 11.08 11.119 5.1735 1.0034e+05 2024-05-08 23:20:03,389 INFO [main.py:798]
{rank 0/64} MD step = 218300 step time: 00:00:00.349019 Performance: 36.041 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:20:09,047 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 218300 43660 158.17 8356.9 17336 -8979.2 -8979.2 11.086 11.122 5.1767 1.0039e+05 2024-05-08 23:20:48,904 INFO [main.py:798]
{rank 0/64} MD step = 218400 step time: 00:00:00.346887 Performance: 36.042 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:20:55,829 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 218400 43680 160.55 8432.2 17596 -9163.9 -9163.9 11.092 11.128 5.1774 1.0046e+05 2024-05-08 23:21:35,017 INFO [main.py:798]
{rank 0/64} MD step = 218500 step time: 00:00:00.346016 Performance: 36.043 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:21:40,081 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 218500 43700 159.73 8336.3 17507 -9170.4 -9170.4 11.098 11.133 5.1794 1.0051e+05 2024-05-08 23:22:22,992 INFO [main.py:798]
{rank 0/64} MD step = 218600 step time: 00:00:00.381565 Performance: 36.043 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:22:29,423 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 218600 43720 158.47 8241.3 17369 -9127.5 -9127.5 11.106 11.137 5.1838 1.0051e+05 2024-05-08 23:23:09,159 INFO [main.py:798]
{rank 0/64} MD step = 218700 step time: 00:00:00.362122 Performance: 36.043 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:23:16,495 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 218700 43740 160.4 8418.4 17580 -9161.2 -9161.2 11.109 11.141 5.1866 1.0057e+05 2024-05-08 23:23:54,827 INFO [main.py:798]
{rank 0/64} MD step = 218800 step time: 00:00:00.392460 Performance: 36.044 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:24:03,733 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 218800 43760 159.26 8319.7 17455 -9135 -9135 11.114 11.146 5.1902 1.0059e+05 2024-05-08 23:24:42,601 INFO [main.py:798]
{rank 0/64} MD step = 218900 step time: 00:00:00.366784 Performance: 36.044 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:24:50,600 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 218900 43780 157.94 8126.2 17311 -9184.5 -9184.5 11.122 11.152 5.1918 1.0067e+05 2024-05-08 23:25:29,823 INFO [main.py:798]
{rank 0/64} MD step = 219000 step time: 00:00:00.368069 Performance: 36.045 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:25:37,747 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 219000 43800 161.88 8564.8 17742 -9177.5 -9177.5 11.127 11.158 5.1916 1.0074e+05 2024-05-08 23:26:17,377 INFO [main.py:798]
{rank 0/64} MD step = 219100 step time: 00:00:00.421122 Performance: 36.045 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:26:29,625 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 219100 43820 160.46 8307.1 17586 -9279.2 -9279.2 11.132 11.163 5.1967 1.0076e+05 2024-05-08 23:27:11,105 INFO [main.py:798]
{rank 0/64} MD step = 219200 step time: 00:00:00.400310 Performance: 36.043 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:27:22,160 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 219200 43840 159.13 8310.3 17441 -9131.1 -9131.1 11.135 11.169 5.1975 1.0083e+05 2024-05-08 23:28:00,855 INFO [main.py:798]
{rank 0/64} MD step = 219300 step time: 00:00:00.362925 Performance: 36.042 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:28:13,786 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 219300 43860 161.39 8580.4 17688 -9107.6 -9107.6 11.137 11.174 5.1984 1.0086e+05 2024-05-08 23:28:51,915 INFO [main.py:798]
{rank 0/64} MD step = 219400 step time: 00:00:00.380473 Performance: 36.041 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:29:01,283 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 219400 43880 161.16 8513 17663 -9150.4 -9150.4 11.142 11.179 5.1999 1.0091e+05 2024-05-08 23:29:40,008 INFO [main.py:798]
{rank 0/64} MD step = 219500 step time: 00:00:00.388693 Performance: 36.041 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:29:46,121 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 219500 43900 161.09 8326.1 17656 -9329.6 -9329.6 11.147 11.183 5.2022 1.0097e+05 2024-05-08 23:30:24,312 INFO [main.py:798]
{rank 0/64} MD step = 219600 step time: 00:00:00.387933 Performance: 36.042 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:30:29,979 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 219600 43920 162.82 8782 17846 -9063.8 -9063.8 11.152 11.188 5.2059 1.0101e+05 2024-05-08 23:31:13,817 INFO [main.py:798]
{rank 0/64} MD step = 219700 step time: 00:00:00.392329 Performance: 36.042 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:31:19,971 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 219700 43940 158.2 8105.5 17339 -9233.4 -9233.4 11.158 11.195 5.2063 1.0103e+05 2024-05-08 23:31:58,512 INFO [main.py:798]
{rank 0/64} MD step = 219800 step time: 00:00:00.358377 Performance: 36.043 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:32:05,954 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 219800 43960 161.83 8475.2 17737 -9262.1 -9262.1 11.164 11.199 5.2102 1.0108e+05 2024-05-08 23:32:43,873 INFO [main.py:798]
{rank 0/64} MD step = 219900 step time: 00:00:00.362726 Performance: 36.044 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:32:50,273 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 219900 43980 162.84 8628 17848 -9220 -9220 11.17 11.205 5.2133 1.0111e+05 2024-05-08 23:33:28,320 INFO [main.py:798]
{rank 0/64} MD step = 220000 step time: 00:00:00.357500 Performance: 36.045 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:33:36,665 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 220000 44000 161.31 8592.3 17680 -9087.9 -9087.9 11.176 11.208 5.2153 1.012e+05 2024-05-08 23:34:16,103 INFO [main.py:798]
{rank 0/64} MD step = 220100 step time: 00:00:00.393474 Performance: 36.045 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:34:23,451 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 220100 44020 157.99 7992.8 17316 -9323.4 -9323.4 11.181 11.212 5.2186 1.0124e+05 2024-05-08 23:35:02,022 INFO [main.py:798]
{rank 0/64} MD step = 220200 step time: 00:00:00.384170 Performance: 36.046 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:35:10,080 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 220200 44040 159.02 8337.4 17428 -9090.9 -9090.9 11.185 11.214 5.2188 1.0129e+05 2024-05-08 23:35:49,559 INFO [main.py:798]
{rank 0/64} MD step = 220300 step time: 00:00:00.392265 Performance: 36.046 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:35:56,273 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 220300 44060 159.83 8345.8 17517 -9171.5 -9171.5 11.19 11.219 5.2222 1.0132e+05 2024-05-08 23:36:35,619 INFO [main.py:798]
{rank 0/64} MD step = 220400 step time: 00:00:00.397321 Performance: 36.046 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:36:42,166 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 220400 44080 159.42 8217.6 17473 -9255.5 -9255.5 11.196 11.225 5.2259 1.0136e+05 2024-05-08 23:37:20,881 INFO [main.py:798]
{rank 0/64} MD step = 220500 step time: 00:00:00.405001 Performance: 36.047 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:37:24,986 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 220500 44100 160.69 8441 17611 -9170.4 -9170.4 11.2 11.231 5.2262 1.0137e+05 2024-05-08 23:38:04,102 INFO [main.py:798]
{rank 0/64} MD step = 220600 step time: 00:00:00.418235 Performance: 36.049 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:38:10,267 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 220600 44120 161.49 8385.1 17700 -9314.4 -9314.4 11.207 11.237 5.2279 1.014e+05 2024-05-08 23:38:47,922 INFO [main.py:798]
{rank 0/64} MD step = 220700 step time: 00:00:00.390341 Performance: 36.050 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:38:54,029 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 220700 44140 161.38 8588.6 17687 -9098.9 -9098.9 11.21 11.241 5.2312 1.0145e+05 2024-05-08 23:39:33,125 INFO [main.py:798]
{rank 0/64} MD step = 220800 step time: 00:00:00.370775 Performance: 36.051 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:39:39,219 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 220800 44160 160.21 8336.5 17560 -9223.2 -9223.2 11.216 11.247 5.2351 1.0146e+05 2024-05-08 23:40:18,401 INFO [main.py:798]
{rank 0/64} MD step = 220900 step time: 00:00:00.389612 Performance: 36.052 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:40:27,613 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 220900 44180 159.63 8398.1 17496 -9097.8 -9097.8 11.22 11.252 5.2372 1.0155e+05 2024-05-08 23:41:09,290 INFO [main.py:798]
{rank 0/64} MD step = 221000 step time: 00:00:00.379307 Performance: 36.051 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:41:15,190 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221000 44200 159.34 8169.3 17464 -9294.5 -9294.5 11.226 11.255 5.24 1.0159e+05 2024-05-08 23:41:54,179 INFO [main.py:798]
{rank 0/64} MD step = 221100 step time: 00:00:00.394041 Performance: 36.052 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:41:59,684 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221100 44220 160.34 8345.8 17574 -9228 -9228 11.233 11.262 5.2404 1.0161e+05 2024-05-08 23:42:36,767 INFO [main.py:798]
{rank 0/64} MD step = 221200 step time: 00:00:00.388469 Performance: 36.054 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:42:44,568 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221200 44240 160.05 8274 17542 -9267.8 -9267.8 11.238 11.268 5.2428 1.0167e+05 2024-05-08 23:43:23,551 INFO [main.py:798]
{rank 0/64} MD step = 221300 step time: 00:00:00.416267 Performance: 36.054 ns/day 0.666 hours/ns 2.086 steps/s 2024-05-08 23:43:30,330 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221300 44260 158.98 8209.1 17425 -9215.7 -9215.7 11.245 11.273 5.2466 1.0171e+05 2024-05-08 23:44:09,239 INFO [main.py:798]
{rank 0/64} MD step = 221400 step time: 00:00:00.386740 Performance: 36.055 ns/day 0.666 hours/ns 2.087 steps/s 2024-05-08 23:44:15,281 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221400 44280 159.89 8239 17524 -9285 -9285 11.249 11.278 5.2477 1.0175e+05 2024-05-08 23:44:57,878 INFO [main.py:798]
{rank 0/64} MD step = 221500 step time: 00:00:00.370614 Performance: 36.055 ns/day 0.666 hours/ns 2.087 steps/s 2024-05-08 23:45:05,965 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221500 44300 159.72 8267.5 17506 -9238.3 -9238.3 11.253 11.284 5.2489 1.0179e+05 2024-05-08 23:45:44,531 INFO [main.py:798]
{rank 0/64} MD step = 221600 step time: 00:00:00.423856 Performance: 36.055 ns/day 0.666 hours/ns 2.087 steps/s 2024-05-08 23:45:51,107 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221600 44320 162.04 8507.4 17760 -9252.3 -9252.3 11.258 11.29 5.253 1.0184e+05 2024-05-08 23:46:30,665 INFO [main.py:798]
{rank 0/64} MD step = 221700 step time: 00:00:00.373092 Performance: 36.056 ns/day 0.666 hours/ns 2.087 steps/s 2024-05-08 23:46:37,377 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221700 44340 158.35 8109.9 17355 -9245.2 -9245.2 11.266 11.294 5.2552 1.0188e+05 2024-05-08 23:47:15,082 INFO [main.py:798]
{rank 0/64} MD step = 221800 step time: 00:00:00.404846 Performance: 36.057 ns/day 0.666 hours/ns 2.087 steps/s 2024-05-08 23:47:19,453 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221800 44360 158.86 8208.6 17411 -9202.6 -9202.6 11.272 11.301 5.2567 1.0195e+05 2024-05-08 23:47:57,827 INFO [main.py:798]
{rank 0/64} MD step = 221900 step time: 00:00:00.418263 Performance: 36.059 ns/day 0.666 hours/ns 2.087 steps/s 2024-05-08 23:48:03,564 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 221900 44380 158.01 8315.2 17318 -9002.7 -9002.7 11.276 11.307 5.2598 1.0201e+05 2024-05-08 23:48:42,852 INFO [main.py:798]
{rank 0/64} MD step = 222000 step time: 00:00:00.390010 Performance: 36.060 ns/day 0.666 hours/ns 2.087 steps/s 2024-05-08 23:48:48,935 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222000 44400 160.83 8379.5 17627 -9247.1 -9247.1 11.282 11.314 5.2627 1.0201e+05 2024-05-08 23:49:27,818 INFO [main.py:798]
{rank 0/64} MD step = 222100 step time: 00:00:00.417684 Performance: 36.061 ns/day 0.666 hours/ns 2.087 steps/s 2024-05-08 23:49:34,142 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222100 44420 161.65 8598.8 17717 -9117.9 -9117.9 11.287 11.319 5.263 1.0206e+05 2024-05-08 23:50:13,871 INFO [main.py:798]
{rank 0/64} MD step = 222200 step time: 00:00:00.369658 Performance: 36.061 ns/day 0.666 hours/ns 2.087 steps/s 2024-05-08 23:50:20,395 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222200 44440 158.58 8143.5 17381 -9237.3 -9237.3 11.291 11.323 5.2645 1.021e+05 2024-05-08 23:50:58,338 INFO [main.py:798]
{rank 0/64} MD step = 222300 step time: 00:00:00.370836 Performance: 36.063 ns/day 0.666 hours/ns 2.087 steps/s 2024-05-08 23:51:05,739 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222300 44460 160.22 8449.2 17561 -9111.6 -9111.6 11.296 11.329 5.2673 1.0213e+05 2024-05-08 23:51:43,962 INFO [main.py:798]
{rank 0/64} MD step = 222400 step time: 00:00:00.371524 Performance: 36.063 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-08 23:51:51,304 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222400 44480 160.31 8526.7 17571 -9043.9 -9043.9 11.302 11.335 5.269 1.0222e+05 2024-05-08 23:52:30,221 INFO [main.py:798]
{rank 0/64} MD step = 222500 step time: 00:00:00.372051 Performance: 36.064 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-08 23:52:36,813 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222500 44500 160.19 8333 17557 -9224.5 -9224.5 11.306 11.34 5.2707 1.0226e+05 2024-05-08 23:53:15,933 INFO [main.py:798]
{rank 0/64} MD step = 222600 step time: 00:00:00.356423 Performance: 36.065 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-08 23:53:23,780 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222600 44520 158.9 8253.1 17415 -9162 -9162 11.312 11.347 5.2742 1.0229e+05 2024-05-08 23:54:03,134 INFO [main.py:798]
{rank 0/64} MD step = 222700 step time: 00:00:00.361928 Performance: 36.065 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-08 23:54:09,298 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222700 44540 162.1 8480.8 17767 -9285.9 -9285.9 11.315 11.351 5.2773 1.0235e+05 2024-05-08 23:54:49,703 INFO [main.py:798]
{rank 0/64} MD step = 222800 step time: 00:00:00.372135 Performance: 36.065 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-08 23:54:55,779 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222800 44560 157.86 8135.6 17301 -9165.9 -9165.9 11.319 11.356 5.2808 1.0242e+05 2024-05-08 23:55:33,822 INFO [main.py:798]
{rank 0/64} MD step = 222900 step time: 00:00:00.377841 Performance: 36.067 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-08 23:55:41,714 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 222900 44580 158.51 8079.6 17372 -9292.9 -9292.9 11.324 11.359 5.2816 1.0247e+05 2024-05-08 23:56:20,909 INFO [main.py:798]
{rank 0/64} MD step = 223000 step time: 00:00:00.386165 Performance: 36.067 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-08 23:56:26,373 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 223000 44600 162.95 8686.1 17860 -9173.8 -9173.8 11.329 11.362 5.2848 1.025e+05 2024-05-08 23:57:05,686 INFO [main.py:798]
{rank 0/64} MD step = 223100 step time: 00:00:00.387802 Performance: 36.068 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-08 23:57:12,102 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 223100 44620 156.66 7923.7 17170 -9246.4 -9246.4 11.333 11.369 5.2849 1.0256e+05 2024-05-08 23:57:50,703 INFO [main.py:798]
{rank 0/64} MD step = 223200 step time: 00:00:00.376051 Performance: 36.069 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-08 23:57:54,848 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 223200 44640 161.18 8398.3 17665 -9267.1 -9267.1 11.338 11.375 5.2873 1.0261e+05 2024-05-08 23:58:35,590 INFO [main.py:798]
{rank 0/64} MD step = 223300 step time: 00:00:00.382922 Performance: 36.070 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-08 23:58:41,284 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 223300 44660 158.88 8333.3 17413 -9080.2 -9080.2 11.345 11.38 5.2899 1.0268e+05 2024-05-08 23:59:20,445 INFO [main.py:798]
{rank 0/64} MD step = 223400 step time: 00:00:00.367679 Performance: 36.071 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-08 23:59:26,681 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 223400 44680 160.82 8402.3 17626 -9223.3 -9223.3 11.35 11.385 5.2917 1.0271e+05 2024-05-09 00:00:06,875 INFO [main.py:798]
{rank 0/64} MD step = 223500 step time: 00:00:00.413192 Performance: 36.072 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-09 00:00:28,108 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 223500 44700 158.51 8164.5 17373 -9208.3 -9208.3 11.354 11.389 5.2953 1.0272e+05 2024-05-09 00:01:07,266 INFO [main.py:798]
{rank 0/64} MD step = 223600 step time: 00:00:00.391432 Performance: 36.067 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-09 00:01:12,636 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 223600 44720 157.51 8039.1 17264 -9224.6 -9224.6 11.359 11.395 5.2966 1.0276e+05 2024-05-09 00:01:51,423 INFO [main.py:798]
{rank 0/64} MD step = 223700 step time: 00:00:00.379605 Performance: 36.069 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-09 00:02:06,260 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 223700 44740 158.58 8257.6 17380 -9122.6 -9122.6 11.366 11.4 5.301 1.0281e+05 2024-05-09 00:02:45,198 INFO [main.py:798]
{rank 0/64} MD step = 223800 step time: 00:00:00.417141 Performance: 36.067 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-09 00:02:52,104 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 223800 44760 161.24 8440.1 17672 -9232.1 -9232.1 11.37 11.404 5.3029 1.0286e+05 2024-05-09 00:03:28,628 INFO [main.py:798]
{rank 0/64} MD step = 223900 step time: 00:00:00.386092 Performance: 36.068 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-09 00:03:34,645 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 223900 44780 157.84 8159.1 17300 -9140.7 -9140.7 11.376 11.408 5.3069 1.0292e+05 2024-05-09 00:04:13,964 INFO [main.py:798]
{rank 0/64} MD step = 224000 step time: 00:00:00.387713 Performance: 36.069 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-09 00:04:20,516 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224000 44800 160.59 8413.5 17601 -9187.6 -9187.6 11.38 11.411 5.3095 1.0294e+05 2024-05-09 00:05:01,297 INFO [main.py:798]
{rank 0/64} MD step = 224100 step time: 00:00:00.377668 Performance: 36.069 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-09 00:05:08,009 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224100 44820 160.3 8344.8 17569 -9223.7 -9223.7 11.385 11.416 5.3133 1.03e+05 2024-05-09 00:05:47,427 INFO [main.py:798]
{rank 0/64} MD step = 224200 step time: 00:00:00.400441 Performance: 36.070 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-09 00:05:54,658 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224200 44840 161.01 8502 17647 -9144.7 -9144.7 11.389 11.423 5.316 1.0306e+05 2024-05-09 00:06:34,258 INFO [main.py:798]
{rank 0/64} MD step = 224300 step time: 00:00:00.387601 Performance: 36.070 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-09 00:06:40,369 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224300 44860 160.97 8398.3 17643 -9244.5 -9244.5 11.397 11.428 5.3179 1.0309e+05 2024-05-09 00:07:22,719 INFO [main.py:798]
{rank 0/64} MD step = 224400 step time: 00:00:00.411133 Performance: 36.070 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-09 00:07:30,327 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224400 44880 159.64 8204.1 17497 -9292.6 -9292.6 11.403 11.432 5.3196 1.0314e+05 2024-05-09 00:08:10,626 INFO [main.py:798]
{rank 0/64} MD step = 224500 step time: 00:00:00.388884 Performance: 36.070 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-09 00:08:18,036 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224500 44900 160.1 8254.7 17548 -9292.9 -9292.9 11.406 11.438 5.323 1.0319e+05 2024-05-09 00:08:56,049 INFO [main.py:798]
{rank 0/64} MD step = 224600 step time: 00:00:00.426252 Performance: 36.071 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-09 00:09:02,001 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224600 44920 158.67 8080.4 17391 -9310.2 -9310.2 11.412 11.441 5.3276 1.0324e+05 2024-05-09 00:09:40,925 INFO [main.py:798]
{rank 0/64} MD step = 224700 step time: 00:00:00.382427 Performance: 36.072 ns/day 0.665 hours/ns 2.087 steps/s 2024-05-09 00:09:46,483 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224700 44940 161.39 8403.6 17689 -9285.3 -9285.3 11.415 11.444 5.3295 1.0327e+05 2024-05-09 00:10:26,197 INFO [main.py:798]
{rank 0/64} MD step = 224800 step time: 00:00:00.370082 Performance: 36.073 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:10:31,924 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224800 44960 161.8 8660.5 17734 -9073.3 -9073.3 11.421 11.449 5.3325 1.0332e+05 2024-05-09 00:11:11,044 INFO [main.py:798]
{rank 0/64} MD step = 224900 step time: 00:00:00.396359 Performance: 36.074 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:11:21,914 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 224900 44980 161.59 8559.5 17710 -9150.8 -9150.8 11.427 11.454 5.3339 1.0335e+05 2024-05-09 00:11:59,842 INFO [main.py:798]
{rank 0/64} MD step = 225000 step time: 00:00:00.397869 Performance: 36.073 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:12:06,055 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 225000 45000 159.49 8239.7 17481 -9241.1 -9241.1 11.432 11.459 5.3361 1.0338e+05 2024-05-09 00:12:45,311 INFO [main.py:798]
{rank 0/64} MD step = 225100 step time: 00:00:00.411602 Performance: 36.074 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:12:52,726 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 225100 45020 159.24 8218.6 17453 -9234 -9234 11.436 11.465 5.3399 1.034e+05 2024-05-09 00:13:31,924 INFO [main.py:798]
{rank 0/64} MD step = 225200 step time: 00:00:00.406733 Performance: 36.075 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:13:38,414 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 225200 45040 159.42 8330.4 17473 -9142.1 -9142.1 11.444 11.469 5.343 1.0349e+05 2024-05-09 00:14:17,811 INFO [main.py:798]
{rank 0/64} MD step = 225300 step time: 00:00:00.407362 Performance: 36.075 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:14:24,065 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 225300 45060 160.41 8349.5 17581 -9231.3 -9231.3 11.45 11.475 5.3459 1.0352e+05 2024-05-09 00:15:03,409 INFO [main.py:798]
{rank 0/64} MD step = 225400 step time: 00:00:00.392295 Performance: 36.076 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:15:09,237 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 225400 45080 160.17 8383.7 17554 -9170.7 -9170.7 11.455 11.48 5.3474 1.0359e+05 2024-05-09 00:15:49,014 INFO [main.py:798]
{rank 0/64} MD step = 225500 step time: 00:00:00.403265 Performance: 36.077 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:15:54,992 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 225500 45100 163.71 8808.6 17943 -9134.7 -9134.7 11.46 11.486 5.3501 1.0363e+05 2024-05-09 00:16:36,198 INFO [main.py:798]
{rank 0/64} MD step = 225600 step time: 00:00:00.404581 Performance: 36.077 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:16:43,186 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 225600 45120 160.73 8490.9 17616 -9125.2 -9125.2 11.465 11.492 5.3537 1.0369e+05 2024-05-09 00:17:22,050 INFO [main.py:798]
{rank 0/64} MD step = 225700 step time: 00:00:00.377180 Performance: 36.078 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:17:28,354 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 225700 45140 163.23 8773 17891 -9117.8 -9117.8 11.471 11.497 5.355 1.0369e+05 2024-05-09 00:18:06,178 INFO [main.py:798]
{rank 0/64} MD step = 225800 step time: 00:00:00.423196 Performance: 36.079 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:18:15,878 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 225800 45160 158.46 8135.3 17368 -9232.4 -9232.4 11.475 11.501 5.3574 1.0374e+05 2024-05-09 00:18:54,730 INFO [main.py:798]
{rank 0/64} MD step = 225900 step time: 00:00:00.401412 Performance: 36.079 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:19:01,308 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 225900 45180 158.67 8193.5 17390 -9196.6 -9196.6 11.48 11.505 5.3583 1.0383e+05 2024-05-09 00:19:41,145 INFO [main.py:798]
{rank 0/64} MD step = 226000 step time: 00:00:00.406253 Performance: 36.079 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:19:46,537 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226000 45200 159.83 8385.4 17518 -9132.3 -9132.3 11.484 11.509 5.3619 1.0388e+05 2024-05-09 00:20:25,713 INFO [main.py:798]
{rank 0/64} MD step = 226100 step time: 00:00:00.403056 Performance: 36.080 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:20:32,711 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226100 45220 158.71 8124.8 17394 -9269.7 -9269.7 11.489 11.515 5.3646 1.039e+05 2024-05-09 00:21:12,221 INFO [main.py:798]
{rank 0/64} MD step = 226200 step time: 00:00:00.432554 Performance: 36.081 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:21:24,330 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226200 45240 161.74 8533.8 17727 -9193.1 -9193.1 11.497 11.522 5.3672 1.0394e+05 2024-05-09 00:22:02,301 INFO [main.py:798]
{rank 0/64} MD step = 226300 step time: 00:00:00.406267 Performance: 36.080 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:22:08,551 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226300 45260 158.74 8309.3 17398 -9088.7 -9088.7 11.503 11.528 5.3707 1.0404e+05 2024-05-09 00:22:46,993 INFO [main.py:798]
{rank 0/64} MD step = 226400 step time: 00:00:00.415129 Performance: 36.081 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:22:59,587 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226400 45280 158.97 8173.1 17423 -9250 -9250 11.509 11.533 5.3713 1.0402e+05 2024-05-09 00:23:38,895 INFO [main.py:798]
{rank 0/64} MD step = 226500 step time: 00:00:00.401405 Performance: 36.080 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:23:48,314 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226500 45300 159.09 8225.4 17436 -9210.9 -9210.9 11.513 11.54 5.3746 1.0407e+05 2024-05-09 00:24:27,467 INFO [main.py:798]
{rank 0/64} MD step = 226600 step time: 00:00:00.377761 Performance: 36.080 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:24:33,833 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226600 45320 161.24 8467.7 17672 -9203.9 -9203.9 11.519 11.545 5.3761 1.041e+05 2024-05-09 00:25:11,886 INFO [main.py:798]
{rank 0/64} MD step = 226700 step time: 00:00:00.363970 Performance: 36.081 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:25:16,539 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226700 45340 162.89 8711.8 17853 -9140.8 -9140.8 11.524 11.551 5.3771 1.0416e+05 2024-05-09 00:25:58,254 INFO [main.py:798]
{rank 0/64} MD step = 226800 step time: 00:00:00.377191 Performance: 36.081 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:26:06,088 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226800 45360 160.19 8303.6 17557 -9253.7 -9253.7 11.528 11.553 5.3804 1.042e+05 2024-05-09 00:26:43,447 INFO [main.py:798]
{rank 0/64} MD step = 226900 step time: 00:00:00.373946 Performance: 36.082 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:26:48,142 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 226900 45380 162.14 8533 17770 -9237.2 -9237.2 11.533 11.559 5.3836 1.0425e+05 2024-05-09 00:27:29,222 INFO [main.py:798]
{rank 0/64} MD step = 227000 step time: 00:00:00.406409 Performance: 36.083 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:27:36,441 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 227000 45400 159.52 8312.3 17483 -9171.1 -9171.1 11.539 11.562 5.3873 1.0431e+05 2024-05-09 00:28:17,284 INFO [main.py:798]
{rank 0/64} MD step = 227100 step time: 00:00:00.402090 Performance: 36.083 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:28:23,418 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 227100 45420 159.76 8286.4 17509 -9223 -9223 11.545 11.568 5.3878 1.0433e+05 2024-05-09 00:29:02,673 INFO [main.py:798]
{rank 0/64} MD step = 227200 step time: 00:00:00.390999 Performance: 36.084 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:29:09,029 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 227200 45440 160.97 8469.6 17643 -9173.1 -9173.1 11.549 11.572 5.3915 1.044e+05 2024-05-09 00:29:50,291 INFO [main.py:798]
{rank 0/64} MD step = 227300 step time: 00:00:00.384034 Performance: 36.084 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:29:57,951 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 227300 45460 159.59 8345.1 17491 -9146.2 -9146.2 11.555 11.578 5.394 1.0443e+05 2024-05-09 00:30:36,074 INFO [main.py:798]
{rank 0/64} MD step = 227400 step time: 00:00:00.386179 Performance: 36.085 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:30:42,774 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 227400 45480 159.54 8274.3 17486 -9211.5 -9211.5 11.561 11.581 5.3975 1.0448e+05 2024-05-09 00:31:21,771 INFO [main.py:798]
{rank 0/64} MD step = 227500 step time: 00:00:00.381136 Performance: 36.085 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:31:29,339 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 227500 45500 158.78 8165.9 17403 -9236.8 -9236.8 11.566 11.586 5.4001 1.0453e+05 2024-05-09 00:32:08,264 INFO [main.py:798]
{rank 0/64} MD step = 227600 step time: 00:00:00.403677 Performance: 36.086 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:32:14,710 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 227600 45520 159.16 8214.4 17444 -9229.8 -9229.8 11.572 11.592 5.404 1.0451e+05 2024-05-09 00:32:54,280 INFO [main.py:798]
{rank 0/64} MD step = 227700 step time: 00:00:00.395884 Performance: 36.086 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:33:00,022 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 227700 45540 159.64 8288.8 17497 -9208 -9208 11.579 11.597 5.4067 1.046e+05 2024-05-09 00:33:38,857 INFO [main.py:798]
{rank 0/64} MD step = 227800 step time: 00:00:00.396890 Performance: 36.087 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:33:46,769 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 227800 45560 160.64 8366.7 17606 -9239.6 -9239.6 11.583 11.601 5.4101 1.0464e+05 2024-05-09 00:34:23,857 INFO [main.py:798]
{rank 0/64} MD step = 227900 step time: 00:00:00.382678 Performance: 36.088 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:34:53,963 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 227900 45580 160.92 8385.4 17637 -9251.6 -9251.6 11.589 11.605 5.4131 1.0468e+05 2024-05-09 00:35:35,065 INFO [main.py:798]
{rank 0/64} MD step = 228000 step time: 00:00:00.361466 Performance: 36.081 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:35:39,987 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228000 45600 160.54 8426.2 17595 -9168.9 -9168.9 11.594 11.612 5.4146 1.0474e+05 2024-05-09 00:36:22,290 INFO [main.py:798]
{rank 0/64} MD step = 228100 step time: 00:00:00.366794 Performance: 36.081 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:36:28,955 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228100 45620 159.8 8207.2 17514 -9306.9 -9306.9 11.601 11.616 5.4162 1.0476e+05 2024-05-09 00:37:08,841 INFO [main.py:798]
{rank 0/64} MD step = 228200 step time: 00:00:00.387677 Performance: 36.081 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:37:14,384 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228200 45640 161.21 8507.9 17668 -9160.5 -9160.5 11.606 11.622 5.417 1.048e+05 2024-05-09 00:37:54,358 INFO [main.py:798]
{rank 0/64} MD step = 228300 step time: 00:00:00.389705 Performance: 36.082 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:38:00,501 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228300 45660 159.97 8395.4 17533 -9137.6 -9137.6 11.612 11.628 5.419 1.0487e+05 2024-05-09 00:38:38,696 INFO [main.py:798]
{rank 0/64} MD step = 228400 step time: 00:00:00.366175 Performance: 36.083 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:38:44,626 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228400 45680 160.57 8449.5 17599 -9149.5 -9149.5 11.616 11.633 5.423 1.0487e+05 2024-05-09 00:39:22,913 INFO [main.py:798]
{rank 0/64} MD step = 228500 step time: 00:00:00.383212 Performance: 36.084 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:39:29,763 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228500 45700 160.64 8355 17606 -9251.2 -9251.2 11.62 11.638 5.4243 1.0491e+05 2024-05-09 00:40:08,224 INFO [main.py:798]
{rank 0/64} MD step = 228600 step time: 00:00:00.354469 Performance: 36.085 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:40:18,000 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228600 45720 161.22 8489.5 17670 -9180.4 -9180.4 11.626 11.643 5.4267 1.0494e+05 2024-05-09 00:40:57,297 INFO [main.py:798]
{rank 0/64} MD step = 228700 step time: 00:00:00.402411 Performance: 36.085 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:41:05,125 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228700 45740 160.23 8396.5 17562 -9165.1 -9165.1 11.63 11.649 5.4317 1.0498e+05 2024-05-09 00:41:44,025 INFO [main.py:798]
{rank 0/64} MD step = 228800 step time: 00:00:00.371924 Performance: 36.085 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:41:50,719 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228800 45760 158.91 8285.1 17417 -9131.6 -9131.6 11.636 11.654 5.4338 1.0501e+05 2024-05-09 00:42:30,034 INFO [main.py:798]
{rank 0/64} MD step = 228900 step time: 00:00:00.364482 Performance: 36.086 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:42:52,963 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 228900 45780 158.57 8133.5 17380 -9246.1 -9246.1 11.639 11.659 5.4364 1.0505e+05 2024-05-09 00:43:31,715 INFO [main.py:798]
{rank 0/64} MD step = 229000 step time: 00:00:00.403836 Performance: 36.081 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:43:37,537 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229000 45800 158.36 8211 17356 -9145 -9145 11.644 11.664 5.4387 1.0509e+05 2024-05-09 00:44:15,239 INFO [main.py:798]
{rank 0/64} MD step = 229100 step time: 00:00:00.384976 Performance: 36.083 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:44:21,560 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229100 45820 161.39 8517.9 17688 -9170.1 -9170.1 11.647 11.667 5.4404 1.0514e+05 2024-05-09 00:45:00,353 INFO [main.py:798]
{rank 0/64} MD step = 229200 step time: 00:00:00.364192 Performance: 36.084 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:45:07,196 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229200 45840 158.81 8323.5 17405 -9081.9 -9081.9 11.651 11.672 5.4427 1.052e+05 2024-05-09 00:45:46,791 INFO [main.py:798]
{rank 0/64} MD step = 229300 step time: 00:00:00.399558 Performance: 36.084 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:45:59,308 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229300 45860 158.99 8250.9 17425 -9174.4 -9174.4 11.657 11.677 5.4478 1.0526e+05 2024-05-09 00:46:38,762 INFO [main.py:798]
{rank 0/64} MD step = 229400 step time: 00:00:00.378753 Performance: 36.083 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:46:44,697 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229400 45880 160.18 8235.8 17556 -9320.5 -9320.5 11.661 11.68 5.4509 1.0526e+05 2024-05-09 00:47:23,601 INFO [main.py:798]
{rank 0/64} MD step = 229500 step time: 00:00:00.426007 Performance: 36.084 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:47:30,658 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229500 45900 160.7 8324.1 17613 -9288.7 -9288.7 11.666 11.685 5.4522 1.0533e+05 2024-05-09 00:48:10,245 INFO [main.py:798]
{rank 0/64} MD step = 229600 step time: 00:00:00.421136 Performance: 36.084 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:48:17,204 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229600 45920 160.22 8363.7 17560 -9196.2 -9196.2 11.67 11.69 5.4543 1.0538e+05 2024-05-09 00:48:55,849 INFO [main.py:798]
{rank 0/64} MD step = 229700 step time: 00:00:00.393364 Performance: 36.085 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:49:02,267 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229700 45940 160.89 8378.8 17633 -9254.5 -9254.5 11.676 11.695 5.4561 1.0541e+05 2024-05-09 00:49:41,048 INFO [main.py:798]
{rank 0/64} MD step = 229800 step time: 00:00:00.396243 Performance: 36.086 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:49:46,930 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229800 45960 160.33 8391.6 17572 -9180.3 -9180.3 11.681 11.698 5.4583 1.0546e+05 2024-05-09 00:50:25,369 INFO [main.py:798]
{rank 0/64} MD step = 229900 step time: 00:00:00.382815 Performance: 36.087 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:50:33,115 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 229900 45980 158.64 8165.4 17387 -9221.3 -9221.3 11.688 11.704 5.4606 1.0548e+05 2024-05-09 00:51:16,034 INFO [main.py:798]
{rank 0/64} MD step = 230000 step time: 00:00:00.362994 Performance: 36.086 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:51:22,684 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 230000 46000 157.42 8001.9 17254 -9251.6 -9251.6 11.692 11.71 5.4631 1.0552e+05 2024-05-09 00:52:01,636 INFO [main.py:798]
{rank 0/64} MD step = 230100 step time: 00:00:00.395639 Performance: 36.087 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:52:07,898 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 230100 46020 159.13 8196.6 17440 -9243.7 -9243.7 11.697 11.715 5.4668 1.0557e+05 2024-05-09 00:52:46,608 INFO [main.py:798]
{rank 0/64} MD step = 230200 step time: 00:00:00.418467 Performance: 36.088 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:52:55,753 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 230200 46040 159.75 8323.1 17509 -9185.7 -9185.7 11.7 11.721 5.4693 1.0563e+05 2024-05-09 00:53:34,827 INFO [main.py:798]
{rank 0/64} MD step = 230300 step time: 00:00:00.405426 Performance: 36.088 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:53:39,926 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 230300 46060 160.35 8396.4 17574 -9178.1 -9178.1 11.706 11.724 5.4735 1.0567e+05 2024-05-09 00:54:19,178 INFO [main.py:798]
{rank 0/64} MD step = 230400 step time: 00:00:00.375370 Performance: 36.089 ns/day 0.665 hours/ns 2.088 steps/s 2024-05-09 00:54:26,255 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 230400 46080 158.37 8138.7 17357 -9218.6 -9218.6 11.712 11.728 5.4744 1.0573e+05 2024-05-09 00:55:04,852 INFO [main.py:798]
{rank 0/64} MD step = 230500 step time: 00:00:00.404804 Performance: 36.090 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-09 00:55:10,437 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 230500 46100 158.3 8097.6 17350 -9252.6 -9252.6 11.715 11.734 5.4772 1.0575e+05 2024-05-09 00:55:49,188 INFO [main.py:798]
{rank 0/64} MD step = 230600 step time: 00:00:00.370303 Performance: 36.091 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-09 00:55:55,230 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 230600 46120 160.36 8338 17576 -9238.1 -9238.1 11.721 11.738 5.4795 1.0582e+05 2024-05-09 00:56:35,428 INFO [main.py:798]
{rank 0/64} MD step = 230700 step time: 00:00:00.413377 Performance: 36.091 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-09 00:56:43,459 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 230700 46140 158.13 8124 17331 -9206.8 -9206.8 11.726 11.742 5.4829 1.0587e+05 2024-05-09 00:57:22,641 INFO [main.py:798]
{rank 0/64} MD step = 230800 step time: 00:00:00.381060 Performance: 36.092 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-09 00:57:28,694 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 230800 46160 161.68 8407.1 17720 -9313 -9313 11.729 11.748 5.4845 1.0591e+05 2024-05-09 00:58:06,790 INFO [main.py:798]
{rank 0/64} MD step = 230900 step time: 00:00:00.405270 Performance: 36.093 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-09 00:58:12,597 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 230900 46180 161.52 8447.3 17703 -9255.3 -9255.3 11.736 11.755 5.4859 1.0595e+05 2024-05-09 00:58:51,712 INFO [main.py:798]
{rank 0/64} MD step = 231000 step time: 00:00:00.383190 Performance: 36.094 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-09 00:58:57,500 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231000 46200 158.39 8207.9 17360 -9151.6 -9151.6 11.741 11.761 5.4893 1.0602e+05 2024-05-09 00:59:35,894 INFO [main.py:798]
{rank 0/64} MD step = 231100 step time: 00:00:00.405436 Performance: 36.095 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-09 00:59:41,898 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231100 46220 160.61 8548.3 17603 -9054.6 -9054.6 11.746 11.766 5.4923 1.0605e+05 2024-05-09 01:00:20,177 INFO [main.py:798]
{rank 0/64} MD step = 231200 step time: 00:00:00.374918 Performance: 36.096 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-09 01:00:28,828 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231200 46240 157.97 8047.4 17314 -9266.5 -9266.5 11.749 11.772 5.4943 1.0607e+05 2024-05-09 01:01:10,334 INFO [main.py:798]
{rank 0/64} MD step = 231300 step time: 00:00:00.399894 Performance: 36.095 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-09 01:01:20,465 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231300 46260 161.24 8576.1 17672 -9096.4 -9096.4 11.757 11.776 5.4958 1.0616e+05 2024-05-09 01:01:59,134 INFO [main.py:798]
{rank 0/64} MD step = 231400 step time: 00:00:00.414904 Performance: 36.095 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-09 01:02:08,155 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231400 46280 160.1 8255 17547 -9291.8 -9291.8 11.761 11.782 5.4985 1.0618e+05 2024-05-09 01:02:47,396 INFO [main.py:798]
{rank 0/64} MD step = 231500 step time: 00:00:00.378722 Performance: 36.095 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-09 01:02:54,761 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231500 46300 158.57 8230.8 17380 -9149 -9149 11.768 11.787 5.5026 1.0622e+05 2024-05-09 01:03:35,524 INFO [main.py:798]
{rank 0/64} MD step = 231600 step time: 00:00:00.387441 Performance: 36.095 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-09 01:03:41,829 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231600 46320 157.51 8000.1 17263 -9262.7 -9262.7 11.772 11.792 5.504 1.0625e+05 2024-05-09 01:04:21,895 INFO [main.py:798]
{rank 0/64} MD step = 231700 step time: 00:00:00.385865 Performance: 36.095 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-09 01:04:27,870 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231700 46340 159.47 8313.6 17478 -9164.1 -9164.1 11.78 11.796 5.5042 1.0633e+05 2024-05-09 01:05:07,345 INFO [main.py:798]
{rank 0/64} MD step = 231800 step time: 00:00:00.395562 Performance: 36.096 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-09 01:05:12,085 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231800 46360 160.11 8269 17548 -9279.3 -9279.3 11.787 11.802 5.5075 1.0633e+05 2024-05-09 01:05:51,767 INFO [main.py:798]
{rank 0/64} MD step = 231900 step time: 00:00:00.391294 Performance: 36.097 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-09 01:05:56,837 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 231900 46380 160.96 8458.4 17642 -9183.1 -9183.1 11.79 11.807 5.509 1.0638e+05 2024-05-09 01:06:36,408 INFO [main.py:798]
{rank 0/64} MD step = 232000 step time: 00:00:00.391072 Performance: 36.098 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-09 01:06:43,672 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 232000 46400 159.62 8363.2 17494 -9130.9 -9130.9 11.795 11.81 5.5101 1.0643e+05 2024-05-09 01:07:22,729 INFO [main.py:798]
{rank 0/64} MD step = 232100 step time: 00:00:00.364278 Performance: 36.099 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-09 01:07:28,826 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 232100 46420 159.73 8365.9 17507 -9140.9 -9140.9 11.799 11.815 5.5134 1.0649e+05 2024-05-09 01:08:07,599 INFO [main.py:798]
{rank 0/64} MD step = 232200 step time: 00:00:00.365677 Performance: 36.100 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-09 01:08:15,230 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 232200 46440 160.38 8378.2 17578 -9199.3 -9199.3 11.805 11.821 5.5151 1.0654e+05 2024-05-09 01:08:54,567 INFO [main.py:798]
{rank 0/64} MD step = 232300 step time: 00:00:00.365131 Performance: 36.100 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-09 01:09:01,285 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 232300 46460 159.51 8286.5 17482 -9195.9 -9195.9 11.809 11.826 5.5174 1.066e+05 2024-05-09 01:09:41,195 INFO [main.py:798]
{rank 0/64} MD step = 232400 step time: 00:00:00.363197 Performance: 36.100 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-09 01:09:48,758 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 232400 46480 160.56 8404.8 17597 -9192.3 -9192.3 11.813 11.831 5.5211 1.0661e+05 2024-05-09 01:10:27,709 INFO [main.py:798]
{rank 0/64} MD step = 232500 step time: 00:00:00.367055 Performance: 36.101 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-09 01:10:34,153 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 232500 46500 159.51 8224.1 17482 -9258.4 -9258.4 11.818 11.837 5.5242 1.0669e+05 2024-05-09 01:11:12,432 INFO [main.py:798]
{rank 0/64} MD step = 232600 step time: 00:00:00.360017 Performance: 36.102 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-09 01:11:19,111 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 232600 46520 159.56 8366.4 17488 -9121.7 -9121.7 11.823 11.842 5.5255 1.0676e+05 2024-05-09 01:11:58,929 INFO [main.py:798]
{rank 0/64} MD step = 232700 step time: 00:00:00.386896 Performance: 36.102 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-09 01:12:08,198 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 232700 46540 161.6 8496.7 17712 -9215.2 -9215.2 11.826 11.847 5.5254 1.0677e+05 2024-05-09 01:12:46,065 INFO [main.py:798]
{rank 0/64} MD step = 232800 step time: 00:00:00.345510 Performance: 36.103 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-09 01:12:53,358 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 232800 46560 161.42 8491.9 17692 -9199.9 -9199.9 11.832 11.853 5.5295 1.0682e+05 2024-05-09 01:13:29,266 INFO [main.py:798]
{rank 0/64} MD step = 232900 step time: 00:00:00.380318 Performance: 36.104 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-09 01:13:42,918 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 232900 46580 159.42 8195.4 17472 -9277 -9277 11.836 11.858 5.5336 1.0685e+05 2024-05-09 01:14:19,855 INFO [main.py:798]
{rank 0/64} MD step = 233000 step time: 00:00:00.344576 Performance: 36.103 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-09 01:14:26,506 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 233000 46600 159.8 8307 17514 -9206.8 -9206.8 11.84 11.864 5.5367 1.0687e+05 2024-05-09 01:15:04,599 INFO [main.py:798]
{rank 0/64} MD step = 233100 step time: 00:00:00.417465 Performance: 36.104 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-09 01:15:12,065 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 233100 46620 158.37 8141.1 17358 -9216.8 -9216.8 11.846 11.868 5.5381 1.0689e+05 2024-05-09 01:15:46,951 INFO [main.py:798]
{rank 0/64} MD step = 233200 step time: 00:00:00.354860 Performance: 36.106 ns/day 0.665 hours/ns 2.089 steps/s 2024-05-09 01:15:53,226 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 233200 46640 158.38 8174 17358 -9184.3 -9184.3 11.853 11.873 5.541 1.0694e+05 2024-05-09 01:16:27,541 INFO [main.py:798]
{rank 0/64} MD step = 233300 step time: 00:00:00.364270 Performance: 36.108 ns/day 0.665 hours/ns 2.090 steps/s 2024-05-09 01:16:34,423 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 233300 46660 157.82 8122.1 17297 -9175.2 -9175.2 11.857 11.879 5.544 1.0701e+05 2024-05-09 01:17:11,665 INFO [main.py:798]
{rank 0/64} MD step = 233400 step time: 00:00:00.378700 Performance: 36.110 ns/day 0.665 hours/ns 2.090 steps/s 2024-05-09 01:17:18,337 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 233400 46680 159.27 8338.8 17457 -9117.9 -9117.9 11.863 11.884 5.5459 1.0705e+05 2024-05-09 01:17:53,181 INFO [main.py:798]
{rank 0/64} MD step = 233500 step time: 00:00:00.340778 Performance: 36.112 ns/day 0.665 hours/ns 2.090 steps/s 2024-05-09 01:17:58,834 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 233500 46700 159.37 8320.1 17468 -9147.4 -9147.4 11.866 11.889 5.5488 1.0709e+05 2024-05-09 01:18:34,266 INFO [main.py:798]
{rank 0/64} MD step = 233600 step time: 00:00:00.362162 Performance: 36.114 ns/day 0.665 hours/ns 2.090 steps/s 2024-05-09 01:18:40,444 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 233600 46720 160.32 8329.3 17572 -9242.4 -9242.4 11.871 11.895 5.5513 1.0715e+05 2024-05-09 01:19:17,950 INFO [main.py:798]
{rank 0/64} MD step = 233700 step time: 00:00:00.353759 Performance: 36.115 ns/day 0.665 hours/ns 2.090 steps/s 2024-05-09 01:19:24,559 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 233700 46740 160.32 8395.6 17572 -9176.2 -9176.2 11.877 11.899 5.5543 1.0721e+05 2024-05-09 01:19:58,253 INFO [main.py:798]
{rank 0/64} MD step = 233800 step time: 00:00:00.338918 Performance: 36.118 ns/day 0.664 hours/ns 2.090 steps/s 2024-05-09 01:20:05,008 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 233800 46760 158.98 8225.4 17424 -9198.7 -9198.7 11.88 11.905 5.5563 1.0725e+05 2024-05-09 01:20:41,452 INFO [main.py:798]
{rank 0/64} MD step = 233900 step time: 00:00:00.402000 Performance: 36.119 ns/day 0.664 hours/ns 2.090 steps/s 2024-05-09 01:20:48,753 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 233900 46780 157.4 8051.7 17251 -9199.7 -9199.7 11.885 11.91 5.5572 1.0728e+05 2024-05-09 01:21:27,966 INFO [main.py:798]
{rank 0/64} MD step = 234000 step time: 00:00:00.360116 Performance: 36.120 ns/day 0.664 hours/ns 2.090 steps/s 2024-05-09 01:21:33,094 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234000 46800 159.79 8362 17514 -9151.5 -9151.5 11.89 11.916 5.5609 1.0733e+05 2024-05-09 01:22:11,631 INFO [main.py:798]
{rank 0/64} MD step = 234100 step time: 00:00:00.337498 Performance: 36.121 ns/day 0.664 hours/ns 2.090 steps/s 2024-05-09 01:22:16,461 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234100 46820 157.2 8054.1 17230 -9175.7 -9175.7 11.894 11.923 5.5628 1.0739e+05 2024-05-09 01:22:52,748 INFO [main.py:798]
{rank 0/64} MD step = 234200 step time: 00:00:00.387447 Performance: 36.123 ns/day 0.664 hours/ns 2.090 steps/s 2024-05-09 01:22:59,169 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234200 46840 161.17 8409.5 17664 -9254.8 -9254.8 11.897 11.928 5.5652 1.0741e+05 2024-05-09 01:23:37,069 INFO [main.py:798]
{rank 0/64} MD step = 234300 step time: 00:00:00.355064 Performance: 36.124 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-09 01:23:43,052 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234300 46860 161.08 8535.5 17654 -9118.7 -9118.7 11.903 11.933 5.5684 1.0748e+05 2024-05-09 01:24:18,560 INFO [main.py:798]
{rank 0/64} MD step = 234400 step time: 00:00:00.361008 Performance: 36.126 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-09 01:24:25,362 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234400 46880 159.19 8127.5 17448 -9320.1 -9320.1 11.907 11.937 5.5702 1.0749e+05 2024-05-09 01:25:02,293 INFO [main.py:798]
{rank 0/64} MD step = 234500 step time: 00:00:00.349614 Performance: 36.128 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-09 01:25:09,326 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234500 46900 161.65 8576.5 17717 -9140.1 -9140.1 11.913 11.943 5.5715 1.0754e+05 2024-05-09 01:25:47,629 INFO [main.py:798]
{rank 0/64} MD step = 234600 step time: 00:00:00.365176 Performance: 36.128 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-09 01:25:53,978 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234600 46920 162.07 8407.5 17763 -9355.1 -9355.1 11.918 11.951 5.5737 1.0763e+05 2024-05-09 01:26:29,482 INFO [main.py:798]
{rank 0/64} MD step = 234700 step time: 00:00:00.336001 Performance: 36.130 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-09 01:26:35,790 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234700 46940 159.95 8192.6 17531 -9338.4 -9338.4 11.922 11.957 5.5755 1.0763e+05 2024-05-09 01:27:14,044 INFO [main.py:798]
{rank 0/64} MD step = 234800 step time: 00:00:00.358443 Performance: 36.131 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-09 01:27:20,657 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234800 46960 161.42 8409.4 17692 -9282.1 -9282.1 11.925 11.961 5.5784 1.077e+05 2024-05-09 01:27:57,135 INFO [main.py:798]
{rank 0/64} MD step = 234900 step time: 00:00:00.355730 Performance: 36.133 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-09 01:28:03,335 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 234900 46980 160.34 8352.4 17573 -9220.8 -9220.8 11.93 11.966 5.5817 1.0773e+05 2024-05-09 01:28:37,078 INFO [main.py:798]
{rank 0/64} MD step = 235000 step time: 00:00:00.336945 Performance: 36.135 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-09 01:28:43,910 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235000 47000 161.14 8462.8 17661 -9198.1 -9198.1 11.936 11.973 5.5847 1.0779e+05 2024-05-09 01:29:19,779 INFO [main.py:798]
{rank 0/64} MD step = 235100 step time: 00:00:00.340388 Performance: 36.137 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-09 01:29:25,646 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235100 47020 158.36 8167.9 17356 -9188.2 -9188.2 11.941 11.978 5.5865 1.0781e+05 2024-05-09 01:30:00,898 INFO [main.py:798]
{rank 0/64} MD step = 235200 step time: 00:00:00.379157 Performance: 36.139 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-09 01:30:07,285 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235200 47040 159.32 8256.7 17462 -9205.2 -9205.2 11.946 11.982 5.5898 1.0787e+05 2024-05-09 01:30:45,019 INFO [main.py:798]
{rank 0/64} MD step = 235300 step time: 00:00:00.369107 Performance: 36.140 ns/day 0.664 hours/ns 2.091 steps/s 2024-05-09 01:30:51,681 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235300 47060 160.24 8379.5 17563 -9183.5 -9183.5 11.951 11.986 5.5938 1.079e+05 2024-05-09 01:31:28,693 INFO [main.py:798]
{rank 0/64} MD step = 235400 step time: 00:00:00.378587 Performance: 36.142 ns/day 0.664 hours/ns 2.092 steps/s 2024-05-09 01:31:37,964 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235400 47080 158.86 8164.7 17411 -9246.3 -9246.3 11.959 11.989 5.5949 1.0793e+05 2024-05-09 01:32:13,814 INFO [main.py:798]
{rank 0/64} MD step = 235500 step time: 00:00:00.346923 Performance: 36.143 ns/day 0.664 hours/ns 2.092 steps/s 2024-05-09 01:32:20,442 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235500 47100 159.37 8328 17467 -9139.4 -9139.4 11.962 11.993 5.598 1.0801e+05 2024-05-09 01:32:55,398 INFO [main.py:798]
{rank 0/64} MD step = 235600 step time: 00:00:00.358207 Performance: 36.145 ns/day 0.664 hours/ns 2.092 steps/s 2024-05-09 01:33:02,575 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235600 47120 159.55 8314.9 17487 -9171.8 -9171.8 11.967 11.997 5.5996 1.0807e+05 2024-05-09 01:33:40,388 INFO [main.py:798]
{rank 0/64} MD step = 235700 step time: 00:00:00.336718 Performance: 36.145 ns/day 0.664 hours/ns 2.092 steps/s 2024-05-09 01:33:47,026 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235700 47140 158.96 8149 17422 -9273.3 -9273.3 11.974 12.001 5.602 1.081e+05 2024-05-09 01:34:23,710 INFO [main.py:798]
{rank 0/64} MD step = 235800 step time: 00:00:00.350324 Performance: 36.147 ns/day 0.664 hours/ns 2.092 steps/s 2024-05-09 01:34:29,904 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235800 47160 157.07 7999.3 17215 -9215.2 -9215.2 11.978 12.006 5.6061 1.0812e+05 2024-05-09 01:35:07,033 INFO [main.py:798]
{rank 0/64} MD step = 235900 step time: 00:00:00.360053 Performance: 36.148 ns/day 0.664 hours/ns 2.092 steps/s 2024-05-09 01:35:12,736 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 235900 47180 157.01 7882.5 17208 -9326 -9326 11.983 12.011 5.6083 1.0817e+05 2024-05-09 01:35:48,610 INFO [main.py:798]
{rank 0/64} MD step = 236000 step time: 00:00:00.349682 Performance: 36.150 ns/day 0.664 hours/ns 2.092 steps/s 2024-05-09 01:35:54,035 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 236000 47200 159.76 8300.8 17510 -9208.9 -9208.9 11.988 12.016 5.61 1.0822e+05 2024-05-09 01:36:31,177 INFO [main.py:798]
{rank 0/64} MD step = 236100 step time: 00:00:00.358453 Performance: 36.152 ns/day 0.664 hours/ns 2.092 steps/s 2024-05-09 01:36:37,851 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 236100 47220 157.96 8163 17313 -9149.7 -9149.7 11.994 12.023 5.6139 1.083e+05 2024-05-09 01:37:14,301 INFO [main.py:798]
{rank 0/64} MD step = 236200 step time: 00:00:00.353749 Performance: 36.154 ns/day 0.664 hours/ns 2.092 steps/s 2024-05-09 01:37:21,269 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 236200 47240 163.29 8692.4 17896 -9203.9 -9203.9 11.998 12.027 5.6176 1.0834e+05 2024-05-09 01:37:58,982 INFO [main.py:798]
{rank 0/64} MD step = 236300 step time: 00:00:00.369419 Performance: 36.155 ns/day 0.664 hours/ns 2.092 steps/s 2024-05-09 01:38:04,973 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 236300 47260 162.11 8526.5 17768 -9241.2 -9241.2 12.006 12.033 5.62 1.0838e+05 2024-05-09 01:38:40,628 INFO [main.py:798]
{rank 0/64} MD step = 236400 step time: 00:00:00.355504 Performance: 36.156 ns/day 0.664 hours/ns 2.092 steps/s 2024-05-09 01:38:45,798 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 236400 47280 163.35 8655.6 17904 -9247.9 -9247.9 12.01 12.037 5.6221 1.0842e+05 2024-05-09 01:39:22,825 INFO [main.py:798]
{rank 0/64} MD step = 236500 step time: 00:00:00.378065 Performance: 36.158 ns/day 0.664 hours/ns 2.092 steps/s 2024-05-09 01:39:29,952 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 236500 47300 159.67 8344.9 17500 -9155.4 -9155.4 12.014 12.042 5.6241 1.0848e+05 2024-05-09 01:40:06,466 INFO [main.py:798]
{rank 0/64} MD step = 236600 step time: 00:00:00.370663 Performance: 36.160 ns/day 0.664 hours/ns 2.093 steps/s 2024-05-09 01:40:10,971 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 236600 47320 162.08 8516.9 17764 -9247.4 -9247.4 12.02 12.049 5.6258 1.0853e+05 2024-05-09 01:40:46,748 INFO [main.py:798]
{rank 0/64} MD step = 236700 step time: 00:00:00.373877 Performance: 36.162 ns/day 0.664 hours/ns 2.093 steps/s 2024-05-09 01:40:53,851 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 236700 47340 159.04 8186.6 17431 -9244.8 -9244.8 12.026 12.054 5.627 1.0856e+05 2024-05-09 01:41:30,897 INFO [main.py:798]
{rank 0/64} MD step = 236800 step time: 00:00:00.383828 Performance: 36.163 ns/day 0.664 hours/ns 2.093 steps/s 2024-05-09 01:41:37,060 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 236800 47360 159.64 8340.9 17497 -9156.2 -9156.2 12.031 12.058 5.6283 1.0864e+05 2024-05-09 01:42:12,145 INFO [main.py:798]
{rank 0/64} MD step = 236900 step time: 00:00:00.381550 Performance: 36.165 ns/day 0.664 hours/ns 2.093 steps/s 2024-05-09 01:42:18,922 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 236900 47380 159.03 8177.3 17430 -9252.4 -9252.4 12.038 12.062 5.6284 1.0868e+05 2024-05-09 01:42:57,363 INFO [main.py:798]
{rank 0/64} MD step = 237000 step time: 00:00:00.395614 Performance: 36.166 ns/day 0.664 hours/ns 2.093 steps/s 2024-05-09 01:43:03,893 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 237000 47400 160.11 8353.6 17549 -9195.2 -9195.2 12.043 12.066 5.6308 1.0872e+05 2024-05-09 01:43:38,435 INFO [main.py:798]
{rank 0/64} MD step = 237100 step time: 00:00:00.360513 Performance: 36.168 ns/day 0.664 hours/ns 2.093 steps/s 2024-05-09 01:43:45,356 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 237100 47420 159.22 8335.5 17451 -9115.1 -9115.1 12.049 12.072 5.6352 1.0876e+05 2024-05-09 01:44:21,846 INFO [main.py:798]
{rank 0/64} MD step = 237200 step time: 00:00:00.383639 Performance: 36.170 ns/day 0.664 hours/ns 2.093 steps/s 2024-05-09 01:44:28,917 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 237200 47440 162.09 8477.5 17765 -9287.9 -9287.9 12.055 12.079 5.6382 1.0882e+05 2024-05-09 01:45:06,942 INFO [main.py:798]
{rank 0/64} MD step = 237300 step time: 00:00:00.376575 Performance: 36.170 ns/day 0.664 hours/ns 2.093 steps/s 2024-05-09 01:45:18,577 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 237300 47460 159.29 8238.6 17458 -9219.5 -9219.5 12.06 12.084 5.6402 1.0892e+05 2024-05-09 01:45:53,401 INFO [main.py:798]
{rank 0/64} MD step = 237400 step time: 00:00:00.337557 Performance: 36.171 ns/day 0.664 hours/ns 2.093 steps/s 2024-05-09 01:46:02,555 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 237400 47480 159.14 8159.4 17442 -9282.2 -9282.2 12.067 12.089 5.6407 1.0891e+05 2024-05-09 01:46:40,289 INFO [main.py:798]
{rank 0/64} MD step = 237500 step time: 00:00:00.391467 Performance: 36.171 ns/day 0.664 hours/ns 2.093 steps/s 2024-05-09 01:46:44,697 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 237500 47500 160.49 8259 17590 -9330.8 -9330.8 12.073 12.094 5.642 1.0893e+05 2024-05-09 01:47:24,316 INFO [main.py:798]
{rank 0/64} MD step = 237600 step time: 00:00:00.430595 Performance: 36.172 ns/day 0.663 hours/ns 2.093 steps/s 2024-05-09 01:47:30,736 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 237600 47520 160.03 8324.3 17540 -9215.2 -9215.2 12.08 12.099 5.6447 1.0902e+05 2024-05-09 01:48:10,344 INFO [main.py:798]
{rank 0/64} MD step = 237700 step time: 00:00:00.402192 Performance: 36.173 ns/day 0.663 hours/ns 2.093 steps/s 2024-05-09 01:48:18,376 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 237700 47540 161.46 8438.1 17697 -9258.7 -9258.7 12.084 12.103 5.6447 1.0909e+05 2024-05-09 01:48:57,009 INFO [main.py:798]
{rank 0/64} MD step = 237800 step time: 00:00:00.406629 Performance: 36.173 ns/day 0.663 hours/ns 2.093 steps/s 2024-05-09 01:49:03,425 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 237800 47560 161.54 8509 17706 -9196.5 -9196.5 12.089 12.108 5.6474 1.0913e+05 2024-05-09 01:49:42,727 INFO [main.py:798]
{rank 0/64} MD step = 237900 step time: 00:00:00.423155 Performance: 36.174 ns/day 0.663 hours/ns 2.093 steps/s 2024-05-09 01:49:48,465 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 237900 47580 160.66 8365.6 17609 -9243.2 -9243.2 12.094 12.114 5.649 1.0916e+05 2024-05-09 01:50:26,414 INFO [main.py:798]
{rank 0/64} MD step = 238000 step time: 00:00:00.409032 Performance: 36.175 ns/day 0.663 hours/ns 2.093 steps/s 2024-05-09 01:50:32,974 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238000 47600 157.79 8082.9 17294 -9211.2 -9211.2 12.099 12.118 5.652 1.0923e+05 2024-05-09 01:51:14,197 INFO [main.py:798]
{rank 0/64} MD step = 238100 step time: 00:00:00.421399 Performance: 36.175 ns/day 0.663 hours/ns 2.093 steps/s 2024-05-09 01:51:18,858 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238100 47620 160.29 8290.8 17567 -9276.7 -9276.7 12.104 12.123 5.6533 1.0924e+05 2024-05-09 01:51:58,742 INFO [main.py:798]
{rank 0/64} MD step = 238200 step time: 00:00:00.350064 Performance: 36.176 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-09 01:52:05,647 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238200 47640 160.57 8505.1 17599 -9094.1 -9094.1 12.108 12.129 5.6549 1.0929e+05 2024-05-09 01:52:46,606 INFO [main.py:798]
{rank 0/64} MD step = 238300 step time: 00:00:00.401553 Performance: 36.176 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-09 01:52:53,645 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238300 47660 162.11 8552 17767 -9215 -9215 12.114 12.133 5.6579 1.0932e+05 2024-05-09 01:53:32,286 INFO [main.py:798]
{rank 0/64} MD step = 238400 step time: 00:00:00.393892 Performance: 36.177 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-09 01:53:39,273 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238400 47680 157.87 7991.5 17303 -9311.6 -9311.6 12.116 12.139 5.6593 1.0938e+05 2024-05-09 01:54:17,056 INFO [main.py:798]
{rank 0/64} MD step = 238500 step time: 00:00:00.368368 Performance: 36.178 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-09 01:54:23,723 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238500 47700 160.51 8434.3 17592 -9157.7 -9157.7 12.119 12.144 5.6628 1.0941e+05 2024-05-09 01:55:01,990 INFO [main.py:798]
{rank 0/64} MD step = 238600 step time: 00:00:00.396341 Performance: 36.179 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-09 01:55:08,364 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238600 47720 161.79 8531.7 17732 -9200.5 -9200.5 12.125 12.148 5.6652 1.0948e+05 2024-05-09 01:55:47,676 INFO [main.py:798]
{rank 0/64} MD step = 238700 step time: 00:00:00.391596 Performance: 36.179 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-09 01:55:54,001 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238700 47740 158.78 8025.5 17402 -9376.6 -9376.6 12.131 12.153 5.6668 1.0955e+05 2024-05-09 01:56:32,185 INFO [main.py:798]
{rank 0/64} MD step = 238800 step time: 00:00:00.417166 Performance: 36.180 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-09 01:56:42,898 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238800 47760 159.42 8265 17472 -9207.4 -9207.4 12.134 12.157 5.6735 1.0959e+05 2024-05-09 01:57:20,347 INFO [main.py:798]
{rank 0/64} MD step = 238900 step time: 00:00:00.391320 Performance: 36.180 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-09 01:57:31,839 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 238900 47780 160.57 8347.4 17598 -9250.8 -9250.8 12.141 12.163 5.6768 1.0963e+05 2024-05-09 01:58:09,822 INFO [main.py:798]
{rank 0/64} MD step = 239000 step time: 00:00:00.393405 Performance: 36.180 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-09 01:58:16,598 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 239000 47800 159.02 8144.7 17429 -9284.1 -9284.1 12.146 12.168 5.6793 1.0967e+05 2024-05-09 01:58:54,803 INFO [main.py:798]
{rank 0/64} MD step = 239100 step time: 00:00:00.460688 Performance: 36.181 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-09 01:59:00,660 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 239100 47820 161.68 8542.1 17721 -9178.6 -9178.6 12.15 12.173 5.6828 1.0973e+05 2024-05-09 01:59:40,547 INFO [main.py:798]
{rank 0/64} MD step = 239200 step time: 00:00:00.410454 Performance: 36.181 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-09 01:59:46,700 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 239200 47840 160.51 8460.3 17592 -9131.5 -9131.5 12.155 12.179 5.6851 1.0978e+05 2024-05-09 02:00:29,100 INFO [main.py:798]
{rank 0/64} MD step = 239300 step time: 00:00:00.421138 Performance: 36.181 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-09 02:00:35,693 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 239300 47860 159.3 8241.2 17459 -9217.9 -9217.9 12.16 12.184 5.6886 1.0981e+05 2024-05-09 02:01:14,967 INFO [main.py:798]
{rank 0/64} MD step = 239400 step time: 00:00:00.418686 Performance: 36.182 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-09 02:01:20,350 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 239400 47880 161.1 8442.1 17657 -9214.7 -9214.7 12.165 12.188 5.6907 1.0986e+05 2024-05-09 02:02:00,087 INFO [main.py:798]
{rank 0/64} MD step = 239500 step time: 00:00:00.399241 Performance: 36.182 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-09 02:02:06,312 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 239500 47900 161.83 8387 17736 -9349.4 -9349.4 12.17 12.194 5.6935 1.0988e+05 2024-05-09 02:02:44,738 INFO [main.py:798]
{rank 0/64} MD step = 239600 step time: 00:00:00.377002 Performance: 36.183 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-09 02:02:53,733 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 239600 47920 162.61 8726.6 17822 -9095.2 -9095.2 12.174 12.198 5.6973 1.0996e+05 2024-05-09 02:03:30,200 INFO [main.py:798]
{rank 0/64} MD step = 239700 step time: 00:00:00.388874 Performance: 36.184 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-09 02:03:37,236 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 239700 47940 158.52 8074.4 17374 -9299.4 -9299.4 12.18 12.206 5.7006 1.1002e+05 2024-05-09 02:04:17,452 INFO [main.py:798]
{rank 0/64} MD step = 239800 step time: 00:00:00.391453 Performance: 36.184 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-09 02:04:24,700 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 239800 47960 161.39 8516.2 17689 -9172.9 -9172.9 12.184 12.21 5.7037 1.1008e+05 2024-05-09 02:05:04,795 INFO [main.py:798]
{rank 0/64} MD step = 239900 step time: 00:00:00.375434 Performance: 36.184 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-09 02:05:11,223 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 239900 47980 159.7 8342.4 17503 -9161.1 -9161.1 12.191 12.215 5.7076 1.1015e+05 2024-05-09 02:05:49,000 INFO [main.py:798]
{rank 0/64} MD step = 240000 step time: 00:00:00.341336 Performance: 36.186 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-09 02:05:55,923 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240000 48000 157.65 8224.9 17279 -9054.1 -9054.1 12.195 12.221 5.7098 1.1019e+05 2024-05-09 02:06:34,717 INFO [main.py:798]
{rank 0/64} MD step = 240100 step time: 00:00:00.361134 Performance: 36.186 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-09 02:06:40,964 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240100 48020 160.37 8436.3 17577 -9140.2 -9140.2 12.201 12.229 5.7125 1.1023e+05 2024-05-09 02:07:20,688 INFO [main.py:798]
{rank 0/64} MD step = 240200 step time: 00:00:00.383358 Performance: 36.187 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-09 02:07:28,491 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240200 48040 163.31 8715.8 17899 -9182.9 -9182.9 12.206 12.234 5.7147 1.103e+05 2024-05-09 02:08:07,576 INFO [main.py:798]
{rank 0/64} MD step = 240300 step time: 00:00:00.369116 Performance: 36.187 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-09 02:08:15,279 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240300 48060 159.61 8237.4 17493 -9255.8 -9255.8 12.214 12.238 5.7156 1.103e+05 2024-05-09 02:08:55,220 INFO [main.py:798]
{rank 0/64} MD step = 240400 step time: 00:00:00.425927 Performance: 36.187 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-09 02:09:01,792 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240400 48080 160.23 8366.3 17562 -9195.5 -9195.5 12.217 12.243 5.7174 1.1034e+05 2024-05-09 02:09:41,231 INFO [main.py:798]
{rank 0/64} MD step = 240500 step time: 00:00:00.374810 Performance: 36.188 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-09 02:09:47,295 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240500 48100 159.39 8242.9 17470 -9226.8 -9226.8 12.223 12.248 5.7208 1.104e+05 2024-05-09 02:10:27,813 INFO [main.py:798]
{rank 0/64} MD step = 240600 step time: 00:00:00.375009 Performance: 36.188 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-09 02:10:35,271 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240600 48120 159.37 8252.1 17467 -9214.7 -9214.7 12.228 12.253 5.7218 1.1047e+05 2024-05-09 02:11:12,963 INFO [main.py:798]
{rank 0/64} MD step = 240700 step time: 00:00:00.390420 Performance: 36.189 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-09 02:11:18,690 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240700 48140 161.53 8488.4 17704 -9215.4 -9215.4 12.233 12.258 5.7221 1.1051e+05 2024-05-09 02:11:57,567 INFO [main.py:798]
{rank 0/64} MD step = 240800 step time: 00:00:00.367270 Performance: 36.190 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-09 02:12:03,900 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240800 48160 160.94 8371.5 17639 -9267.2 -9267.2 12.237 12.263 5.7264 1.1055e+05 2024-05-09 02:12:50,555 INFO [main.py:798]
{rank 0/64} MD step = 240900 step time: 00:00:00.504025 Performance: 36.188 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-09 02:12:55,744 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 240900 48180 158.03 8188.1 17321 -9132.4 -9132.4 12.243 12.269 5.7289 1.1062e+05 2024-05-09 02:13:34,612 INFO [main.py:798]
{rank 0/64} MD step = 241000 step time: 00:00:00.389862 Performance: 36.189 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-09 02:13:41,197 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 241000 48200 159.56 8280.7 17488 -9206.8 -9206.8 12.247 12.273 5.7299 1.1066e+05 2024-05-09 02:14:20,525 INFO [main.py:798]
{rank 0/64} MD step = 241100 step time: 00:00:00.368399 Performance: 36.190 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-09 02:14:27,356 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 241100 48220 159.42 8225.9 17473 -9247 -9247 12.253 12.278 5.7304 1.1069e+05 2024-05-09 02:15:06,178 INFO [main.py:798]
{rank 0/64} MD step = 241200 step time: 00:00:00.398061 Performance: 36.191 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-09 02:15:13,724 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 241200 48240 159.51 8321.4 17483 -9161.1 -9161.1 12.256 12.284 5.7332 1.1073e+05 2024-05-09 02:15:51,813 INFO [main.py:798]
{rank 0/64} MD step = 241300 step time: 00:00:00.390354 Performance: 36.191 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-09 02:15:58,272 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 241300 48260 158.99 8256.3 17426 -9169.4 -9169.4 12.262 12.29 5.7342 1.1077e+05 2024-05-09 02:16:37,091 INFO [main.py:798]
{rank 0/64} MD step = 241400 step time: 00:00:00.391857 Performance: 36.192 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-09 02:16:44,843 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 241400 48280 161.54 8457.8 17705 -9247.4 -9247.4 12.269 12.295 5.7361 1.1083e+05 2024-05-09 02:17:23,266 INFO [main.py:798]
{rank 0/64} MD step = 241500 step time: 00:00:00.394711 Performance: 36.192 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-09 02:17:29,659 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 241500 48300 161.04 8574.3 17651 -9076.2 -9076.2 12.274 12.301 5.7379 1.1088e+05 2024-05-09 02:18:09,643 INFO [main.py:798]
{rank 0/64} MD step = 241600 step time: 00:00:00.380610 Performance: 36.193 ns/day 0.663 hours/ns 2.094 steps/s 2024-05-09 02:18:16,382 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 241600 48320 163.98 8895.8 17973 -9077 -9077 12.278 12.305 5.7393 1.1095e+05 2024-05-09 02:18:55,482 INFO [main.py:798]
{rank 0/64} MD step = 241700 step time: 00:00:00.372157 Performance: 36.193 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-09 02:19:02,740 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 241700 48340 160.15 8321.6 17553 -9231.3 -9231.3 12.283 12.31 5.7401 1.1095e+05 2024-05-09 02:19:40,822 INFO [main.py:798]
{rank 0/64} MD step = 241800 step time: 00:00:00.387690 Performance: 36.194 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-09 02:19:47,549 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 241800 48360 160.87 8302.1 17632 -9329.8 -9329.8 12.29 12.316 5.7427 1.1099e+05 2024-05-09 02:20:25,882 INFO [main.py:798]
{rank 0/64} MD step = 241900 step time: 00:00:00.396151 Performance: 36.195 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-09 02:20:33,325 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 241900 48380 159.19 8304.4 17448 -9143.2 -9143.2 12.296 12.32 5.7443 1.1103e+05 2024-05-09 02:21:12,761 INFO [main.py:798]
{rank 0/64} MD step = 242000 step time: 00:00:00.405077 Performance: 36.195 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-09 02:21:18,816 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242000 48400 161.68 8430.1 17720 -9290.4 -9290.4 12.302 12.325 5.7467 1.1108e+05 2024-05-09 02:21:57,712 INFO [main.py:798]
{rank 0/64} MD step = 242100 step time: 00:00:00.381244 Performance: 36.196 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-09 02:22:06,286 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242100 48420 159.75 8233.9 17509 -9275 -9275 12.305 12.332 5.749 1.1111e+05 2024-05-09 02:22:44,306 INFO [main.py:798]
{rank 0/64} MD step = 242200 step time: 00:00:00.381890 Performance: 36.197 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-09 02:22:50,587 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242200 48440 159.8 8285.9 17514 -9227.9 -9227.9 12.309 12.336 5.7514 1.1114e+05 2024-05-09 02:23:28,592 INFO [main.py:798]
{rank 0/64} MD step = 242300 step time: 00:00:00.415097 Performance: 36.198 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-09 02:23:36,979 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242300 48460 158.55 8223.8 17377 -9153.5 -9153.5 12.315 12.342 5.7534 1.112e+05 2024-05-09 02:24:15,605 INFO [main.py:798]
{rank 0/64} MD step = 242400 step time: 00:00:00.354314 Performance: 36.198 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-09 02:24:22,125 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242400 48480 157.92 8116.9 17309 -9191.7 -9191.7 12.32 12.348 5.7553 1.1124e+05 2024-05-09 02:25:01,081 INFO [main.py:798]
{rank 0/64} MD step = 242500 step time: 00:00:00.355766 Performance: 36.199 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-09 02:25:08,926 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242500 48500 159.8 8283 17514 -9231.4 -9231.4 12.326 12.352 5.7569 1.1126e+05 2024-05-09 02:25:48,311 INFO [main.py:798]
{rank 0/64} MD step = 242600 step time: 00:00:00.356545 Performance: 36.199 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-09 02:25:54,190 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242600 48520 159.61 8191.8 17493 -9301.2 -9301.2 12.33 12.356 5.7596 1.1131e+05 2024-05-09 02:26:32,874 INFO [main.py:798]
{rank 0/64} MD step = 242700 step time: 00:00:00.362476 Performance: 36.200 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-09 02:26:40,103 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242700 48540 161.42 8524.7 17692 -9167.4 -9167.4 12.336 12.363 5.7636 1.1136e+05 2024-05-09 02:27:19,497 INFO [main.py:798]
{rank 0/64} MD step = 242800 step time: 00:00:00.381577 Performance: 36.200 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-09 02:27:25,883 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242800 48560 160.18 8337.7 17556 -9218.1 -9218.1 12.342 12.369 5.7676 1.1143e+05 2024-05-09 02:28:04,627 INFO [main.py:798]
{rank 0/64} MD step = 242900 step time: 00:00:00.376388 Performance: 36.201 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-09 02:28:09,303 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 242900 48580 159.62 8279.9 17495 -9214.7 -9214.7 12.347 12.374 5.7707 1.1147e+05 2024-05-09 02:28:48,211 INFO [main.py:798]
{rank 0/64} MD step = 243000 step time: 00:00:00.364664 Performance: 36.202 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-09 02:28:55,523 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243000 48600 159.04 8154.8 17430 -9275.7 -9275.7 12.351 12.38 5.7727 1.1149e+05 2024-05-09 02:29:35,147 INFO [main.py:798]
{rank 0/64} MD step = 243100 step time: 00:00:00.347308 Performance: 36.202 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-09 02:30:00,187 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243100 48620 158.81 8135.2 17406 -9270.6 -9270.6 12.359 12.385 5.773 1.1155e+05 2024-05-09 02:30:38,634 INFO [main.py:798]
{rank 0/64} MD step = 243200 step time: 00:00:00.354425 Performance: 36.198 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-09 02:30:45,213 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243200 48640 159.23 8166.9 17451 -9284.4 -9284.4 12.362 12.39 5.7762 1.1158e+05 2024-05-09 02:31:24,730 INFO [main.py:798]
{rank 0/64} MD step = 243300 step time: 00:00:00.348105 Performance: 36.198 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-09 02:31:32,213 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243300 48660 160.39 8359.2 17579 -9220.3 -9220.3 12.368 12.395 5.7812 1.1165e+05 2024-05-09 02:32:10,404 INFO [main.py:798]
{rank 0/64} MD step = 243400 step time: 00:00:00.366917 Performance: 36.199 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-09 02:32:16,092 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243400 48680 159.29 8378.1 17458 -9080.2 -9080.2 12.374 12.402 5.7843 1.1169e+05 2024-05-09 02:32:54,699 INFO [main.py:798]
{rank 0/64} MD step = 243500 step time: 00:00:00.353925 Performance: 36.200 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-09 02:33:01,655 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243500 48700 158.35 8235.6 17355 -9119.3 -9119.3 12.381 12.404 5.7876 1.1173e+05 2024-05-09 02:33:40,413 INFO [main.py:798]
{rank 0/64} MD step = 243600 step time: 00:00:00.374357 Performance: 36.200 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-09 02:33:47,670 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243600 48720 159.83 8243 17517 -9274.3 -9274.3 12.387 12.409 5.7894 1.1178e+05 2024-05-09 02:34:26,468 INFO [main.py:798]
{rank 0/64} MD step = 243700 step time: 00:00:00.363537 Performance: 36.201 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-09 02:34:35,543 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243700 48740 159.99 8433.9 17535 -9100.7 -9100.7 12.393 12.414 5.7905 1.1182e+05 2024-05-09 02:35:14,247 INFO [main.py:798]
{rank 0/64} MD step = 243800 step time: 00:00:00.386674 Performance: 36.201 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-09 02:35:22,747 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243800 48760 161.01 8358 17647 -9289.1 -9289.1 12.397 12.419 5.7927 1.1186e+05 2024-05-09 02:36:01,544 INFO [main.py:798]
{rank 0/64} MD step = 243900 step time: 00:00:00.386379 Performance: 36.201 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-09 02:36:07,647 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 243900 48780 160.18 8324.4 17556 -9231.4 -9231.4 12.402 12.423 5.7946 1.1191e+05 2024-05-09 02:36:46,931 INFO [main.py:798]
{rank 0/64} MD step = 244000 step time: 00:00:00.410904 Performance: 36.202 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-09 02:36:53,149 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 244000 48800 162.29 8608.7 17787 -9178.6 -9178.6 12.411 12.429 5.799 1.1194e+05 2024-05-09 02:37:31,507 INFO [main.py:798]
{rank 0/64} MD step = 244100 step time: 00:00:00.349975 Performance: 36.203 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-09 02:37:37,922 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 244100 48820 161.29 8307.8 17677 -9369.3 -9369.3 12.414 12.436 5.8016 1.1195e+05 2024-05-09 02:38:17,308 INFO [main.py:798]
{rank 0/64} MD step = 244200 step time: 00:00:00.401925 Performance: 36.203 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-09 02:38:23,945 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 244200 48840 161.15 8338.1 17663 -9324.6 -9324.6 12.419 12.443 5.804 1.1203e+05 2024-05-09 02:39:04,089 INFO [main.py:798]
{rank 0/64} MD step = 244300 step time: 00:00:00.410793 Performance: 36.204 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-09 02:39:10,674 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 244300 48860 159.08 8221 17436 -9214.7 -9214.7 12.425 12.447 5.8072 1.1208e+05 2024-05-09 02:39:48,020 INFO [main.py:798]
{rank 0/64} MD step = 244400 step time: 00:00:00.366237 Performance: 36.205 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-09 02:39:53,910 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 244400 48880 161.48 8462.7 17699 -9235.9 -9235.9 12.431 12.453 5.8112 1.1212e+05 2024-05-09 02:40:33,460 INFO [main.py:798]
{rank 0/64} MD step = 244500 step time: 00:00:00.376446 Performance: 36.206 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-09 02:40:39,559 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 244500 48900 161.23 8440.5 17671 -9231 -9231 12.436 12.454 5.8138 1.122e+05 2024-05-09 02:41:18,362 INFO [main.py:798]
{rank 0/64} MD step = 244600 step time: 00:00:00.401637 Performance: 36.206 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-09 02:41:25,062 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 244600 48920 159.66 8338 17499 -9161 -9161 12.441 12.46 5.8156 1.1227e+05 2024-05-09 02:42:04,475 INFO [main.py:798]
{rank 0/64} MD step = 244700 step time: 00:00:00.379050 Performance: 36.207 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-09 02:42:10,714 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 244700 48940 159.16 8257.1 17444 -9187 -9187 12.445 12.464 5.8172 1.123e+05 2024-05-09 02:42:49,786 INFO [main.py:798]
{rank 0/64} MD step = 244800 step time: 00:00:00.387649 Performance: 36.208 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-09 02:42:56,751 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 244800 48960 159.31 8327.4 17461 -9133.1 -9133.1 12.449 12.467 5.8182 1.1237e+05 2024-05-09 02:43:33,148 INFO [main.py:798]
{rank 0/64} MD step = 244900 step time: 00:00:00.391297 Performance: 36.209 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-09 02:43:39,845 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 244900 48980 160.84 8487.5 17629 -9141.3 -9141.3 12.454 12.472 5.8191 1.1239e+05 2024-05-09 02:44:17,868 INFO [main.py:798]
{rank 0/64} MD step = 245000 step time: 00:00:00.403302 Performance: 36.210 ns/day 0.663 hours/ns 2.095 steps/s 2024-05-09 02:44:24,768 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 245000 49000 158.9 8288.8 17416 -9126.7 -9126.7 12.461 12.476 5.8223 1.1243e+05 2024-05-09 02:45:04,035 INFO [main.py:798]
{rank 0/64} MD step = 245100 step time: 00:00:00.384520 Performance: 36.210 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-09 02:45:10,623 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 245100 49020 159.42 8248.1 17473 -9224.7 -9224.7 12.465 12.482 5.8242 1.1249e+05 2024-05-09 02:45:49,378 INFO [main.py:798]
{rank 0/64} MD step = 245200 step time: 00:00:00.380311 Performance: 36.211 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-09 02:45:56,232 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 245200 49040 159.68 8297.2 17501 -9204.2 -9204.2 12.471 12.483 5.8246 1.1254e+05 2024-05-09 02:46:36,593 INFO [main.py:798]
{rank 0/64} MD step = 245300 step time: 00:00:00.424873 Performance: 36.211 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-09 02:46:42,331 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 245300 49060 163.41 8835.8 17910 -9073.8 -9073.8 12.477 12.487 5.8255 1.1261e+05 2024-05-09 02:47:21,989 INFO [main.py:798]
{rank 0/64} MD step = 245400 step time: 00:00:00.384046 Performance: 36.212 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-09 02:47:29,382 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 245400 49080 159.48 8392.9 17479 -9086.1 -9086.1 12.48 12.493 5.8287 1.1263e+05 2024-05-09 02:48:08,055 INFO [main.py:798]
{rank 0/64} MD step = 245500 step time: 00:00:00.394921 Performance: 36.213 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-09 02:48:14,146 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 245500 49100 159.81 8328.2 17516 -9187.6 -9187.6 12.485 12.498 5.8328 1.127e+05 2024-05-09 02:48:52,545 INFO [main.py:798]
{rank 0/64} MD step = 245600 step time: 00:00:00.401717 Performance: 36.214 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-09 02:48:59,926 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 245600 49120 158.71 8264.6 17395 -9130.3 -9130.3 12.49 12.503 5.8363 1.1273e+05 2024-05-09 02:49:39,001 INFO [main.py:798]
{rank 0/64} MD step = 245700 step time: 00:00:00.400592 Performance: 36.214 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-09 02:49:44,922 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 245700 49140 160.62 8374.8 17604 -9228.9 -9228.9 12.496 12.509 5.8384 1.1273e+05 2024-05-09 02:50:24,068 INFO [main.py:798]
{rank 0/64} MD step = 245800 step time: 00:00:00.393938 Performance: 36.215 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-09 02:50:30,973 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 245800 49160 159.07 8355.1 17434 -9079.1 -9079.1 12.503 12.513 5.8406 1.1279e+05 2024-05-09 02:51:09,821 INFO [main.py:798]
{rank 0/64} MD step = 245900 step time: 00:00:00.422848 Performance: 36.215 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-09 02:51:16,398 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 245900 49180 161.44 8479.4 17694 -9215 -9215 12.508 12.518 5.8445 1.1286e+05 2024-05-09 02:51:54,531 INFO [main.py:798]
{rank 0/64} MD step = 246000 step time: 00:00:00.422659 Performance: 36.216 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-09 02:52:01,252 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246000 49200 160.12 8327.2 17549 -9221.9 -9221.9 12.512 12.522 5.8471 1.129e+05 2024-05-09 02:52:39,259 INFO [main.py:798]
{rank 0/64} MD step = 246100 step time: 00:00:00.385620 Performance: 36.217 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-09 02:52:43,597 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246100 49220 159.9 8352.5 17525 -9172.4 -9172.4 12.516 12.53 5.849 1.1295e+05 2024-05-09 02:53:23,693 INFO [main.py:798]
{rank 0/64} MD step = 246200 step time: 00:00:00.383235 Performance: 36.218 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-09 02:53:29,135 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246200 49240 157.66 7996.1 17280 -9283.5 -9283.5 12.519 12.534 5.8511 1.1302e+05 2024-05-09 02:54:07,535 INFO [main.py:798]
{rank 0/64} MD step = 246300 step time: 00:00:00.404697 Performance: 36.219 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-09 02:54:13,522 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246300 49260 158.21 8057.1 17340 -9283.2 -9283.2 12.526 12.54 5.8527 1.1306e+05 2024-05-09 02:54:56,372 INFO [main.py:798]
{rank 0/64} MD step = 246400 step time: 00:00:00.374913 Performance: 36.219 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-09 02:55:03,234 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246400 49280 158.19 8085.1 17338 -9252.5 -9252.5 12.532 12.547 5.8537 1.1311e+05 2024-05-09 02:55:41,161 INFO [main.py:798]
{rank 0/64} MD step = 246500 step time: 00:00:00.385729 Performance: 36.220 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-09 02:55:47,389 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246500 49300 160.35 8317.1 17574 -9257 -9257 12.537 12.551 5.8543 1.1314e+05 2024-05-09 02:56:26,378 INFO [main.py:798]
{rank 0/64} MD step = 246600 step time: 00:00:00.358838 Performance: 36.221 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-09 02:56:34,405 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246600 49320 160.34 8411.8 17573 -9161.7 -9161.7 12.541 12.555 5.8557 1.1323e+05 2024-05-09 02:57:12,493 INFO [main.py:798]
{rank 0/64} MD step = 246700 step time: 00:00:00.415193 Performance: 36.221 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-09 02:57:18,941 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246700 49340 159.84 8267 17519 -9251.7 -9251.7 12.547 12.561 5.8566 1.1325e+05 2024-05-09 02:57:57,713 INFO [main.py:798]
{rank 0/64} MD step = 246800 step time: 00:00:00.397576 Performance: 36.222 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-09 02:58:09,453 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246800 49360 157.95 8101.1 17312 -9210.8 -9210.8 12.552 12.566 5.8586 1.1329e+05 2024-05-09 02:58:47,584 INFO [main.py:798]
{rank 0/64} MD step = 246900 step time: 00:00:00.401174 Performance: 36.221 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-09 02:58:56,652 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 246900 49380 160.82 8396.1 17626 -9230.2 -9230.2 12.556 12.571 5.8602 1.1332e+05 2024-05-09 02:59:36,933 INFO [main.py:798]
{rank 0/64} MD step = 247000 step time: 00:00:00.416734 Performance: 36.221 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-09 02:59:42,219 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247000 49400 159.67 8373.3 17500 -9126.3 -9126.3 12.562 12.578 5.8633 1.1341e+05 2024-05-09 03:00:22,164 INFO [main.py:798]
{rank 0/64} MD step = 247100 step time: 00:00:00.397606 Performance: 36.222 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-09 03:00:29,389 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247100 49420 159.72 8301.3 17506 -9204.2 -9204.2 12.568 12.585 5.8665 1.1345e+05 2024-05-09 03:01:07,114 INFO [main.py:798]
{rank 0/64} MD step = 247200 step time: 00:00:00.399300 Performance: 36.222 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-09 03:01:18,984 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247200 49440 160.93 8558 17638 -9080.5 -9080.5 12.572 12.59 5.8679 1.1348e+05 2024-05-09 03:01:57,053 INFO [main.py:798]
{rank 0/64} MD step = 247300 step time: 00:00:00.376243 Performance: 36.222 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-09 03:02:02,832 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247300 49460 157.18 8044.4 17227 -9183 -9183 12.578 12.597 5.8696 1.1354e+05 2024-05-09 03:02:42,378 INFO [main.py:798]
{rank 0/64} MD step = 247400 step time: 00:00:00.375630 Performance: 36.222 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-09 03:02:48,941 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247400 49480 160.57 8477.5 17599 -9121.4 -9121.4 12.584 12.602 5.8728 1.1358e+05 2024-05-09 03:03:27,384 INFO [main.py:798]
{rank 0/64} MD step = 247500 step time: 00:00:00.388136 Performance: 36.223 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-09 03:03:37,502 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247500 49500 160.11 8343.7 17548 -9204.4 -9204.4 12.589 12.608 5.8762 1.1363e+05 2024-05-09 03:04:17,136 INFO [main.py:798]
{rank 0/64} MD step = 247600 step time: 00:00:00.412377 Performance: 36.223 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-09 03:04:23,424 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247600 49520 162.14 8615.8 17771 -9155.5 -9155.5 12.594 12.614 5.8772 1.1366e+05 2024-05-09 03:05:03,312 INFO [main.py:798]
{rank 0/64} MD step = 247700 step time: 00:00:00.379279 Performance: 36.223 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-09 03:05:09,894 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247700 49540 160.68 8467.8 17611 -9143.2 -9143.2 12.6 12.616 5.8797 1.1371e+05 2024-05-09 03:05:48,492 INFO [main.py:798]
{rank 0/64} MD step = 247800 step time: 00:00:00.407985 Performance: 36.224 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-09 03:05:55,626 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247800 49560 160.01 8316.7 17537 -9220.8 -9220.8 12.608 12.623 5.8799 1.1373e+05 2024-05-09 03:06:36,424 INFO [main.py:798]
{rank 0/64} MD step = 247900 step time: 00:00:00.407743 Performance: 36.224 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-09 03:06:42,679 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 247900 49580 158.79 8131.7 17404 -9272.4 -9272.4 12.615 12.627 5.882 1.1375e+05 2024-05-09 03:07:20,826 INFO [main.py:798]
{rank 0/64} MD step = 248000 step time: 00:00:00.419575 Performance: 36.225 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-09 03:07:27,286 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248000 49600 160.3 8352 17570 -9217.6 -9217.6 12.621 12.631 5.8836 1.1381e+05 2024-05-09 03:08:04,935 INFO [main.py:798]
{rank 0/64} MD step = 248100 step time: 00:00:00.369250 Performance: 36.226 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-09 03:08:15,438 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248100 49620 161.21 8517.4 17669 -9151.3 -9151.3 12.626 12.634 5.8839 1.1388e+05 2024-05-09 03:08:55,480 INFO [main.py:798]
{rank 0/64} MD step = 248200 step time: 00:00:00.384832 Performance: 36.225 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-09 03:09:01,069 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248200 49640 157.97 8097 17314 -9216.6 -9216.6 12.633 12.638 5.8848 1.1393e+05 2024-05-09 03:09:39,616 INFO [main.py:798]
{rank 0/64} MD step = 248300 step time: 00:00:00.424004 Performance: 36.226 ns/day 0.663 hours/ns 2.096 steps/s 2024-05-09 03:09:46,009 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248300 49660 159.75 8206.1 17509 -9302.9 -9302.9 12.638 12.645 5.886 1.1397e+05 2024-05-09 03:10:24,277 INFO [main.py:798]
{rank 0/64} MD step = 248400 step time: 00:00:00.390296 Performance: 36.227 ns/day 0.662 hours/ns 2.096 steps/s 2024-05-09 03:10:32,261 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248400 49680 158.64 8023.2 17387 -9364.2 -9364.2 12.644 12.65 5.8888 1.1404e+05 2024-05-09 03:11:10,639 INFO [main.py:798]
{rank 0/64} MD step = 248500 step time: 00:00:00.384128 Performance: 36.228 ns/day 0.662 hours/ns 2.096 steps/s 2024-05-09 03:11:17,290 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248500 49700 161.39 8401 17689 -9287.7 -9287.7 12.65 12.656 5.8903 1.1408e+05 2024-05-09 03:11:56,702 INFO [main.py:798]
{rank 0/64} MD step = 248600 step time: 00:00:00.416001 Performance: 36.228 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-09 03:12:03,027 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248600 49720 161.58 8592.2 17709 -9116.7 -9116.7 12.655 12.66 5.8935 1.1414e+05 2024-05-09 03:12:42,292 INFO [main.py:798]
{rank 0/64} MD step = 248700 step time: 00:00:00.393477 Performance: 36.229 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-09 03:12:47,831 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248700 49740 158.96 8193.1 17422 -9229.1 -9229.1 12.661 12.664 5.8953 1.1419e+05 2024-05-09 03:13:24,498 INFO [main.py:798]
{rank 0/64} MD step = 248800 step time: 00:00:00.362177 Performance: 36.230 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-09 03:13:32,264 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248800 49760 159.58 8291.2 17490 -9198.8 -9198.8 12.667 12.669 5.8979 1.1424e+05 2024-05-09 03:14:11,746 INFO [main.py:798]
{rank 0/64} MD step = 248900 step time: 00:00:00.405173 Performance: 36.230 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-09 03:14:18,586 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 248900 49780 161.52 8467.3 17703 -9236 -9236 12.673 12.673 5.9004 1.1427e+05 2024-05-09 03:14:57,035 INFO [main.py:798]
{rank 0/64} MD step = 249000 step time: 00:00:00.421967 Performance: 36.231 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-09 03:15:03,325 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249000 49800 158.26 8011.8 17345 -9333.2 -9333.2 12.676 12.677 5.9031 1.143e+05 2024-05-09 03:15:45,538 INFO [main.py:798]
{rank 0/64} MD step = 249100 step time: 00:00:00.386723 Performance: 36.231 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-09 03:15:51,560 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249100 49820 160.56 8230.5 17598 -9367.2 -9367.2 12.682 12.682 5.905 1.1436e+05 2024-05-09 03:16:30,077 INFO [main.py:798]
{rank 0/64} MD step = 249200 step time: 00:00:00.395075 Performance: 36.232 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-09 03:16:36,831 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249200 49840 159.47 8230.8 17478 -9246.9 -9246.9 12.686 12.688 5.9064 1.1442e+05 2024-05-09 03:17:15,171 INFO [main.py:798]
{rank 0/64} MD step = 249300 step time: 00:00:00.375364 Performance: 36.233 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-09 03:17:23,946 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249300 49860 162.54 8637 17815 -9177.9 -9177.9 12.691 12.693 5.9082 1.1447e+05 2024-05-09 03:18:00,658 INFO [main.py:798]
{rank 0/64} MD step = 249400 step time: 00:00:00.405780 Performance: 36.233 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-09 03:18:08,128 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249400 49880 161.53 8577.3 17704 -9126.8 -9126.8 12.695 12.696 5.9102 1.1451e+05 2024-05-09 03:18:47,987 INFO [main.py:798]
{rank 0/64} MD step = 249500 step time: 00:00:00.417748 Performance: 36.233 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-09 03:18:54,109 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249500 49900 162.46 8698.2 17806 -9107.7 -9107.7 12.701 12.703 5.9115 1.1457e+05 2024-05-09 03:19:32,315 INFO [main.py:798]
{rank 0/64} MD step = 249600 step time: 00:00:00.394623 Performance: 36.235 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-09 03:19:38,684 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249600 49920 159.39 8249.5 17469 -9219.4 -9219.4 12.707 12.709 5.9146 1.1462e+05 2024-05-09 03:20:17,830 INFO [main.py:798]
{rank 0/64} MD step = 249700 step time: 00:00:00.382495 Performance: 36.235 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-09 03:20:24,672 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249700 49940 158.08 8082.6 17325 -9242.8 -9242.8 12.714 12.717 5.916 1.1462e+05 2024-05-09 03:21:03,922 INFO [main.py:798]
{rank 0/64} MD step = 249800 step time: 00:00:00.416897 Performance: 36.236 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-09 03:21:10,022 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249800 49960 161.37 8430.7 17686 -9255.8 -9255.8 12.72 12.722 5.9182 1.147e+05 2024-05-09 03:21:47,668 INFO [main.py:798]
{rank 0/64} MD step = 249900 step time: 00:00:00.364268 Performance: 36.237 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-09 03:21:54,551 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 249900 49980 159.32 8248 17462 -9213.8 -9213.8 12.724 12.725 5.9215 1.1474e+05 2024-05-09 03:22:32,949 INFO [main.py:798]
{rank 0/64} MD step = 250000 step time: 00:00:00.397556 Performance: 36.238 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-09 03:22:38,697 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 250000 50000 160.09 8325.1 17546 -9220.6 -9220.6 12.729 12.731 5.9228 1.1479e+05 2024-05-09 03:23:17,667 INFO [main.py:798]
{rank 0/64} MD step = 250100 step time: 00:00:00.403594 Performance: 36.238 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-09 03:23:25,008 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 250100 50020 162.21 8603.8 17779 -9174.9 -9174.9 12.734 12.736 5.926 1.1483e+05 2024-05-09 03:24:05,080 INFO [main.py:798]
{rank 0/64} MD step = 250200 step time: 00:00:00.423904 Performance: 36.239 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-09 03:24:11,383 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 250200 50040 159.47 8323.9 17478 -9153.9 -9153.9 12.738 12.74 5.9267 1.1488e+05 2024-05-09 03:24:50,932 INFO [main.py:798]
{rank 0/64} MD step = 250300 step time: 00:00:00.396829 Performance: 36.239 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-09 03:24:57,218 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 250300 50060 158.93 8253.3 17419 -9166 -9166 12.742 12.744 5.9285 1.1493e+05 2024-05-09 03:25:36,217 INFO [main.py:798]
{rank 0/64} MD step = 250400 step time: 00:00:00.384728 Performance: 36.240 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-09 03:25:40,152 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 250400 50080 161.72 8634.7 17725 -9090.6 -9090.6 12.749 12.749 5.9305 1.1498e+05 2024-05-09 03:26:19,081 INFO [main.py:798]
{rank 0/64} MD step = 250500 step time: 00:00:00.380463 Performance: 36.241 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-09 03:26:25,217 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 250500 50100 160.02 8253.3 17538 -9285.1 -9285.1 12.756 12.755 5.9331 1.1505e+05 2024-05-09 03:27:04,293 INFO [main.py:798]
{rank 0/64} MD step = 250600 step time: 00:00:00.387582 Performance: 36.242 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-09 03:27:11,273 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 250600 50120 160.01 8373.6 17537 -9163.7 -9163.7 12.76 12.76 5.9369 1.1509e+05 2024-05-09 03:27:50,831 INFO [main.py:798]
{rank 0/64} MD step = 250700 step time: 00:00:00.412880 Performance: 36.242 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-09 03:27:58,132 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 250700 50140 160.25 8400.5 17564 -9163.5 -9163.5 12.767 12.765 5.9395 1.1515e+05 2024-05-09 03:28:36,809 INFO [main.py:798]
{rank 0/64} MD step = 250800 step time: 00:00:00.425561 Performance: 36.243 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-09 03:28:46,087 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 250800 50160 159.58 8215 17491 -9275.6 -9275.6 12.772 12.769 5.9399 1.1518e+05 2024-05-09 03:29:26,518 INFO [main.py:798]
{rank 0/64} MD step = 250900 step time: 00:00:00.430905 Performance: 36.242 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-09 03:29:33,214 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 250900 50180 160.34 8247.2 17573 -9326 -9326 12.777 12.775 5.9427 1.1523e+05 2024-05-09 03:30:10,412 INFO [main.py:798]
{rank 0/64} MD step = 251000 step time: 00:00:00.387823 Performance: 36.243 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-09 03:30:17,891 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 251000 50200 161.19 8385.6 17666 -9280.6 -9280.6 12.781 12.779 5.9432 1.1528e+05 2024-05-09 03:30:58,187 INFO [main.py:798]
{rank 0/64} MD step = 251100 step time: 00:00:00.376350 Performance: 36.243 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-09 03:31:03,822 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 251100 50220 156.76 8016.4 17182 -9165.1 -9165.1 12.787 12.786 5.9462 1.1533e+05 2024-05-09 03:31:43,119 INFO [main.py:798]
{rank 0/64} MD step = 251200 step time: 00:00:00.370259 Performance: 36.244 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-09 03:31:49,133 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 251200 50240 160.84 8431 17628 -9197 -9197 12.794 12.789 5.9458 1.1538e+05 2024-05-09 03:32:29,307 INFO [main.py:798]
{rank 0/64} MD step = 251300 step time: 00:00:00.396869 Performance: 36.245 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-09 03:32:35,368 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 251300 50260 160.16 8340.9 17553 -9212.6 -9212.6 12.8 12.793 5.9481 1.154e+05 2024-05-09 03:33:15,696 INFO [main.py:798]
{rank 0/64} MD step = 251400 step time: 00:00:00.396424 Performance: 36.245 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 03:33:22,429 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 251400 50280 158.26 8085.1 17346 -9260.7 -9260.7 12.807 12.798 5.9507 1.1542e+05 2024-05-09 03:34:01,910 INFO [main.py:798]
{rank 0/64} MD step = 251500 step time: 00:00:00.385229 Performance: 36.246 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 03:34:11,254 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 251500 50300 161.95 8551.7 17750 -9198 -9198 12.812 12.804 5.9529 1.155e+05 2024-05-09 03:34:50,929 INFO [main.py:798]
{rank 0/64} MD step = 251600 step time: 00:00:00.412363 Performance: 36.245 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 03:34:57,961 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 251600 50320 158.93 8235.2 17419 -9183.8 -9183.8 12.819 12.809 5.9558 1.1554e+05 2024-05-09 03:35:37,903 INFO [main.py:798]
{rank 0/64} MD step = 251700 step time: 00:00:00.404655 Performance: 36.245 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 03:35:43,748 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 251700 50340 159.95 8391.7 17531 -9139.1 -9139.1 12.825 12.814 5.9588 1.1559e+05 2024-05-09 03:36:22,210 INFO [main.py:798]
{rank 0/64} MD step = 251800 step time: 00:00:00.425277 Performance: 36.246 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 03:36:29,873 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 251800 50360 158.88 8210.5 17413 -9202.9 -9202.9 12.831 12.821 5.9608 1.156e+05 2024-05-09 03:37:08,871 INFO [main.py:798]
{rank 0/64} MD step = 251900 step time: 00:00:00.408065 Performance: 36.247 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 03:37:15,516 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 251900 50380 163.07 8646.2 17872 -9226 -9226 12.836 12.824 5.9632 1.1567e+05 2024-05-09 03:37:54,422 INFO [main.py:798]
{rank 0/64} MD step = 252000 step time: 00:00:00.393366 Performance: 36.247 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 03:37:59,899 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 252000 50400 160.41 8439 17582 -9142.6 -9142.6 12.843 12.828 5.9646 1.1571e+05 2024-05-09 03:38:38,854 INFO [main.py:798]
{rank 0/64} MD step = 252100 step time: 00:00:00.382431 Performance: 36.248 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 03:38:57,741 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 252100 50420 161.33 8552.1 17682 -9130.4 -9130.4 12.848 12.835 5.9689 1.1573e+05 2024-05-09 03:39:37,270 INFO [main.py:798]
{rank 0/64} MD step = 252200 step time: 00:00:00.412219 Performance: 36.245 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 03:39:43,091 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 252200 50440 158.07 8178.6 17324 -9145.7 -9145.7 12.853 12.842 5.972 1.1577e+05 2024-05-09 03:40:20,688 INFO [main.py:798]
{rank 0/64} MD step = 252300 step time: 00:00:00.389893 Performance: 36.246 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 03:40:26,759 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 252300 50460 158.12 8143.6 17330 -9186.4 -9186.4 12.857 12.847 5.9753 1.1582e+05 2024-05-09 03:41:07,764 INFO [main.py:798]
{rank 0/64} MD step = 252400 step time: 00:00:00.378820 Performance: 36.247 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 03:41:13,009 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 252400 50480 159.99 8374.5 17535 -9160.8 -9160.8 12.862 12.852 5.976 1.1585e+05 2024-05-09 03:41:53,708 INFO [main.py:798]
{rank 0/64} MD step = 252500 step time: 00:00:00.428802 Performance: 36.247 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 03:42:01,141 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 252500 50500 160.09 8388 17546 -9157.6 -9157.6 12.867 12.857 5.9761 1.1593e+05 2024-05-09 03:42:39,638 INFO [main.py:798]
{rank 0/64} MD step = 252600 step time: 00:00:00.393255 Performance: 36.248 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 03:42:45,242 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 252600 50520 161.22 8615.4 17670 -9054.9 -9054.9 12.873 12.862 5.9797 1.1599e+05 2024-05-09 03:43:24,286 INFO [main.py:798]
{rank 0/64} MD step = 252700 step time: 00:00:00.399074 Performance: 36.248 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 03:43:30,382 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 252700 50540 160.14 8344.9 17552 -9206.8 -9206.8 12.877 12.866 5.9818 1.1601e+05 2024-05-09 03:44:09,772 INFO [main.py:798]
{rank 0/64} MD step = 252800 step time: 00:00:00.407952 Performance: 36.249 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 03:44:19,830 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 252800 50560 161.86 8653.6 17740 -9086.1 -9086.1 12.881 12.872 5.9841 1.1607e+05 2024-05-09 03:44:57,535 INFO [main.py:798]
{rank 0/64} MD step = 252900 step time: 00:00:00.396508 Performance: 36.249 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 03:45:05,428 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 252900 50580 160.31 8351 17570 -9219.4 -9219.4 12.888 12.878 5.9856 1.1607e+05 2024-05-09 03:45:47,397 INFO [main.py:798]
{rank 0/64} MD step = 253000 step time: 00:00:00.396511 Performance: 36.248 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 03:45:55,158 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 253000 50600 158.9 8134.9 17416 -9280.8 -9280.8 12.894 12.884 5.9889 1.1613e+05 2024-05-09 03:46:34,842 INFO [main.py:798]
{rank 0/64} MD step = 253100 step time: 00:00:00.402795 Performance: 36.249 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 03:46:48,612 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 253100 50620 158.9 8232.1 17416 -9184 -9184 12.901 12.89 5.9913 1.1616e+05 2024-05-09 03:47:26,890 INFO [main.py:798]
{rank 0/64} MD step = 253200 step time: 00:00:00.405805 Performance: 36.247 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 03:47:50,682 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 253200 50640 158.87 8133.2 17413 -9279.3 -9279.3 12.906 12.893 5.9937 1.162e+05 2024-05-09 03:48:31,284 INFO [main.py:798]
{rank 0/64} MD step = 253300 step time: 00:00:00.396677 Performance: 36.242 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-09 03:48:38,649 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 253300 50660 160.13 8321 17550 -9229.2 -9229.2 12.91 12.898 5.9956 1.1625e+05 2024-05-09 03:49:15,677 INFO [main.py:798]
{rank 0/64} MD step = 253400 step time: 00:00:00.360257 Performance: 36.243 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-09 03:49:22,176 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 253400 50680 158.92 8141.4 17418 -9276.9 -9276.9 12.914 12.903 5.9981 1.1627e+05 2024-05-09 03:50:01,864 INFO [main.py:798]
{rank 0/64} MD step = 253500 step time: 00:00:00.381540 Performance: 36.244 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-09 03:50:09,036 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 253500 50700 160.72 8390.7 17615 -9223.9 -9223.9 12.921 12.908 5.9995 1.1632e+05 2024-05-09 03:50:51,038 INFO [main.py:798]
{rank 0/64} MD step = 253600 step time: 00:00:00.396117 Performance: 36.243 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-09 03:50:57,823 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 253600 50720 158.73 8305.1 17397 -9091.7 -9091.7 12.926 12.914 6.0016 1.1639e+05 2024-05-09 03:51:37,594 INFO [main.py:798]
{rank 0/64} MD step = 253700 step time: 00:00:00.401080 Performance: 36.243 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-09 03:51:43,884 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 253700 50740 160.46 8401.1 17586 -9185.3 -9185.3 12.93 12.918 6.0048 1.1646e+05 2024-05-09 03:52:23,507 INFO [main.py:798]
{rank 0/64} MD step = 253800 step time: 00:00:00.401955 Performance: 36.244 ns/day 0.662 hours/ns 2.097 steps/s 2024-05-09 03:52:30,749 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 253800 50760 161.77 8549.9 17730 -9180.2 -9180.2 12.936 12.924 6.0082 1.1649e+05 2024-05-09 03:53:07,789 INFO [main.py:798]
{rank 0/64} MD step = 253900 step time: 00:00:00.364111 Performance: 36.245 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 03:53:14,029 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 253900 50780 158.72 8164.8 17396 -9231.4 -9231.4 12.942 12.931 6.0117 1.1657e+05 2024-05-09 03:53:53,880 INFO [main.py:798]
{rank 0/64} MD step = 254000 step time: 00:00:00.367515 Performance: 36.246 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 03:54:00,114 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254000 50800 159.65 8304 17498 -9193.9 -9193.9 12.948 12.936 6.0141 1.1657e+05 2024-05-09 03:54:42,969 INFO [main.py:798]
{rank 0/64} MD step = 254100 step time: 00:00:00.346686 Performance: 36.245 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 03:54:49,105 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254100 50820 160.97 8394.2 17643 -9248.3 -9248.3 12.954 12.942 6.0181 1.1661e+05 2024-05-09 03:55:28,684 INFO [main.py:798]
{rank 0/64} MD step = 254200 step time: 00:00:00.350379 Performance: 36.246 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 03:55:36,653 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254200 50840 158.42 8150.3 17363 -9212.3 -9212.3 12.959 12.947 6.0206 1.1667e+05 2024-05-09 03:56:16,470 INFO [main.py:798]
{rank 0/64} MD step = 254300 step time: 00:00:00.396469 Performance: 36.246 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 03:56:24,560 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254300 50860 160.57 8489.8 17598 -9108.4 -9108.4 12.963 12.953 6.0236 1.1671e+05 2024-05-09 03:57:04,200 INFO [main.py:798]
{rank 0/64} MD step = 254400 step time: 00:00:00.367702 Performance: 36.246 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 03:57:10,240 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254400 50880 159.68 8271.6 17501 -9229.2 -9229.2 12.97 12.958 6.0252 1.1674e+05 2024-05-09 03:57:48,301 INFO [main.py:798]
{rank 0/64} MD step = 254500 step time: 00:00:00.388444 Performance: 36.247 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 03:57:53,613 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254500 50900 158.41 8144.5 17362 -9217.6 -9217.6 12.977 12.962 6.0291 1.168e+05 2024-05-09 03:58:34,890 INFO [main.py:798]
{rank 0/64} MD step = 254600 step time: 00:00:00.377843 Performance: 36.247 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 03:58:40,231 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254600 50920 159.52 8304 17484 -9179.9 -9179.9 12.983 12.966 6.0305 1.1682e+05 2024-05-09 03:59:20,208 INFO [main.py:798]
{rank 0/64} MD step = 254700 step time: 00:00:00.383994 Performance: 36.248 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 03:59:27,343 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254700 50940 160.25 8331.8 17564 -9231.9 -9231.9 12.989 12.973 6.0337 1.1688e+05 2024-05-09 04:00:06,765 INFO [main.py:798]
{rank 0/64} MD step = 254800 step time: 00:00:00.408959 Performance: 36.248 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:00:15,148 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254800 50960 159.73 8327.6 17507 -9179.2 -9179.2 12.995 12.979 6.0371 1.1693e+05 2024-05-09 04:00:54,662 INFO [main.py:798]
{rank 0/64} MD step = 254900 step time: 00:00:00.382487 Performance: 36.248 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:01:01,048 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 254900 50980 160 8491.8 17537 -9045 -9045 13 12.985 6.0384 1.1695e+05 2024-05-09 04:01:40,915 INFO [main.py:798]
{rank 0/64} MD step = 255000 step time: 00:00:00.361208 Performance: 36.248 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:01:47,160 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 255000 51000 158.63 8258.2 17386 -9127.9 -9127.9 13.006 12.992 6.0409 1.1702e+05 2024-05-09 04:02:27,147 INFO [main.py:798]
{rank 0/64} MD step = 255100 step time: 00:00:00.362740 Performance: 36.249 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:02:33,791 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 255100 51020 160.79 8439.3 17623 -9184.1 -9184.1 13.009 12.995 6.0427 1.1708e+05 2024-05-09 04:03:15,081 INFO [main.py:798]
{rank 0/64} MD step = 255200 step time: 00:00:00.356529 Performance: 36.249 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:03:22,954 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 255200 51040 160.65 8422.5 17608 -9185.3 -9185.3 13.013 13.001 6.0448 1.1713e+05 2024-05-09 04:04:01,179 INFO [main.py:798]
{rank 0/64} MD step = 255300 step time: 00:00:00.369656 Performance: 36.249 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:04:08,424 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 255300 51060 158.84 8237.4 17409 -9172.1 -9172.1 13.019 13.005 6.0475 1.1716e+05 2024-05-09 04:04:47,915 INFO [main.py:798]
{rank 0/64} MD step = 255400 step time: 00:00:00.393730 Performance: 36.250 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:04:54,824 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 255400 51080 162.01 8571.5 17757 -9185.1 -9185.1 13.025 13.009 6.0516 1.1723e+05 2024-05-09 04:05:33,799 INFO [main.py:798]
{rank 0/64} MD step = 255500 step time: 00:00:00.372146 Performance: 36.250 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:05:39,276 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 255500 51100 163.48 8668.2 17918 -9249.9 -9249.9 13.028 13.013 6.0527 1.1726e+05 2024-05-09 04:06:17,972 INFO [main.py:798]
{rank 0/64} MD step = 255600 step time: 00:00:00.361786 Performance: 36.251 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:06:24,033 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 255600 51120 161.79 8577 17732 -9155.5 -9155.5 13.033 13.017 6.0545 1.1732e+05 2024-05-09 04:07:04,171 INFO [main.py:798]
{rank 0/64} MD step = 255700 step time: 00:00:00.394349 Performance: 36.252 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:07:11,145 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 255700 51140 160.32 8389.6 17571 -9181.8 -9181.8 13.039 13.024 6.0586 1.1736e+05 2024-05-09 04:07:49,427 INFO [main.py:798]
{rank 0/64} MD step = 255800 step time: 00:00:00.357599 Performance: 36.252 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:07:54,741 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 255800 51160 159.56 8245.7 17488 -9242.7 -9242.7 13.043 13.03 6.0621 1.1741e+05 2024-05-09 04:08:33,880 INFO [main.py:798]
{rank 0/64} MD step = 255900 step time: 00:00:00.386283 Performance: 36.253 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:08:40,434 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 255900 51180 161.22 8512.7 17670 -9156.8 -9156.8 13.047 13.036 6.064 1.1744e+05 2024-05-09 04:09:19,358 INFO [main.py:798]
{rank 0/64} MD step = 256000 step time: 00:00:00.374633 Performance: 36.254 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:09:25,945 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256000 51200 159.79 8282.3 17513 -9231 -9231 13.054 13.04 6.0639 1.1751e+05 2024-05-09 04:10:04,972 INFO [main.py:798]
{rank 0/64} MD step = 256100 step time: 00:00:00.384885 Performance: 36.254 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:10:12,352 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256100 51220 160.37 8382.3 17577 -9194.8 -9194.8 13.059 13.045 6.0664 1.1755e+05 2024-05-09 04:10:51,180 INFO [main.py:798]
{rank 0/64} MD step = 256200 step time: 00:00:00.384024 Performance: 36.255 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:10:56,900 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256200 51240 161.89 8559.3 17743 -9183.7 -9183.7 13.065 13.051 6.0692 1.176e+05 2024-05-09 04:11:35,350 INFO [main.py:798]
{rank 0/64} MD step = 256300 step time: 00:00:00.359558 Performance: 36.256 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:11:40,971 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256300 51260 160.69 8364.6 17612 -9247.5 -9247.5 13.07 13.056 6.0726 1.1763e+05 2024-05-09 04:12:20,285 INFO [main.py:798]
{rank 0/64} MD step = 256400 step time: 00:00:00.422087 Performance: 36.257 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:12:27,498 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256400 51280 161.21 8433.5 17669 -9235.6 -9235.6 13.078 13.061 6.0753 1.1766e+05 2024-05-09 04:13:07,865 INFO [main.py:798]
{rank 0/64} MD step = 256500 step time: 00:00:00.385711 Performance: 36.257 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:13:14,738 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256500 51300 159.18 8268.3 17446 -9177.6 -9177.6 13.084 13.067 6.0761 1.1774e+05 2024-05-09 04:13:54,178 INFO [main.py:798]
{rank 0/64} MD step = 256600 step time: 00:00:00.423042 Performance: 36.257 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:14:01,269 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256600 51320 160.66 8393.5 17609 -9215.3 -9215.3 13.09 13.072 6.0779 1.1779e+05 2024-05-09 04:14:42,122 INFO [main.py:798]
{rank 0/64} MD step = 256700 step time: 00:00:00.391776 Performance: 36.257 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:14:48,317 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256700 51340 159.06 8317.5 17433 -9115.3 -9115.3 13.096 13.078 6.0825 1.1782e+05 2024-05-09 04:15:27,757 INFO [main.py:798]
{rank 0/64} MD step = 256800 step time: 00:00:00.367285 Performance: 36.258 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:15:34,111 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256800 51360 161.51 8477.1 17702 -9225.1 -9225.1 13.1 13.085 6.0838 1.1787e+05 2024-05-09 04:16:12,797 INFO [main.py:798]
{rank 0/64} MD step = 256900 step time: 00:00:00.380446 Performance: 36.258 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:16:18,655 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 256900 51380 158.42 8130.9 17363 -9232.5 -9232.5 13.104 13.089 6.0869 1.179e+05 2024-05-09 04:16:58,038 INFO [main.py:798]
{rank 0/64} MD step = 257000 step time: 00:00:00.398065 Performance: 36.259 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:17:06,534 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257000 51400 158.97 8197.1 17423 -9226.2 -9226.2 13.109 13.095 6.0902 1.1795e+05 2024-05-09 04:17:48,671 INFO [main.py:798]
{rank 0/64} MD step = 257100 step time: 00:00:00.395134 Performance: 36.258 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:17:54,170 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257100 51420 160.66 8407.7 17608 -9200.6 -9200.6 13.114 13.1 6.0929 1.1802e+05 2024-05-09 04:18:34,618 INFO [main.py:798]
{rank 0/64} MD step = 257200 step time: 00:00:00.385482 Performance: 36.259 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:18:40,211 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257200 51440 157.98 8151.4 17315 -9163.8 -9163.8 13.121 13.106 6.0963 1.1805e+05 2024-05-09 04:19:22,246 INFO [main.py:798]
{rank 0/64} MD step = 257300 step time: 00:00:00.341477 Performance: 36.259 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:19:28,011 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257300 51460 159.8 8392.7 17514 -9121.6 -9121.6 13.126 13.111 6.0969 1.1809e+05 2024-05-09 04:20:07,597 INFO [main.py:798]
{rank 0/64} MD step = 257400 step time: 00:00:00.356862 Performance: 36.259 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:20:12,985 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257400 51480 160.52 8474.9 17594 -9118.8 -9118.8 13.132 13.115 6.0997 1.1816e+05 2024-05-09 04:20:52,713 INFO [main.py:798]
{rank 0/64} MD step = 257500 step time: 00:00:00.390921 Performance: 36.260 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:21:07,714 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257500 51500 160.43 8406.4 17584 -9177.3 -9177.3 13.137 13.119 6.1006 1.182e+05 2024-05-09 04:21:45,767 INFO [main.py:798]
{rank 0/64} MD step = 257600 step time: 00:00:00.404657 Performance: 36.259 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:21:50,971 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257600 51520 158.78 8269.3 17402 -9132.9 -9132.9 13.141 13.125 6.1024 1.1824e+05 2024-05-09 04:22:29,976 INFO [main.py:798]
{rank 0/64} MD step = 257700 step time: 00:00:00.397609 Performance: 36.260 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:22:36,797 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257700 51540 159.65 8226.7 17497 -9270.8 -9270.8 13.146 13.131 6.1048 1.1829e+05 2024-05-09 04:23:15,776 INFO [main.py:798]
{rank 0/64} MD step = 257800 step time: 00:00:00.376931 Performance: 36.260 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:23:22,517 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257800 51560 157.65 8083.3 17279 -9195.3 -9195.3 13.151 13.137 6.1072 1.1833e+05 2024-05-09 04:24:04,227 INFO [main.py:798]
{rank 0/64} MD step = 257900 step time: 00:00:00.407085 Performance: 36.260 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:24:11,576 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 257900 51580 159.57 8271.1 17489 -9218.4 -9218.4 13.157 13.139 6.1087 1.1838e+05 2024-05-09 04:24:51,191 INFO [main.py:798]
{rank 0/64} MD step = 258000 step time: 00:00:00.406465 Performance: 36.260 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:24:57,247 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 258000 51600 161.71 8490.9 17724 -9232.8 -9232.8 13.161 13.143 6.1107 1.1842e+05 2024-05-09 04:25:37,014 INFO [main.py:798]
{rank 0/64} MD step = 258100 step time: 00:00:00.412308 Performance: 36.261 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:25:43,410 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 258100 51620 160.74 8290.8 17617 -9326.4 -9326.4 13.167 13.147 6.1131 1.1846e+05 2024-05-09 04:26:22,088 INFO [main.py:798]
{rank 0/64} MD step = 258200 step time: 00:00:00.397010 Performance: 36.261 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:26:28,232 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 258200 51640 160.72 8392.1 17615 -9222.8 -9222.8 13.171 13.151 6.1152 1.1853e+05 2024-05-09 04:27:06,640 INFO [main.py:798]
{rank 0/64} MD step = 258300 step time: 00:00:00.404063 Performance: 36.262 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:27:13,700 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 258300 51660 160.76 8429 17620 -9191 -9191 13.177 13.156 6.1176 1.1855e+05 2024-05-09 04:27:52,858 INFO [main.py:798]
{rank 0/64} MD step = 258400 step time: 00:00:00.393132 Performance: 36.263 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:28:00,171 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 258400 51680 158.37 8239.1 17357 -9118.4 -9118.4 13.18 13.161 6.1211 1.1859e+05 2024-05-09 04:28:37,651 INFO [main.py:798]
{rank 0/64} MD step = 258500 step time: 00:00:00.377525 Performance: 36.264 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:28:52,082 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 258500 51700 161.22 8441.9 17670 -9227.6 -9227.6 13.186 13.168 6.1229 1.1864e+05 2024-05-09 04:29:31,420 INFO [main.py:798]
{rank 0/64} MD step = 258600 step time: 00:00:00.383790 Performance: 36.262 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:29:38,559 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 258600 51720 161.85 8442.9 17738 -9295.6 -9295.6 13.191 13.173 6.1255 1.1865e+05 2024-05-09 04:30:21,027 INFO [main.py:798]
{rank 0/64} MD step = 258700 step time: 00:00:00.387515 Performance: 36.261 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:30:32,762 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 258700 51740 160.66 8331.1 17608 -9277.1 -9277.1 13.197 13.178 6.1283 1.1873e+05 2024-05-09 04:31:10,764 INFO [main.py:798]
{rank 0/64} MD step = 258800 step time: 00:00:00.372344 Performance: 36.261 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:31:16,711 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 258800 51760 157.52 8102.9 17264 -9161 -9161 13.2 13.186 6.1292 1.1881e+05 2024-05-09 04:31:55,874 INFO [main.py:798]
{rank 0/64} MD step = 258900 step time: 00:00:00.376867 Performance: 36.261 ns/day 0.662 hours/ns 2.098 steps/s 2024-05-09 04:32:02,722 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 258900 51780 157.87 8123.7 17303 -9179.3 -9179.3 13.206 13.191 6.1296 1.1887e+05 2024-05-09 04:32:40,831 INFO [main.py:798]
{rank 0/64} MD step = 259000 step time: 00:00:00.404668 Performance: 36.262 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:32:47,916 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 259000 51800 159.25 8279.7 17454 -9174.5 -9174.5 13.212 13.196 6.1315 1.1893e+05 2024-05-09 04:33:26,807 INFO [main.py:798]
{rank 0/64} MD step = 259100 step time: 00:00:00.401791 Performance: 36.263 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:33:32,706 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 259100 51820 160.31 8367.4 17570 -9202.3 -9202.3 13.218 13.2 6.1336 1.1895e+05 2024-05-09 04:34:11,309 INFO [main.py:798]
{rank 0/64} MD step = 259200 step time: 00:00:00.438701 Performance: 36.264 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:34:17,091 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 259200 51840 157.95 8102.5 17312 -9209.5 -9209.5 13.225 13.205 6.134 1.1898e+05 2024-05-09 04:34:56,157 INFO [main.py:798]
{rank 0/64} MD step = 259300 step time: 00:00:00.434788 Performance: 36.264 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:35:02,777 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 259300 51860 158.99 8216.1 17426 -9209.6 -9209.6 13.23 13.211 6.1372 1.1905e+05 2024-05-09 04:35:42,856 INFO [main.py:798]
{rank 0/64} MD step = 259400 step time: 00:00:00.420538 Performance: 36.265 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:35:50,339 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 259400 51880 162.52 8528.2 17812 -9284.1 -9284.1 13.234 13.215 6.1399 1.191e+05 2024-05-09 04:36:29,648 INFO [main.py:798]
{rank 0/64} MD step = 259500 step time: 00:00:00.397345 Performance: 36.265 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:36:39,080 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 259500 51900 160.3 8236.1 17569 -9333.4 -9333.4 13.24 13.221 6.1436 1.1913e+05 2024-05-09 04:37:15,808 INFO [main.py:798]
{rank 0/64} MD step = 259600 step time: 00:00:00.368966 Performance: 36.265 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:37:27,033 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 259600 51920 160.75 8419.3 17618 -9198.7 -9198.7 13.245 13.225 6.146 1.1916e+05 2024-05-09 04:38:09,298 INFO [main.py:798]
{rank 0/64} MD step = 259700 step time: 00:00:00.383425 Performance: 36.264 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:38:17,830 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 259700 51940 159.65 8264.1 17498 -9233.6 -9233.6 13.252 13.23 6.1468 1.1919e+05 2024-05-09 04:38:56,821 INFO [main.py:798]
{rank 0/64} MD step = 259800 step time: 00:00:00.412205 Performance: 36.264 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:39:01,618 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 259800 51960 160.2 8468.2 17558 -9090.1 -9090.1 13.259 13.238 6.1486 1.1927e+05 2024-05-09 04:39:43,355 INFO [main.py:798]
{rank 0/64} MD step = 259900 step time: 00:00:00.387476 Performance: 36.264 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:39:49,547 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 259900 51980 159.59 8380 17491 -9111.4 -9111.4 13.264 13.241 6.1499 1.1932e+05 2024-05-09 04:40:29,790 INFO [main.py:798]
{rank 0/64} MD step = 260000 step time: 00:00:00.398282 Performance: 36.264 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:40:34,433 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 260000 52000 160.91 8391.7 17636 -9244.5 -9244.5 13.27 13.248 6.1531 1.1937e+05 2024-05-09 04:41:13,985 INFO [main.py:798]
{rank 0/64} MD step = 260100 step time: 00:00:00.395932 Performance: 36.265 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:41:20,458 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 260100 52020 160.14 8383.5 17552 -9168.3 -9168.3 13.276 13.252 6.1554 1.1944e+05 2024-05-09 04:41:58,213 INFO [main.py:798]
{rank 0/64} MD step = 260200 step time: 00:00:00.382449 Performance: 36.266 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:42:05,468 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 260200 52040 158.49 8280 17370 -9090.3 -9090.3 13.282 13.259 6.1602 1.1948e+05 2024-05-09 04:42:43,948 INFO [main.py:798]
{rank 0/64} MD step = 260300 step time: 00:00:00.398332 Performance: 36.267 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:42:50,235 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 260300 52060 161.3 8426.5 17678 -9251.8 -9251.8 13.288 13.262 6.1604 1.1951e+05 2024-05-09 04:43:28,766 INFO [main.py:798]
{rank 0/64} MD step = 260400 step time: 00:00:00.409761 Performance: 36.268 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:43:35,406 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 260400 52080 160.07 8316.4 17544 -9227.7 -9227.7 13.292 13.265 6.1629 1.1959e+05 2024-05-09 04:44:14,329 INFO [main.py:798]
{rank 0/64} MD step = 260500 step time: 00:00:00.412554 Performance: 36.268 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:44:19,255 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 260500 52100 161.3 8519.4 17679 -9159.6 -9159.6 13.297 13.27 6.1672 1.1961e+05 2024-05-09 04:45:01,299 INFO [main.py:798]
{rank 0/64} MD step = 260600 step time: 00:00:00.409625 Performance: 36.269 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:45:07,518 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 260600 52120 160.58 8377.2 17600 -9222.5 -9222.5 13.303 13.274 6.1687 1.1968e+05 2024-05-09 04:45:46,495 INFO [main.py:798]
{rank 0/64} MD step = 260700 step time: 00:00:00.393685 Performance: 36.269 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:45:50,933 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 260700 52140 158.59 8151.9 17382 -9229.8 -9229.8 13.308 13.278 6.1714 1.1973e+05 2024-05-09 04:46:30,957 INFO [main.py:798]
{rank 0/64} MD step = 260800 step time: 00:00:00.388272 Performance: 36.270 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:46:37,444 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 260800 52160 158.98 8211.2 17424 -9213.2 -9213.2 13.313 13.283 6.1737 1.1973e+05 2024-05-09 04:47:16,350 INFO [main.py:798]
{rank 0/64} MD step = 260900 step time: 00:00:00.381244 Performance: 36.271 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:47:20,722 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 260900 52180 161.71 8504.2 17723 -9219.2 -9219.2 13.317 13.286 6.1744 1.1978e+05 2024-05-09 04:48:01,696 INFO [main.py:798]
{rank 0/64} MD step = 261000 step time: 00:00:00.404723 Performance: 36.272 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:48:09,017 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 261000 52200 159.55 8332.3 17487 -9154.4 -9154.4 13.322 13.291 6.176 1.1984e+05 2024-05-09 04:48:48,497 INFO [main.py:798]
{rank 0/64} MD step = 261100 step time: 00:00:00.431819 Performance: 36.272 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:48:55,052 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 261100 52220 157.81 8136.1 17296 -9160.2 -9160.2 13.328 13.295 6.1791 1.1986e+05 2024-05-09 04:49:40,979 INFO [main.py:798]
{rank 0/64} MD step = 261200 step time: 00:00:00.447989 Performance: 36.270 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:49:46,855 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 261200 52240 158.1 8143.5 17328 -9184.8 -9184.8 13.333 13.303 6.181 1.199e+05 2024-05-09 04:50:25,858 INFO [main.py:798]
{rank 0/64} MD step = 261300 step time: 00:00:00.391913 Performance: 36.271 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:50:32,241 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 261300 52260 161.47 8491.4 17697 -9205.9 -9205.9 13.339 13.309 6.1834 1.1997e+05 2024-05-09 04:51:12,343 INFO [main.py:798]
{rank 0/64} MD step = 261400 step time: 00:00:00.438789 Performance: 36.272 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:51:18,054 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 261400 52280 160.27 8304.6 17566 -9261.4 -9261.4 13.343 13.315 6.1856 1.2001e+05 2024-05-09 04:51:57,094 INFO [main.py:798]
{rank 0/64} MD step = 261500 step time: 00:00:00.404022 Performance: 36.272 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:52:04,050 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 261500 52300 160.21 8326.7 17559 -9232.7 -9232.7 13.349 13.319 6.1875 1.2007e+05 2024-05-09 04:52:43,138 INFO [main.py:798]
{rank 0/64} MD step = 261600 step time: 00:00:00.393130 Performance: 36.273 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:52:53,219 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 261600 52320 159.4 8314.9 17470 -9155.1 -9155.1 13.355 13.324 6.1885 1.2012e+05 2024-05-09 04:53:33,078 INFO [main.py:798]
{rank 0/64} MD step = 261700 step time: 00:00:00.384123 Performance: 36.272 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:53:39,928 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 261700 52340 160.17 8340.7 17554 -9213.8 -9213.8 13.36 13.328 6.1906 1.2015e+05 2024-05-09 04:54:21,381 INFO [main.py:798]
{rank 0/64} MD step = 261800 step time: 00:00:00.399707 Performance: 36.272 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:54:27,760 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 261800 52360 158.94 8211.4 17420 -9208.7 -9208.7 13.366 13.332 6.193 1.202e+05 2024-05-09 04:55:07,402 INFO [main.py:798]
{rank 0/64} MD step = 261900 step time: 00:00:00.390270 Performance: 36.272 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:55:12,822 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 261900 52380 159.25 8213.9 17455 -9240.6 -9240.6 13.37 13.338 6.1959 1.2023e+05 2024-05-09 04:55:52,106 INFO [main.py:798]
{rank 0/64} MD step = 262000 step time: 00:00:00.410152 Performance: 36.273 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:55:57,834 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262000 52400 160.18 8439.4 17556 -9116.2 -9116.2 13.376 13.344 6.1991 1.203e+05 2024-05-09 04:56:36,796 INFO [main.py:798]
{rank 0/64} MD step = 262100 step time: 00:00:00.413697 Performance: 36.274 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:56:42,482 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262100 52420 159.85 8190.1 17520 -9329.8 -9329.8 13.38 13.349 6.1999 1.2032e+05 2024-05-09 04:57:22,165 INFO [main.py:798]
{rank 0/64} MD step = 262200 step time: 00:00:00.411916 Performance: 36.275 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:57:28,373 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262200 52440 160.48 8374.9 17588 -9213.5 -9213.5 13.386 13.355 6.2045 1.2041e+05 2024-05-09 04:58:08,219 INFO [main.py:798]
{rank 0/64} MD step = 262300 step time: 00:00:00.389749 Performance: 36.275 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:58:13,697 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262300 52460 160.07 8349.7 17544 -9194.1 -9194.1 13.392 13.361 6.2073 1.2045e+05 2024-05-09 04:58:54,507 INFO [main.py:798]
{rank 0/64} MD step = 262400 step time: 00:00:00.420360 Performance: 36.276 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:59:00,366 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262400 52480 160.8 8429.5 17624 -9194.5 -9194.5 13.399 13.366 6.2107 1.2054e+05 2024-05-09 04:59:39,218 INFO [main.py:798]
{rank 0/64} MD step = 262500 step time: 00:00:00.406240 Performance: 36.277 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 04:59:45,732 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262500 52500 158.94 8301.6 17420 -9118.6 -9118.6 13.403 13.371 6.2136 1.2059e+05 2024-05-09 05:00:24,859 INFO [main.py:798]
{rank 0/64} MD step = 262600 step time: 00:00:00.394745 Performance: 36.277 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 05:00:35,278 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262600 52520 159.33 8384.8 17463 -9078.4 -9078.4 13.408 13.376 6.2155 1.2062e+05 2024-05-09 05:01:13,675 INFO [main.py:798]
{rank 0/64} MD step = 262700 step time: 00:00:00.406375 Performance: 36.277 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 05:01:19,849 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262700 52540 163.44 8704.2 17914 -9209.6 -9209.6 13.413 13.381 6.2168 1.2068e+05 2024-05-09 05:01:58,085 INFO [main.py:798]
{rank 0/64} MD step = 262800 step time: 00:00:00.411583 Performance: 36.278 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 05:02:04,578 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262800 52560 159.97 8315.7 17533 -9217.2 -9217.2 13.417 13.385 6.2187 1.2071e+05 2024-05-09 05:02:42,768 INFO [main.py:798]
{rank 0/64} MD step = 262900 step time: 00:00:00.384764 Performance: 36.279 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 05:02:48,925 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 262900 52580 160.97 8459 17643 -9184.1 -9184.1 13.422 13.391 6.2205 1.2078e+05 2024-05-09 05:03:27,775 INFO [main.py:798]
{rank 0/64} MD step = 263000 step time: 00:00:00.378662 Performance: 36.279 ns/day 0.662 hours/ns 2.099 steps/s 2024-05-09 05:03:33,692 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 263000 52600 159.2 8167.8 17448 -9280.4 -9280.4 13.429 13.397 6.2226 1.2082e+05 2024-05-09 05:04:13,279 INFO [main.py:798]
{rank 0/64} MD step = 263100 step time: 00:00:00.381831 Performance: 36.280 ns/day 0.662 hours/ns 2.100 steps/s 2024-05-09 05:04:19,884 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 263100 52620 161.3 8512.8 17679 -9165.8 -9165.8 13.435 13.402 6.2261 1.2087e+05 2024-05-09 05:05:00,254 INFO [main.py:798]
{rank 0/64} MD step = 263200 step time: 00:00:00.405430 Performance: 36.280 ns/day 0.662 hours/ns 2.100 steps/s 2024-05-09 05:05:09,326 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 263200 52640 160.99 8415 17644 -9229.2 -9229.2 13.441 13.407 6.2303 1.2092e+05 2024-05-09 05:05:47,935 INFO [main.py:798]
{rank 0/64} MD step = 263300 step time: 00:00:00.398059 Performance: 36.280 ns/day 0.662 hours/ns 2.100 steps/s 2024-05-09 05:05:58,219 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 263300 52660 160.63 8383.9 17605 -9220.8 -9220.8 13.447 13.412 6.2327 1.2094e+05 2024-05-09 05:06:37,575 INFO [main.py:798]
{rank 0/64} MD step = 263400 step time: 00:00:00.390178 Performance: 36.280 ns/day 0.662 hours/ns 2.100 steps/s 2024-05-09 05:06:43,089 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 263400 52680 160.37 8382.8 17577 -9194.3 -9194.3 13.453 13.416 6.2332 1.2097e+05 2024-05-09 05:07:22,740 INFO [main.py:798]
{rank 0/64} MD step = 263500 step time: 00:00:00.414106 Performance: 36.280 ns/day 0.662 hours/ns 2.100 steps/s 2024-05-09 05:07:29,698 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 263500 52700 161.3 8515 17678 -9163.2 -9163.2 13.457 13.421 6.2362 1.2104e+05 2024-05-09 05:08:09,931 INFO [main.py:798]
{rank 0/64} MD step = 263600 step time: 00:00:00.418021 Performance: 36.280 ns/day 0.662 hours/ns 2.100 steps/s 2024-05-09 05:08:16,768 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 263600 52720 158.18 8211.6 17337 -9125.2 -9125.2 13.463 13.426 6.2381 1.2112e+05 2024-05-09 05:08:55,789 INFO [main.py:798]
{rank 0/64} MD step = 263700 step time: 00:00:00.419565 Performance: 36.281 ns/day 0.662 hours/ns 2.100 steps/s 2024-05-09 05:09:05,624 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 263700 52740 162.26 8620.6 17784 -9163.5 -9163.5 13.468 13.431 6.2396 1.2116e+05 2024-05-09 05:09:47,259 INFO [main.py:798]
{rank 0/64} MD step = 263800 step time: 00:00:00.408014 Performance: 36.280 ns/day 0.662 hours/ns 2.100 steps/s 2024-05-09 05:09:53,462 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 263800 52760 159.03 8278.5 17429 -9150.9 -9150.9 13.473 13.436 6.2432 1.212e+05 2024-05-09 05:10:31,510 INFO [main.py:798]
{rank 0/64} MD step = 263900 step time: 00:00:00.334250 Performance: 36.281 ns/day 0.662 hours/ns 2.100 steps/s 2024-05-09 05:10:40,640 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 263900 52780 158.33 8116.7 17353 -9236.5 -9236.5 13.478 13.441 6.2439 1.2122e+05 2024-05-09 05:11:19,702 INFO [main.py:798]
{rank 0/64} MD step = 264000 step time: 00:00:00.376573 Performance: 36.281 ns/day 0.662 hours/ns 2.100 steps/s 2024-05-09 05:11:28,542 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264000 52800 159.7 8412.4 17503 -9090.6 -9090.6 13.48 13.446 6.2472 1.213e+05 2024-05-09 05:12:07,005 INFO [main.py:798]
{rank 0/64} MD step = 264100 step time: 00:00:00.372497 Performance: 36.281 ns/day 0.662 hours/ns 2.100 steps/s 2024-05-09 05:12:13,692 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264100 52820 158.66 8219.2 17390 -9170.6 -9170.6 13.486 13.45 6.2491 1.2135e+05 2024-05-09 05:12:52,088 INFO [main.py:798]
{rank 0/64} MD step = 264200 step time: 00:00:00.401234 Performance: 36.281 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-09 05:13:02,329 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264200 52840 159.41 8412.9 17471 -9058.2 -9058.2 13.491 13.454 6.2502 1.2143e+05 2024-05-09 05:13:39,517 INFO [main.py:798]
{rank 0/64} MD step = 264300 step time: 00:00:00.393321 Performance: 36.281 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-09 05:13:46,944 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264300 52860 161.19 8398.5 17666 -9267.7 -9267.7 13.495 13.46 6.2535 1.2144e+05 2024-05-09 05:14:25,160 INFO [main.py:798]
{rank 0/64} MD step = 264400 step time: 00:00:00.401436 Performance: 36.282 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-09 05:14:32,618 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264400 52880 160.81 8551.1 17625 -9074 -9074 13.5 13.466 6.2562 1.2148e+05 2024-05-09 05:15:11,162 INFO [main.py:798]
{rank 0/64} MD step = 264500 step time: 00:00:00.399136 Performance: 36.283 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-09 05:15:18,463 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264500 52900 160.12 8417.9 17549 -9131 -9131 13.507 13.471 6.2605 1.2158e+05 2024-05-09 05:15:57,385 INFO [main.py:798]
{rank 0/64} MD step = 264600 step time: 00:00:00.394691 Performance: 36.283 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-09 05:16:04,385 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264600 52920 159.8 8369.9 17514 -9144.4 -9144.4 13.512 13.476 6.2631 1.2161e+05 2024-05-09 05:16:43,487 INFO [main.py:798]
{rank 0/64} MD step = 264700 step time: 00:00:00.367166 Performance: 36.283 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-09 05:16:51,168 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264700 52940 158.47 8077.4 17368 -9290.8 -9290.8 13.516 13.48 6.266 1.216e+05 2024-05-09 05:17:30,052 INFO [main.py:798]
{rank 0/64} MD step = 264800 step time: 00:00:00.398222 Performance: 36.284 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-09 05:17:38,395 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264800 52960 160.09 8330.8 17546 -9215.5 -9215.5 13.52 13.487 6.2668 1.2165e+05 2024-05-09 05:18:17,899 INFO [main.py:798]
{rank 0/64} MD step = 264900 step time: 00:00:00.417356 Performance: 36.284 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-09 05:18:25,251 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 264900 52980 160.91 8408 17636 -9228.3 -9228.3 13.525 13.492 6.2711 1.2168e+05 2024-05-09 05:19:04,141 INFO [main.py:798]
{rank 0/64} MD step = 265000 step time: 00:00:00.395958 Performance: 36.284 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-09 05:19:10,800 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265000 53000 160.74 8417.1 17617 -9199.9 -9199.9 13.533 13.496 6.2732 1.2178e+05 2024-05-09 05:19:50,040 INFO [main.py:798]
{rank 0/64} MD step = 265100 step time: 00:00:00.403701 Performance: 36.284 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-09 05:19:56,638 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265100 53020 161.93 8648.7 17748 -9098.9 -9098.9 13.537 13.501 6.2744 1.2181e+05 2024-05-09 05:20:35,897 INFO [main.py:798]
{rank 0/64} MD step = 265200 step time: 00:00:00.388967 Performance: 36.285 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-09 05:20:41,223 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265200 53040 159.03 8186.3 17430 -9243.5 -9243.5 13.54 13.506 6.2767 1.2185e+05 2024-05-09 05:21:19,912 INFO [main.py:798]
{rank 0/64} MD step = 265300 step time: 00:00:00.375811 Performance: 36.286 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-09 05:21:25,619 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265300 53060 159.29 8266 17458 -9192.5 -9192.5 13.545 13.51 6.2813 1.2186e+05 2024-05-09 05:22:05,032 INFO [main.py:798]
{rank 0/64} MD step = 265400 step time: 00:00:00.387694 Performance: 36.287 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-09 05:22:13,762 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265400 53080 158.86 8246.4 17412 -9165.2 -9165.2 13.552 13.516 6.2828 1.2194e+05 2024-05-09 05:22:52,813 INFO [main.py:798]
{rank 0/64} MD step = 265500 step time: 00:00:00.395389 Performance: 36.287 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-09 05:22:58,340 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265500 53100 159.77 8411.2 17511 -9099.4 -9099.4 13.556 13.521 6.2844 1.2201e+05 2024-05-09 05:23:38,010 INFO [main.py:798]
{rank 0/64} MD step = 265600 step time: 00:00:00.435126 Performance: 36.287 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-09 05:23:45,574 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265600 53120 159.66 8231.2 17499 -9268.2 -9268.2 13.561 13.529 6.2866 1.2203e+05 2024-05-09 05:24:24,667 INFO [main.py:798]
{rank 0/64} MD step = 265700 step time: 00:00:00.394425 Performance: 36.288 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-09 05:24:30,695 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265700 53140 162.24 8583.3 17782 -9198.5 -9198.5 13.567 13.533 6.289 1.221e+05 2024-05-09 05:25:09,616 INFO [main.py:798]
{rank 0/64} MD step = 265800 step time: 00:00:00.372641 Performance: 36.288 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-09 05:25:14,604 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265800 53160 160.51 8516.8 17592 -9075.6 -9075.6 13.573 13.537 6.29 1.2212e+05 2024-05-09 05:25:54,626 INFO [main.py:798]
{rank 0/64} MD step = 265900 step time: 00:00:00.381188 Performance: 36.289 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-09 05:26:00,232 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 265900 53180 160.65 8369.9 17607 -9237.3 -9237.3 13.576 13.544 6.2935 1.2217e+05 2024-05-09 05:26:39,580 INFO [main.py:798]
{rank 0/64} MD step = 266000 step time: 00:00:00.433420 Performance: 36.290 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-09 05:26:47,713 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266000 53200 160.8 8453.8 17624 -9170.5 -9170.5 13.581 13.549 6.2958 1.2224e+05 2024-05-09 05:27:26,712 INFO [main.py:798]
{rank 0/64} MD step = 266100 step time: 00:00:00.414602 Performance: 36.290 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-09 05:27:34,922 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266100 53220 159.07 8253.3 17434 -9180.5 -9180.5 13.587 13.555 6.2972 1.2229e+05 2024-05-09 05:28:14,080 INFO [main.py:798]
{rank 0/64} MD step = 266200 step time: 00:00:00.413016 Performance: 36.290 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-09 05:28:20,199 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266200 53240 162.96 8613.2 17860 -9247 -9247 13.591 13.559 6.301 1.2234e+05 2024-05-09 05:29:00,420 INFO [main.py:798]
{rank 0/64} MD step = 266300 step time: 00:00:00.387037 Performance: 36.291 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-09 05:29:06,092 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266300 53260 159.28 8323.9 17457 -9133.2 -9133.2 13.597 13.563 6.3034 1.2238e+05 2024-05-09 05:29:44,902 INFO [main.py:798]
{rank 0/64} MD step = 266400 step time: 00:00:00.359218 Performance: 36.291 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-09 05:29:50,979 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266400 53280 159.95 8305.5 17531 -9225.7 -9225.7 13.603 13.568 6.307 1.2241e+05 2024-05-09 05:30:29,541 INFO [main.py:798]
{rank 0/64} MD step = 266500 step time: 00:00:00.396568 Performance: 36.292 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-09 05:30:36,711 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266500 53300 160.43 8485.6 17583 -9097.3 -9097.3 13.609 13.576 6.3094 1.2247e+05 2024-05-09 05:31:15,417 INFO [main.py:798]
{rank 0/64} MD step = 266600 step time: 00:00:00.417607 Performance: 36.293 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-09 05:31:21,946 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266600 53320 160.27 8311.5 17565 -9253.8 -9253.8 13.612 13.58 6.3113 1.225e+05 2024-05-09 05:32:01,628 INFO [main.py:798]
{rank 0/64} MD step = 266700 step time: 00:00:00.397801 Performance: 36.293 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-09 05:32:08,011 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266700 53340 158.37 8040.4 17357 -9316.9 -9316.9 13.618 13.585 6.3135 1.2259e+05 2024-05-09 05:32:48,937 INFO [main.py:798]
{rank 0/64} MD step = 266800 step time: 00:00:00.408754 Performance: 36.293 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-09 05:32:56,657 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266800 53360 161.08 8523.8 17655 -9130.8 -9130.8 13.622 13.59 6.3163 1.2265e+05 2024-05-09 05:33:37,025 INFO [main.py:798]
{rank 0/64} MD step = 266900 step time: 00:00:00.384974 Performance: 36.293 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-09 05:33:42,836 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 266900 53380 159.68 8348.6 17501 -9152.4 -9152.4 13.629 13.596 6.3186 1.2268e+05 2024-05-09 05:34:21,152 INFO [main.py:798]
{rank 0/64} MD step = 267000 step time: 00:00:00.379009 Performance: 36.294 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-09 05:34:27,445 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267000 53400 160.33 8391.6 17572 -9180.6 -9180.6 13.634 13.601 6.3205 1.2273e+05 2024-05-09 05:35:06,352 INFO [main.py:798]
{rank 0/64} MD step = 267100 step time: 00:00:00.396544 Performance: 36.295 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-09 05:35:12,171 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267100 53420 160.1 8268.5 17547 -9278.3 -9278.3 13.639 13.605 6.3232 1.2275e+05 2024-05-09 05:35:51,198 INFO [main.py:798]
{rank 0/64} MD step = 267200 step time: 00:00:00.371293 Performance: 36.296 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-09 05:35:59,031 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267200 53440 159.38 8303.5 17469 -9165.2 -9165.2 13.644 13.611 6.3261 1.2281e+05 2024-05-09 05:36:38,116 INFO [main.py:798]
{rank 0/64} MD step = 267300 step time: 00:00:00.389604 Performance: 36.296 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-09 05:36:44,191 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267300 53460 160.32 8253.9 17571 -9317.2 -9317.2 13.649 13.617 6.329 1.2282e+05 2024-05-09 05:37:24,295 INFO [main.py:798]
{rank 0/64} MD step = 267400 step time: 00:00:00.380926 Performance: 36.296 ns/day 0.661 hours/ns 2.100 steps/s 2024-05-09 05:37:30,024 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267400 53480 159.21 8275.7 17450 -9174.3 -9174.3 13.655 13.622 6.3303 1.2288e+05 2024-05-09 05:38:09,404 INFO [main.py:798]
{rank 0/64} MD step = 267500 step time: 00:00:00.404805 Performance: 36.297 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 05:38:15,852 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267500 53500 162.26 8496 17784 -9288.2 -9288.2 13.66 13.628 6.3318 1.2291e+05 2024-05-09 05:38:54,106 INFO [main.py:798]
{rank 0/64} MD step = 267600 step time: 00:00:00.389070 Performance: 36.298 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 05:39:00,212 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267600 53520 159.54 8301.2 17486 -9185.1 -9185.1 13.667 13.634 6.334 1.2295e+05 2024-05-09 05:39:38,956 INFO [main.py:798]
{rank 0/64} MD step = 267700 step time: 00:00:00.379561 Performance: 36.299 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 05:39:45,582 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267700 53540 159.9 8322.8 17525 -9202.1 -9202.1 13.672 13.638 6.3363 1.2299e+05 2024-05-09 05:40:24,808 INFO [main.py:798]
{rank 0/64} MD step = 267800 step time: 00:00:00.392396 Performance: 36.299 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 05:40:32,158 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267800 53560 160.03 8297.9 17540 -9241.7 -9241.7 13.676 13.643 6.341 1.2307e+05 2024-05-09 05:41:11,177 INFO [main.py:798]
{rank 0/64} MD step = 267900 step time: 00:00:00.411832 Performance: 36.299 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 05:41:16,759 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 267900 53580 161.23 8425.5 17671 -9245.9 -9245.9 13.682 13.649 6.3444 1.2309e+05 2024-05-09 05:41:55,896 INFO [main.py:798]
{rank 0/64} MD step = 268000 step time: 00:00:00.387040 Performance: 36.300 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 05:42:01,928 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 268000 53600 157.95 8177.4 17312 -9134.2 -9134.2 13.688 13.654 6.3475 1.2315e+05 2024-05-09 05:42:41,579 INFO [main.py:798]
{rank 0/64} MD step = 268100 step time: 00:00:00.386939 Performance: 36.301 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 05:42:57,684 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 268100 53620 162.17 8539.2 17774 -9235.1 -9235.1 13.694 13.658 6.3488 1.2318e+05 2024-05-09 05:43:36,022 INFO [main.py:798]
{rank 0/64} MD step = 268200 step time: 00:00:00.381357 Performance: 36.299 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 05:43:40,622 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 268200 53640 159.27 8450 17456 -9006.5 -9006.5 13.699 13.664 6.3518 1.2321e+05 2024-05-09 05:44:22,147 INFO [main.py:798]
{rank 0/64} MD step = 268300 step time: 00:00:00.377688 Performance: 36.299 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 05:44:33,454 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 268300 53660 157.51 8115.2 17263 -9148.1 -9148.1 13.704 13.669 6.3547 1.2327e+05 2024-05-09 05:45:13,058 INFO [main.py:798]
{rank 0/64} MD step = 268400 step time: 00:00:00.415287 Performance: 36.298 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 05:45:17,591 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 268400 53680 158.05 8134.1 17323 -9188.8 -9188.8 13.709 13.673 6.3564 1.2336e+05 2024-05-09 05:45:58,567 INFO [main.py:798]
{rank 0/64} MD step = 268500 step time: 00:00:00.359979 Performance: 36.299 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 05:46:05,171 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 268500 53700 159.57 8400.5 17489 -9088.1 -9088.1 13.716 13.679 6.3596 1.2339e+05 2024-05-09 05:46:44,366 INFO [main.py:798]
{rank 0/64} MD step = 268600 step time: 00:00:00.381620 Performance: 36.299 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 05:46:50,614 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 268600 53720 158.42 8231.6 17363 -9131.5 -9131.5 13.723 13.684 6.3645 1.2341e+05 2024-05-09 05:47:31,407 INFO [main.py:798]
{rank 0/64} MD step = 268700 step time: 00:00:00.387600 Performance: 36.300 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 05:47:37,767 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 268700 53740 158.34 8156.1 17354 -9198.3 -9198.3 13.729 13.69 6.3647 1.2345e+05 2024-05-09 05:48:15,806 INFO [main.py:798]
{rank 0/64} MD step = 268800 step time: 00:00:00.363871 Performance: 36.300 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 05:48:20,684 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 268800 53760 159.77 8402.8 17510 -9107.6 -9107.6 13.735 13.694 6.3679 1.2351e+05 2024-05-09 05:49:01,997 INFO [main.py:798]
{rank 0/64} MD step = 268900 step time: 00:00:00.363966 Performance: 36.301 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 05:49:07,951 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 268900 53780 160.58 8419.8 17600 -9180.4 -9180.4 13.74 13.699 6.3711 1.2356e+05 2024-05-09 05:49:46,997 INFO [main.py:798]
{rank 0/64} MD step = 269000 step time: 00:00:00.400187 Performance: 36.302 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 05:49:52,317 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 269000 53800 158.43 8148.3 17364 -9215.3 -9215.3 13.745 13.704 6.3723 1.2359e+05 2024-05-09 05:50:33,357 INFO [main.py:798]
{rank 0/64} MD step = 269100 step time: 00:00:00.395516 Performance: 36.302 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 05:50:39,971 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 269100 53820 162.87 8619.1 17851 -9232 -9232 13.75 13.71 6.3738 1.2362e+05 2024-05-09 05:51:19,974 INFO [main.py:798]
{rank 0/64} MD step = 269200 step time: 00:00:00.377986 Performance: 36.302 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 05:51:26,006 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 269200 53840 160.1 8405.6 17547 -9141.1 -9141.1 13.754 13.715 6.3769 1.2368e+05 2024-05-09 05:52:04,508 INFO [main.py:798]
{rank 0/64} MD step = 269300 step time: 00:00:00.334825 Performance: 36.303 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 05:52:13,742 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 269300 53860 159.5 8384.7 17482 -9097 -9097 13.76 13.72 6.3791 1.2371e+05 2024-05-09 05:52:55,775 INFO [main.py:798]
{rank 0/64} MD step = 269400 step time: 00:00:00.348532 Performance: 36.302 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 05:53:04,261 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 269400 53880 161.03 8497 17649 -9151.7 -9151.7 13.767 13.727 6.3811 1.2376e+05 2024-05-09 05:53:42,684 INFO [main.py:798]
{rank 0/64} MD step = 269500 step time: 00:00:00.371418 Performance: 36.302 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 05:53:49,341 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 269500 53900 159.62 8385.6 17494 -9108.5 -9108.5 13.773 13.731 6.3852 1.238e+05 2024-05-09 05:54:28,452 INFO [main.py:798]
{rank 0/64} MD step = 269600 step time: 00:00:00.374769 Performance: 36.303 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 05:54:40,331 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 269600 53920 160.73 8465.5 17616 -9150.3 -9150.3 13.776 13.735 6.3878 1.2384e+05 2024-05-09 05:55:18,752 INFO [main.py:798]
{rank 0/64} MD step = 269700 step time: 00:00:00.375783 Performance: 36.302 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 05:55:26,432 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 269700 53940 160.59 8563.4 17601 -9037.8 -9037.8 13.783 13.741 6.3901 1.2389e+05 2024-05-09 05:56:06,632 INFO [main.py:798]
{rank 0/64} MD step = 269800 step time: 00:00:00.405323 Performance: 36.302 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 05:56:13,242 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 269800 53960 160.81 8448.9 17625 -9175.7 -9175.7 13.787 13.745 6.393 1.2391e+05 2024-05-09 05:56:51,237 INFO [main.py:798]
{rank 0/64} MD step = 269900 step time: 00:00:00.400118 Performance: 36.303 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 05:56:57,562 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 269900 53980 159.22 8324.3 17450 -9126.1 -9126.1 13.791 13.75 6.3971 1.2393e+05 2024-05-09 05:57:36,569 INFO [main.py:798]
{rank 0/64} MD step = 270000 step time: 00:00:00.409572 Performance: 36.303 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 05:57:43,750 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 270000 54000 160.08 8380.2 17545 -9164.4 -9164.4 13.795 13.758 6.3968 1.2396e+05 2024-05-09 05:58:21,657 INFO [main.py:798]
{rank 0/64} MD step = 270100 step time: 00:00:00.336938 Performance: 36.304 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 05:58:35,538 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 270100 54020 160.22 8338.6 17560 -9221.8 -9221.8 13.8 13.764 6.3994 1.2401e+05 2024-05-09 05:59:14,539 INFO [main.py:798]
{rank 0/64} MD step = 270200 step time: 00:00:00.412610 Performance: 36.303 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 05:59:21,569 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 270200 54040 160.28 8402.8 17567 -9164.2 -9164.2 13.806 13.771 6.401 1.2403e+05 2024-05-09 06:00:01,636 INFO [main.py:798]
{rank 0/64} MD step = 270300 step time: 00:00:00.423486 Performance: 36.303 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 06:00:08,042 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 270300 54060 160.63 8351.1 17605 -9254.1 -9254.1 13.812 13.777 6.4032 1.241e+05 2024-05-09 06:00:46,696 INFO [main.py:798]
{rank 0/64} MD step = 270400 step time: 00:00:00.409010 Performance: 36.303 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 06:00:52,752 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 270400 54080 159.01 8273.8 17428 -9153.9 -9153.9 13.816 13.78 6.4051 1.2414e+05 2024-05-09 06:01:31,588 INFO [main.py:798]
{rank 0/64} MD step = 270500 step time: 00:00:00.409785 Performance: 36.304 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 06:01:38,576 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 270500 54100 157.87 8139 17303 -9163.6 -9163.6 13.821 13.785 6.4064 1.2415e+05 2024-05-09 06:02:16,777 INFO [main.py:798]
{rank 0/64} MD step = 270600 step time: 00:00:00.409549 Performance: 36.305 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 06:02:24,198 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 270600 54120 158.25 8085.8 17345 -9258.7 -9258.7 13.825 13.789 6.4091 1.2417e+05 2024-05-09 06:03:02,767 INFO [main.py:798]
{rank 0/64} MD step = 270700 step time: 00:00:00.420275 Performance: 36.305 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 06:03:09,826 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 270700 54140 159.71 8312.6 17504 -9191.8 -9191.8 13.83 13.793 6.4106 1.2424e+05 2024-05-09 06:03:48,776 INFO [main.py:798]
{rank 0/64} MD step = 270800 step time: 00:00:00.375621 Performance: 36.306 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 06:03:55,647 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 270800 54160 158.5 8184.6 17372 -9187.4 -9187.4 13.836 13.798 6.4153 1.2426e+05 2024-05-09 06:04:36,797 INFO [main.py:798]
{rank 0/64} MD step = 270900 step time: 00:00:00.423348 Performance: 36.306 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 06:04:43,597 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 270900 54180 158.7 8224 17394 -9169.5 -9169.5 13.844 13.804 6.4156 1.2432e+05 2024-05-09 06:05:21,725 INFO [main.py:798]
{rank 0/64} MD step = 271000 step time: 00:00:00.394343 Performance: 36.306 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 06:05:26,936 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 271000 54200 160.93 8400.4 17638 -9237.6 -9237.6 13.85 13.81 6.4174 1.2434e+05 2024-05-09 06:06:05,835 INFO [main.py:798]
{rank 0/64} MD step = 271100 step time: 00:00:00.394741 Performance: 36.307 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 06:06:12,310 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 271100 54220 161.22 8487.3 17670 -9182.3 -9182.3 13.855 13.813 6.421 1.2438e+05 2024-05-09 06:06:50,965 INFO [main.py:798]
{rank 0/64} MD step = 271200 step time: 00:00:00.406311 Performance: 36.308 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 06:06:57,336 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 271200 54240 159.01 8289.2 17428 -9138.4 -9138.4 13.861 13.817 6.4231 1.2444e+05 2024-05-09 06:07:37,044 INFO [main.py:798]
{rank 0/64} MD step = 271300 step time: 00:00:00.401789 Performance: 36.309 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 06:07:43,554 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 271300 54260 160.53 8394 17594 -9200.5 -9200.5 13.865 13.821 6.4264 1.245e+05 2024-05-09 06:08:22,647 INFO [main.py:798]
{rank 0/64} MD step = 271400 step time: 00:00:00.430967 Performance: 36.309 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 06:08:29,813 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 271400 54280 160.11 8313.4 17548 -9234.4 -9234.4 13.871 13.828 6.4274 1.2455e+05 2024-05-09 06:09:08,030 INFO [main.py:798]
{rank 0/64} MD step = 271500 step time: 00:00:00.394682 Performance: 36.310 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 06:09:12,558 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 271500 54300 158.81 8247.1 17406 -9158.8 -9158.8 13.876 13.833 6.4298 1.2459e+05 2024-05-09 06:09:53,805 INFO [main.py:798]
{rank 0/64} MD step = 271600 step time: 00:00:00.408339 Performance: 36.310 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 06:09:59,038 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 271600 54320 158.76 8255.8 17400 -9144.2 -9144.2 13.88 13.837 6.4328 1.2465e+05 2024-05-09 06:10:38,220 INFO [main.py:798]
{rank 0/64} MD step = 271700 step time: 00:00:00.403008 Performance: 36.311 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 06:10:44,303 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 271700 54340 158.62 8135.7 17385 -9248.9 -9248.9 13.885 13.843 6.4367 1.2466e+05 2024-05-09 06:11:22,882 INFO [main.py:798]
{rank 0/64} MD step = 271800 step time: 00:00:00.409451 Performance: 36.312 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 06:11:29,802 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 271800 54360 161.35 8459.1 17685 -9225.4 -9225.4 13.892 13.846 6.4383 1.247e+05 2024-05-09 06:12:08,856 INFO [main.py:798]
{rank 0/64} MD step = 271900 step time: 00:00:00.440162 Performance: 36.312 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 06:12:15,084 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 271900 54380 157.45 8144.2 17257 -9112.7 -9112.7 13.896 13.854 6.4411 1.2478e+05 2024-05-09 06:12:56,267 INFO [main.py:798]
{rank 0/64} MD step = 272000 step time: 00:00:00.440789 Performance: 36.312 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 06:13:05,965 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272000 54400 162.1 8640 17766 -9126.1 -9126.1 13.902 13.859 6.4429 1.2479e+05 2024-05-09 06:13:43,925 INFO [main.py:798]
{rank 0/64} MD step = 272100 step time: 00:00:00.409224 Performance: 36.312 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 06:13:52,357 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272100 54420 157.42 8145.6 17253 -9107.7 -9107.7 13.906 13.864 6.4467 1.2485e+05 2024-05-09 06:14:31,123 INFO [main.py:798]
{rank 0/64} MD step = 272200 step time: 00:00:00.406497 Performance: 36.313 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 06:14:37,427 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272200 54440 160.43 8502.7 17583 -9080.4 -9080.4 13.91 13.87 6.4505 1.2491e+05 2024-05-09 06:15:16,404 INFO [main.py:798]
{rank 0/64} MD step = 272300 step time: 00:00:00.418865 Performance: 36.313 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 06:15:22,918 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272300 54460 163.24 8695.5 17891 -9195.3 -9195.3 13.916 13.875 6.4537 1.2491e+05 2024-05-09 06:16:01,870 INFO [main.py:798]
{rank 0/64} MD step = 272400 step time: 00:00:00.395968 Performance: 36.314 ns/day 0.661 hours/ns 2.101 steps/s 2024-05-09 06:16:09,080 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272400 54480 160.62 8425.3 17604 -9179 -9179 13.921 13.879 6.4547 1.2499e+05 2024-05-09 06:16:47,747 INFO [main.py:798]
{rank 0/64} MD step = 272500 step time: 00:00:00.401584 Performance: 36.314 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:16:54,113 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272500 54500 159.49 8244.9 17481 -9235.7 -9235.7 13.925 13.884 6.4562 1.2503e+05 2024-05-09 06:17:35,135 INFO [main.py:798]
{rank 0/64} MD step = 272600 step time: 00:00:00.364512 Performance: 36.314 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:17:42,205 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272600 54520 160.88 8442.1 17633 -9190.7 -9190.7 13.932 13.889 6.4592 1.2506e+05 2024-05-09 06:18:19,309 INFO [main.py:798]
{rank 0/64} MD step = 272700 step time: 00:00:00.407367 Performance: 36.315 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:18:25,520 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272700 54540 159.63 8341.7 17495 -9153.7 -9153.7 13.937 13.897 6.461 1.2513e+05 2024-05-09 06:19:05,122 INFO [main.py:798]
{rank 0/64} MD step = 272800 step time: 00:00:00.437568 Performance: 36.316 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:19:11,605 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272800 54560 159.96 8391.5 17532 -9140.2 -9140.2 13.943 13.9 6.463 1.2515e+05 2024-05-09 06:19:50,752 INFO [main.py:798]
{rank 0/64} MD step = 272900 step time: 00:00:00.393927 Performance: 36.316 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:19:56,396 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 272900 54580 158.35 8234.6 17356 -9121.1 -9121.1 13.951 13.906 6.4656 1.2522e+05 2024-05-09 06:20:35,508 INFO [main.py:798]
{rank 0/64} MD step = 273000 step time: 00:00:00.381728 Performance: 36.317 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:20:43,330 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273000 54600 160.15 8380.7 17553 -9172 -9172 13.955 13.911 6.4682 1.2523e+05 2024-05-09 06:21:22,189 INFO [main.py:798]
{rank 0/64} MD step = 273100 step time: 00:00:00.389226 Performance: 36.317 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:21:28,517 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273100 54620 159.84 8323.6 17519 -9195.4 -9195.4 13.96 13.917 6.4688 1.2528e+05 2024-05-09 06:22:09,455 INFO [main.py:798]
{rank 0/64} MD step = 273200 step time: 00:00:00.368977 Performance: 36.317 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:22:25,770 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273200 54640 157.65 8123.9 17279 -9155.2 -9155.2 13.966 13.923 6.4701 1.2535e+05 2024-05-09 06:23:04,277 INFO [main.py:798]
{rank 0/64} MD step = 273300 step time: 00:00:00.399969 Performance: 36.315 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:23:11,103 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273300 54660 160.44 8456.4 17585 -9128.1 -9128.1 13.972 13.928 6.4727 1.2537e+05 2024-05-09 06:23:50,167 INFO [main.py:798]
{rank 0/64} MD step = 273400 step time: 00:00:00.388455 Performance: 36.316 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:23:55,870 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273400 54680 161.01 8428.3 17647 -9218.3 -9218.3 13.976 13.933 6.4772 1.2539e+05 2024-05-09 06:24:34,518 INFO [main.py:798]
{rank 0/64} MD step = 273500 step time: 00:00:00.393088 Performance: 36.317 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:24:39,061 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273500 54700 157.85 8142 17301 -9158.9 -9158.9 13.981 13.938 6.4796 1.2546e+05 2024-05-09 06:25:19,832 INFO [main.py:798]
{rank 0/64} MD step = 273600 step time: 00:00:00.409810 Performance: 36.317 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:25:26,345 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273600 54720 161.33 8388.8 17682 -9292.8 -9292.8 13.985 13.943 6.4841 1.2551e+05 2024-05-09 06:26:04,929 INFO [main.py:798]
{rank 0/64} MD step = 273700 step time: 00:00:00.421295 Performance: 36.318 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:26:11,316 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273700 54740 158.75 8153.5 17400 -9246.1 -9246.1 13.991 13.949 6.4861 1.2552e+05 2024-05-09 06:26:51,088 INFO [main.py:798]
{rank 0/64} MD step = 273800 step time: 00:00:00.398467 Performance: 36.319 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:26:57,883 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273800 54760 158.76 8164.9 17400 -9235.3 -9235.3 13.994 13.952 6.4907 1.2559e+05 2024-05-09 06:27:36,793 INFO [main.py:798]
{rank 0/64} MD step = 273900 step time: 00:00:00.397994 Performance: 36.319 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:27:40,866 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 273900 54780 159.72 8260.7 17505 -9244.4 -9244.4 13.998 13.957 6.4934 1.2565e+05 2024-05-09 06:28:22,767 INFO [main.py:798]
{rank 0/64} MD step = 274000 step time: 00:00:00.387567 Performance: 36.319 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:28:28,641 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274000 54800 159.42 8191.1 17473 -9282 -9282 14.002 13.962 6.496 1.2571e+05 2024-05-09 06:29:07,807 INFO [main.py:798]
{rank 0/64} MD step = 274100 step time: 00:00:00.401215 Performance: 36.320 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:29:13,473 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274100 54820 158.44 8245.5 17365 -9119.2 -9119.2 14.008 13.967 6.497 1.2575e+05 2024-05-09 06:29:52,464 INFO [main.py:798]
{rank 0/64} MD step = 274200 step time: 00:00:00.395450 Performance: 36.321 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:29:58,707 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274200 54840 160.14 8283 17551 -9268.2 -9268.2 14.013 13.975 6.4995 1.2577e+05 2024-05-09 06:30:37,467 INFO [main.py:798]
{rank 0/64} MD step = 274300 step time: 00:00:00.378952 Performance: 36.322 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:30:44,266 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274300 54860 160.51 8325.9 17592 -9266.3 -9266.3 14.018 13.981 6.502 1.2584e+05 2024-05-09 06:31:22,420 INFO [main.py:798]
{rank 0/64} MD step = 274400 step time: 00:00:00.377125 Performance: 36.322 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:31:33,960 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274400 54880 160.42 8446.6 17582 -9135.9 -9135.9 14.022 13.987 6.5044 1.259e+05 2024-05-09 06:32:14,507 INFO [main.py:798]
{rank 0/64} MD step = 274500 step time: 00:00:00.378640 Performance: 36.321 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:32:20,442 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274500 54900 161.25 8489.1 17674 -9184.5 -9184.5 14.029 13.993 6.5075 1.2595e+05 2024-05-09 06:32:58,599 INFO [main.py:798]
{rank 0/64} MD step = 274600 step time: 00:00:00.396896 Performance: 36.322 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:33:05,265 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274600 54920 158.88 8181.1 17414 -9232.6 -9232.6 14.036 13.997 6.5098 1.2597e+05 2024-05-09 06:33:43,816 INFO [main.py:798]
{rank 0/64} MD step = 274700 step time: 00:00:00.406472 Performance: 36.323 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:33:49,347 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274700 54940 159.8 8395.9 17514 -9118.2 -9118.2 14.041 14.004 6.5112 1.2602e+05 2024-05-09 06:34:28,041 INFO [main.py:798]
{rank 0/64} MD step = 274800 step time: 00:00:00.387902 Performance: 36.324 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:34:33,465 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274800 54960 159.3 8247.1 17459 -9212.2 -9212.2 14.047 14.009 6.5112 1.2604e+05 2024-05-09 06:35:12,167 INFO [main.py:798]
{rank 0/64} MD step = 274900 step time: 00:00:00.388848 Performance: 36.325 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:35:18,181 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 274900 54980 159.6 8203.2 17492 -9288.9 -9288.9 14.053 14.014 6.514 1.2608e+05 2024-05-09 06:35:57,230 INFO [main.py:798]
{rank 0/64} MD step = 275000 step time: 00:00:00.412822 Performance: 36.325 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:36:02,907 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 275000 55000 161.43 8471.3 17693 -9221.6 -9221.6 14.057 14.019 6.5173 1.2615e+05 2024-05-09 06:36:43,258 INFO [main.py:798]
{rank 0/64} MD step = 275100 step time: 00:00:00.422104 Performance: 36.326 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:36:49,228 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 275100 55020 160.4 8447.2 17580 -9132.4 -9132.4 14.063 14.024 6.5198 1.262e+05 2024-05-09 06:37:29,085 INFO [main.py:798]
{rank 0/64} MD step = 275200 step time: 00:00:00.408110 Performance: 36.326 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:37:36,566 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 275200 55040 160.1 8290.7 17547 -9256.4 -9256.4 14.068 14.029 6.5225 1.2622e+05 2024-05-09 06:38:18,293 INFO [main.py:798]
{rank 0/64} MD step = 275300 step time: 00:00:00.385876 Performance: 36.326 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:38:24,533 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 275300 55060 162.92 8664.2 17856 -9192.1 -9192.1 14.075 14.033 6.5246 1.263e+05 2024-05-09 06:39:03,916 INFO [main.py:798]
{rank 0/64} MD step = 275400 step time: 00:00:00.384900 Performance: 36.326 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:39:10,755 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 275400 55080 157.29 7991.7 17239 -9247 -9247 14.081 14.038 6.5279 1.2633e+05 2024-05-09 06:39:49,921 INFO [main.py:798]
{rank 0/64} MD step = 275500 step time: 00:00:00.396915 Performance: 36.327 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:39:58,637 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 275500 55100 160.43 8454.2 17584 -9129.3 -9129.3 14.084 14.041 6.5295 1.2634e+05 2024-05-09 06:40:36,540 INFO [main.py:798]
{rank 0/64} MD step = 275600 step time: 00:00:00.429225 Performance: 36.327 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:40:43,568 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 275600 55120 159.45 8266.6 17476 -9209.8 -9209.8 14.09 14.045 6.5334 1.2638e+05 2024-05-09 06:41:22,509 INFO [main.py:798]
{rank 0/64} MD step = 275700 step time: 00:00:00.374025 Performance: 36.328 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:41:29,103 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 275700 55140 161.22 8404 17670 -9265.8 -9265.8 14.095 14.05 6.5328 1.2643e+05 2024-05-09 06:42:09,245 INFO [main.py:798]
{rank 0/64} MD step = 275800 step time: 00:00:00.372630 Performance: 36.328 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:42:16,040 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 275800 55160 159.59 8206.8 17492 -9284.9 -9284.9 14.1 14.055 6.5373 1.2645e+05 2024-05-09 06:42:55,138 INFO [main.py:798]
{rank 0/64} MD step = 275900 step time: 00:00:00.412522 Performance: 36.328 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:43:00,113 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 275900 55180 161.08 8547.9 17655 -9107.1 -9107.1 14.105 14.06 6.5384 1.265e+05 2024-05-09 06:43:40,943 INFO [main.py:798]
{rank 0/64} MD step = 276000 step time: 00:00:00.382585 Performance: 36.329 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:43:46,844 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 276000 55200 162.57 8584.6 17818 -9233.1 -9233.1 14.109 14.066 6.5391 1.2654e+05 2024-05-09 06:44:24,997 INFO [main.py:798]
{rank 0/64} MD step = 276100 step time: 00:00:00.413653 Performance: 36.330 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:44:30,536 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 276100 55220 160.51 8345 17592 -9246.8 -9246.8 14.115 14.072 6.5443 1.2661e+05 2024-05-09 06:45:09,792 INFO [main.py:798]
{rank 0/64} MD step = 276200 step time: 00:00:00.384572 Performance: 36.330 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:45:16,238 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 276200 55240 159.08 8264.6 17436 -9171 -9171 14.121 14.078 6.5468 1.2664e+05 2024-05-09 06:45:55,820 INFO [main.py:798]
{rank 0/64} MD step = 276300 step time: 00:00:00.397348 Performance: 36.331 ns/day 0.661 hours/ns 2.102 steps/s 2024-05-09 06:46:03,339 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 276300 55260 162.89 8589.7 17853 -9263.5 -9263.5 14.125 14.083 6.5495 1.2668e+05 2024-05-09 06:46:41,889 INFO [main.py:798]
{rank 0/64} MD step = 276400 step time: 00:00:00.378139 Performance: 36.331 ns/day 0.661 hours/ns 2.103 steps/s 2024-05-09 06:46:48,613 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 276400 55280 158.6 8207.4 17383 -9175.8 -9175.8 14.129 14.09 6.5526 1.267e+05 2024-05-09 06:47:28,248 INFO [main.py:798]
{rank 0/64} MD step = 276500 step time: 00:00:00.391306 Performance: 36.332 ns/day 0.661 hours/ns 2.103 steps/s 2024-05-09 06:47:33,681 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 276500 55300 157.92 8126.8 17309 -9182 -9182 14.134 14.093 6.5548 1.2675e+05 2024-05-09 06:48:13,170 INFO [main.py:798]
{rank 0/64} MD step = 276600 step time: 00:00:00.410797 Performance: 36.332 ns/day 0.661 hours/ns 2.103 steps/s 2024-05-09 06:48:21,213 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 276600 55320 160.49 8361.7 17590 -9228.3 -9228.3 14.14 14.097 6.5578 1.2678e+05 2024-05-09 06:48:59,723 INFO [main.py:798]
{rank 0/64} MD step = 276700 step time: 00:00:00.389838 Performance: 36.333 ns/day 0.661 hours/ns 2.103 steps/s 2024-05-09 06:49:05,916 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 276700 55340 160.25 8284.4 17564 -9279.6 -9279.6 14.146 14.103 6.5597 1.268e+05 2024-05-09 06:49:44,687 INFO [main.py:798]
{rank 0/64} MD step = 276800 step time: 00:00:00.400625 Performance: 36.333 ns/day 0.661 hours/ns 2.103 steps/s 2024-05-09 06:49:50,852 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 276800 55360 163.89 8737 17963 -9225.6 -9225.6 14.152 14.108 6.5609 1.2684e+05 2024-05-09 06:50:32,610 INFO [main.py:798]
{rank 0/64} MD step = 276900 step time: 00:00:00.401249 Performance: 36.333 ns/day 0.661 hours/ns 2.103 steps/s 2024-05-09 06:50:39,252 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 276900 55380 157.93 8189.3 17309 -9120 -9120 14.158 14.113 6.5644 1.2691e+05 2024-05-09 06:51:18,504 INFO [main.py:798]
{rank 0/64} MD step = 277000 step time: 00:00:00.430051 Performance: 36.334 ns/day 0.661 hours/ns 2.103 steps/s 2024-05-09 06:51:28,387 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277000 55400 156.82 8057.8 17188 -9130 -9130 14.163 14.117 6.5658 1.2696e+05 2024-05-09 06:52:07,706 INFO [main.py:798]
{rank 0/64} MD step = 277100 step time: 00:00:00.425314 Performance: 36.333 ns/day 0.661 hours/ns 2.103 steps/s 2024-05-09 06:52:13,938 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277100 55420 158.61 8207.2 17384 -9176.8 -9176.8 14.169 14.12 6.5678 1.2703e+05 2024-05-09 06:52:52,517 INFO [main.py:798]
{rank 0/64} MD step = 277200 step time: 00:00:00.407741 Performance: 36.334 ns/day 0.661 hours/ns 2.103 steps/s 2024-05-09 06:53:00,598 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277200 55440 161.42 8370.5 17692 -9321.4 -9321.4 14.172 14.125 6.5697 1.2704e+05 2024-05-09 06:53:40,898 INFO [main.py:798]
{rank 0/64} MD step = 277300 step time: 00:00:00.443263 Performance: 36.334 ns/day 0.661 hours/ns 2.103 steps/s 2024-05-09 06:53:48,421 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277300 55460 162.56 8665.4 17817 -9151.3 -9151.3 14.176 14.13 6.5712 1.2711e+05 2024-05-09 06:54:26,771 INFO [main.py:798]
{rank 0/64} MD step = 277400 step time: 00:00:00.418108 Performance: 36.334 ns/day 0.661 hours/ns 2.103 steps/s 2024-05-09 06:54:32,874 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277400 55480 158.71 8220.6 17395 -9173.9 -9173.9 14.18 14.135 6.5715 1.2712e+05 2024-05-09 06:55:12,165 INFO [main.py:798]
{rank 0/64} MD step = 277500 step time: 00:00:00.398747 Performance: 36.335 ns/day 0.661 hours/ns 2.103 steps/s 2024-05-09 06:55:17,566 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277500 55500 159.23 8249.9 17452 -9201.8 -9201.8 14.186 14.14 6.5759 1.2718e+05 2024-05-09 06:55:59,276 INFO [main.py:798]
{rank 0/64} MD step = 277600 step time: 00:00:00.404553 Performance: 36.335 ns/day 0.661 hours/ns 2.103 steps/s 2024-05-09 06:56:07,034 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277600 55520 160.74 8446.8 17617 -9170 -9170 14.192 14.146 6.577 1.2723e+05 2024-05-09 06:56:46,636 INFO [main.py:798]
{rank 0/64} MD step = 277700 step time: 00:00:00.423372 Performance: 36.335 ns/day 0.661 hours/ns 2.103 steps/s 2024-05-09 06:56:52,227 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277700 55540 159.48 8239.9 17480 -9239.6 -9239.6 14.196 14.151 6.5794 1.2728e+05 2024-05-09 06:57:31,522 INFO [main.py:798]
{rank 0/64} MD step = 277800 step time: 00:00:00.388257 Performance: 36.336 ns/day 0.661 hours/ns 2.103 steps/s 2024-05-09 06:57:38,123 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277800 55560 155.37 7958.2 17028 -9070.2 -9070.2 14.202 14.157 6.5828 1.2731e+05 2024-05-09 06:58:17,169 INFO [main.py:798]
{rank 0/64} MD step = 277900 step time: 00:00:00.368082 Performance: 36.336 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 06:58:23,954 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 277900 55580 161.3 8490.9 17679 -9188.3 -9188.3 14.208 14.162 6.5836 1.2735e+05 2024-05-09 06:59:05,184 INFO [main.py:798]
{rank 0/64} MD step = 278000 step time: 00:00:00.402405 Performance: 36.336 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 06:59:11,842 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278000 55600 156.93 7952 17200 -9247.6 -9247.6 14.213 14.167 6.5862 1.2742e+05 2024-05-09 06:59:51,453 INFO [main.py:798]
{rank 0/64} MD step = 278100 step time: 00:00:00.374630 Performance: 36.337 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 06:59:58,538 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278100 55620 160.75 8338.1 17619 -9280.7 -9280.7 14.218 14.173 6.5893 1.2745e+05 2024-05-09 07:00:38,045 INFO [main.py:798]
{rank 0/64} MD step = 278200 step time: 00:00:00.367995 Performance: 36.337 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 07:00:45,248 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278200 55640 157.27 8156.2 17237 -9081.1 -9081.1 14.224 14.178 6.5893 1.2753e+05 2024-05-09 07:01:23,969 INFO [main.py:798]
{rank 0/64} MD step = 278300 step time: 00:00:00.400034 Performance: 36.337 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 07:01:30,821 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278300 55660 158.84 8238.5 17409 -9170 -9170 14.228 14.184 6.5917 1.2756e+05 2024-05-09 07:02:10,398 INFO [main.py:798]
{rank 0/64} MD step = 278400 step time: 00:00:00.398144 Performance: 36.338 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 07:02:24,263 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278400 55680 158.33 8115.5 17353 -9237.9 -9237.9 14.234 14.187 6.5922 1.2759e+05 2024-05-09 07:03:02,906 INFO [main.py:798]
{rank 0/64} MD step = 278500 step time: 00:00:00.394257 Performance: 36.336 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 07:03:08,553 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278500 55700 160.91 8354.2 17636 -9282 -9282 14.24 14.193 6.5923 1.2765e+05 2024-05-09 07:03:50,914 INFO [main.py:798]
{rank 0/64} MD step = 278600 step time: 00:00:00.429458 Performance: 36.336 ns/day 0.661 hours/ns 2.103 steps/s 2024-05-09 07:04:00,226 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278600 55720 162.76 8547.1 17838 -9291.1 -9291.1 14.242 14.2 6.5945 1.2769e+05 2024-05-09 07:04:38,988 INFO [main.py:798]
{rank 0/64} MD step = 278700 step time: 00:00:00.391711 Performance: 36.336 ns/day 0.661 hours/ns 2.103 steps/s 2024-05-09 07:04:43,754 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278700 55740 160.79 8336.8 17623 -9285.8 -9285.8 14.247 14.206 6.5988 1.2772e+05 2024-05-09 07:05:23,647 INFO [main.py:798]
{rank 0/64} MD step = 278800 step time: 00:00:00.382873 Performance: 36.337 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 07:05:29,223 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278800 55760 161.03 8454 17650 -9195.6 -9195.6 14.253 14.21 6.6017 1.2776e+05 2024-05-09 07:06:09,609 INFO [main.py:798]
{rank 0/64} MD step = 278900 step time: 00:00:00.386888 Performance: 36.337 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 07:06:13,905 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 278900 55780 161.11 8417.9 17658 -9240.5 -9240.5 14.259 14.217 6.6045 1.278e+05 2024-05-09 07:06:54,626 INFO [main.py:798]
{rank 0/64} MD step = 279000 step time: 00:00:00.366907 Performance: 36.338 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 07:07:04,774 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 279000 55800 156.81 7962.4 17187 -9224.3 -9224.3 14.264 14.223 6.6077 1.2785e+05 2024-05-09 07:07:44,611 INFO [main.py:798]
{rank 0/64} MD step = 279100 step time: 00:00:00.402311 Performance: 36.337 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 07:07:50,377 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 279100 55820 157.98 8117.2 17314 -9197.1 -9197.1 14.268 14.228 6.6093 1.279e+05 2024-05-09 07:08:32,024 INFO [main.py:798]
{rank 0/64} MD step = 279200 step time: 00:00:00.451374 Performance: 36.337 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 07:08:38,190 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 279200 55840 159.66 8323.5 17499 -9175.7 -9175.7 14.271 14.233 6.6126 1.2791e+05 2024-05-09 07:09:16,937 INFO [main.py:798]
{rank 0/64} MD step = 279300 step time: 00:00:00.386608 Performance: 36.338 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 07:09:22,851 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 279300 55860 159.7 8265.3 17503 -9238 -9238 14.277 14.239 6.6157 1.2796e+05 2024-05-09 07:10:01,277 INFO [main.py:798]
{rank 0/64} MD step = 279400 step time: 00:00:00.374944 Performance: 36.339 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 07:10:08,278 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 279400 55880 160.58 8400.6 17600 -9199.2 -9199.2 14.283 14.243 6.6172 1.2799e+05 2024-05-09 07:10:47,375 INFO [main.py:798]
{rank 0/64} MD step = 279500 step time: 00:00:00.351130 Performance: 36.339 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 07:10:54,114 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 279500 55900 158.99 8240.4 17425 -9185 -9185 14.286 14.251 6.6191 1.2805e+05 2024-05-09 07:11:33,160 INFO [main.py:798]
{rank 0/64} MD step = 279600 step time: 00:00:00.359354 Performance: 36.340 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 07:11:42,288 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 279600 55920 160.69 8392.4 17612 -9219.1 -9219.1 14.291 14.255 6.6216 1.281e+05 2024-05-09 07:12:20,656 INFO [main.py:798]
{rank 0/64} MD step = 279700 step time: 00:00:00.399129 Performance: 36.340 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 07:12:26,493 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 279700 55940 163.07 8705.9 17873 -9166.7 -9166.7 14.296 14.261 6.6224 1.2812e+05 2024-05-09 07:13:05,477 INFO [main.py:798]
{rank 0/64} MD step = 279800 step time: 00:00:00.384847 Performance: 36.340 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 07:13:11,175 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 279800 55960 159.18 8318.1 17446 -9128.1 -9128.1 14.3 14.266 6.6258 1.2818e+05 2024-05-09 07:13:49,369 INFO [main.py:798]
{rank 0/64} MD step = 279900 step time: 00:00:00.425209 Performance: 36.341 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 07:13:55,183 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 279900 55980 159.83 8370.3 17517 -9146.9 -9146.9 14.305 14.269 6.6292 1.2827e+05 2024-05-09 07:14:35,067 INFO [main.py:798]
{rank 0/64} MD step = 280000 step time: 00:00:00.388143 Performance: 36.342 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 07:14:43,369 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280000 56000 160.41 8403.5 17581 -9177.2 -9177.2 14.31 14.273 6.6304 1.2827e+05 2024-05-09 07:15:22,214 INFO [main.py:798]
{rank 0/64} MD step = 280100 step time: 00:00:00.379513 Performance: 36.342 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 07:15:26,667 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280100 56020 160.34 8279.9 17573 -9293.1 -9293.1 14.317 14.279 6.6337 1.2832e+05 2024-05-09 07:16:07,522 INFO [main.py:798]
{rank 0/64} MD step = 280200 step time: 00:00:00.402496 Performance: 36.343 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 07:16:14,046 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280200 56040 158.39 8156 17359 -9203.3 -9203.3 14.321 14.284 6.6369 1.2837e+05 2024-05-09 07:16:54,026 INFO [main.py:798]
{rank 0/64} MD step = 280300 step time: 00:00:00.385334 Performance: 36.343 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 07:17:01,930 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280300 56060 159.58 8320.1 17491 -9170.5 -9170.5 14.325 14.288 6.6407 1.2841e+05 2024-05-09 07:17:41,664 INFO [main.py:798]
{rank 0/64} MD step = 280400 step time: 00:00:00.374973 Performance: 36.343 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 07:17:45,908 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280400 56080 159.46 8146.5 17477 -9330.6 -9330.6 14.33 14.293 6.6437 1.2846e+05 2024-05-09 07:18:25,959 INFO [main.py:798]
{rank 0/64} MD step = 280500 step time: 00:00:00.382917 Performance: 36.344 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 07:18:33,279 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280500 56100 159.23 8175.9 17452 -9275.9 -9275.9 14.337 14.297 6.645 1.285e+05 2024-05-09 07:19:12,520 INFO [main.py:798]
{rank 0/64} MD step = 280600 step time: 00:00:00.376980 Performance: 36.344 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 07:19:18,596 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280600 56120 159.99 8260.7 17535 -9273.9 -9273.9 14.34 14.301 6.6476 1.2854e+05 2024-05-09 07:19:57,480 INFO [main.py:798]
{rank 0/64} MD step = 280700 step time: 00:00:00.382207 Performance: 36.345 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 07:20:06,267 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280700 56140 161.27 8358.1 17676 -9317.7 -9317.7 14.345 14.307 6.6505 1.2857e+05 2024-05-09 07:20:46,357 INFO [main.py:798]
{rank 0/64} MD step = 280800 step time: 00:00:00.406664 Performance: 36.344 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 07:20:52,467 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280800 56160 159.06 8214.2 17433 -9218.9 -9218.9 14.35 14.312 6.6513 1.286e+05 2024-05-09 07:21:32,007 INFO [main.py:798]
{rank 0/64} MD step = 280900 step time: 00:00:00.412137 Performance: 36.345 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 07:21:37,799 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 280900 56180 161.61 8465.8 17712 -9246.4 -9246.4 14.355 14.316 6.6549 1.2866e+05 2024-05-09 07:22:15,844 INFO [main.py:798]
{rank 0/64} MD step = 281000 step time: 00:00:00.369473 Performance: 36.346 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 07:22:22,817 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281000 56200 160.12 8251.4 17549 -9298 -9298 14.36 14.322 6.6572 1.2868e+05 2024-05-09 07:23:01,714 INFO [main.py:798]
{rank 0/64} MD step = 281100 step time: 00:00:00.364080 Performance: 36.346 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 07:23:07,571 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281100 56220 161 8446.9 17646 -9199.3 -9199.3 14.366 14.325 6.6581 1.2876e+05 2024-05-09 07:23:46,326 INFO [main.py:798]
{rank 0/64} MD step = 281200 step time: 00:00:00.353530 Performance: 36.347 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 07:23:51,799 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281200 56240 160.2 8308.7 17558 -9249.7 -9249.7 14.372 14.331 6.6601 1.2877e+05 2024-05-09 07:24:31,103 INFO [main.py:798]
{rank 0/64} MD step = 281300 step time: 00:00:00.393149 Performance: 36.348 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 07:24:37,134 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281300 56260 159.75 8341.6 17509 -9167 -9167 14.377 14.334 6.6617 1.2884e+05 2024-05-09 07:25:16,347 INFO [main.py:798]
{rank 0/64} MD step = 281400 step time: 00:00:00.370729 Performance: 36.349 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 07:25:24,224 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281400 56280 159.99 8494.8 17535 -9040.4 -9040.4 14.383 14.341 6.6638 1.2891e+05 2024-05-09 07:26:04,724 INFO [main.py:798]
{rank 0/64} MD step = 281500 step time: 00:00:00.355664 Performance: 36.348 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 07:26:20,537 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281500 56300 158.67 8145 17390 -9245.3 -9245.3 14.389 14.344 6.6665 1.2891e+05 2024-05-09 07:26:58,483 INFO [main.py:798]
{rank 0/64} MD step = 281600 step time: 00:00:00.382040 Performance: 36.347 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 07:27:04,166 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281600 56320 162.29 8467 17788 -9320.7 -9320.7 14.395 14.349 6.6683 1.29e+05 2024-05-09 07:27:43,599 INFO [main.py:798]
{rank 0/64} MD step = 281700 step time: 00:00:00.404074 Performance: 36.347 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 07:27:50,879 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281700 56340 159.54 8285.9 17486 -9200.3 -9200.3 14.403 14.355 6.6719 1.2903e+05 2024-05-09 07:28:29,705 INFO [main.py:798]
{rank 0/64} MD step = 281800 step time: 00:00:00.414811 Performance: 36.348 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 07:28:36,408 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281800 56360 159.39 8226.1 17469 -9243.1 -9243.1 14.408 14.36 6.6749 1.2906e+05 2024-05-09 07:29:15,044 INFO [main.py:798]
{rank 0/64} MD step = 281900 step time: 00:00:00.411313 Performance: 36.348 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 07:29:21,729 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 281900 56380 161.7 8587.7 17723 -9135.1 -9135.1 14.413 14.364 6.6783 1.2914e+05 2024-05-09 07:30:00,735 INFO [main.py:798]
{rank 0/64} MD step = 282000 step time: 00:00:00.400224 Performance: 36.349 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 07:30:11,853 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 282000 56400 159.6 8407 17493 -9085.6 -9085.6 14.417 14.37 6.6799 1.2914e+05 2024-05-09 07:30:50,179 INFO [main.py:798]
{rank 0/64} MD step = 282100 step time: 00:00:00.400382 Performance: 36.348 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 07:30:58,134 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 282100 56420 158.68 8365.9 17391 -9025.4 -9025.4 14.421 14.374 6.6823 1.2922e+05 2024-05-09 07:31:38,594 INFO [main.py:798]
{rank 0/64} MD step = 282200 step time: 00:00:00.456734 Performance: 36.348 ns/day 0.660 hours/ns 2.103 steps/s 2024-05-09 07:31:45,709 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 282200 56440 160.78 8538.6 17622 -9083.5 -9083.5 14.426 14.383 6.6839 1.2925e+05 2024-05-09 07:32:24,364 INFO [main.py:798]
{rank 0/64} MD step = 282300 step time: 00:00:00.402522 Performance: 36.349 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 07:32:30,926 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 282300 56460 158.46 8215.9 17367 -9151.3 -9151.3 14.43 14.39 6.6856 1.2929e+05 2024-05-09 07:33:09,057 INFO [main.py:798]
{rank 0/64} MD step = 282400 step time: 00:00:00.382824 Performance: 36.349 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 07:33:16,184 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 282400 56480 158.94 8147.6 17420 -9272.4 -9272.4 14.437 14.397 6.6887 1.2933e+05 2024-05-09 07:33:55,154 INFO [main.py:798]
{rank 0/64} MD step = 282500 step time: 00:00:00.393632 Performance: 36.350 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 07:34:02,019 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 282500 56500 161.03 8544.1 17649 -9105.2 -9105.2 14.443 14.402 6.6918 1.2937e+05 2024-05-09 07:34:40,023 INFO [main.py:798]
{rank 0/64} MD step = 282600 step time: 00:00:00.372981 Performance: 36.350 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 07:34:46,421 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 282600 56520 161.57 8563.8 17709 -9144.8 -9144.8 14.448 14.406 6.6936 1.2943e+05 2024-05-09 07:35:25,863 INFO [main.py:798]
{rank 0/64} MD step = 282700 step time: 00:00:00.408301 Performance: 36.351 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 07:35:32,470 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 282700 56540 160.44 8416.1 17585 -9168.8 -9168.8 14.453 14.408 6.6969 1.2944e+05 2024-05-09 07:36:14,703 INFO [main.py:798]
{rank 0/64} MD step = 282800 step time: 00:00:00.402424 Performance: 36.351 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 07:36:20,531 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 282800 56560 159.41 8272.7 17472 -9199.1 -9199.1 14.456 14.415 6.6997 1.2949e+05 2024-05-09 07:36:59,351 INFO [main.py:798]
{rank 0/64} MD step = 282900 step time: 00:00:00.395633 Performance: 36.351 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 07:37:05,148 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 282900 56580 158.68 8263.8 17391 -9127.5 -9127.5 14.463 14.419 6.7017 1.2954e+05 2024-05-09 07:37:44,054 INFO [main.py:798]
{rank 0/64} MD step = 283000 step time: 00:00:00.407266 Performance: 36.352 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 07:37:49,976 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 283000 56600 159.46 8235.6 17477 -9241.1 -9241.1 14.469 14.425 6.7039 1.2961e+05 2024-05-09 07:38:28,863 INFO [main.py:798]
{rank 0/64} MD step = 283100 step time: 00:00:00.419304 Performance: 36.353 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 07:38:35,496 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 283100 56620 161.15 8559.7 17662 -9102.3 -9102.3 14.474 14.429 6.7061 1.297e+05 2024-05-09 07:39:13,654 INFO [main.py:798]
{rank 0/64} MD step = 283200 step time: 00:00:00.385583 Performance: 36.354 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 07:39:18,286 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 283200 56640 158.38 8012.8 17359 -9346.1 -9346.1 14.478 14.434 6.7078 1.2972e+05 2024-05-09 07:39:59,009 INFO [main.py:798]
{rank 0/64} MD step = 283300 step time: 00:00:00.413063 Performance: 36.354 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 07:40:05,980 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 283300 56660 161.27 8496.2 17676 -9179.3 -9179.3 14.483 14.441 6.7094 1.2979e+05 2024-05-09 07:40:46,512 INFO [main.py:798]
{rank 0/64} MD step = 283400 step time: 00:00:00.427930 Performance: 36.354 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 07:40:54,716 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 283400 56680 158.26 8112.6 17345 -9232.8 -9232.8 14.487 14.444 6.7135 1.2981e+05 2024-05-09 07:41:33,819 INFO [main.py:798]
{rank 0/64} MD step = 283500 step time: 00:00:00.408842 Performance: 36.354 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 07:41:45,155 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 283500 56700 161.11 8621.7 17658 -9036.6 -9036.6 14.491 14.449 6.7165 1.299e+05 2024-05-09 07:42:23,317 INFO [main.py:798]
{rank 0/64} MD step = 283600 step time: 00:00:00.414754 Performance: 36.354 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 07:42:30,506 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 283600 56720 158.39 8140.4 17360 -9219.2 -9219.2 14.496 14.454 6.7192 1.2991e+05 2024-05-09 07:43:09,833 INFO [main.py:798]
{rank 0/64} MD step = 283700 step time: 00:00:00.412511 Performance: 36.354 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 07:43:15,316 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 283700 56740 157.92 8142 17308 -9166 -9166 14.501 14.46 6.7207 1.2998e+05 2024-05-09 07:43:53,170 INFO [main.py:798]
{rank 0/64} MD step = 283800 step time: 00:00:00.397053 Performance: 36.355 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 07:43:59,743 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 283800 56760 159.73 8397.8 17507 -9109.1 -9109.1 14.506 14.467 6.7229 1.3003e+05 2024-05-09 07:44:41,933 INFO [main.py:798]
{rank 0/64} MD step = 283900 step time: 00:00:00.375195 Performance: 36.355 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 07:44:55,252 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 283900 56780 159.35 8225.5 17465 -9239.6 -9239.6 14.512 14.473 6.7265 1.3007e+05 2024-05-09 07:45:34,841 INFO [main.py:798]
{rank 0/64} MD step = 284000 step time: 00:00:00.404335 Performance: 36.353 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 07:45:40,370 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 284000 56800 159.65 8260.1 17498 -9237.8 -9237.8 14.515 14.478 6.7291 1.3009e+05 2024-05-09 07:46:19,570 INFO [main.py:798]
{rank 0/64} MD step = 284100 step time: 00:00:00.360848 Performance: 36.354 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 07:46:26,763 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 284100 56820 162.57 8586.9 17818 -9231 -9231 14.516 14.484 6.7342 1.3014e+05 2024-05-09 07:47:06,296 INFO [main.py:798]
{rank 0/64} MD step = 284200 step time: 00:00:00.389101 Performance: 36.354 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 07:47:18,656 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 284200 56840 158.4 8127.3 17361 -9233.8 -9233.8 14.521 14.488 6.7394 1.302e+05 2024-05-09 07:47:58,060 INFO [main.py:798]
{rank 0/64} MD step = 284300 step time: 00:00:00.404610 Performance: 36.353 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 07:48:03,436 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 284300 56860 158.69 8139.6 17393 -9253.6 -9253.6 14.526 14.495 6.7425 1.3022e+05 2024-05-09 07:48:42,845 INFO [main.py:798]
{rank 0/64} MD step = 284400 step time: 00:00:00.403979 Performance: 36.354 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 07:48:49,064 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 284400 56880 158.32 8139 17352 -9213.3 -9213.3 14.533 14.502 6.7453 1.3031e+05 2024-05-09 07:49:28,733 INFO [main.py:798]
{rank 0/64} MD step = 284500 step time: 00:00:00.384906 Performance: 36.354 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 07:49:43,739 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 284500 56900 156.56 8029.6 17159 -9129.5 -9129.5 14.536 14.507 6.7467 1.3036e+05 2024-05-09 07:50:22,702 INFO [main.py:798]
{rank 0/64} MD step = 284600 step time: 00:00:00.391476 Performance: 36.353 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 07:50:28,368 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 284600 56920 159.44 8265.1 17474 -9209.3 -9209.3 14.539 14.51 6.7488 1.3038e+05 2024-05-09 07:51:08,388 INFO [main.py:798]
{rank 0/64} MD step = 284700 step time: 00:00:00.395640 Performance: 36.353 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 07:51:16,234 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 284700 56940 161.84 8450.4 17738 -9287.4 -9287.4 14.547 14.514 6.7505 1.3044e+05 2024-05-09 07:51:54,324 INFO [main.py:798]
{rank 0/64} MD step = 284800 step time: 00:00:00.375310 Performance: 36.354 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 07:52:02,395 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 284800 56960 161.07 8486.5 17654 -9167.4 -9167.4 14.552 14.519 6.7539 1.3051e+05 2024-05-09 07:52:41,701 INFO [main.py:798]
{rank 0/64} MD step = 284900 step time: 00:00:00.371691 Performance: 36.354 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 07:52:47,934 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 284900 56980 159.48 8217.9 17480 -9261.7 -9261.7 14.557 14.526 6.7567 1.3054e+05 2024-05-09 07:53:28,001 INFO [main.py:798]
{rank 0/64} MD step = 285000 step time: 00:00:00.416237 Performance: 36.354 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 07:53:33,454 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 285000 57000 161.58 8553 17709 -9156.5 -9156.5 14.562 14.531 6.7592 1.3062e+05 2024-05-09 07:54:12,510 INFO [main.py:798]
{rank 0/64} MD step = 285100 step time: 00:00:00.413170 Performance: 36.355 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 07:54:18,301 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 285100 57020 161.03 8402.4 17649 -9246.9 -9246.9 14.567 14.536 6.7624 1.3067e+05 2024-05-09 07:54:57,759 INFO [main.py:798]
{rank 0/64} MD step = 285200 step time: 00:00:00.401576 Performance: 36.355 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 07:55:02,899 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 285200 57040 160.4 8360.1 17580 -9220 -9220 14.572 14.54 6.7644 1.307e+05 2024-05-09 07:55:44,197 INFO [main.py:798]
{rank 0/64} MD step = 285300 step time: 00:00:00.425960 Performance: 36.356 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 07:55:49,796 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 285300 57060 161.67 8614 17719 -9105.3 -9105.3 14.576 14.545 6.7674 1.3078e+05 2024-05-09 07:56:28,053 INFO [main.py:798]
{rank 0/64} MD step = 285400 step time: 00:00:00.385528 Performance: 36.357 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 07:56:35,802 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 285400 57080 161.35 8530.1 17684 -9154.3 -9154.3 14.581 14.551 6.7697 1.3079e+05 2024-05-09 07:57:14,579 INFO [main.py:798]
{rank 0/64} MD step = 285500 step time: 00:00:00.370394 Performance: 36.357 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 07:57:24,403 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 285500 57100 160.5 8344.6 17591 -9246.7 -9246.7 14.586 14.556 6.7714 1.3082e+05 2024-05-09 07:58:03,120 INFO [main.py:798]
{rank 0/64} MD step = 285600 step time: 00:00:00.366638 Performance: 36.357 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 07:58:11,935 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 285600 57120 160.23 8237.7 17562 -9324.1 -9324.1 14.59 14.561 6.7728 1.3088e+05 2024-05-09 07:58:51,051 INFO [main.py:798]
{rank 0/64} MD step = 285700 step time: 00:00:00.408080 Performance: 36.356 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 07:58:57,222 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 285700 57140 160.73 8402.4 17617 -9214.2 -9214.2 14.596 14.566 6.7761 1.309e+05 2024-05-09 07:59:36,151 INFO [main.py:798]
{rank 0/64} MD step = 285800 step time: 00:00:00.409197 Performance: 36.357 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 07:59:43,124 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 285800 57160 160.41 8453.5 17581 -9127.8 -9127.8 14.599 14.573 6.779 1.3094e+05 2024-05-09 08:00:21,981 INFO [main.py:798]
{rank 0/64} MD step = 285900 step time: 00:00:00.377356 Performance: 36.358 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 08:00:28,654 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 285900 57180 161.07 8381 17653 -9272.2 -9272.2 14.607 14.577 6.7804 1.3099e+05 2024-05-09 08:01:08,823 INFO [main.py:798]
{rank 0/64} MD step = 286000 step time: 00:00:00.426784 Performance: 36.358 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 08:01:13,535 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286000 57200 160.53 8406.6 17594 -9187.7 -9187.7 14.613 14.583 6.7818 1.3105e+05 2024-05-09 08:01:53,066 INFO [main.py:798]
{rank 0/64} MD step = 286100 step time: 00:00:00.404757 Performance: 36.359 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 08:01:59,449 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286100 57220 160.31 8430.9 17570 -9139.1 -9139.1 14.618 14.59 6.7836 1.3111e+05 2024-05-09 08:02:38,509 INFO [main.py:798]
{rank 0/64} MD step = 286200 step time: 00:00:00.383532 Performance: 36.359 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 08:02:44,748 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286200 57240 158.98 8196.5 17425 -9228.4 -9228.4 14.626 14.596 6.7865 1.311e+05 2024-05-09 08:03:24,582 INFO [main.py:798]
{rank 0/64} MD step = 286300 step time: 00:00:00.398087 Performance: 36.360 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 08:03:31,058 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286300 57260 159.66 8260.6 17498 -9237.9 -9237.9 14.63 14.601 6.7898 1.3114e+05 2024-05-09 08:04:10,952 INFO [main.py:798]
{rank 0/64} MD step = 286400 step time: 00:00:00.389150 Performance: 36.360 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 08:04:17,238 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286400 57280 158.94 8181.5 17420 -9238.8 -9238.8 14.637 14.604 6.7908 1.3118e+05 2024-05-09 08:04:55,607 INFO [main.py:798]
{rank 0/64} MD step = 286500 step time: 00:00:00.386720 Performance: 36.361 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 08:05:02,332 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286500 57300 158.03 8180.6 17320 -9139.6 -9139.6 14.642 14.609 6.7928 1.3125e+05 2024-05-09 08:05:44,298 INFO [main.py:798]
{rank 0/64} MD step = 286600 step time: 00:00:00.389140 Performance: 36.360 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 08:05:51,252 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286600 57320 159.5 8271.5 17481 -9210 -9210 14.65 14.615 6.7958 1.313e+05 2024-05-09 08:06:30,579 INFO [main.py:798]
{rank 0/64} MD step = 286700 step time: 00:00:00.386542 Performance: 36.361 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 08:06:36,973 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286700 57340 160.23 8341.9 17561 -9219.2 -9219.2 14.653 14.619 6.7991 1.3132e+05 2024-05-09 08:07:15,580 INFO [main.py:798]
{rank 0/64} MD step = 286800 step time: 00:00:00.403961 Performance: 36.361 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 08:07:22,079 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286800 57360 161.92 8572.2 17746 -9174.3 -9174.3 14.658 14.624 6.8023 1.3136e+05 2024-05-09 08:08:00,189 INFO [main.py:798]
{rank 0/64} MD step = 286900 step time: 00:00:00.396250 Performance: 36.362 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 08:08:06,328 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 286900 57380 162.28 8614.3 17786 -9171.3 -9171.3 14.662 14.629 6.8008 1.3142e+05 2024-05-09 08:08:46,194 INFO [main.py:798]
{rank 0/64} MD step = 287000 step time: 00:00:00.363036 Performance: 36.363 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 08:08:52,791 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 287000 57400 158.04 8031.1 17321 -9290.3 -9290.3 14.665 14.635 6.8028 1.3148e+05 2024-05-09 08:09:31,780 INFO [main.py:798]
{rank 0/64} MD step = 287100 step time: 00:00:00.421332 Performance: 36.363 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 08:09:40,482 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 287100 57420 160.44 8374.7 17585 -9210.1 -9210.1 14.671 14.64 6.8064 1.3149e+05 2024-05-09 08:10:21,419 INFO [main.py:798]
{rank 0/64} MD step = 287200 step time: 00:00:00.431581 Performance: 36.363 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 08:10:29,453 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 287200 57440 158.24 8179 17344 -9164.6 -9164.6 14.675 14.646 6.8081 1.3154e+05 2024-05-09 08:11:09,090 INFO [main.py:798]
{rank 0/64} MD step = 287300 step time: 00:00:00.454513 Performance: 36.362 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 08:11:19,196 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 287300 57460 159.34 8327.6 17464 -9136.6 -9136.6 14.681 14.651 6.8103 1.3159e+05 2024-05-09 08:11:58,234 INFO [main.py:798]
{rank 0/64} MD step = 287400 step time: 00:00:00.417863 Performance: 36.362 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 08:12:05,691 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 287400 57480 160.8 8482.2 17624 -9142.1 -9142.1 14.685 14.656 6.8135 1.3163e+05 2024-05-09 08:12:45,051 INFO [main.py:798]
{rank 0/64} MD step = 287500 step time: 00:00:00.395967 Performance: 36.362 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 08:12:51,911 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 287500 57500 159.61 8328.4 17494 -9165.2 -9165.2 14.691 14.661 6.8146 1.3168e+05 2024-05-09 08:13:28,902 INFO [main.py:798]
{rank 0/64} MD step = 287600 step time: 00:00:00.406893 Performance: 36.363 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 08:13:37,817 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 287600 57520 159.12 8127 17439 -9312.5 -9312.5 14.694 14.666 6.8166 1.3175e+05 2024-05-09 08:14:18,340 INFO [main.py:798]
{rank 0/64} MD step = 287700 step time: 00:00:00.403791 Performance: 36.363 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 08:14:24,939 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 287700 57540 157.49 8167.1 17262 -9094.4 -9094.4 14.699 14.672 6.8182 1.3182e+05 2024-05-09 08:15:03,648 INFO [main.py:798]
{rank 0/64} MD step = 287800 step time: 00:00:00.403924 Performance: 36.363 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 08:15:10,176 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 287800 57560 160.74 8429.8 17617 -9187.5 -9187.5 14.705 14.675 6.8205 1.3187e+05 2024-05-09 08:15:48,458 INFO [main.py:798]
{rank 0/64} MD step = 287900 step time: 00:00:00.406109 Performance: 36.364 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 08:15:56,247 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 287900 57580 163.41 8722.7 17910 -9187.7 -9187.7 14.709 14.681 6.8236 1.3188e+05 2024-05-09 08:16:34,476 INFO [main.py:798]
{rank 0/64} MD step = 288000 step time: 00:00:00.382583 Performance: 36.364 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 08:16:44,679 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 288000 57600 162.25 8519.4 17782 -9263 -9263 14.715 14.682 6.8251 1.3196e+05 2024-05-09 08:17:24,128 INFO [main.py:798]
{rank 0/64} MD step = 288100 step time: 00:00:00.376196 Performance: 36.364 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 08:17:30,187 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 288100 57620 158.05 8217.3 17322 -9105 -9105 14.721 14.688 6.8275 1.3203e+05 2024-05-09 08:18:09,985 INFO [main.py:798]
{rank 0/64} MD step = 288200 step time: 00:00:00.412118 Performance: 36.364 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 08:18:18,861 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 288200 57640 161.41 8518.9 17691 -9172.3 -9172.3 14.726 14.692 6.8303 1.3206e+05 2024-05-09 08:18:57,907 INFO [main.py:798]
{rank 0/64} MD step = 288300 step time: 00:00:00.397918 Performance: 36.364 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 08:19:04,832 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 288300 57660 158.55 8157.1 17378 -9220.5 -9220.5 14.732 14.699 6.8323 1.3211e+05 2024-05-09 08:19:43,720 INFO [main.py:798]
{rank 0/64} MD step = 288400 step time: 00:00:00.382640 Performance: 36.365 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 08:19:50,311 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 288400 57680 161.31 8506.9 17680 -9173.2 -9173.2 14.737 14.704 6.8351 1.3216e+05 2024-05-09 08:20:29,707 INFO [main.py:798]
{rank 0/64} MD step = 288500 step time: 00:00:00.430979 Performance: 36.365 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 08:20:35,572 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 288500 57700 159.33 8206.7 17463 -9256.4 -9256.4 14.742 14.711 6.8372 1.322e+05 2024-05-09 08:21:13,997 INFO [main.py:798]
{rank 0/64} MD step = 288600 step time: 00:00:00.375867 Performance: 36.366 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:21:20,170 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 288600 57720 159.87 8357.2 17522 -9165.2 -9165.2 14.749 14.716 6.8392 1.3224e+05 2024-05-09 08:22:04,694 INFO [main.py:798]
{rank 0/64} MD step = 288700 step time: 00:00:00.412981 Performance: 36.365 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 08:22:14,383 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 288700 57740 161.35 8542.8 17684 -9141.5 -9141.5 14.755 14.721 6.8423 1.323e+05 2024-05-09 08:22:53,406 INFO [main.py:798]
{rank 0/64} MD step = 288800 step time: 00:00:00.378444 Performance: 36.365 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 08:23:00,648 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 288800 57760 159.61 8305.1 17493 -9187.9 -9187.9 14.761 14.726 6.8435 1.3234e+05 2024-05-09 08:23:38,972 INFO [main.py:798]
{rank 0/64} MD step = 288900 step time: 00:00:00.378601 Performance: 36.365 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 08:23:45,485 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 288900 57780 158.59 8119.6 17382 -9261.9 -9261.9 14.765 14.731 6.8456 1.3238e+05 2024-05-09 08:24:24,763 INFO [main.py:798]
{rank 0/64} MD step = 289000 step time: 00:00:00.401304 Performance: 36.366 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 08:24:31,395 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 289000 57800 162.45 8599.4 17805 -9205.4 -9205.4 14.769 14.735 6.8501 1.3243e+05 2024-05-09 08:25:10,452 INFO [main.py:798]
{rank 0/64} MD step = 289100 step time: 00:00:00.433262 Performance: 36.366 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:25:20,100 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 289100 57820 159.44 8199.8 17475 -9275.5 -9275.5 14.774 14.74 6.8531 1.3243e+05 2024-05-09 08:26:00,765 INFO [main.py:798]
{rank 0/64} MD step = 289200 step time: 00:00:00.418283 Performance: 36.365 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 08:26:09,187 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 289200 57840 162.11 8497.4 17768 -9270.5 -9270.5 14.779 14.745 6.8556 1.3252e+05 2024-05-09 08:26:47,211 INFO [main.py:798]
{rank 0/64} MD step = 289300 step time: 00:00:00.402532 Performance: 36.366 ns/day 0.660 hours/ns 2.104 steps/s 2024-05-09 08:26:53,697 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 289300 57860 160.04 8372.9 17541 -9168 -9168 14.785 14.749 6.8571 1.3255e+05 2024-05-09 08:27:32,022 INFO [main.py:798]
{rank 0/64} MD step = 289400 step time: 00:00:00.377232 Performance: 36.366 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:27:39,442 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 289400 57880 158.51 8119.5 17373 -9253.7 -9253.7 14.787 14.753 6.86 1.3257e+05 2024-05-09 08:28:18,411 INFO [main.py:798]
{rank 0/64} MD step = 289500 step time: 00:00:00.399823 Performance: 36.367 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:28:25,785 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 289500 57900 161.55 8412 17706 -9293.6 -9293.6 14.793 14.759 6.8602 1.326e+05 2024-05-09 08:29:04,647 INFO [main.py:798]
{rank 0/64} MD step = 289600 step time: 00:00:00.427272 Performance: 36.367 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:29:11,752 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 289600 57920 161.85 8422.3 17739 -9317.1 -9317.1 14.799 14.764 6.8611 1.3263e+05 2024-05-09 08:29:50,502 INFO [main.py:798]
{rank 0/64} MD step = 289700 step time: 00:00:00.372313 Performance: 36.368 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:29:58,822 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 289700 57940 159.11 8210.6 17438 -9227.9 -9227.9 14.803 14.77 6.8622 1.3267e+05 2024-05-09 08:30:37,420 INFO [main.py:798]
{rank 0/64} MD step = 289800 step time: 00:00:00.431843 Performance: 36.368 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:30:45,540 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 289800 57960 159.23 8177 17452 -9274.6 -9274.6 14.807 14.776 6.8657 1.3272e+05 2024-05-09 08:31:24,240 INFO [main.py:798]
{rank 0/64} MD step = 289900 step time: 00:00:00.398725 Performance: 36.368 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:31:30,566 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 289900 57980 161.69 8648.2 17721 -9073.1 -9073.1 14.814 14.781 6.8673 1.3279e+05 2024-05-09 08:32:11,975 INFO [main.py:798]
{rank 0/64} MD step = 290000 step time: 00:00:00.432488 Performance: 36.368 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:32:18,153 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 290000 58000 159.63 8311.1 17495 -9184.1 -9184.1 14.817 14.786 6.8698 1.3284e+05 2024-05-09 08:32:57,270 INFO [main.py:798]
{rank 0/64} MD step = 290100 step time: 00:00:00.390712 Performance: 36.368 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:33:04,202 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 290100 58020 160.88 8425.6 17632 -9206.8 -9206.8 14.824 14.793 6.8728 1.3288e+05 2024-05-09 08:33:44,087 INFO [main.py:798]
{rank 0/64} MD step = 290200 step time: 00:00:00.452297 Performance: 36.369 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:33:51,126 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 290200 58040 160.72 8353 17615 -9262.2 -9262.2 14.829 14.797 6.8737 1.3291e+05 2024-05-09 08:34:30,862 INFO [main.py:798]
{rank 0/64} MD step = 290300 step time: 00:00:00.393069 Performance: 36.369 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:34:37,349 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 290300 58060 159.35 8364.5 17465 -9100.1 -9100.1 14.834 14.803 6.8754 1.3299e+05 2024-05-09 08:35:16,011 INFO [main.py:798]
{rank 0/64} MD step = 290400 step time: 00:00:00.394991 Performance: 36.369 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:35:21,988 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 290400 58080 159.68 8273.8 17501 -9227.1 -9227.1 14.839 14.807 6.8789 1.3302e+05 2024-05-09 08:36:00,555 INFO [main.py:798]
{rank 0/64} MD step = 290500 step time: 00:00:00.395785 Performance: 36.370 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:36:07,116 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 290500 58100 159.4 8218.6 17471 -9252.3 -9252.3 14.846 14.812 6.8823 1.3307e+05 2024-05-09 08:36:45,086 INFO [main.py:798]
{rank 0/64} MD step = 290600 step time: 00:00:00.385240 Performance: 36.371 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:36:52,926 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 290600 58120 159.65 8294.4 17498 -9203.9 -9203.9 14.851 14.815 6.8836 1.3309e+05 2024-05-09 08:37:31,918 INFO [main.py:798]
{rank 0/64} MD step = 290700 step time: 00:00:00.404820 Performance: 36.371 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:37:38,635 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 290700 58140 159.76 8282.8 17510 -9226.9 -9226.9 14.858 14.822 6.8843 1.3312e+05 2024-05-09 08:38:18,728 INFO [main.py:798]
{rank 0/64} MD step = 290800 step time: 00:00:00.402540 Performance: 36.371 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:38:25,801 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 290800 58160 159.62 8327.8 17495 -9167 -9167 14.862 14.828 6.8887 1.3316e+05 2024-05-09 08:39:04,250 INFO [main.py:798]
{rank 0/64} MD step = 290900 step time: 00:00:00.403036 Performance: 36.372 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:39:11,020 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 290900 58180 160.57 8490.8 17598 -9107.5 -9107.5 14.868 14.834 6.8894 1.3324e+05 2024-05-09 08:39:49,643 INFO [main.py:798]
{rank 0/64} MD step = 291000 step time: 00:00:00.372695 Performance: 36.372 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:40:04,241 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 291000 58200 158.07 8058.4 17325 -9266.3 -9266.3 14.872 14.838 6.8903 1.3325e+05 2024-05-09 08:40:43,364 INFO [main.py:798]
{rank 0/64} MD step = 291100 step time: 00:00:00.386903 Performance: 36.371 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:40:50,882 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 291100 58220 161.75 8536.4 17728 -9191.7 -9191.7 14.879 14.843 6.8929 1.3332e+05 2024-05-09 08:41:29,648 INFO [main.py:798]
{rank 0/64} MD step = 291200 step time: 00:00:00.421070 Performance: 36.371 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:41:34,294 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 291200 58240 160.68 8390.5 17610 -9219.7 -9219.7 14.884 14.849 6.8945 1.3334e+05 2024-05-09 08:42:15,603 INFO [main.py:798]
{rank 0/64} MD step = 291300 step time: 00:00:00.430636 Performance: 36.371 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:42:22,738 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 291300 58260 157.86 8157.7 17301 -9143.7 -9143.7 14.889 14.856 6.8963 1.334e+05 2024-05-09 08:43:01,621 INFO [main.py:798]
{rank 0/64} MD step = 291400 step time: 00:00:00.440230 Performance: 36.372 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:43:06,869 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 291400 58280 160.06 8357.4 17542 -9184.9 -9184.9 14.894 14.863 6.8971 1.3345e+05 2024-05-09 08:43:45,722 INFO [main.py:798]
{rank 0/64} MD step = 291500 step time: 00:00:00.402979 Performance: 36.373 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:43:52,176 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 291500 58300 159.71 8341.1 17505 -9163.9 -9163.9 14.898 14.87 6.8992 1.3354e+05 2024-05-09 08:44:31,295 INFO [main.py:798]
{rank 0/64} MD step = 291600 step time: 00:00:00.368460 Performance: 36.373 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:44:37,207 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 291600 58320 160.24 8351.3 17562 -9210.7 -9210.7 14.902 14.877 6.9014 1.3356e+05 2024-05-09 08:45:16,198 INFO [main.py:798]
{rank 0/64} MD step = 291700 step time: 00:00:00.370554 Performance: 36.374 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:45:23,004 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 291700 58340 161.71 8550.9 17723 -9172.6 -9172.6 14.906 14.879 6.9022 1.3365e+05 2024-05-09 08:46:02,240 INFO [main.py:798]
{rank 0/64} MD step = 291800 step time: 00:00:00.411695 Performance: 36.374 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:46:11,152 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 291800 58360 160.87 8375.7 17632 -9255.8 -9255.8 14.912 14.884 6.9028 1.3371e+05 2024-05-09 08:46:48,803 INFO [main.py:798]
{rank 0/64} MD step = 291900 step time: 00:00:00.380383 Performance: 36.375 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:46:54,845 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 291900 58380 159.64 8190.9 17497 -9305.9 -9305.9 14.917 14.89 6.9057 1.3372e+05 2024-05-09 08:47:33,264 INFO [main.py:798]
{rank 0/64} MD step = 292000 step time: 00:00:00.379681 Performance: 36.375 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:47:39,199 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292000 58400 161.06 8440.4 17653 -9212.1 -9212.1 14.925 14.895 6.9072 1.3378e+05 2024-05-09 08:48:18,910 INFO [main.py:798]
{rank 0/64} MD step = 292100 step time: 00:00:00.406917 Performance: 36.376 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:48:24,866 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292100 58420 160.17 8201.8 17555 -9353.3 -9353.3 14.929 14.9 6.9096 1.3383e+05 2024-05-09 08:49:03,715 INFO [main.py:798]
{rank 0/64} MD step = 292200 step time: 00:00:00.426635 Performance: 36.377 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:49:10,861 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292200 58440 160.29 8288.5 17568 -9279.4 -9279.4 14.935 14.905 6.9117 1.3384e+05 2024-05-09 08:49:50,397 INFO [main.py:798]
{rank 0/64} MD step = 292300 step time: 00:00:00.424459 Performance: 36.377 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:49:57,715 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292300 58460 159.97 8443.9 17533 -9089.4 -9089.4 14.939 14.909 6.9142 1.3389e+05 2024-05-09 08:50:36,269 INFO [main.py:798]
{rank 0/64} MD step = 292400 step time: 00:00:00.383188 Performance: 36.377 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:50:45,935 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292400 58480 161.21 8485.8 17669 -9183.3 -9183.3 14.945 14.913 6.9194 1.3393e+05 2024-05-09 08:51:25,167 INFO [main.py:798]
{rank 0/64} MD step = 292500 step time: 00:00:00.404800 Performance: 36.377 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:51:33,211 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292500 58500 160.62 8422.7 17604 -9181.4 -9181.4 14.949 14.919 6.9211 1.3398e+05 2024-05-09 08:52:12,433 INFO [main.py:798]
{rank 0/64} MD step = 292600 step time: 00:00:00.409970 Performance: 36.377 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:52:20,580 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292600 58520 161.37 8538 17686 -9148.5 -9148.5 14.955 14.923 6.9229 1.3402e+05 2024-05-09 08:52:58,250 INFO [main.py:798]
{rank 0/64} MD step = 292700 step time: 00:00:00.400058 Performance: 36.377 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:53:07,154 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292700 58540 156.04 7939.2 17102 -9163 -9163 14.961 14.928 6.9248 1.3407e+05 2024-05-09 08:53:43,940 INFO [main.py:798]
{rank 0/64} MD step = 292800 step time: 00:00:00.342994 Performance: 36.378 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:53:54,073 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292800 58560 159.03 8257.4 17429 -9172 -9172 14.966 14.935 6.9288 1.3411e+05 2024-05-09 08:54:31,686 INFO [main.py:798]
{rank 0/64} MD step = 292900 step time: 00:00:00.374945 Performance: 36.378 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:54:39,391 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 292900 58580 158.29 8220.9 17348 -9127.4 -9127.4 14.971 14.94 6.9307 1.3416e+05 2024-05-09 08:55:20,086 INFO [main.py:798]
{rank 0/64} MD step = 293000 step time: 00:00:00.401019 Performance: 36.378 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:55:27,078 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 293000 58600 162.2 8506.1 17777 -9271 -9271 14.977 14.944 6.9307 1.3423e+05 2024-05-09 08:56:06,307 INFO [main.py:798]
{rank 0/64} MD step = 293100 step time: 00:00:00.407906 Performance: 36.378 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:56:13,455 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 293100 58620 158.75 8239.4 17399 -9159.3 -9159.3 14.982 14.95 6.9335 1.343e+05 2024-05-09 08:56:52,723 INFO [main.py:798]
{rank 0/64} MD step = 293200 step time: 00:00:00.399896 Performance: 36.378 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:56:59,057 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 293200 58640 159.81 8239.5 17515 -9276 -9276 14.988 14.956 6.936 1.3431e+05 2024-05-09 08:57:37,996 INFO [main.py:798]
{rank 0/64} MD step = 293300 step time: 00:00:00.387231 Performance: 36.379 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:57:44,623 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 293300 58660 159.95 8363.6 17531 -9167.6 -9167.6 14.992 14.962 6.9364 1.3434e+05 2024-05-09 08:58:25,890 INFO [main.py:798]
{rank 0/64} MD step = 293400 step time: 00:00:00.392229 Performance: 36.379 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:58:35,629 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 293400 58680 159.55 8301.2 17487 -9185.9 -9185.9 14.998 14.965 6.9394 1.3438e+05 2024-05-09 08:59:14,998 INFO [main.py:798]
{rank 0/64} MD step = 293500 step time: 00:00:00.386731 Performance: 36.378 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 08:59:21,563 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 293500 58700 160.28 8351.2 17567 -9215.5 -9215.5 15.003 14.972 6.9419 1.3443e+05 2024-05-09 09:00:00,022 INFO [main.py:798]
{rank 0/64} MD step = 293600 step time: 00:00:00.381462 Performance: 36.379 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 09:00:07,704 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 293600 58720 157.64 8118.5 17277 -9158.7 -9158.7 15.007 14.979 6.9436 1.3445e+05 2024-05-09 09:00:46,714 INFO [main.py:798]
{rank 0/64} MD step = 293700 step time: 00:00:00.398720 Performance: 36.379 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 09:00:52,454 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 293700 58740 158.24 8072.7 17344 -9271.2 -9271.2 15.011 14.983 6.9468 1.3449e+05 2024-05-09 09:01:33,498 INFO [main.py:798]
{rank 0/64} MD step = 293800 step time: 00:00:00.407385 Performance: 36.379 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 09:01:39,756 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 293800 58760 161.14 8427.7 17661 -9233.8 -9233.8 15.018 14.987 6.949 1.3454e+05 2024-05-09 09:02:18,000 INFO [main.py:798]
{rank 0/64} MD step = 293900 step time: 00:00:00.398767 Performance: 36.380 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 09:02:22,720 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 293900 58780 159.15 8192.3 17443 -9250.6 -9250.6 15.024 14.993 6.9527 1.3458e+05 2024-05-09 09:03:03,083 INFO [main.py:798]
{rank 0/64} MD step = 294000 step time: 00:00:00.405731 Performance: 36.381 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 09:03:10,331 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294000 58800 160.33 8236.1 17573 -9336.4 -9336.4 15.029 14.998 6.9553 1.3463e+05 2024-05-09 09:03:48,760 INFO [main.py:798]
{rank 0/64} MD step = 294100 step time: 00:00:00.382088 Performance: 36.381 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 09:03:56,528 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294100 58820 158.63 8103.7 17386 -9282.3 -9282.3 15.035 15.003 6.9558 1.3467e+05 2024-05-09 09:04:37,327 INFO [main.py:798]
{rank 0/64} MD step = 294200 step time: 00:00:00.393020 Performance: 36.381 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 09:04:45,365 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294200 58840 162.92 8594.8 17856 -9261.3 -9261.3 15.04 15.008 6.96 1.3469e+05 2024-05-09 09:05:23,641 INFO [main.py:798]
{rank 0/64} MD step = 294300 step time: 00:00:00.386027 Performance: 36.381 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 09:05:30,486 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294300 58860 161.26 8506.2 17674 -9167.9 -9167.9 15.045 15.014 6.9613 1.3477e+05 2024-05-09 09:06:08,187 INFO [main.py:798]
{rank 0/64} MD step = 294400 step time: 00:00:00.388004 Performance: 36.382 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 09:06:17,070 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294400 58880 160.57 8499.1 17598 -9099.2 -9099.2 15.049 15.018 6.9662 1.3476e+05 2024-05-09 09:06:56,042 INFO [main.py:798]
{rank 0/64} MD step = 294500 step time: 00:00:00.416127 Performance: 36.382 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 09:07:01,824 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294500 58900 158.57 8148 17380 -9231.9 -9231.9 15.055 15.023 6.9688 1.3481e+05 2024-05-09 09:07:41,156 INFO [main.py:798]
{rank 0/64} MD step = 294600 step time: 00:00:00.403600 Performance: 36.382 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 09:07:48,371 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294600 58920 158.53 8230.2 17375 -9144.9 -9144.9 15.058 15.029 6.9714 1.3488e+05 2024-05-09 09:08:27,107 INFO [main.py:798]
{rank 0/64} MD step = 294700 step time: 00:00:00.398219 Performance: 36.383 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 09:08:34,918 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294700 58940 160.07 8367.7 17544 -9175.9 -9175.9 15.063 15.035 6.9732 1.349e+05 2024-05-09 09:09:14,429 INFO [main.py:798]
{rank 0/64} MD step = 294800 step time: 00:00:00.411075 Performance: 36.383 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 09:09:23,083 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294800 58960 159.64 8355.1 17497 -9141.8 -9141.8 15.07 15.04 6.9745 1.3495e+05 2024-05-09 09:10:01,885 INFO [main.py:798]
{rank 0/64} MD step = 294900 step time: 00:00:00.416597 Performance: 36.383 ns/day 0.660 hours/ns 2.105 steps/s 2024-05-09 09:10:07,850 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 294900 58980 157.79 8025.8 17294 -9268.1 -9268.1 15.075 15.045 6.9776 1.3501e+05 2024-05-09 09:10:47,154 INFO [main.py:798]
{rank 0/64} MD step = 295000 step time: 00:00:00.425080 Performance: 36.384 ns/day 0.660 hours/ns 2.106 steps/s 2024-05-09 09:10:55,803 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 295000 59000 159.48 8207.8 17479 -9271.3 -9271.3 15.079 15.05 6.9789 1.3507e+05 2024-05-09 09:11:33,947 INFO [main.py:798]
{rank 0/64} MD step = 295100 step time: 00:00:00.402787 Performance: 36.384 ns/day 0.660 hours/ns 2.106 steps/s 2024-05-09 09:11:39,495 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 295100 59020 160.08 8345 17545 -9200.3 -9200.3 15.084 15.054 6.981 1.3508e+05 2024-05-09 09:12:21,671 INFO [main.py:798]
{rank 0/64} MD step = 295200 step time: 00:00:00.410439 Performance: 36.384 ns/day 0.660 hours/ns 2.106 steps/s 2024-05-09 09:12:28,416 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 295200 59040 160.6 8379.4 17602 -9222.4 -9222.4 15.09 15.058 6.984 1.3513e+05 2024-05-09 09:13:06,805 INFO [main.py:798]
{rank 0/64} MD step = 295300 step time: 00:00:00.415598 Performance: 36.384 ns/day 0.660 hours/ns 2.106 steps/s 2024-05-09 09:13:13,330 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 295300 59060 158.95 8182.8 17421 -9238.3 -9238.3 15.096 15.065 6.9859 1.3516e+05 2024-05-09 09:13:53,546 INFO [main.py:798]
{rank 0/64} MD step = 295400 step time: 00:00:00.381390 Performance: 36.384 ns/day 0.660 hours/ns 2.106 steps/s 2024-05-09 09:14:00,527 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 295400 59080 162.43 8730.2 17803 -9072.6 -9072.6 15.102 15.068 6.9889 1.3522e+05 2024-05-09 09:14:39,531 INFO [main.py:798]
{rank 0/64} MD step = 295500 step time: 00:00:00.383142 Performance: 36.385 ns/day 0.660 hours/ns 2.106 steps/s 2024-05-09 09:14:46,592 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 295500 59100 163.03 8705.6 17869 -9163 -9163 15.107 15.074 6.9899 1.3526e+05 2024-05-09 09:15:25,706 INFO [main.py:798]
{rank 0/64} MD step = 295600 step time: 00:00:00.394322 Performance: 36.385 ns/day 0.660 hours/ns 2.106 steps/s 2024-05-09 09:15:34,675 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 295600 59120 160.32 8337 17571 -9234.2 -9234.2 15.111 15.079 6.9918 1.3529e+05 2024-05-09 09:16:12,538 INFO [main.py:798]
{rank 0/64} MD step = 295700 step time: 00:00:00.394306 Performance: 36.385 ns/day 0.660 hours/ns 2.106 steps/s 2024-05-09 09:16:19,544 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 295700 59140 160.47 8349.3 17588 -9238.2 -9238.2 15.117 15.083 6.9933 1.3536e+05 2024-05-09 09:16:59,640 INFO [main.py:798]
{rank 0/64} MD step = 295800 step time: 00:00:00.417404 Performance: 36.385 ns/day 0.660 hours/ns 2.106 steps/s 2024-05-09 09:17:06,372 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 295800 59160 160.25 8430.6 17564 -9133.5 -9133.5 15.123 15.09 6.9958 1.354e+05 2024-05-09 09:17:45,402 INFO [main.py:798]
{rank 0/64} MD step = 295900 step time: 00:00:00.414792 Performance: 36.386 ns/day 0.660 hours/ns 2.106 steps/s 2024-05-09 09:17:54,516 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 295900 59180 158.7 8135.7 17394 -9257.9 -9257.9 15.128 15.095 6.9989 1.3545e+05 2024-05-09 09:18:32,586 INFO [main.py:798]
{rank 0/64} MD step = 296000 step time: 00:00:00.400456 Performance: 36.386 ns/day 0.660 hours/ns 2.106 steps/s 2024-05-09 09:18:39,814 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296000 59200 157.73 8038.7 17288 -9249 -9249 15.133 15.1 7.0016 1.3552e+05 2024-05-09 09:19:18,222 INFO [main.py:798]
{rank 0/64} MD step = 296100 step time: 00:00:00.406429 Performance: 36.386 ns/day 0.660 hours/ns 2.106 steps/s 2024-05-09 09:19:25,572 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296100 59220 160.43 8300.1 17583 -9282.7 -9282.7 15.137 15.104 7.003 1.3557e+05 2024-05-09 09:20:04,961 INFO [main.py:798]
{rank 0/64} MD step = 296200 step time: 00:00:00.430252 Performance: 36.387 ns/day 0.660 hours/ns 2.106 steps/s 2024-05-09 09:20:12,206 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296200 59240 160.21 8374.2 17560 -9185.4 -9185.4 15.141 15.111 7.0072 1.3559e+05 2024-05-09 09:20:52,132 INFO [main.py:798]
{rank 0/64} MD step = 296300 step time: 00:00:00.412289 Performance: 36.387 ns/day 0.660 hours/ns 2.106 steps/s 2024-05-09 09:20:58,916 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296300 59260 159.08 8211.4 17435 -9224.1 -9224.1 15.146 15.116 7.0096 1.3564e+05 2024-05-09 09:21:37,770 INFO [main.py:798]
{rank 0/64} MD step = 296400 step time: 00:00:00.381558 Performance: 36.387 ns/day 0.660 hours/ns 2.106 steps/s 2024-05-09 09:21:45,493 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296400 59280 158.55 8092.1 17377 -9285.2 -9285.2 15.15 15.121 7.0122 1.3571e+05 2024-05-09 09:22:24,596 INFO [main.py:798]
{rank 0/64} MD step = 296500 step time: 00:00:00.429786 Performance: 36.387 ns/day 0.660 hours/ns 2.106 steps/s 2024-05-09 09:22:31,228 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296500 59300 159.04 8095.6 17430 -9334.9 -9334.9 15.157 15.129 7.0138 1.3574e+05 2024-05-09 09:23:11,015 INFO [main.py:798]
{rank 0/64} MD step = 296600 step time: 00:00:00.389070 Performance: 36.388 ns/day 0.660 hours/ns 2.106 steps/s 2024-05-09 09:23:16,633 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296600 59320 160.63 8461.1 17606 -9144.5 -9144.5 15.161 15.132 7.0184 1.3581e+05 2024-05-09 09:23:54,955 INFO [main.py:798]
{rank 0/64} MD step = 296700 step time: 00:00:00.394489 Performance: 36.389 ns/day 0.660 hours/ns 2.106 steps/s 2024-05-09 09:24:01,712 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296700 59340 160.03 8320.3 17540 -9219.3 -9219.3 15.164 15.136 7.0192 1.3582e+05 2024-05-09 09:24:39,886 INFO [main.py:798]
{rank 0/64} MD step = 296800 step time: 00:00:00.384252 Performance: 36.389 ns/day 0.660 hours/ns 2.106 steps/s 2024-05-09 09:24:48,278 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296800 59360 159.91 8389.6 17526 -9136.4 -9136.4 15.169 15.141 7.0225 1.3586e+05 2024-05-09 09:25:27,569 INFO [main.py:798]
{rank 0/64} MD step = 296900 step time: 00:00:00.399974 Performance: 36.389 ns/day 0.660 hours/ns 2.106 steps/s 2024-05-09 09:25:34,415 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 296900 59380 160.55 8379.1 17597 -9217.5 -9217.5 15.173 15.146 7.0245 1.3588e+05 2024-05-09 09:26:12,652 INFO [main.py:798]
{rank 0/64} MD step = 297000 step time: 00:00:00.403755 Performance: 36.390 ns/day 0.660 hours/ns 2.106 steps/s 2024-05-09 09:26:18,737 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297000 59400 160.2 8349.6 17558 -9208.9 -9208.9 15.178 15.151 7.028 1.3595e+05 2024-05-09 09:26:57,139 INFO [main.py:798]
{rank 0/64} MD step = 297100 step time: 00:00:00.381015 Performance: 36.391 ns/day 0.660 hours/ns 2.106 steps/s 2024-05-09 09:27:04,444 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297100 59420 160.63 8476 17605 -9129.4 -9129.4 15.183 15.157 7.0278 1.36e+05 2024-05-09 09:27:43,823 INFO [main.py:798]
{rank 0/64} MD step = 297200 step time: 00:00:00.387487 Performance: 36.391 ns/day 0.660 hours/ns 2.106 steps/s 2024-05-09 09:27:51,465 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297200 59440 161.77 8554.5 17730 -9175.8 -9175.8 15.187 15.162 7.0295 1.3605e+05 2024-05-09 09:28:30,014 INFO [main.py:798]
{rank 0/64} MD step = 297300 step time: 00:00:00.388653 Performance: 36.391 ns/day 0.660 hours/ns 2.106 steps/s 2024-05-09 09:28:37,655 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297300 59460 160.78 8455.6 17622 -9166.3 -9166.3 15.192 15.168 7.0302 1.3611e+05 2024-05-09 09:29:16,615 INFO [main.py:798]
{rank 0/64} MD step = 297400 step time: 00:00:00.389017 Performance: 36.391 ns/day 0.659 hours/ns 2.106 steps/s 2024-05-09 09:29:24,400 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297400 59480 160.63 8341.5 17605 -9263.6 -9263.6 15.197 15.174 7.0318 1.3612e+05 2024-05-09 09:30:02,418 INFO [main.py:798]
{rank 0/64} MD step = 297500 step time: 00:00:00.379020 Performance: 36.392 ns/day 0.659 hours/ns 2.106 steps/s 2024-05-09 09:30:08,853 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297500 59500 160.26 8356.2 17564 -9208 -9208 15.201 15.181 7.033 1.362e+05 2024-05-09 09:30:46,527 INFO [main.py:798]
{rank 0/64} MD step = 297600 step time: 00:00:00.385190 Performance: 36.393 ns/day 0.659 hours/ns 2.106 steps/s 2024-05-09 09:30:53,941 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297600 59520 160 8271.5 17536 -9264.3 -9264.3 15.205 15.184 7.0361 1.3623e+05 2024-05-09 09:31:31,912 INFO [main.py:798]
{rank 0/64} MD step = 297700 step time: 00:00:00.366505 Performance: 36.393 ns/day 0.659 hours/ns 2.106 steps/s 2024-05-09 09:31:39,232 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297700 59540 159.58 8094.7 17490 -9395.1 -9395.1 15.211 15.189 7.0383 1.3626e+05 2024-05-09 09:32:17,262 INFO [main.py:798]
{rank 0/64} MD step = 297800 step time: 00:00:00.365281 Performance: 36.394 ns/day 0.659 hours/ns 2.106 steps/s 2024-05-09 09:32:24,188 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297800 59560 161.34 8539.1 17683 -9143.8 -9143.8 15.218 15.194 7.0407 1.363e+05 2024-05-09 09:33:03,924 INFO [main.py:798]
{rank 0/64} MD step = 297900 step time: 00:00:00.394450 Performance: 36.394 ns/day 0.659 hours/ns 2.106 steps/s 2024-05-09 09:33:11,856 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 297900 59580 159.6 8312.5 17492 -9179.7 -9179.7 15.222 15.198 7.0441 1.3634e+05 2024-05-09 09:33:48,924 INFO [main.py:798]
{rank 0/64} MD step = 298000 step time: 00:00:00.385968 Performance: 36.395 ns/day 0.659 hours/ns 2.106 steps/s 2024-05-09 09:33:59,896 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 298000 59600 160.51 8355.2 17592 -9236.8 -9236.8 15.227 15.202 7.0469 1.3637e+05 2024-05-09 09:34:37,777 INFO [main.py:798]
{rank 0/64} MD step = 298100 step time: 00:00:00.394122 Performance: 36.394 ns/day 0.659 hours/ns 2.106 steps/s 2024-05-09 09:34:44,155 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 298100 59620 163.21 8863.1 17889 -9025.4 -9025.4 15.233 15.207 7.0506 1.3643e+05 2024-05-09 09:35:24,334 INFO [main.py:798]
{rank 0/64} MD step = 298200 step time: 00:00:00.412472 Performance: 36.394 ns/day 0.659 hours/ns 2.106 steps/s 2024-05-09 09:35:32,199 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 298200 59640 160.91 8396.7 17636 -9239.6 -9239.6 15.238 15.21 7.0534 1.3644e+05 2024-05-09 09:36:11,023 INFO [main.py:798]
{rank 0/64} MD step = 298300 step time: 00:00:00.387674 Performance: 36.395 ns/day 0.659 hours/ns 2.106 steps/s 2024-05-09 09:36:16,648 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 298300 59660 157.48 8177.9 17260 -9082.6 -9082.6 15.242 15.215 7.057 1.3654e+05 2024-05-09 09:36:57,585 INFO [main.py:798]
{rank 0/64} MD step = 298400 step time: 00:00:00.604224 Performance: 36.395 ns/day 0.659 hours/ns 2.106 steps/s 2024-05-09 09:37:03,793 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 298400 59680 158.17 8054.8 17335 -9280.5 -9280.5 15.247 15.218 7.059 1.3651e+05 2024-05-09 09:37:42,444 INFO [main.py:798]
{rank 0/64} MD step = 298500 step time: 00:00:00.382468 Performance: 36.396 ns/day 0.659 hours/ns 2.106 steps/s 2024-05-09 09:37:47,738 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 298500 59700 163.27 8766.3 17895 -9128.2 -9128.2 15.25 15.223 7.0614 1.3661e+05 2024-05-09 09:38:27,609 INFO [main.py:798]
{rank 0/64} MD step = 298600 step time: 00:00:00.397043 Performance: 36.396 ns/day 0.659 hours/ns 2.106 steps/s 2024-05-09 09:38:34,029 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 298600 59720 159.79 8362.6 17513 -9150.6 -9150.6 15.255 15.231 7.0639 1.3664e+05 2024-05-09 09:39:13,899 INFO [main.py:798]
{rank 0/64} MD step = 298700 step time: 00:00:00.393312 Performance: 36.396 ns/day 0.659 hours/ns 2.106 steps/s 2024-05-09 09:39:19,809 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 298700 59740 157.4 8084.1 17251 -9167.1 -9167.1 15.261 15.237 7.0679 1.3668e+05 2024-05-09 09:39:58,563 INFO [main.py:798]
{rank 0/64} MD step = 298800 step time: 00:00:00.391416 Performance: 36.397 ns/day 0.659 hours/ns 2.106 steps/s 2024-05-09 09:40:04,444 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 298800 59760 161.03 8337.2 17649 -9312.1 -9312.1 15.267 15.244 7.0718 1.367e+05 2024-05-09 09:40:44,165 INFO [main.py:798]
{rank 0/64} MD step = 298900 step time: 00:00:00.375395 Performance: 36.398 ns/day 0.659 hours/ns 2.106 steps/s 2024-05-09 09:40:51,884 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 298900 59780 159.39 8241.5 17469 -9227.7 -9227.7 15.27 15.25 7.0737 1.3675e+05 2024-05-09 09:41:31,780 INFO [main.py:798]
{rank 0/64} MD step = 299000 step time: 00:00:00.363192 Performance: 36.398 ns/day 0.659 hours/ns 2.106 steps/s 2024-05-09 09:41:37,995 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299000 59800 161.57 8536.1 17709 -9172.5 -9172.5 15.276 15.254 7.0762 1.368e+05 2024-05-09 09:42:18,108 INFO [main.py:798]
{rank 0/64} MD step = 299100 step time: 00:00:00.368294 Performance: 36.398 ns/day 0.659 hours/ns 2.106 steps/s 2024-05-09 09:42:24,599 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299100 59820 160.9 8474.4 17635 -9160.6 -9160.6 15.283 15.258 7.0803 1.3686e+05 2024-05-09 09:43:02,663 INFO [main.py:798]
{rank 0/64} MD step = 299200 step time: 00:00:00.358437 Performance: 36.399 ns/day 0.659 hours/ns 2.106 steps/s 2024-05-09 09:43:09,088 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299200 59840 159.61 8265.6 17494 -9228.3 -9228.3 15.29 15.263 7.0828 1.3694e+05 2024-05-09 09:43:46,487 INFO [main.py:798]
{rank 0/64} MD step = 299300 step time: 00:00:00.373990 Performance: 36.400 ns/day 0.659 hours/ns 2.106 steps/s 2024-05-09 09:43:56,020 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299300 59860 160.35 8399.4 17575 -9175.4 -9175.4 15.293 15.268 7.0847 1.3693e+05 2024-05-09 09:44:35,000 INFO [main.py:798]
{rank 0/64} MD step = 299400 step time: 00:00:00.366538 Performance: 36.399 ns/day 0.659 hours/ns 2.106 steps/s 2024-05-09 09:44:42,456 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299400 59880 162.47 8628.7 17807 -9177.8 -9177.8 15.298 15.274 7.0873 1.3697e+05 2024-05-09 09:45:21,320 INFO [main.py:798]
{rank 0/64} MD step = 299500 step time: 00:00:00.374847 Performance: 36.400 ns/day 0.659 hours/ns 2.106 steps/s 2024-05-09 09:45:28,283 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299500 59900 157.24 8049.7 17234 -9183.9 -9183.9 15.303 15.279 7.0896 1.3702e+05 2024-05-09 09:46:06,866 INFO [main.py:798]
{rank 0/64} MD step = 299600 step time: 00:00:00.417828 Performance: 36.400 ns/day 0.659 hours/ns 2.106 steps/s 2024-05-09 09:46:11,705 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299600 59920 161.98 8600.2 17753 -9152.8 -9152.8 15.309 15.284 7.0911 1.3709e+05 2024-05-09 09:46:52,818 INFO [main.py:798]
{rank 0/64} MD step = 299700 step time: 00:00:00.364214 Performance: 36.401 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 09:46:59,011 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299700 59940 159.42 8252.9 17473 -9220.2 -9220.2 15.315 15.289 7.094 1.3716e+05 2024-05-09 09:47:36,778 INFO [main.py:798]
{rank 0/64} MD step = 299800 step time: 00:00:00.375259 Performance: 36.401 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 09:47:41,002 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299800 59960 161.21 8508.7 17668 -9159.7 -9159.7 15.319 15.294 7.0978 1.3717e+05 2024-05-09 09:48:21,633 INFO [main.py:798]
{rank 0/64} MD step = 299900 step time: 00:00:00.363804 Performance: 36.402 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 09:48:27,745 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 299900 59980 158.05 8094.7 17323 -9227.9 -9227.9 15.326 15.298 7.0999 1.3723e+05 2024-05-09 09:49:07,835 INFO [main.py:798]
{rank 0/64} MD step = 300000 step time: 00:00:00.353421 Performance: 36.402 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 09:49:14,087 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300000 60000 161.47 8525.4 17697 -9171.6 -9171.6 15.329 15.303 7.1032 1.3728e+05 2024-05-09 09:49:51,471 INFO [main.py:798]
{rank 0/64} MD step = 300100 step time: 00:00:00.377570 Performance: 36.403 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 09:49:59,336 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300100 60020 159.14 8200.6 17441 -9240.9 -9240.9 15.334 15.309 7.1065 1.3734e+05 2024-05-09 09:50:38,054 INFO [main.py:798]
{rank 0/64} MD step = 300200 step time: 00:00:00.370092 Performance: 36.404 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 09:50:48,556 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300200 60040 159.53 8140.9 17485 -9343.8 -9343.8 15.338 15.316 7.1067 1.3737e+05 2024-05-09 09:51:27,559 INFO [main.py:798]
{rank 0/64} MD step = 300300 step time: 00:00:00.398526 Performance: 36.403 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 09:51:32,370 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300300 60060 161.42 8513.7 17692 -9178.5 -9178.5 15.344 15.321 7.1095 1.3743e+05 2024-05-09 09:52:12,141 INFO [main.py:798]
{rank 0/64} MD step = 300400 step time: 00:00:00.378053 Performance: 36.404 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 09:52:26,174 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300400 60080 157.89 8001.9 17305 -9302.7 -9302.7 15.349 15.326 7.1116 1.3743e+05 2024-05-09 09:53:04,640 INFO [main.py:798]
{rank 0/64} MD step = 300500 step time: 00:00:00.394647 Performance: 36.403 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 09:53:11,315 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300500 60100 160.57 8388.7 17598 -9209.5 -9209.5 15.353 15.329 7.1142 1.3745e+05 2024-05-09 09:53:51,504 INFO [main.py:798]
{rank 0/64} MD step = 300600 step time: 00:00:00.385096 Performance: 36.403 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 09:53:58,687 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300600 60120 160.22 8306.3 17560 -9253.7 -9253.7 15.358 15.334 7.1166 1.3753e+05 2024-05-09 09:54:36,823 INFO [main.py:798]
{rank 0/64} MD step = 300700 step time: 00:00:00.376550 Performance: 36.403 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 09:54:43,712 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300700 60140 160.18 8459.6 17556 -9096 -9096 15.363 15.338 7.1177 1.3758e+05 2024-05-09 09:55:23,045 INFO [main.py:798]
{rank 0/64} MD step = 300800 step time: 00:00:00.356598 Performance: 36.404 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 09:55:29,683 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300800 60160 159.2 8201.6 17448 -9246.7 -9246.7 15.367 15.343 7.1188 1.3758e+05 2024-05-09 09:56:07,135 INFO [main.py:798]
{rank 0/64} MD step = 300900 step time: 00:00:00.333597 Performance: 36.404 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 09:56:14,077 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 300900 60180 159.5 8305.1 17482 -9176.8 -9176.8 15.372 15.349 7.1198 1.3764e+05 2024-05-09 09:56:53,472 INFO [main.py:798]
{rank 0/64} MD step = 301000 step time: 00:00:00.343059 Performance: 36.405 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 09:57:00,392 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301000 60200 161.33 8415 17682 -9267 -9267 15.376 15.355 7.1229 1.3765e+05 2024-05-09 09:57:39,493 INFO [main.py:798]
{rank 0/64} MD step = 301100 step time: 00:00:00.338804 Performance: 36.405 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 09:57:46,462 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301100 60220 159.74 8317.9 17508 -9189.8 -9189.8 15.382 15.359 7.1262 1.377e+05 2024-05-09 09:58:26,481 INFO [main.py:798]
{rank 0/64} MD step = 301200 step time: 00:00:00.350841 Performance: 36.405 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 09:58:34,838 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301200 60240 158.83 8273.4 17408 -9135 -9135 15.387 15.365 7.1302 1.3777e+05 2024-05-09 09:59:14,626 INFO [main.py:798]
{rank 0/64} MD step = 301300 step time: 00:00:00.339739 Performance: 36.405 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 09:59:21,233 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301300 60260 161.3 8529.1 17678 -9149.1 -9149.1 15.394 15.37 7.1326 1.3778e+05 2024-05-09 09:59:59,888 INFO [main.py:798]
{rank 0/64} MD step = 301400 step time: 00:00:00.349798 Performance: 36.406 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 10:00:06,824 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301400 60280 160.73 8418.1 17617 -9198.4 -9198.4 15.399 15.375 7.1374 1.3784e+05 2024-05-09 10:00:45,793 INFO [main.py:798]
{rank 0/64} MD step = 301500 step time: 00:00:00.370984 Performance: 36.406 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 10:00:51,992 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301500 60300 159.69 8222.9 17502 -9279.2 -9279.2 15.405 15.38 7.14 1.3788e+05 2024-05-09 10:01:32,110 INFO [main.py:798]
{rank 0/64} MD step = 301600 step time: 00:00:00.362897 Performance: 36.406 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 10:01:38,224 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301600 60320 161.28 8448.7 17677 -9227.9 -9227.9 15.409 15.385 7.1422 1.3795e+05 2024-05-09 10:02:16,065 INFO [main.py:798]
{rank 0/64} MD step = 301700 step time: 00:00:00.369260 Performance: 36.407 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 10:02:23,844 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301700 60340 160.96 8324.4 17642 -9317.5 -9317.5 15.415 15.391 7.1442 1.3799e+05 2024-05-09 10:03:03,106 INFO [main.py:798]
{rank 0/64} MD step = 301800 step time: 00:00:00.356340 Performance: 36.407 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 10:03:10,765 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301800 60360 160.01 8421.8 17537 -9115.4 -9115.4 15.418 15.397 7.1457 1.3804e+05 2024-05-09 10:03:48,946 INFO [main.py:798]
{rank 0/64} MD step = 301900 step time: 00:00:00.377435 Performance: 36.408 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 10:03:56,405 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 301900 60380 159.75 8423 17509 -9085.7 -9085.7 15.422 15.401 7.1469 1.3811e+05 2024-05-09 10:04:34,892 INFO [main.py:798]
{rank 0/64} MD step = 302000 step time: 00:00:00.382132 Performance: 36.408 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 10:04:45,925 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 302000 60400 159.09 8290.7 17437 -9146.3 -9146.3 15.428 15.407 7.1503 1.3815e+05 2024-05-09 10:05:23,027 INFO [main.py:798]
{rank 0/64} MD step = 302100 step time: 00:00:00.385976 Performance: 36.408 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 10:05:30,270 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 302100 60420 161.76 8464 17729 -9265.1 -9265.1 15.431 15.411 7.1523 1.382e+05 2024-05-09 10:06:08,838 INFO [main.py:798]
{rank 0/64} MD step = 302200 step time: 00:00:00.427129 Performance: 36.408 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 10:06:15,068 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 302200 60440 159.56 8221.9 17488 -9266.4 -9266.4 15.436 15.417 7.1542 1.3823e+05 2024-05-09 10:07:06,458 INFO [main.py:798]
{rank 0/64} MD step = 302300 step time: 00:00:00.407467 Performance: 36.406 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 10:07:14,022 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 302300 60460 161.05 8498.3 17651 -9152.7 -9152.7 15.442 15.422 7.1557 1.3828e+05 2024-05-09 10:07:52,445 INFO [main.py:798]
{rank 0/64} MD step = 302400 step time: 00:00:00.387899 Performance: 36.406 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 10:07:57,523 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 302400 60480 161.78 8464.9 17731 -9266.4 -9266.4 15.447 15.427 7.1578 1.3832e+05 2024-05-09 10:08:36,884 INFO [main.py:798]
{rank 0/64} MD step = 302500 step time: 00:00:00.412218 Performance: 36.407 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 10:08:44,355 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 302500 60500 160.65 8380.6 17608 -9227.2 -9227.2 15.451 15.431 7.1616 1.3835e+05 2024-05-09 10:09:23,310 INFO [main.py:798]
{rank 0/64} MD step = 302600 step time: 00:00:00.390077 Performance: 36.407 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 10:09:30,299 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 302600 60520 163.16 8707.1 17883 -9175.9 -9175.9 15.455 15.437 7.165 1.3843e+05 2024-05-09 10:10:07,931 INFO [main.py:798]
{rank 0/64} MD step = 302700 step time: 00:00:00.371898 Performance: 36.408 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 10:10:13,943 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 302700 60540 158.98 8160.7 17424 -9263.8 -9263.8 15.459 15.443 7.1662 1.3846e+05 2024-05-09 10:10:51,798 INFO [main.py:798]
{rank 0/64} MD step = 302800 step time: 00:00:00.391042 Performance: 36.409 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 10:10:57,903 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 302800 60560 161.78 8554.2 17731 -9176.6 -9176.6 15.464 15.45 7.1695 1.3853e+05 2024-05-09 10:11:36,387 INFO [main.py:798]
{rank 0/64} MD step = 302900 step time: 00:00:00.391271 Performance: 36.410 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 10:11:44,990 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 302900 60580 156.86 8073.9 17192 -9118.4 -9118.4 15.468 15.456 7.1716 1.3857e+05 2024-05-09 10:12:23,681 INFO [main.py:798]
{rank 0/64} MD step = 303000 step time: 00:00:00.394562 Performance: 36.410 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 10:12:30,767 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 303000 60600 161.56 8394.2 17707 -9312.6 -9312.6 15.472 15.46 7.1727 1.386e+05 2024-05-09 10:13:09,468 INFO [main.py:798]
{rank 0/64} MD step = 303100 step time: 00:00:00.373862 Performance: 36.410 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 10:13:15,133 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 303100 60620 158.64 8030.8 17387 -9355.8 -9355.8 15.475 15.467 7.1748 1.3862e+05 2024-05-09 10:13:54,405 INFO [main.py:798]
{rank 0/64} MD step = 303200 step time: 00:00:00.377254 Performance: 36.411 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 10:14:00,779 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 303200 60640 156.46 7944.2 17149 -9204.5 -9204.5 15.481 15.471 7.1795 1.3867e+05 2024-05-09 10:14:39,654 INFO [main.py:798]
{rank 0/64} MD step = 303300 step time: 00:00:00.400882 Performance: 36.411 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 10:14:46,435 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 303300 60660 159.33 8368.3 17462 -9094 -9094 15.485 15.478 7.1812 1.3873e+05 2024-05-09 10:15:25,515 INFO [main.py:798]
{rank 0/64} MD step = 303400 step time: 00:00:00.385664 Performance: 36.412 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 10:15:34,930 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 303400 60680 161.95 8526.3 17750 -9223.6 -9223.6 15.49 15.482 7.182 1.3876e+05 2024-05-09 10:16:12,575 INFO [main.py:798]
{rank 0/64} MD step = 303500 step time: 00:00:00.383302 Performance: 36.412 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 10:16:18,964 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 303500 60700 160.28 8432.8 17567 -9134.1 -9134.1 15.494 15.488 7.1856 1.3879e+05 2024-05-09 10:16:57,901 INFO [main.py:798]
{rank 0/64} MD step = 303600 step time: 00:00:00.383943 Performance: 36.412 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 10:17:05,341 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 303600 60720 161.18 8455.8 17666 -9209.7 -9209.7 15.499 15.492 7.1903 1.3883e+05 2024-05-09 10:17:45,852 INFO [main.py:798]
{rank 0/64} MD step = 303700 step time: 00:00:00.381846 Performance: 36.412 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 10:17:52,734 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 303700 60740 160.45 8377.1 17585 -9208 -9208 15.504 15.497 7.1919 1.3888e+05 2024-05-09 10:18:30,930 INFO [main.py:798]
{rank 0/64} MD step = 303800 step time: 00:00:00.392252 Performance: 36.413 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 10:18:37,637 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 303800 60760 159.41 8206 17471 -9265.4 -9265.4 15.51 15.502 7.1941 1.3891e+05 2024-05-09 10:19:16,122 INFO [main.py:798]
{rank 0/64} MD step = 303900 step time: 00:00:00.388381 Performance: 36.413 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 10:19:23,868 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 303900 60780 158.68 8188.1 17391 -9203 -9203 15.515 15.506 7.1968 1.3899e+05 2024-05-09 10:20:02,434 INFO [main.py:798]
{rank 0/64} MD step = 304000 step time: 00:00:00.400814 Performance: 36.414 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 10:20:09,307 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304000 60800 159.35 8335.1 17465 -9129.8 -9129.8 15.52 15.512 7.1963 1.3905e+05 2024-05-09 10:20:47,810 INFO [main.py:798]
{rank 0/64} MD step = 304100 step time: 00:00:00.396702 Performance: 36.414 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 10:20:53,783 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304100 60820 158.59 8121.3 17381 -9259.9 -9259.9 15.526 15.516 7.1989 1.3908e+05 2024-05-09 10:21:34,553 INFO [main.py:798]
{rank 0/64} MD step = 304200 step time: 00:00:00.380403 Performance: 36.414 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 10:21:40,719 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304200 60840 159.75 8276.8 17509 -9232 -9232 15.53 15.521 7.2005 1.3912e+05 2024-05-09 10:22:18,489 INFO [main.py:798]
{rank 0/64} MD step = 304300 step time: 00:00:00.362601 Performance: 36.415 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 10:22:24,802 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304300 60860 160.35 8322.3 17574 -9252 -9252 15.535 15.526 7.202 1.3916e+05 2024-05-09 10:23:05,758 INFO [main.py:798]
{rank 0/64} MD step = 304400 step time: 00:00:00.348236 Performance: 36.415 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 10:23:13,005 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304400 60880 158.91 8200.8 17417 -9216.2 -9216.2 15.54 15.532 7.2069 1.3924e+05 2024-05-09 10:23:51,004 INFO [main.py:798]
{rank 0/64} MD step = 304500 step time: 00:00:00.358924 Performance: 36.416 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 10:24:01,133 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304500 60900 159.87 8301.7 17522 -9220.3 -9220.3 15.546 15.537 7.2083 1.3928e+05 2024-05-09 10:24:38,595 INFO [main.py:798]
{rank 0/64} MD step = 304600 step time: 00:00:00.385762 Performance: 36.416 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 10:24:46,178 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304600 60920 159.37 8275.7 17467 -9191.1 -9191.1 15.552 15.54 7.2117 1.3934e+05 2024-05-09 10:25:25,164 INFO [main.py:798]
{rank 0/64} MD step = 304700 step time: 00:00:00.395807 Performance: 36.416 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 10:25:34,004 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304700 60940 160.1 8417.8 17547 -9129 -9129 15.558 15.547 7.2147 1.3936e+05 2024-05-09 10:26:11,942 INFO [main.py:798]
{rank 0/64} MD step = 304800 step time: 00:00:00.387336 Performance: 36.416 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 10:26:18,931 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304800 60960 161.21 8467.5 17669 -9201 -9201 15.564 15.552 7.2182 1.3939e+05 2024-05-09 10:26:57,466 INFO [main.py:798]
{rank 0/64} MD step = 304900 step time: 00:00:00.395765 Performance: 36.417 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 10:27:05,247 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 304900 60980 160.54 8496.7 17596 -9098.9 -9098.9 15.571 15.557 7.2211 1.3944e+05 2024-05-09 10:27:43,284 INFO [main.py:798]
{rank 0/64} MD step = 305000 step time: 00:00:00.406975 Performance: 36.417 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 10:27:47,978 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 305000 61000 159.01 8228.6 17428 -9199.4 -9199.4 15.576 15.561 7.2232 1.3951e+05 2024-05-09 10:28:28,165 INFO [main.py:798]
{rank 0/64} MD step = 305100 step time: 00:00:00.385531 Performance: 36.418 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:28:37,412 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 305100 61020 157.38 8186 17249 -9062.9 -9062.9 15.582 15.568 7.2255 1.3958e+05 2024-05-09 10:29:17,587 INFO [main.py:798]
{rank 0/64} MD step = 305200 step time: 00:00:00.415432 Performance: 36.417 ns/day 0.659 hours/ns 2.107 steps/s 2024-05-09 10:29:24,597 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 305200 61040 160.5 8491.9 17591 -9098.9 -9098.9 15.586 15.573 7.2274 1.3959e+05 2024-05-09 10:30:02,430 INFO [main.py:798]
{rank 0/64} MD step = 305300 step time: 00:00:00.390131 Performance: 36.418 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:30:08,555 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 305300 61060 160.54 8363.4 17596 -9232.3 -9232.3 15.591 15.578 7.2286 1.3964e+05 2024-05-09 10:30:47,809 INFO [main.py:798]
{rank 0/64} MD step = 305400 step time: 00:00:00.401472 Performance: 36.418 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:30:54,016 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 305400 61080 157.61 8019.3 17275 -9255.2 -9255.2 15.594 15.582 7.2314 1.3969e+05 2024-05-09 10:31:32,792 INFO [main.py:798]
{rank 0/64} MD step = 305500 step time: 00:00:00.410372 Performance: 36.419 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:31:38,519 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 305500 61100 162.3 8514.4 17788 -9273.9 -9273.9 15.598 15.588 7.2343 1.3971e+05 2024-05-09 10:32:17,579 INFO [main.py:798]
{rank 0/64} MD step = 305600 step time: 00:00:00.406529 Performance: 36.420 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:32:23,058 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 305600 61120 159.36 8254.6 17466 -9211.5 -9211.5 15.604 15.591 7.2358 1.3977e+05 2024-05-09 10:33:01,242 INFO [main.py:798]
{rank 0/64} MD step = 305700 step time: 00:00:00.402051 Performance: 36.421 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:33:07,750 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 305700 61140 158.85 8282.4 17410 -9128.1 -9128.1 15.607 15.596 7.2384 1.3978e+05 2024-05-09 10:33:45,822 INFO [main.py:798]
{rank 0/64} MD step = 305800 step time: 00:00:00.389777 Performance: 36.421 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:33:52,886 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 305800 61160 159.37 8337.5 17467 -9129.2 -9129.2 15.611 15.599 7.2422 1.3985e+05 2024-05-09 10:34:30,678 INFO [main.py:798]
{rank 0/64} MD step = 305900 step time: 00:00:00.410691 Performance: 36.422 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:34:38,285 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 305900 61180 159.16 8261.7 17444 -9182.5 -9182.5 15.616 15.604 7.2454 1.3987e+05 2024-05-09 10:35:17,386 INFO [main.py:798]
{rank 0/64} MD step = 306000 step time: 00:00:00.403906 Performance: 36.422 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:35:23,213 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 306000 61200 158.67 8101.8 17391 -9289.1 -9289.1 15.621 15.609 7.2478 1.3988e+05 2024-05-09 10:36:03,074 INFO [main.py:798]
{rank 0/64} MD step = 306100 step time: 00:00:00.386679 Performance: 36.423 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:36:09,438 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 306100 61220 161.64 8542.2 17716 -9174.1 -9174.1 15.628 15.617 7.251 1.3998e+05 2024-05-09 10:36:47,950 INFO [main.py:798]
{rank 0/64} MD step = 306200 step time: 00:00:00.397356 Performance: 36.423 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:36:55,355 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 306200 61240 161.9 8683.1 17745 -9061.8 -9061.8 15.633 15.622 7.2515 1.3999e+05 2024-05-09 10:37:34,003 INFO [main.py:798]
{rank 0/64} MD step = 306300 step time: 00:00:00.391572 Performance: 36.424 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:37:43,430 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 306300 61260 160.28 8260 17567 -9306.9 -9306.9 15.638 15.628 7.2527 1.4002e+05 2024-05-09 10:38:21,492 INFO [main.py:798]
{rank 0/64} MD step = 306400 step time: 00:00:00.375436 Performance: 36.424 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:38:27,712 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 306400 61280 161.15 8400.7 17662 -9261.4 -9261.4 15.644 15.63 7.2556 1.4006e+05 2024-05-09 10:39:07,112 INFO [main.py:798]
{rank 0/64} MD step = 306500 step time: 00:00:00.394543 Performance: 36.424 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:39:13,248 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 306500 61300 159.27 8220 17456 -9236 -9236 15.649 15.635 7.2588 1.401e+05 2024-05-09 10:39:51,646 INFO [main.py:798]
{rank 0/64} MD step = 306600 step time: 00:00:00.402342 Performance: 36.425 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:39:58,153 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 306600 61320 159.55 8368.5 17487 -9118.4 -9118.4 15.655 15.64 7.2612 1.4018e+05 2024-05-09 10:40:36,397 INFO [main.py:798]
{rank 0/64} MD step = 306700 step time: 00:00:00.382838 Performance: 36.425 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:40:43,894 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 306700 61340 160.7 8448.9 17612 -9163.5 -9163.5 15.66 15.644 7.2634 1.4025e+05 2024-05-09 10:41:22,467 INFO [main.py:798]
{rank 0/64} MD step = 306800 step time: 00:00:00.402104 Performance: 36.426 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:41:35,218 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 306800 61360 160.57 8390.5 17599 -9208.7 -9208.7 15.667 15.65 7.264 1.4027e+05 2024-05-09 10:42:16,445 INFO [main.py:798]
{rank 0/64} MD step = 306900 step time: 00:00:00.413487 Performance: 36.424 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:42:24,488 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 306900 61380 158.87 8198.4 17412 -9213.6 -9213.6 15.675 15.657 7.2662 1.403e+05 2024-05-09 10:43:02,952 INFO [main.py:798]
{rank 0/64} MD step = 307000 step time: 00:00:00.393792 Performance: 36.424 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:43:09,577 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 307000 61400 159.66 8309.3 17499 -9189.7 -9189.7 15.68 15.662 7.2683 1.4035e+05 2024-05-09 10:43:48,254 INFO [main.py:798]
{rank 0/64} MD step = 307100 step time: 00:00:00.380885 Performance: 36.425 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:43:56,351 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 307100 61420 161.34 8453.8 17683 -9229.3 -9229.3 15.685 15.668 7.2712 1.4041e+05 2024-05-09 10:44:34,754 INFO [main.py:798]
{rank 0/64} MD step = 307200 step time: 00:00:00.387984 Performance: 36.425 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:44:42,281 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 307200 61440 159.37 8209.2 17467 -9257.4 -9257.4 15.692 15.673 7.2745 1.4043e+05 2024-05-09 10:45:20,690 INFO [main.py:798]
{rank 0/64} MD step = 307300 step time: 00:00:00.388460 Performance: 36.425 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:45:27,655 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 307300 61460 160.76 8250.8 17620 -9368.9 -9368.9 15.697 15.678 7.2774 1.4048e+05 2024-05-09 10:46:06,664 INFO [main.py:798]
{rank 0/64} MD step = 307400 step time: 00:00:00.407393 Performance: 36.426 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:46:13,222 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 307400 61480 161.59 8618.4 17710 -9091.5 -9091.5 15.702 15.683 7.279 1.4055e+05 2024-05-09 10:46:51,742 INFO [main.py:798]
{rank 0/64} MD step = 307500 step time: 00:00:00.411259 Performance: 36.426 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:46:57,617 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 307500 61500 161.36 8368.7 17685 -9316.3 -9316.3 15.708 15.688 7.281 1.4055e+05 2024-05-09 10:47:35,903 INFO [main.py:798]
{rank 0/64} MD step = 307600 step time: 00:00:00.402576 Performance: 36.427 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:47:43,712 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 307600 61520 160.18 8425.2 17556 -9131.2 -9131.2 15.714 15.692 7.2841 1.4061e+05 2024-05-09 10:48:22,990 INFO [main.py:798]
{rank 0/64} MD step = 307700 step time: 00:00:00.386107 Performance: 36.427 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:48:29,302 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 307700 61540 158.63 8338 17386 -9048.2 -9048.2 15.718 15.696 7.2864 1.4068e+05 2024-05-09 10:49:07,431 INFO [main.py:798]
{rank 0/64} MD step = 307800 step time: 00:00:00.383736 Performance: 36.428 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:49:13,365 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 307800 61560 159.99 8304.6 17535 -9230.4 -9230.4 15.723 15.701 7.2891 1.407e+05 2024-05-09 10:49:52,155 INFO [main.py:798]
{rank 0/64} MD step = 307900 step time: 00:00:00.415321 Performance: 36.429 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:49:58,793 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 307900 61580 160.83 8438.9 17628 -9188.7 -9188.7 15.728 15.705 7.2904 1.4077e+05 2024-05-09 10:50:38,043 INFO [main.py:798]
{rank 0/64} MD step = 308000 step time: 00:00:00.402100 Performance: 36.429 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:50:45,345 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 308000 61600 160.34 8442.9 17573 -9130.5 -9130.5 15.733 15.71 7.2934 1.4081e+05 2024-05-09 10:51:23,398 INFO [main.py:798]
{rank 0/64} MD step = 308100 step time: 00:00:00.386777 Performance: 36.430 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:51:31,057 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 308100 61620 160.14 8337.6 17551 -9213.6 -9213.6 15.738 15.715 7.2964 1.4083e+05 2024-05-09 10:52:09,301 INFO [main.py:798]
{rank 0/64} MD step = 308200 step time: 00:00:00.421225 Performance: 36.430 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:52:16,655 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 308200 61640 160.95 8424.5 17640 -9215.3 -9215.3 15.744 15.72 7.2982 1.4086e+05 2024-05-09 10:52:55,746 INFO [main.py:798]
{rank 0/64} MD step = 308300 step time: 00:00:00.384972 Performance: 36.430 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:53:02,596 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 308300 61660 160.13 8345.5 17551 -9205.2 -9205.2 15.749 15.724 7.3014 1.4091e+05 2024-05-09 10:53:40,651 INFO [main.py:798]
{rank 0/64} MD step = 308400 step time: 00:00:00.392726 Performance: 36.431 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:53:58,153 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 308400 61680 160.82 8585.1 17626 -9040.5 -9040.5 15.754 15.728 7.3036 1.4095e+05 2024-05-09 10:54:36,167 INFO [main.py:798]
{rank 0/64} MD step = 308500 step time: 00:00:00.418249 Performance: 36.429 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:54:43,933 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 308500 61700 158.28 8101.6 17347 -9245.8 -9245.8 15.762 15.731 7.3067 1.41e+05 2024-05-09 10:55:22,841 INFO [main.py:798]
{rank 0/64} MD step = 308600 step time: 00:00:00.399455 Performance: 36.429 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:55:30,977 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 308600 61720 162.64 8597.9 17826 -9228.1 -9228.1 15.766 15.738 7.31 1.4108e+05 2024-05-09 10:56:10,685 INFO [main.py:798]
{rank 0/64} MD step = 308700 step time: 00:00:00.369041 Performance: 36.429 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:56:21,912 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 308700 61740 159.75 8474.1 17508 -9034.2 -9034.2 15.771 15.74 7.3146 1.4114e+05 2024-05-09 10:57:03,035 INFO [main.py:798]
{rank 0/64} MD step = 308800 step time: 00:00:00.405618 Performance: 36.428 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:57:11,348 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 308800 61760 160.28 8350.4 17567 -9217 -9217 15.778 15.744 7.3153 1.4114e+05 2024-05-09 10:57:50,533 INFO [main.py:798]
{rank 0/64} MD step = 308900 step time: 00:00:00.378932 Performance: 36.428 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:57:58,340 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 308900 61780 160.87 8547 17631 -9084.3 -9084.3 15.784 15.746 7.3165 1.412e+05 2024-05-09 10:58:36,639 INFO [main.py:798]
{rank 0/64} MD step = 309000 step time: 00:00:00.372393 Performance: 36.428 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:58:44,284 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 309000 61800 161.39 8508.6 17688 -9179.8 -9179.8 15.791 15.75 7.3174 1.4128e+05 2024-05-09 10:59:23,764 INFO [main.py:798]
{rank 0/64} MD step = 309100 step time: 00:00:00.386843 Performance: 36.428 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 10:59:30,946 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 309100 61820 161.78 8552.9 17732 -9178.7 -9178.7 15.795 15.756 7.3194 1.4132e+05 2024-05-09 11:00:08,866 INFO [main.py:798]
{rank 0/64} MD step = 309200 step time: 00:00:00.349642 Performance: 36.429 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 11:00:16,828 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 309200 61840 160.11 8295.1 17548 -9252.8 -9252.8 15.801 15.759 7.322 1.4136e+05 2024-05-09 11:00:55,320 INFO [main.py:798]
{rank 0/64} MD step = 309300 step time: 00:00:00.373693 Performance: 36.429 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 11:01:03,875 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 309300 61860 157.28 8056.6 17239 -9181.9 -9181.9 15.808 15.764 7.3247 1.4139e+05 2024-05-09 11:01:42,248 INFO [main.py:798]
{rank 0/64} MD step = 309400 step time: 00:00:00.387658 Performance: 36.429 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 11:01:49,883 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 309400 61880 161.08 8460.7 17655 -9194 -9194 15.812 15.769 7.3256 1.4145e+05 2024-05-09 11:02:29,662 INFO [main.py:798]
{rank 0/64} MD step = 309500 step time: 00:00:00.361253 Performance: 36.429 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 11:02:35,858 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 309500 61900 158.42 8085.1 17364 -9278.4 -9278.4 15.817 15.774 7.3273 1.4147e+05 2024-05-09 11:03:13,801 INFO [main.py:798]
{rank 0/64} MD step = 309600 step time: 00:00:00.363467 Performance: 36.430 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 11:03:21,001 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 309600 61920 158.51 8123.2 17373 -9249.9 -9249.9 15.822 15.777 7.3302 1.4149e+05 2024-05-09 11:04:03,463 INFO [main.py:798]
{rank 0/64} MD step = 309700 step time: 00:00:00.371725 Performance: 36.429 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 11:04:14,364 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 309700 61940 162.92 8686.8 17856 -9169.1 -9169.1 15.828 15.783 7.3289 1.4154e+05 2024-05-09 11:04:52,502 INFO [main.py:798]
{rank 0/64} MD step = 309800 step time: 00:00:00.364317 Performance: 36.429 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 11:05:00,152 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 309800 61960 160.75 8253.1 17619 -9365.6 -9365.6 15.83 15.786 7.3314 1.4156e+05 2024-05-09 11:05:38,455 INFO [main.py:798]
{rank 0/64} MD step = 309900 step time: 00:00:00.412022 Performance: 36.429 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 11:05:47,574 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 309900 61980 159.64 8331.8 17497 -9165.3 -9165.3 15.835 15.791 7.3318 1.4164e+05 2024-05-09 11:06:25,053 INFO [main.py:798]
{rank 0/64} MD step = 310000 step time: 00:00:00.393783 Performance: 36.430 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 11:06:29,575 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310000 62000 162.68 8575.6 17830 -9254.6 -9254.6 15.839 15.798 7.3352 1.4167e+05 2024-05-09 11:07:10,660 INFO [main.py:798]
{rank 0/64} MD step = 310100 step time: 00:00:00.399685 Performance: 36.430 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 11:07:18,968 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310100 62020 161.41 8496 17690 -9194.5 -9194.5 15.844 15.802 7.3364 1.4176e+05 2024-05-09 11:07:56,640 INFO [main.py:798]
{rank 0/64} MD step = 310200 step time: 00:00:00.419203 Performance: 36.430 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 11:08:04,358 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310200 62040 160.03 8412 17539 -9127.2 -9127.2 15.848 15.807 7.3415 1.418e+05 2024-05-09 11:08:44,231 INFO [main.py:798]
{rank 0/64} MD step = 310300 step time: 00:00:00.394691 Performance: 36.430 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 11:08:51,154 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310300 62060 158.99 8221.4 17425 -9203.9 -9203.9 15.853 15.812 7.3439 1.4183e+05 2024-05-09 11:09:30,027 INFO [main.py:798]
{rank 0/64} MD step = 310400 step time: 00:00:00.373301 Performance: 36.431 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 11:09:37,378 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310400 62080 161.41 8544.5 17691 -9146.2 -9146.2 15.858 15.819 7.3462 1.419e+05 2024-05-09 11:10:20,909 INFO [main.py:798]
{rank 0/64} MD step = 310500 step time: 00:00:00.382235 Performance: 36.430 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 11:10:30,225 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310500 62100 161.67 8626.3 17719 -9092.7 -9092.7 15.862 15.824 7.3481 1.4194e+05 2024-05-09 11:11:08,609 INFO [main.py:798]
{rank 0/64} MD step = 310600 step time: 00:00:00.393141 Performance: 36.430 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 11:11:13,825 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310600 62120 161.12 8429.4 17659 -9229.9 -9229.9 15.868 15.831 7.3494 1.4199e+05 2024-05-09 11:11:51,893 INFO [main.py:798]
{rank 0/64} MD step = 310700 step time: 00:00:00.406787 Performance: 36.431 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 11:11:58,801 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310700 62140 157.76 8091 17291 -9199.8 -9199.8 15.873 15.836 7.353 1.4203e+05 2024-05-09 11:12:35,597 INFO [main.py:798]
{rank 0/64} MD step = 310800 step time: 00:00:00.363585 Performance: 36.432 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 11:12:42,479 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310800 62160 161.15 8429.3 17662 -9232.4 -9232.4 15.877 15.841 7.3545 1.4206e+05 2024-05-09 11:13:20,452 INFO [main.py:798]
{rank 0/64} MD step = 310900 step time: 00:00:00.377419 Performance: 36.432 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 11:13:28,560 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 310900 62180 159.13 8225 17441 -9215.9 -9215.9 15.883 15.846 7.3577 1.4212e+05 2024-05-09 11:14:06,843 INFO [main.py:798]
{rank 0/64} MD step = 311000 step time: 00:00:00.414938 Performance: 36.433 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 11:14:14,531 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311000 62200 162.41 8500.8 17800 -9299.4 -9299.4 15.89 15.851 7.3608 1.4216e+05 2024-05-09 11:14:52,365 INFO [main.py:798]
{rank 0/64} MD step = 311100 step time: 00:00:00.374090 Performance: 36.433 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 11:14:59,823 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311100 62220 161.32 8440.8 17680 -9239.7 -9239.7 15.895 15.855 7.3648 1.4216e+05 2024-05-09 11:15:38,074 INFO [main.py:798]
{rank 0/64} MD step = 311200 step time: 00:00:00.396692 Performance: 36.434 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 11:15:46,221 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311200 62240 162.29 8595.1 17788 -9192.6 -9192.6 15.899 15.862 7.3674 1.4222e+05 2024-05-09 11:16:25,018 INFO [main.py:798]
{rank 0/64} MD step = 311300 step time: 00:00:00.411187 Performance: 36.434 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 11:16:35,711 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311300 62260 161.01 8542.8 17647 -9104.2 -9104.2 15.902 15.867 7.3723 1.4228e+05 2024-05-09 11:17:17,214 INFO [main.py:798]
{rank 0/64} MD step = 311400 step time: 00:00:00.414986 Performance: 36.433 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 11:17:25,064 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311400 62280 159.31 8282.7 17461 -9178.4 -9178.4 15.907 15.874 7.3756 1.4231e+05 2024-05-09 11:18:03,832 INFO [main.py:798]
{rank 0/64} MD step = 311500 step time: 00:00:00.393408 Performance: 36.433 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 11:18:11,588 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311500 62300 159.92 8374.6 17528 -9153.3 -9153.3 15.912 15.879 7.3757 1.4237e+05 2024-05-09 11:18:47,900 INFO [main.py:798]
{rank 0/64} MD step = 311600 step time: 00:00:00.371386 Performance: 36.434 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 11:18:54,972 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311600 62320 159.43 8225.9 17473 -9247.4 -9247.4 15.918 15.884 7.3763 1.4242e+05 2024-05-09 11:19:33,070 INFO [main.py:798]
{rank 0/64} MD step = 311700 step time: 00:00:00.408547 Performance: 36.434 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 11:19:39,867 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311700 62340 158.83 8162.6 17408 -9245.2 -9245.2 15.923 15.89 7.3796 1.4244e+05 2024-05-09 11:20:18,288 INFO [main.py:798]
{rank 0/64} MD step = 311800 step time: 00:00:00.418014 Performance: 36.435 ns/day 0.659 hours/ns 2.108 steps/s 2024-05-09 11:20:25,583 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311800 62360 161.37 8490.4 17686 -9196 -9196 15.928 15.896 7.3828 1.4249e+05 2024-05-09 11:21:04,031 INFO [main.py:798]
{rank 0/64} MD step = 311900 step time: 00:00:00.387198 Performance: 36.435 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:21:11,354 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 311900 62380 158.64 8119 17388 -9268.7 -9268.7 15.933 15.902 7.3844 1.4254e+05 2024-05-09 11:21:50,276 INFO [main.py:798]
{rank 0/64} MD step = 312000 step time: 00:00:00.401420 Performance: 36.435 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:21:57,677 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312000 62400 159.58 8444.2 17490 -9045.9 -9045.9 15.938 15.906 7.3865 1.4258e+05 2024-05-09 11:22:36,369 INFO [main.py:798]
{rank 0/64} MD step = 312100 step time: 00:00:00.399004 Performance: 36.436 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:22:43,737 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312100 62420 159.06 8274.2 17434 -9159.4 -9159.4 15.944 15.911 7.3889 1.4262e+05 2024-05-09 11:23:22,451 INFO [main.py:798]
{rank 0/64} MD step = 312200 step time: 00:00:00.424418 Performance: 36.436 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:23:33,755 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312200 62440 159.47 8406.1 17478 -9072.3 -9072.3 15.951 15.916 7.3907 1.4265e+05 2024-05-09 11:24:12,188 INFO [main.py:798]
{rank 0/64} MD step = 312300 step time: 00:00:00.378266 Performance: 36.435 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:24:18,400 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312300 62460 163.13 8625.4 17880 -9254.3 -9254.3 15.957 15.921 7.3928 1.4268e+05 2024-05-09 11:24:56,475 INFO [main.py:798]
{rank 0/64} MD step = 312400 step time: 00:00:00.404728 Performance: 36.436 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:25:03,715 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312400 62480 160.11 8373.8 17548 -9174.4 -9174.4 15.962 15.926 7.3966 1.4274e+05 2024-05-09 11:25:42,980 INFO [main.py:798]
{rank 0/64} MD step = 312500 step time: 00:00:00.374092 Performance: 36.436 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:25:49,469 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312500 62500 162.77 8713.9 17840 -9125.8 -9125.8 15.968 15.93 7.3993 1.4277e+05 2024-05-09 11:26:28,331 INFO [main.py:798]
{rank 0/64} MD step = 312600 step time: 00:00:00.401367 Performance: 36.437 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:26:36,445 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312600 62520 161.6 8664.3 17711 -9047 -9047 15.972 15.936 7.4004 1.4281e+05 2024-05-09 11:27:14,198 INFO [main.py:798]
{rank 0/64} MD step = 312700 step time: 00:00:00.406546 Performance: 36.437 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:27:21,479 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312700 62540 160.05 8381.5 17542 -9160.5 -9160.5 15.977 15.941 7.4033 1.4285e+05 2024-05-09 11:27:59,390 INFO [main.py:798]
{rank 0/64} MD step = 312800 step time: 00:00:00.389149 Performance: 36.438 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:28:10,790 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312800 62560 159.66 8351.7 17499 -9147.2 -9147.2 15.981 15.947 7.4052 1.4289e+05 2024-05-09 11:28:49,788 INFO [main.py:798]
{rank 0/64} MD step = 312900 step time: 00:00:00.387659 Performance: 36.437 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:28:56,755 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 312900 62580 158.9 8274.9 17415 -9140.3 -9140.3 15.988 15.953 7.4071 1.4292e+05 2024-05-09 11:29:34,978 INFO [main.py:798]
{rank 0/64} MD step = 313000 step time: 00:00:00.395561 Performance: 36.438 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:29:41,477 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 313000 62600 158.43 8247.8 17364 -9116.5 -9116.5 15.993 15.957 7.4087 1.4298e+05 2024-05-09 11:30:19,883 INFO [main.py:798]
{rank 0/64} MD step = 313100 step time: 00:00:00.406321 Performance: 36.438 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:30:24,041 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 313100 62620 159.89 8298.6 17525 -9226 -9226 15.998 15.962 7.4113 1.4301e+05 2024-05-09 11:31:03,745 INFO [main.py:798]
{rank 0/64} MD step = 313200 step time: 00:00:00.401447 Performance: 36.439 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:31:10,034 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 313200 62640 158.18 8126.1 17336 -9210.4 -9210.4 16.005 15.967 7.4139 1.4305e+05 2024-05-09 11:31:49,206 INFO [main.py:798]
{rank 0/64} MD step = 313300 step time: 00:00:00.408166 Performance: 36.440 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:32:01,861 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 313300 62660 162.46 8612.6 17806 -9193.5 -9193.5 16.011 15.972 7.4155 1.4312e+05 2024-05-09 11:32:40,578 INFO [main.py:798]
{rank 0/64} MD step = 313400 step time: 00:00:00.383092 Performance: 36.439 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:32:47,428 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 313400 62680 158.04 8041.6 17322 -9280.2 -9280.2 16.014 15.979 7.4179 1.4316e+05 2024-05-09 11:33:25,025 INFO [main.py:798]
{rank 0/64} MD step = 313500 step time: 00:00:00.394145 Performance: 36.439 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:33:37,249 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 313500 62700 160.32 8244.7 17571 -9326.4 -9326.4 16.02 15.985 7.4209 1.4319e+05 2024-05-09 11:34:15,838 INFO [main.py:798]
{rank 0/64} MD step = 313600 step time: 00:00:00.386096 Performance: 36.439 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:34:23,300 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 313600 62720 161.55 8464.9 17706 -9240.9 -9240.9 16.024 15.991 7.4231 1.4324e+05 2024-05-09 11:35:01,619 INFO [main.py:798]
{rank 0/64} MD step = 313700 step time: 00:00:00.392882 Performance: 36.439 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:35:09,871 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 313700 62740 157.65 8119.2 17278 -9159.1 -9159.1 16.028 15.995 7.4256 1.4327e+05 2024-05-09 11:35:47,730 INFO [main.py:798]
{rank 0/64} MD step = 313800 step time: 00:00:00.399681 Performance: 36.439 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:35:55,640 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 313800 62760 158.87 8277.2 17413 -9135.6 -9135.6 16.033 16.001 7.4282 1.433e+05 2024-05-09 11:36:32,628 INFO [main.py:798]
{rank 0/64} MD step = 313900 step time: 00:00:00.368097 Performance: 36.440 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:36:39,869 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 313900 62780 159.31 8279.1 17461 -9181.7 -9181.7 16.039 16.004 7.4303 1.4336e+05 2024-05-09 11:37:18,660 INFO [main.py:798]
{rank 0/64} MD step = 314000 step time: 00:00:00.398388 Performance: 36.440 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:37:24,900 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314000 62800 160.7 8323.7 17613 -9289.5 -9289.5 16.044 16.008 7.4322 1.4338e+05 2024-05-09 11:38:03,196 INFO [main.py:798]
{rank 0/64} MD step = 314100 step time: 00:00:00.367560 Performance: 36.441 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:38:18,081 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314100 62820 158.9 8310.1 17415 -9105.1 -9105.1 16.05 16.014 7.4343 1.4344e+05 2024-05-09 11:38:57,467 INFO [main.py:798]
{rank 0/64} MD step = 314200 step time: 00:00:00.392971 Performance: 36.439 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:39:08,689 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314200 62840 160.2 8409.9 17558 -9148 -9148 16.055 16.02 7.4379 1.4346e+05 2024-05-09 11:39:49,094 INFO [main.py:798]
{rank 0/64} MD step = 314300 step time: 00:00:00.362380 Performance: 36.438 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:39:58,438 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314300 62860 160.18 8328.3 17556 -9227.3 -9227.3 16.058 16.024 7.4383 1.4353e+05 2024-05-09 11:40:37,823 INFO [main.py:798]
{rank 0/64} MD step = 314400 step time: 00:00:00.378457 Performance: 36.438 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:40:48,799 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314400 62880 160.05 8385 17542 -9156.6 -9156.6 16.063 16.028 7.4415 1.4357e+05 2024-05-09 11:41:27,384 INFO [main.py:798]
{rank 0/64} MD step = 314500 step time: 00:00:00.391412 Performance: 36.437 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:41:36,017 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314500 62900 158.76 8253.8 17400 -9146.4 -9146.4 16.067 16.032 7.4452 1.4361e+05 2024-05-09 11:42:13,415 INFO [main.py:798]
{rank 0/64} MD step = 314600 step time: 00:00:00.349659 Performance: 36.438 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:42:20,367 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314600 62920 157.7 8114.6 17284 -9169.6 -9169.6 16.073 16.035 7.4488 1.4364e+05 2024-05-09 11:42:58,430 INFO [main.py:798]
{rank 0/64} MD step = 314700 step time: 00:00:00.366241 Performance: 36.438 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:43:06,198 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314700 62940 160.17 8362.2 17555 -9193.1 -9193.1 16.076 16.039 7.4498 1.437e+05 2024-05-09 11:43:44,962 INFO [main.py:798]
{rank 0/64} MD step = 314800 step time: 00:00:00.408010 Performance: 36.439 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:43:51,237 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314800 62960 160.18 8358.1 17556 -9197.7 -9197.7 16.082 16.043 7.4509 1.4374e+05 2024-05-09 11:44:30,346 INFO [main.py:798]
{rank 0/64} MD step = 314900 step time: 00:00:00.367509 Performance: 36.439 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:44:37,811 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 314900 62980 160.49 8329.8 17590 -9259.8 -9259.8 16.087 16.049 7.4543 1.438e+05 2024-05-09 11:45:15,959 INFO [main.py:798]
{rank 0/64} MD step = 315000 step time: 00:00:00.381358 Performance: 36.440 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:45:23,653 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 315000 63000 159.73 8296.7 17506 -9209.7 -9209.7 16.091 16.053 7.4556 1.4382e+05 2024-05-09 11:46:02,208 INFO [main.py:798]
{rank 0/64} MD step = 315100 step time: 00:00:00.385134 Performance: 36.440 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:46:09,690 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 315100 63020 160.08 8401.4 17544 -9143 -9143 16.097 16.057 7.4596 1.4387e+05 2024-05-09 11:46:51,317 INFO [main.py:798]
{rank 0/64} MD step = 315200 step time: 00:00:00.387329 Performance: 36.439 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:46:57,148 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 315200 63040 158.26 8168.9 17346 -9176.7 -9176.7 16.103 16.062 7.4618 1.4394e+05 2024-05-09 11:47:35,980 INFO [main.py:798]
{rank 0/64} MD step = 315300 step time: 00:00:00.359984 Performance: 36.440 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:47:42,453 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 315300 63060 159.53 8362 17484 -9122.4 -9122.4 16.11 16.066 7.4649 1.4399e+05 2024-05-09 11:48:20,465 INFO [main.py:798]
{rank 0/64} MD step = 315400 step time: 00:00:00.338626 Performance: 36.441 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:48:25,401 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 315400 63080 162.39 8596.3 17798 -9201.7 -9201.7 16.117 16.072 7.4661 1.4402e+05 2024-05-09 11:49:04,827 INFO [main.py:798]
{rank 0/64} MD step = 315500 step time: 00:00:00.366709 Performance: 36.442 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:49:10,721 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 315500 63100 159.71 8361.7 17505 -9142.9 -9142.9 16.121 16.076 7.4677 1.4409e+05 2024-05-09 11:49:49,992 INFO [main.py:798]
{rank 0/64} MD step = 315600 step time: 00:00:00.377653 Performance: 36.442 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:50:02,320 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 315600 63120 159.14 8241.4 17442 -9200.3 -9200.3 16.124 16.08 7.4696 1.4411e+05 2024-05-09 11:50:41,247 INFO [main.py:798]
{rank 0/64} MD step = 315700 step time: 00:00:00.377023 Performance: 36.441 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:50:51,641 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 315700 63140 161.39 8456.8 17689 -9232 -9232 16.129 16.085 7.4718 1.4418e+05 2024-05-09 11:51:29,777 INFO [main.py:798]
{rank 0/64} MD step = 315800 step time: 00:00:00.346115 Performance: 36.441 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:51:42,804 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 315800 63160 159.34 8182.4 17464 -9282 -9282 16.135 16.091 7.4743 1.4421e+05 2024-05-09 11:52:21,996 INFO [main.py:798]
{rank 0/64} MD step = 315900 step time: 00:00:00.423527 Performance: 36.440 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:52:27,055 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 315900 63180 157.2 8057.4 17229 -9171.6 -9171.6 16.139 16.094 7.4773 1.4427e+05 2024-05-09 11:53:06,788 INFO [main.py:798]
{rank 0/64} MD step = 316000 step time: 00:00:00.391531 Performance: 36.440 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:53:14,423 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316000 63200 159.54 8202.1 17486 -9284.1 -9284.1 16.144 16.1 7.4779 1.4428e+05 2024-05-09 11:53:52,576 INFO [main.py:798]
{rank 0/64} MD step = 316100 step time: 00:00:00.389899 Performance: 36.441 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:53:59,020 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316100 63220 159.49 8314.6 17481 -9165.9 -9165.9 16.149 16.105 7.4799 1.4434e+05 2024-05-09 11:54:38,881 INFO [main.py:798]
{rank 0/64} MD step = 316200 step time: 00:00:00.359644 Performance: 36.441 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:54:46,826 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316200 63240 158.36 8082.6 17357 -9274 -9274 16.154 16.11 7.4827 1.4439e+05 2024-05-09 11:55:34,618 INFO [main.py:798]
{rank 0/64} MD step = 316300 step time: 00:00:00.368644 Performance: 36.439 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:55:41,049 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316300 63260 164.03 8801.8 17977 -9175.6 -9175.6 16.159 16.115 7.4846 1.4445e+05 2024-05-09 11:56:18,938 INFO [main.py:798]
{rank 0/64} MD step = 316400 step time: 00:00:00.394256 Performance: 36.440 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:56:26,091 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316400 63280 159.82 8355.8 17517 -9160.8 -9160.8 16.166 16.12 7.4869 1.445e+05 2024-05-09 11:57:04,617 INFO [main.py:798]
{rank 0/64} MD step = 316500 step time: 00:00:00.386637 Performance: 36.440 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:57:11,144 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316500 63300 158.8 8068.3 17404 -9336.1 -9336.1 16.171 16.125 7.4878 1.4454e+05 2024-05-09 11:57:48,916 INFO [main.py:798]
{rank 0/64} MD step = 316600 step time: 00:00:00.376861 Performance: 36.441 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:57:57,231 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316600 63320 161.98 8510.9 17754 -9242.6 -9242.6 16.176 16.129 7.4906 1.4458e+05 2024-05-09 11:58:36,264 INFO [main.py:798]
{rank 0/64} MD step = 316700 step time: 00:00:00.401774 Performance: 36.441 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:58:42,814 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316700 63340 159.76 8495.9 17510 -9014.2 -9014.2 16.182 16.135 7.4934 1.4463e+05 2024-05-09 11:59:20,623 INFO [main.py:798]
{rank 0/64} MD step = 316800 step time: 00:00:00.380774 Performance: 36.442 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 11:59:26,903 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316800 63360 161.62 8615.3 17714 -9098.2 -9098.2 16.189 16.139 7.4956 1.4468e+05 2024-05-09 12:00:05,442 INFO [main.py:798]
{rank 0/64} MD step = 316900 step time: 00:00:00.383845 Performance: 36.442 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 12:00:13,233 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 316900 63380 157.88 8083.4 17304 -9220.8 -9220.8 16.192 16.144 7.4987 1.4468e+05 2024-05-09 12:00:51,385 INFO [main.py:798]
{rank 0/64} MD step = 317000 step time: 00:00:00.383601 Performance: 36.443 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 12:00:59,329 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317000 63400 158.22 8063.7 17341 -9277.1 -9277.1 16.198 16.147 7.4995 1.4473e+05 2024-05-09 12:01:37,764 INFO [main.py:798]
{rank 0/64} MD step = 317100 step time: 00:00:00.374142 Performance: 36.443 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 12:01:45,917 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317100 63420 159.47 8376.7 17478 -9101.5 -9101.5 16.203 16.154 7.501 1.4479e+05 2024-05-09 12:02:26,643 INFO [main.py:798]
{rank 0/64} MD step = 317200 step time: 00:00:00.411108 Performance: 36.443 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 12:02:33,758 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317200 63440 159.63 8327.5 17496 -9168 -9168 16.207 16.161 7.5035 1.448e+05 2024-05-09 12:03:11,866 INFO [main.py:798]
{rank 0/64} MD step = 317300 step time: 00:00:00.374921 Performance: 36.443 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 12:03:18,312 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317300 63460 158.42 8057.7 17363 -9305.4 -9305.4 16.212 16.166 7.5059 1.4485e+05 2024-05-09 12:03:56,072 INFO [main.py:798]
{rank 0/64} MD step = 317400 step time: 00:00:00.398468 Performance: 36.444 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 12:04:03,292 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317400 63480 161.17 8334.5 17664 -9329.6 -9329.6 16.216 16.171 7.5081 1.4489e+05 2024-05-09 12:04:42,085 INFO [main.py:798]
{rank 0/64} MD step = 317500 step time: 00:00:00.397736 Performance: 36.444 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 12:04:54,542 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317500 63500 158.85 8171.7 17410 -9238.7 -9238.7 16.222 16.175 7.5136 1.449e+05 2024-05-09 12:05:35,980 INFO [main.py:798]
{rank 0/64} MD step = 317600 step time: 00:00:00.443764 Performance: 36.443 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 12:05:42,015 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317600 63520 160.78 8493.2 17621 -9128.1 -9128.1 16.228 16.182 7.5162 1.4497e+05 2024-05-09 12:06:20,954 INFO [main.py:798]
{rank 0/64} MD step = 317700 step time: 00:00:00.388304 Performance: 36.443 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 12:06:27,920 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317700 63540 158.79 8195.1 17403 -9208.3 -9208.3 16.233 16.186 7.5174 1.4502e+05 2024-05-09 12:07:05,466 INFO [main.py:798]
{rank 0/64} MD step = 317800 step time: 00:00:00.390669 Performance: 36.444 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 12:07:12,150 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317800 63560 159.09 8247 17436 -9189.2 -9189.2 16.24 16.192 7.5208 1.4506e+05 2024-05-09 12:07:53,241 INFO [main.py:798]
{rank 0/64} MD step = 317900 step time: 00:00:00.398135 Performance: 36.444 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 12:07:57,692 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 317900 63580 160.78 8503 17622 -9118.7 -9118.7 16.244 16.197 7.5226 1.4511e+05 2024-05-09 12:08:37,279 INFO [main.py:798]
{rank 0/64} MD step = 318000 step time: 00:00:00.395466 Performance: 36.445 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 12:08:43,887 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318000 63600 157.75 8040.2 17289 -9249.1 -9249.1 16.25 16.2 7.5263 1.4516e+05 2024-05-09 12:09:23,192 INFO [main.py:798]
{rank 0/64} MD step = 318100 step time: 00:00:00.394064 Performance: 36.445 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 12:09:29,849 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318100 63620 159.99 8254.5 17535 -9280.1 -9280.1 16.253 16.204 7.5285 1.452e+05 2024-05-09 12:10:07,822 INFO [main.py:798]
{rank 0/64} MD step = 318200 step time: 00:00:00.403866 Performance: 36.446 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 12:10:14,552 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318200 63640 158.65 8253.7 17388 -9134.6 -9134.6 16.258 16.207 7.531 1.4527e+05 2024-05-09 12:10:53,606 INFO [main.py:798]
{rank 0/64} MD step = 318300 step time: 00:00:00.410001 Performance: 36.446 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 12:11:00,321 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318300 63660 163.14 8704.2 17880 -9175.9 -9175.9 16.263 16.213 7.5343 1.4529e+05 2024-05-09 12:11:38,465 INFO [main.py:798]
{rank 0/64} MD step = 318400 step time: 00:00:00.396985 Performance: 36.447 ns/day 0.658 hours/ns 2.109 steps/s 2024-05-09 12:11:45,544 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318400 63680 161.17 8491.2 17664 -9172.7 -9172.7 16.268 16.219 7.5373 1.4531e+05 2024-05-09 12:12:28,124 INFO [main.py:798]
{rank 0/64} MD step = 318500 step time: 00:00:00.369656 Performance: 36.446 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 12:12:35,181 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318500 63700 158.64 8210.9 17388 -9176.8 -9176.8 16.274 16.224 7.5401 1.4534e+05 2024-05-09 12:13:13,425 INFO [main.py:798]
{rank 0/64} MD step = 318600 step time: 00:00:00.402696 Performance: 36.447 ns/day 0.658 hours/ns 2.109 steps/s 2024-05-09 12:13:20,420 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318600 63720 158.33 8178.5 17353 -9174.7 -9174.7 16.279 16.228 7.5415 1.4539e+05 2024-05-09 12:14:00,041 INFO [main.py:798]
{rank 0/64} MD step = 318700 step time: 00:00:00.387775 Performance: 36.447 ns/day 0.658 hours/ns 2.109 steps/s 2024-05-09 12:14:07,272 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318700 63740 159.03 8347.5 17430 -9082.5 -9082.5 16.284 16.233 7.5447 1.4542e+05 2024-05-09 12:14:47,046 INFO [main.py:798]
{rank 0/64} MD step = 318800 step time: 00:00:00.419249 Performance: 36.447 ns/day 0.658 hours/ns 2.109 steps/s 2024-05-09 12:14:55,783 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318800 63760 160.57 8320 17599 -9278.9 -9278.9 16.288 16.239 7.5474 1.4544e+05 2024-05-09 12:15:34,849 INFO [main.py:798]
{rank 0/64} MD step = 318900 step time: 00:00:00.363797 Performance: 36.447 ns/day 0.658 hours/ns 2.109 steps/s 2024-05-09 12:15:44,675 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 318900 63780 159.03 8152.7 17430 -9277 -9277 16.294 16.245 7.5497 1.4552e+05 2024-05-09 12:16:23,511 INFO [main.py:798]
{rank 0/64} MD step = 319000 step time: 00:00:00.358183 Performance: 36.447 ns/day 0.658 hours/ns 2.109 steps/s 2024-05-09 12:16:36,751 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319000 63800 159.34 8361.9 17463 -9101.6 -9101.6 16.299 16.249 7.5515 1.4558e+05 2024-05-09 12:17:15,143 INFO [main.py:798]
{rank 0/64} MD step = 319100 step time: 00:00:00.405485 Performance: 36.446 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 12:17:23,423 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319100 63820 162.34 8635.6 17793 -9157.1 -9157.1 16.304 16.254 7.5518 1.4563e+05 2024-05-09 12:18:02,438 INFO [main.py:798]
{rank 0/64} MD step = 319200 step time: 00:00:00.407526 Performance: 36.446 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 12:18:09,758 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319200 63840 158.38 8068.2 17359 -9290.5 -9290.5 16.308 16.259 7.5544 1.4567e+05 2024-05-09 12:18:50,054 INFO [main.py:798]
{rank 0/64} MD step = 319300 step time: 00:00:00.404483 Performance: 36.446 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 12:18:57,719 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319300 63860 158.44 8086.2 17365 -9279.3 -9279.3 16.312 16.263 7.5567 1.4569e+05 2024-05-09 12:19:34,589 INFO [main.py:798]
{rank 0/64} MD step = 319400 step time: 00:00:00.347437 Performance: 36.446 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 12:19:42,277 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319400 63880 158.71 8140.5 17395 -9254.3 -9254.3 16.317 16.266 7.5613 1.4575e+05 2024-05-09 12:20:21,912 INFO [main.py:798]
{rank 0/64} MD step = 319500 step time: 00:00:00.354432 Performance: 36.446 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 12:20:30,095 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319500 63900 159.22 8207.4 17450 -9243 -9243 16.321 16.269 7.5623 1.458e+05 2024-05-09 12:21:09,681 INFO [main.py:798]
{rank 0/64} MD step = 319600 step time: 00:00:00.339742 Performance: 36.446 ns/day 0.659 hours/ns 2.109 steps/s 2024-05-09 12:21:15,287 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319600 63920 158.51 8260.9 17372 -9111.5 -9111.5 16.326 16.275 7.5639 1.4589e+05 2024-05-09 12:21:54,953 INFO [main.py:798]
{rank 0/64} MD step = 319700 step time: 00:00:00.398951 Performance: 36.447 ns/day 0.658 hours/ns 2.109 steps/s 2024-05-09 12:22:02,714 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319700 63940 156.77 8091.9 17182 -9089.9 -9089.9 16.33 16.281 7.5661 1.4596e+05 2024-05-09 12:22:41,383 INFO [main.py:798]
{rank 0/64} MD step = 319800 step time: 00:00:00.369544 Performance: 36.447 ns/day 0.658 hours/ns 2.109 steps/s 2024-05-09 12:22:48,992 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319800 63960 160.39 8256.3 17579 -9322.5 -9322.5 16.335 16.286 7.5701 1.4599e+05 2024-05-09 12:23:27,721 INFO [main.py:798]
{rank 0/64} MD step = 319900 step time: 00:00:00.382327 Performance: 36.447 ns/day 0.658 hours/ns 2.109 steps/s 2024-05-09 12:23:34,897 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 319900 63980 160.49 8476.7 17590 -9113.1 -9113.1 16.342 16.289 7.5742 1.4603e+05 2024-05-09 12:24:14,757 INFO [main.py:798]
{rank 0/64} MD step = 320000 step time: 00:00:00.390680 Performance: 36.447 ns/day 0.658 hours/ns 2.109 steps/s 2024-05-09 12:24:21,795 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 320000 64000 160.88 8361.5 17633 -9271.4 -9271.4 16.347 16.296 7.5758 1.4607e+05 2024-05-09 12:25:00,996 INFO [main.py:798]
{rank 0/64} MD step = 320100 step time: 00:00:00.383662 Performance: 36.448 ns/day 0.658 hours/ns 2.109 steps/s 2024-05-09 12:25:08,652 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 320100 64020 160.3 8374.9 17570 -9194.6 -9194.6 16.355 16.3 7.5786 1.4611e+05 2024-05-09 12:25:48,171 INFO [main.py:798]
{rank 0/64} MD step = 320200 step time: 00:00:00.386971 Performance: 36.448 ns/day 0.658 hours/ns 2.109 steps/s 2024-05-09 12:25:54,309 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 320200 64040 160.09 8316.6 17546 -9229.7 -9229.7 16.359 16.304 7.5795 1.4615e+05 2024-05-09 12:26:32,790 INFO [main.py:798]
{rank 0/64} MD step = 320300 step time: 00:00:00.376894 Performance: 36.448 ns/day 0.658 hours/ns 2.109 steps/s 2024-05-09 12:26:39,501 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 320300 64060 157.4 7965.5 17251 -9285.8 -9285.8 16.365 16.31 7.5817 1.4623e+05 2024-05-09 12:27:18,047 INFO [main.py:798]
{rank 0/64} MD step = 320400 step time: 00:00:00.375520 Performance: 36.449 ns/day 0.658 hours/ns 2.109 steps/s 2024-05-09 12:27:25,182 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 320400 64080 160.98 8448.8 17643 -9194.3 -9194.3 16.373 16.314 7.5834 1.4625e+05 2024-05-09 12:28:04,687 INFO [main.py:798]
{rank 0/64} MD step = 320500 step time: 00:00:00.380953 Performance: 36.449 ns/day 0.658 hours/ns 2.109 steps/s 2024-05-09 12:28:10,314 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 320500 64100 159.91 8357.8 17526 -9168.4 -9168.4 16.378 16.316 7.5864 1.4627e+05 2024-05-09 12:28:50,000 INFO [main.py:798]
{rank 0/64} MD step = 320600 step time: 00:00:00.344902 Performance: 36.449 ns/day 0.658 hours/ns 2.109 steps/s 2024-05-09 12:28:56,774 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 320600 64120 158.74 8262.9 17398 -9134.8 -9134.8 16.383 16.321 7.5882 1.4632e+05 2024-05-09 12:29:35,434 INFO [main.py:798]
{rank 0/64} MD step = 320700 step time: 00:00:00.363072 Performance: 36.450 ns/day 0.658 hours/ns 2.109 steps/s 2024-05-09 12:29:42,685 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 320700 64140 158.18 8155.6 17336 -9180.8 -9180.8 16.387 16.328 7.5893 1.4637e+05 2024-05-09 12:30:21,975 INFO [main.py:798]
{rank 0/64} MD step = 320800 step time: 00:00:00.397280 Performance: 36.450 ns/day 0.658 hours/ns 2.109 steps/s 2024-05-09 12:30:28,342 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 320800 64160 158.07 8186.5 17325 -9138.7 -9138.7 16.392 16.332 7.5913 1.4641e+05 2024-05-09 12:31:07,722 INFO [main.py:798]
{rank 0/64} MD step = 320900 step time: 00:00:00.364964 Performance: 36.451 ns/day 0.658 hours/ns 2.109 steps/s 2024-05-09 12:31:15,141 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 320900 64180 158.55 8217 17378 -9160.7 -9160.7 16.397 16.337 7.5932 1.4644e+05 2024-05-09 12:31:53,483 INFO [main.py:798]
{rank 0/64} MD step = 321000 step time: 00:00:00.369376 Performance: 36.451 ns/day 0.658 hours/ns 2.109 steps/s 2024-05-09 12:31:59,253 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 321000 64200 156.34 7868.4 17135 -9266.3 -9266.3 16.402 16.343 7.596 1.4651e+05 2024-05-09 12:32:38,927 INFO [main.py:798]
{rank 0/64} MD step = 321100 step time: 00:00:00.390860 Performance: 36.451 ns/day 0.658 hours/ns 2.109 steps/s 2024-05-09 12:32:44,611 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 321100 64220 158.89 8183.1 17414 -9231.4 -9231.4 16.408 16.35 7.5987 1.4651e+05 2024-05-09 12:33:22,962 INFO [main.py:798]
{rank 0/64} MD step = 321200 step time: 00:00:00.392729 Performance: 36.452 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 12:33:32,428 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 321200 64240 159.01 8187.6 17427 -9239.6 -9239.6 16.413 16.355 7.6006 1.4662e+05 2024-05-09 12:34:11,215 INFO [main.py:798]
{rank 0/64} MD step = 321300 step time: 00:00:00.423729 Performance: 36.452 ns/day 0.658 hours/ns 2.109 steps/s 2024-05-09 12:34:18,466 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 321300 64260 160.84 8353.6 17628 -9274.3 -9274.3 16.418 16.361 7.6032 1.4661e+05 2024-05-09 12:34:59,140 INFO [main.py:798]
{rank 0/64} MD step = 321400 step time: 00:00:00.368689 Performance: 36.452 ns/day 0.658 hours/ns 2.109 steps/s 2024-05-09 12:35:06,610 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 321400 64280 163.25 8643 17893 -9249.8 -9249.8 16.424 16.365 7.6055 1.4668e+05 2024-05-09 12:35:44,973 INFO [main.py:798]
{rank 0/64} MD step = 321500 step time: 00:00:00.429065 Performance: 36.452 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 12:35:51,330 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 321500 64300 161.1 8447.2 17656 -9209 -9209 16.43 16.371 7.6074 1.4673e+05 2024-05-09 12:36:29,936 INFO [main.py:798]
{rank 0/64} MD step = 321600 step time: 00:00:00.380093 Performance: 36.453 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 12:36:36,117 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 321600 64320 160.12 8368.4 17549 -9180.8 -9180.8 16.437 16.377 7.6097 1.4677e+05 2024-05-09 12:37:19,893 INFO [main.py:798]
{rank 0/64} MD step = 321700 step time: 00:00:00.405195 Performance: 36.452 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 12:37:26,352 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 321700 64340 159.77 8214.2 17511 -9296.5 -9296.5 16.441 16.385 7.6121 1.4681e+05 2024-05-09 12:38:04,161 INFO [main.py:798]
{rank 0/64} MD step = 321800 step time: 00:00:00.379901 Performance: 36.453 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 12:38:11,334 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 321800 64360 160.46 8359.6 17587 -9227.6 -9227.6 16.446 16.389 7.6135 1.4684e+05 2024-05-09 12:38:53,589 INFO [main.py:798]
{rank 0/64} MD step = 321900 step time: 00:00:00.369692 Performance: 36.453 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 12:39:00,618 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 321900 64380 162.49 8547.1 17809 -9261.6 -9261.6 16.451 16.396 7.6158 1.4685e+05 2024-05-09 12:39:37,975 INFO [main.py:798]
{rank 0/64} MD step = 322000 step time: 00:00:00.400536 Performance: 36.453 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 12:39:44,399 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 322000 64400 158.51 8158.8 17373 -9214.3 -9214.3 16.457 16.402 7.617 1.4693e+05 2024-05-09 12:40:23,544 INFO [main.py:798]
{rank 0/64} MD step = 322100 step time: 00:00:00.399128 Performance: 36.454 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 12:40:33,578 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 322100 64420 160.76 8423.8 17620 -9196.1 -9196.1 16.462 16.407 7.6183 1.47e+05 2024-05-09 12:41:11,850 INFO [main.py:798]
{rank 0/64} MD step = 322200 step time: 00:00:00.400466 Performance: 36.453 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 12:41:18,749 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 322200 64440 159.91 8367.5 17526 -9158.7 -9158.7 16.466 16.413 7.6203 1.4703e+05 2024-05-09 12:41:59,307 INFO [main.py:798]
{rank 0/64} MD step = 322300 step time: 00:00:00.389323 Performance: 36.453 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 12:42:04,904 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 322300 64460 160.03 8235.7 17539 -9303.7 -9303.7 16.471 16.418 7.6236 1.4706e+05 2024-05-09 12:42:43,366 INFO [main.py:798]
{rank 0/64} MD step = 322400 step time: 00:00:00.373086 Performance: 36.454 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 12:42:54,765 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 322400 64480 160.32 8417.1 17572 -9154.5 -9154.5 16.478 16.424 7.6271 1.471e+05 2024-05-09 12:43:33,624 INFO [main.py:798]
{rank 0/64} MD step = 322500 step time: 00:00:00.363634 Performance: 36.454 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 12:43:38,921 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 322500 64500 158.07 8122.9 17324 -9201.5 -9201.5 16.483 16.43 7.6297 1.4716e+05 2024-05-09 12:44:18,285 INFO [main.py:798]
{rank 0/64} MD step = 322600 step time: 00:00:00.381514 Performance: 36.454 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 12:44:24,994 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 322600 64520 161.01 8402.2 17647 -9245.2 -9245.2 16.488 16.436 7.6314 1.4719e+05 2024-05-09 12:45:03,404 INFO [main.py:798]
{rank 0/64} MD step = 322700 step time: 00:00:00.372161 Performance: 36.455 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 12:45:10,853 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 322700 64540 159.86 8495 17521 -9026.1 -9026.1 16.493 16.44 7.6335 1.4725e+05 2024-05-09 12:45:49,544 INFO [main.py:798]
{rank 0/64} MD step = 322800 step time: 00:00:00.412296 Performance: 36.455 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 12:45:58,106 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 322800 64560 159.67 8330.9 17500 -9168.8 -9168.8 16.499 16.445 7.6351 1.4729e+05 2024-05-09 12:46:36,632 INFO [main.py:798]
{rank 0/64} MD step = 322900 step time: 00:00:00.409559 Performance: 36.455 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 12:46:44,123 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 322900 64580 159.85 8299.5 17519 -9220 -9220 16.502 16.452 7.6384 1.4736e+05 2024-05-09 12:47:24,575 INFO [main.py:798]
{rank 0/64} MD step = 323000 step time: 00:00:00.391342 Performance: 36.455 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 12:47:30,086 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323000 64600 162.25 8601.7 17783 -9181.4 -9181.4 16.509 16.456 7.6404 1.474e+05 2024-05-09 12:48:10,410 INFO [main.py:798]
{rank 0/64} MD step = 323100 step time: 00:00:00.398118 Performance: 36.455 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 12:48:16,921 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323100 64620 159.82 8355.7 17516 -9160.6 -9160.6 16.513 16.46 7.6417 1.4746e+05 2024-05-09 12:48:56,444 INFO [main.py:798]
{rank 0/64} MD step = 323200 step time: 00:00:00.382582 Performance: 36.456 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 12:49:02,479 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323200 64640 158.45 8253.7 17366 -9112.2 -9112.2 16.518 16.465 7.6431 1.4751e+05 2024-05-09 12:49:41,682 INFO [main.py:798]
{rank 0/64} MD step = 323300 step time: 00:00:00.385008 Performance: 36.456 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 12:49:48,879 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323300 64660 161.25 8483.8 17673 -9188.9 -9188.9 16.523 16.47 7.6453 1.4758e+05 2024-05-09 12:50:27,647 INFO [main.py:798]
{rank 0/64} MD step = 323400 step time: 00:00:00.398118 Performance: 36.457 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 12:50:34,787 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323400 64680 160 8400.9 17536 -9135.3 -9135.3 16.531 16.473 7.6474 1.4763e+05 2024-05-09 12:51:13,559 INFO [main.py:798]
{rank 0/64} MD step = 323500 step time: 00:00:00.352655 Performance: 36.457 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 12:51:21,606 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323500 64700 159.39 8211.8 17469 -9257.2 -9257.2 16.535 16.477 7.6477 1.4764e+05 2024-05-09 12:52:00,321 INFO [main.py:798]
{rank 0/64} MD step = 323600 step time: 00:00:00.377205 Performance: 36.457 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 12:52:07,866 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323600 64720 160.91 8394.9 17636 -9240.8 -9240.8 16.542 16.481 7.6499 1.4768e+05 2024-05-09 12:52:46,011 INFO [main.py:798]
{rank 0/64} MD step = 323700 step time: 00:00:00.381457 Performance: 36.457 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 12:52:51,181 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323700 64740 163.28 8706.5 17896 -9189.2 -9189.2 16.546 16.488 7.6529 1.4773e+05 2024-05-09 12:53:31,798 INFO [main.py:798]
{rank 0/64} MD step = 323800 step time: 00:00:00.388404 Performance: 36.458 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 12:53:39,301 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323800 64760 160.89 8446.2 17634 -9187.5 -9187.5 16.552 16.494 7.653 1.478e+05 2024-05-09 12:54:17,879 INFO [main.py:798]
{rank 0/64} MD step = 323900 step time: 00:00:00.401534 Performance: 36.458 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 12:54:25,189 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 323900 64780 158.29 8212.8 17349 -9136.1 -9136.1 16.557 16.498 7.6542 1.4786e+05 2024-05-09 12:55:03,904 INFO [main.py:798]
{rank 0/64} MD step = 324000 step time: 00:00:00.389390 Performance: 36.459 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 12:55:14,926 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 324000 64800 158.02 8136.4 17319 -9182.9 -9182.9 16.561 16.501 7.656 1.4791e+05 2024-05-09 12:56:01,025 INFO [main.py:798]
{rank 0/64} MD step = 324100 step time: 00:00:00.399573 Performance: 36.456 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 12:56:11,425 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 324100 64820 161.21 8536.5 17669 -9132.7 -9132.7 16.566 16.507 7.6584 1.4798e+05 2024-05-09 12:56:50,189 INFO [main.py:798]
{rank 0/64} MD step = 324200 step time: 00:00:00.387801 Performance: 36.456 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 12:56:57,974 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 324200 64840 159.98 8414.1 17533 -9119.3 -9119.3 16.571 16.511 7.6618 1.4797e+05 2024-05-09 12:57:36,671 INFO [main.py:798]
{rank 0/64} MD step = 324300 step time: 00:00:00.413373 Performance: 36.456 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 12:57:43,908 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 324300 64860 159.99 8288.9 17535 -9245.8 -9245.8 16.576 16.517 7.6641 1.4801e+05 2024-05-09 12:58:22,307 INFO [main.py:798]
{rank 0/64} MD step = 324400 step time: 00:00:00.366628 Performance: 36.456 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 12:58:29,457 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 324400 64880 156.3 7897 17131 -9234 -9234 16.58 16.523 7.6666 1.4808e+05 2024-05-09 12:59:07,793 INFO [main.py:798]
{rank 0/64} MD step = 324500 step time: 00:00:00.386017 Performance: 36.457 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 12:59:17,951 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 324500 64900 162.39 8707.7 17798 -9089.9 -9089.9 16.586 16.528 7.6703 1.4811e+05 2024-05-09 12:59:58,866 INFO [main.py:798]
{rank 0/64} MD step = 324600 step time: 00:00:00.367151 Performance: 36.456 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:00:06,872 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 324600 64920 160.85 8470.4 17630 -9159.4 -9159.4 16.589 16.533 7.6717 1.4814e+05 2024-05-09 13:00:45,188 INFO [main.py:798]
{rank 0/64} MD step = 324700 step time: 00:00:00.414492 Performance: 36.456 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:00:51,009 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 324700 64940 160.93 8446.7 17638 -9191.5 -9191.5 16.594 16.536 7.673 1.482e+05 2024-05-09 13:01:29,582 INFO [main.py:798]
{rank 0/64} MD step = 324800 step time: 00:00:00.371211 Performance: 36.457 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:01:36,644 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 324800 64960 160.41 8388.3 17581 -9192.4 -9192.4 16.596 16.538 7.6765 1.4823e+05 2024-05-09 13:02:14,979 INFO [main.py:798]
{rank 0/64} MD step = 324900 step time: 00:00:00.376119 Performance: 36.457 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:02:21,251 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 324900 64980 161.56 8439.4 17707 -9268.1 -9268.1 16.6 16.542 7.6794 1.4826e+05 2024-05-09 13:03:01,528 INFO [main.py:798]
{rank 0/64} MD step = 325000 step time: 00:00:00.369849 Performance: 36.458 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:03:08,180 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 325000 65000 160.33 8293.3 17573 -9279.3 -9279.3 16.604 16.547 7.6822 1.4832e+05 2024-05-09 13:03:46,186 INFO [main.py:798]
{rank 0/64} MD step = 325100 step time: 00:00:00.383138 Performance: 36.458 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:03:55,723 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 325100 65020 161.95 8559.6 17750 -9190.8 -9190.8 16.609 16.552 7.6841 1.4837e+05 2024-05-09 13:04:34,021 INFO [main.py:798]
{rank 0/64} MD step = 325200 step time: 00:00:00.354041 Performance: 36.458 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:04:40,250 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 325200 65040 158.77 8109 17401 -9292 -9292 16.616 16.558 7.6849 1.4837e+05 2024-05-09 13:05:19,383 INFO [main.py:798]
{rank 0/64} MD step = 325300 step time: 00:00:00.351086 Performance: 36.459 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:05:27,067 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 325300 65060 159.69 8282.3 17502 -9219.7 -9219.7 16.623 16.563 7.6858 1.4843e+05 2024-05-09 13:06:12,570 INFO [main.py:798]
{rank 0/64} MD step = 325400 step time: 00:00:00.400156 Performance: 36.457 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:06:25,167 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 325400 65080 158.25 8063.8 17345 -9280.9 -9280.9 16.628 16.569 7.6882 1.4849e+05 2024-05-09 13:07:03,556 INFO [main.py:798]
{rank 0/64} MD step = 325500 step time: 00:00:00.384124 Performance: 36.456 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:07:09,606 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 325500 65100 159.02 8289 17429 -9139.9 -9139.9 16.636 16.573 7.6921 1.485e+05 2024-05-09 13:07:49,565 INFO [main.py:798]
{rank 0/64} MD step = 325600 step time: 00:00:00.405081 Performance: 36.457 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:07:57,363 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 325600 65120 159.14 8302.4 17442 -9139.4 -9139.4 16.641 16.578 7.694 1.4857e+05 2024-05-09 13:08:34,123 INFO [main.py:798]
{rank 0/64} MD step = 325700 step time: 00:00:00.356852 Performance: 36.457 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:08:44,042 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 325700 65140 158.37 8246.3 17357 -9110.7 -9110.7 16.645 16.583 7.6973 1.486e+05 2024-05-09 13:09:22,266 INFO [main.py:798]
{rank 0/64} MD step = 325800 step time: 00:00:00.396768 Performance: 36.457 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:09:29,634 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 325800 65160 160.61 8418.9 17603 -9183.9 -9183.9 16.65 16.589 7.7025 1.4866e+05 2024-05-09 13:10:08,337 INFO [main.py:798]
{rank 0/64} MD step = 325900 step time: 00:00:00.395552 Performance: 36.458 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:10:15,113 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 325900 65180 161.27 8479.9 17676 -9195.7 -9195.7 16.655 16.593 7.7052 1.487e+05 2024-05-09 13:10:53,252 INFO [main.py:798]
{rank 0/64} MD step = 326000 step time: 00:00:00.381755 Performance: 36.458 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:11:00,247 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 326000 65200 159.09 8213.7 17436 -9222.5 -9222.5 16.66 16.597 7.7064 1.4873e+05 2024-05-09 13:11:38,993 INFO [main.py:798]
{rank 0/64} MD step = 326100 step time: 00:00:00.400186 Performance: 36.459 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:11:46,256 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 326100 65220 160.27 8366.4 17566 -9199.3 -9199.3 16.666 16.604 7.7083 1.4874e+05 2024-05-09 13:12:24,615 INFO [main.py:798]
{rank 0/64} MD step = 326200 step time: 00:00:00.371184 Performance: 36.459 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:12:31,665 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 326200 65240 160.11 8410.3 17548 -9138.2 -9138.2 16.67 16.608 7.7104 1.4878e+05 2024-05-09 13:13:10,336 INFO [main.py:798]
{rank 0/64} MD step = 326300 step time: 00:00:00.388034 Performance: 36.459 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:13:17,798 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 326300 65260 160.76 8425.8 17619 -9193.2 -9193.2 16.674 16.615 7.7123 1.4881e+05 2024-05-09 13:13:56,552 INFO [main.py:798]
{rank 0/64} MD step = 326400 step time: 00:00:00.400552 Performance: 36.460 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:14:02,383 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 326400 65280 157.97 8099.5 17314 -9214.3 -9214.3 16.68 16.622 7.7141 1.4883e+05 2024-05-09 13:14:41,334 INFO [main.py:798]
{rank 0/64} MD step = 326500 step time: 00:00:00.399046 Performance: 36.460 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:14:47,795 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 326500 65300 162.28 8605.8 17786 -9180 -9180 16.686 16.626 7.7174 1.4889e+05 2024-05-09 13:15:26,119 INFO [main.py:798]
{rank 0/64} MD step = 326600 step time: 00:00:00.418740 Performance: 36.461 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:15:33,816 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 326600 65320 161.82 8542.4 17735 -9193 -9193 16.69 16.63 7.7208 1.4892e+05 2024-05-09 13:16:17,689 INFO [main.py:798]
{rank 0/64} MD step = 326700 step time: 00:00:00.432824 Performance: 36.460 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:16:24,621 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 326700 65340 158.24 8272.7 17343 -9070.6 -9070.6 16.696 16.635 7.7234 1.4901e+05 2024-05-09 13:17:02,691 INFO [main.py:798]
{rank 0/64} MD step = 326800 step time: 00:00:00.374105 Performance: 36.460 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:17:09,057 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 326800 65360 159.03 8261.6 17430 -9168.7 -9168.7 16.701 16.641 7.7243 1.4904e+05 2024-05-09 13:17:47,109 INFO [main.py:798]
{rank 0/64} MD step = 326900 step time: 00:00:00.371156 Performance: 36.461 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:17:54,347 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 326900 65380 160.95 8387.8 17641 -9252.8 -9252.8 16.707 16.645 7.726 1.4908e+05 2024-05-09 13:18:33,702 INFO [main.py:798]
{rank 0/64} MD step = 327000 step time: 00:00:00.408643 Performance: 36.461 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:18:40,388 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 327000 65400 159.39 8315.6 17469 -9153.3 -9153.3 16.71 16.648 7.7281 1.4917e+05 2024-05-09 13:19:19,560 INFO [main.py:798]
{rank 0/64} MD step = 327100 step time: 00:00:00.388898 Performance: 36.462 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:19:27,736 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 327100 65420 157.32 7917.4 17242 -9324.8 -9324.8 16.716 16.652 7.73 1.4916e+05 2024-05-09 13:20:06,440 INFO [main.py:798]
{rank 0/64} MD step = 327200 step time: 00:00:00.410387 Performance: 36.462 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:20:14,503 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 327200 65440 159.23 8208.8 17452 -9242.7 -9242.7 16.719 16.656 7.7321 1.4924e+05 2024-05-09 13:20:51,922 INFO [main.py:798]
{rank 0/64} MD step = 327300 step time: 00:00:00.381684 Performance: 36.462 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:20:58,718 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 327300 65460 158.28 8143.7 17348 -9204.2 -9204.2 16.724 16.662 7.7333 1.4929e+05 2024-05-09 13:21:37,328 INFO [main.py:798]
{rank 0/64} MD step = 327400 step time: 00:00:00.366442 Performance: 36.463 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:21:44,343 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 327400 65480 161.11 8430.2 17658 -9227.8 -9227.8 16.728 16.666 7.7334 1.4934e+05 2024-05-09 13:22:24,442 INFO [main.py:798]
{rank 0/64} MD step = 327500 step time: 00:00:00.397266 Performance: 36.463 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:22:32,773 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 327500 65500 158.91 8255.1 17417 -9161.9 -9161.9 16.733 16.671 7.7366 1.4938e+05 2024-05-09 13:23:10,644 INFO [main.py:798]
{rank 0/64} MD step = 327600 step time: 00:00:00.402434 Performance: 36.463 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:23:17,110 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 327600 65520 158.19 8136.8 17338 -9201.6 -9201.6 16.737 16.676 7.7385 1.4943e+05 2024-05-09 13:23:56,462 INFO [main.py:798]
{rank 0/64} MD step = 327700 step time: 00:00:00.399647 Performance: 36.463 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:24:03,615 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 327700 65540 160.8 8455.7 17624 -9168 -9168 16.742 16.68 7.7403 1.4945e+05 2024-05-09 13:24:42,504 INFO [main.py:798]
{rank 0/64} MD step = 327800 step time: 00:00:00.396185 Performance: 36.464 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:24:49,344 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 327800 65560 160.73 8342.7 17616 -9273.2 -9273.2 16.747 16.685 7.7437 1.4951e+05 2024-05-09 13:25:28,547 INFO [main.py:798]
{rank 0/64} MD step = 327900 step time: 00:00:00.394539 Performance: 36.464 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:25:34,754 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 327900 65580 163.89 8711.5 17962 -9250.9 -9250.9 16.753 16.689 7.7467 1.4954e+05 2024-05-09 13:26:13,103 INFO [main.py:798]
{rank 0/64} MD step = 328000 step time: 00:00:00.390207 Performance: 36.465 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:26:21,279 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328000 65600 159.95 8431.9 17531 -9098.7 -9098.7 16.756 16.694 7.75 1.4957e+05 2024-05-09 13:26:59,984 INFO [main.py:798]
{rank 0/64} MD step = 328100 step time: 00:00:00.415770 Performance: 36.465 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:27:04,664 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328100 65620 158.38 8169.1 17359 -9190.1 -9190.1 16.761 16.699 7.753 1.4961e+05 2024-05-09 13:27:46,444 INFO [main.py:798]
{rank 0/64} MD step = 328200 step time: 00:00:00.396747 Performance: 36.465 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:27:56,058 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328200 65640 159.99 8256.1 17536 -9279.5 -9279.5 16.765 16.703 7.7573 1.4968e+05 2024-05-09 13:28:35,092 INFO [main.py:798]
{rank 0/64} MD step = 328300 step time: 00:00:00.422583 Performance: 36.465 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:28:42,291 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328300 65660 159.42 8303.1 17473 -9169.9 -9169.9 16.77 16.707 7.7596 1.4975e+05 2024-05-09 13:29:21,607 INFO [main.py:798]
{rank 0/64} MD step = 328400 step time: 00:00:00.400252 Performance: 36.465 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:29:28,998 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328400 65680 159.92 8408.1 17528 -9119.4 -9119.4 16.775 16.711 7.7609 1.4978e+05 2024-05-09 13:30:07,093 INFO [main.py:798]
{rank 0/64} MD step = 328500 step time: 00:00:00.386907 Performance: 36.465 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:30:14,195 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328500 65700 159.57 8323.4 17489 -9165.4 -9165.4 16.78 16.714 7.7633 1.4987e+05 2024-05-09 13:30:52,521 INFO [main.py:798]
{rank 0/64} MD step = 328600 step time: 00:00:00.405022 Performance: 36.466 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:31:00,290 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328600 65720 161.34 8604.1 17683 -9079.2 -9079.2 16.782 16.72 7.765 1.4993e+05 2024-05-09 13:31:37,372 INFO [main.py:798]
{rank 0/64} MD step = 328700 step time: 00:00:00.395825 Performance: 36.466 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:31:46,163 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328700 65740 161.49 8527.9 17699 -9171.5 -9171.5 16.787 16.726 7.7662 1.4997e+05 2024-05-09 13:32:23,429 INFO [main.py:798]
{rank 0/64} MD step = 328800 step time: 00:00:00.335456 Performance: 36.467 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:32:31,692 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328800 65760 159.77 8315 17511 -9195.7 -9195.7 16.79 16.732 7.7688 1.5001e+05 2024-05-09 13:33:09,219 INFO [main.py:798]
{rank 0/64} MD step = 328900 step time: 00:00:00.379518 Performance: 36.467 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:33:16,012 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 328900 65780 159.49 8311.1 17481 -9169.5 -9169.5 16.797 16.738 7.771 1.5004e+05 2024-05-09 13:33:55,154 INFO [main.py:798]
{rank 0/64} MD step = 329000 step time: 00:00:00.356432 Performance: 36.468 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:34:04,340 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329000 65800 160.07 8400.3 17544 -9143.6 -9143.6 16.803 16.744 7.7735 1.5009e+05 2024-05-09 13:34:43,325 INFO [main.py:798]
{rank 0/64} MD step = 329100 step time: 00:00:00.401876 Performance: 36.467 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:34:49,368 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329100 65820 159.6 8228.3 17492 -9264.1 -9264.1 16.805 16.749 7.7748 1.5013e+05 2024-05-09 13:35:27,655 INFO [main.py:798]
{rank 0/64} MD step = 329200 step time: 00:00:00.366651 Performance: 36.468 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:35:34,171 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329200 65840 158.81 8185.6 17406 -9220.7 -9220.7 16.81 16.755 7.7783 1.5018e+05 2024-05-09 13:36:13,196 INFO [main.py:798]
{rank 0/64} MD step = 329300 step time: 00:00:00.360523 Performance: 36.468 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:36:19,559 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329300 65860 159.43 8249.2 17474 -9224.6 -9224.6 16.816 16.761 7.7806 1.5021e+05 2024-05-09 13:36:57,656 INFO [main.py:798]
{rank 0/64} MD step = 329400 step time: 00:00:00.360347 Performance: 36.469 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:37:04,963 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329400 65880 157.36 8107.4 17247 -9139.5 -9139.5 16.822 16.766 7.7818 1.5026e+05 2024-05-09 13:37:43,168 INFO [main.py:798]
{rank 0/64} MD step = 329500 step time: 00:00:00.369335 Performance: 36.470 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 13:37:52,742 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329500 65900 157.04 8150.6 17211 -9060.6 -9060.6 16.827 16.769 7.7839 1.5033e+05 2024-05-09 13:38:30,987 INFO [main.py:798]
{rank 0/64} MD step = 329600 step time: 00:00:00.356201 Performance: 36.469 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 13:38:38,772 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329600 65920 157.92 8078.7 17308 -9229.6 -9229.6 16.831 16.771 7.7891 1.5036e+05 2024-05-09 13:39:16,737 INFO [main.py:798]
{rank 0/64} MD step = 329700 step time: 00:00:00.384565 Performance: 36.470 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 13:39:32,989 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329700 65940 160.39 8415.2 17579 -9163.8 -9163.8 16.837 16.775 7.7903 1.5041e+05 2024-05-09 13:40:10,958 INFO [main.py:798]
{rank 0/64} MD step = 329800 step time: 00:00:00.371649 Performance: 36.468 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:40:18,801 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329800 65960 161.59 8462.7 17710 -9247.5 -9247.5 16.842 16.778 7.793 1.5043e+05 2024-05-09 13:40:56,855 INFO [main.py:798]
{rank 0/64} MD step = 329900 step time: 00:00:00.392683 Performance: 36.469 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:41:05,404 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 329900 65980 158.93 8248.6 17419 -9170.4 -9170.4 16.847 16.783 7.7947 1.5049e+05 2024-05-09 13:41:43,521 INFO [main.py:798]
{rank 0/64} MD step = 330000 step time: 00:00:00.363329 Performance: 36.469 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:41:52,251 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 330000 66000 160.29 8339.1 17568 -9228.5 -9228.5 16.853 16.789 7.7956 1.5055e+05 2024-05-09 13:42:32,561 INFO [main.py:798]
{rank 0/64} MD step = 330100 step time: 00:00:00.379245 Performance: 36.468 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:42:39,051 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 330100 66020 160.18 8317.1 17556 -9239.4 -9239.4 16.857 16.793 7.7983 1.5057e+05 2024-05-09 13:43:17,430 INFO [main.py:798]
{rank 0/64} MD step = 330200 step time: 00:00:00.380896 Performance: 36.469 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-09 13:43:23,836 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 330200 66040 158.38 8103.4 17359 -9255.8 -9255.8 16.86 16.8 7.7998 1.5064e+05 2024-05-09 13:44:02,554 INFO [main.py:798]
{rank 0/64} MD step = 330300 step time: 00:00:00.392292 Performance: 36.470 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 13:44:08,649 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 330300 66060 159.51 8199.9 17482 -9282.4 -9282.4 16.867 16.805 7.8008 1.5067e+05 2024-05-09 13:44:47,517 INFO [main.py:798]
{rank 0/64} MD step = 330400 step time: 00:00:00.397108 Performance: 36.470 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 13:44:54,977 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 330400 66080 158.85 8348.7 17410 -9061.3 -9061.3 16.872 16.81 7.802 1.507e+05 2024-05-09 13:45:33,444 INFO [main.py:798]
{rank 0/64} MD step = 330500 step time: 00:00:00.372270 Performance: 36.470 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 13:45:41,392 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 330500 66100 162.54 8631.6 17815 -9182.9 -9182.9 16.878 16.814 7.8048 1.5075e+05 2024-05-09 13:46:21,252 INFO [main.py:798]
{rank 0/64} MD step = 330600 step time: 00:00:00.485590 Performance: 36.470 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 13:46:31,256 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 330600 66120 160.83 8448 17627 -9179 -9179 16.884 16.818 7.8087 1.5078e+05 2024-05-09 13:47:10,725 INFO [main.py:798]
{rank 0/64} MD step = 330700 step time: 00:00:00.392323 Performance: 36.470 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 13:47:17,038 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 330700 66140 159.78 8188.3 17512 -9323.9 -9323.9 16.887 16.823 7.8112 1.5085e+05 2024-05-09 13:47:55,318 INFO [main.py:798]
{rank 0/64} MD step = 330800 step time: 00:00:00.366746 Performance: 36.470 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 13:48:02,393 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 330800 66160 159.89 8331.6 17524 -9192.4 -9192.4 16.893 16.826 7.8132 1.509e+05 2024-05-09 13:48:41,035 INFO [main.py:798]
{rank 0/64} MD step = 330900 step time: 00:00:00.391263 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 13:48:48,585 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 330900 66180 160.64 8480 17606 -9126.4 -9126.4 16.898 16.833 7.8139 1.5098e+05 2024-05-09 13:49:27,819 INFO [main.py:798]
{rank 0/64} MD step = 331000 step time: 00:00:00.356454 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 13:49:34,447 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 331000 66200 161.08 8347.5 17655 -9307.5 -9307.5 16.905 16.839 7.8157 1.5097e+05 2024-05-09 13:50:11,182 INFO [main.py:798]
{rank 0/64} MD step = 331100 step time: 00:00:00.349517 Performance: 36.472 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 13:50:17,719 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 331100 66220 160.72 8324.7 17615 -9290.8 -9290.8 16.91 16.844 7.8178 1.5103e+05 2024-05-09 13:50:55,594 INFO [main.py:798]
{rank 0/64} MD step = 331200 step time: 00:00:00.349454 Performance: 36.473 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 13:51:02,306 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 331200 66240 159.94 8276 17530 -9253.5 -9253.5 16.915 16.851 7.8208 1.5112e+05 2024-05-09 13:51:40,512 INFO [main.py:798]
{rank 0/64} MD step = 331300 step time: 00:00:00.347079 Performance: 36.473 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 13:51:49,446 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 331300 66260 162.81 8647.3 17844 -9196.3 -9196.3 16.921 16.856 7.8224 1.5115e+05 2024-05-09 13:52:35,724 INFO [main.py:798]
{rank 0/64} MD step = 331400 step time: 00:00:00.423902 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 13:52:44,423 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 331400 66280 157.64 8047.7 17278 -9229.8 -9229.8 16.925 16.86 7.8236 1.5118e+05 2024-05-09 13:53:22,841 INFO [main.py:798]
{rank 0/64} MD step = 331500 step time: 00:00:00.391398 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 13:53:31,683 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 331500 66300 158.59 8156.9 17381 -9224.6 -9224.6 16.929 16.866 7.8244 1.5123e+05 2024-05-09 13:54:09,697 INFO [main.py:798]
{rank 0/64} MD step = 331600 step time: 00:00:00.400027 Performance: 36.472 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 13:54:16,561 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 331600 66320 159.99 8316.8 17535 -9218.4 -9218.4 16.933 16.873 7.8268 1.5127e+05 2024-05-09 13:54:55,074 INFO [main.py:798]
{rank 0/64} MD step = 331700 step time: 00:00:00.418172 Performance: 36.472 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 13:55:02,073 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 331700 66340 161.65 8449.7 17718 -9267.8 -9267.8 16.936 16.879 7.8279 1.5132e+05 2024-05-09 13:55:39,592 INFO [main.py:798]
{rank 0/64} MD step = 331800 step time: 00:00:00.394008 Performance: 36.473 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 13:55:45,604 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 331800 66360 160.03 8418.4 17539 -9120.6 -9120.6 16.942 16.883 7.8317 1.5139e+05 2024-05-09 13:56:24,179 INFO [main.py:798]
{rank 0/64} MD step = 331900 step time: 00:00:00.403109 Performance: 36.473 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 13:56:31,763 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 331900 66380 160.44 8279.6 17585 -9305.3 -9305.3 16.947 16.889 7.8339 1.5142e+05 2024-05-09 13:57:09,939 INFO [main.py:798]
{rank 0/64} MD step = 332000 step time: 00:00:00.377958 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 13:57:16,326 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332000 66400 159.38 8215.5 17468 -9253 -9253 16.951 16.893 7.8352 1.5145e+05 2024-05-09 13:57:56,027 INFO [main.py:798]
{rank 0/64} MD step = 332100 step time: 00:00:00.412409 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 13:58:03,825 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332100 66420 157.89 8089.3 17305 -9215.8 -9215.8 16.955 16.898 7.8352 1.515e+05 2024-05-09 13:58:42,701 INFO [main.py:798]
{rank 0/64} MD step = 332200 step time: 00:00:00.385752 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 13:58:49,007 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332200 66440 160.82 8482.5 17626 -9144 -9144 16.959 16.903 7.8357 1.5157e+05 2024-05-09 13:59:27,348 INFO [main.py:798]
{rank 0/64} MD step = 332300 step time: 00:00:00.388372 Performance: 36.475 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 13:59:35,929 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332300 66460 160.67 8272.6 17610 -9337 -9337 16.965 16.907 7.8383 1.5162e+05 2024-05-09 14:00:14,249 INFO [main.py:798]
{rank 0/64} MD step = 332400 step time: 00:00:00.385202 Performance: 36.475 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:00:21,002 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332400 66480 159.33 8193.6 17463 -9269 -9269 16.97 16.912 7.8415 1.5163e+05 2024-05-09 14:01:00,383 INFO [main.py:798]
{rank 0/64} MD step = 332500 step time: 00:00:00.402013 Performance: 36.475 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:01:18,032 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332500 66500 160.75 8450.2 17619 -9168.4 -9168.4 16.974 16.917 7.8411 1.5173e+05 2024-05-09 14:01:55,056 INFO [main.py:798]
{rank 0/64} MD step = 332600 step time: 00:00:00.393585 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:02:03,730 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332600 66520 160.03 8438.6 17539 -9100.7 -9100.7 16.977 16.924 7.8433 1.5174e+05 2024-05-09 14:02:41,995 INFO [main.py:798]
{rank 0/64} MD step = 332700 step time: 00:00:00.404449 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:02:49,818 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332700 66540 160.52 8434.4 17593 -9158.8 -9158.8 16.981 16.928 7.8448 1.518e+05 2024-05-09 14:03:29,100 INFO [main.py:798]
{rank 0/64} MD step = 332800 step time: 00:00:00.384727 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:03:34,745 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332800 66560 159 8208.1 17427 -9218.6 -9218.6 16.986 16.933 7.847 1.5183e+05 2024-05-09 14:04:14,223 INFO [main.py:798]
{rank 0/64} MD step = 332900 step time: 00:00:00.391629 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:04:20,518 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 332900 66580 158.29 8159.5 17349 -9189.4 -9189.4 16.99 16.939 7.8497 1.5189e+05 2024-05-09 14:04:58,953 INFO [main.py:798]
{rank 0/64} MD step = 333000 step time: 00:00:00.376575 Performance: 36.475 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:05:05,089 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333000 66600 160.45 8286.9 17586 -9299.1 -9299.1 16.999 16.944 7.8514 1.5192e+05 2024-05-09 14:05:42,702 INFO [main.py:798]
{rank 0/64} MD step = 333100 step time: 00:00:00.398598 Performance: 36.476 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:05:49,345 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333100 66620 160.96 8488.9 17642 -9152.9 -9152.9 17.003 16.95 7.8523 1.5197e+05 2024-05-09 14:06:28,143 INFO [main.py:798]
{rank 0/64} MD step = 333200 step time: 00:00:00.400849 Performance: 36.476 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:06:33,748 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333200 66640 159.95 8237.1 17531 -9294.1 -9294.1 17.007 16.959 7.8554 1.5199e+05 2024-05-09 14:07:14,226 INFO [main.py:798]
{rank 0/64} MD step = 333300 step time: 00:00:00.378807 Performance: 36.476 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:07:24,949 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333300 66660 158.4 8060.7 17360 -9299.7 -9299.7 17.012 16.964 7.856 1.5202e+05 2024-05-09 14:08:02,518 INFO [main.py:798]
{rank 0/64} MD step = 333400 step time: 00:00:00.368848 Performance: 36.476 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:08:08,690 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333400 66680 161.46 8461.3 17696 -9235 -9235 17.018 16.968 7.8579 1.5209e+05 2024-05-09 14:08:46,697 INFO [main.py:798]
{rank 0/64} MD step = 333500 step time: 00:00:00.383445 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:08:55,144 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333500 66700 157.33 7962.5 17243 -9280.8 -9280.8 17.023 16.974 7.8613 1.521e+05 2024-05-09 14:09:35,131 INFO [main.py:798]
{rank 0/64} MD step = 333600 step time: 00:00:00.355815 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:09:43,575 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333600 66720 157.8 8029.1 17295 -9265.9 -9265.9 17.028 16.979 7.8644 1.5214e+05 2024-05-09 14:10:21,440 INFO [main.py:798]
{rank 0/64} MD step = 333700 step time: 00:00:00.385936 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:10:28,846 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333700 66740 158.65 8200.6 17388 -9187.4 -9187.4 17.033 16.983 7.8663 1.5216e+05 2024-05-09 14:11:08,053 INFO [main.py:798]
{rank 0/64} MD step = 333800 step time: 00:00:00.376792 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:11:14,812 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333800 66760 159.94 8292.8 17530 -9237.2 -9237.2 17.039 16.988 7.8678 1.5219e+05 2024-05-09 14:11:53,422 INFO [main.py:798]
{rank 0/64} MD step = 333900 step time: 00:00:00.360677 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:12:00,770 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 333900 66780 157.14 8047.5 17223 -9175.2 -9175.2 17.045 16.993 7.869 1.5227e+05 2024-05-09 14:12:39,640 INFO [main.py:798]
{rank 0/64} MD step = 334000 step time: 00:00:00.386010 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:12:48,627 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334000 66800 159.32 8256.7 17462 -9205.2 -9205.2 17.049 16.996 7.8721 1.5228e+05 2024-05-09 14:13:26,676 INFO [main.py:798]
{rank 0/64} MD step = 334100 step time: 00:00:00.416561 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:13:34,720 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334100 66820 160.36 8294.7 17575 -9280.5 -9280.5 17.055 17.002 7.8737 1.5233e+05 2024-05-09 14:14:13,176 INFO [main.py:798]
{rank 0/64} MD step = 334200 step time: 00:00:00.407162 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:14:21,237 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334200 66840 158.38 8123.2 17358 -9234.9 -9234.9 17.059 17.008 7.8762 1.5237e+05 2024-05-09 14:14:58,833 INFO [main.py:798]
{rank 0/64} MD step = 334300 step time: 00:00:00.401944 Performance: 36.479 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:15:05,690 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334300 66860 161.68 8528.9 17720 -9191.5 -9191.5 17.065 17.013 7.8781 1.5245e+05 2024-05-09 14:15:43,643 INFO [main.py:798]
{rank 0/64} MD step = 334400 step time: 00:00:00.397628 Performance: 36.479 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:15:50,275 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334400 66880 161.83 8551.4 17737 -9185.4 -9185.4 17.069 17.018 7.8804 1.5248e+05 2024-05-09 14:16:29,306 INFO [main.py:798]
{rank 0/64} MD step = 334500 step time: 00:00:00.402370 Performance: 36.479 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:16:38,058 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334500 66900 160.52 8401.2 17593 -9191.8 -9191.8 17.075 17.024 7.8834 1.5254e+05 2024-05-09 14:17:16,155 INFO [main.py:798]
{rank 0/64} MD step = 334600 step time: 00:00:00.376422 Performance: 36.480 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:17:28,136 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334600 66920 158.61 8163.7 17384 -9219.9 -9219.9 17.081 17.031 7.8839 1.5257e+05 2024-05-09 14:18:06,624 INFO [main.py:798]
{rank 0/64} MD step = 334700 step time: 00:00:00.388870 Performance: 36.479 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:18:14,550 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334700 66940 159.25 8299 17454 -9154.7 -9154.7 17.087 17.034 7.8856 1.5265e+05 2024-05-09 14:18:52,003 INFO [main.py:798]
{rank 0/64} MD step = 334800 step time: 00:00:00.395492 Performance: 36.479 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:18:59,125 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334800 66960 158.38 8141.4 17359 -9217.2 -9217.2 17.091 17.04 7.8877 1.5267e+05 2024-05-09 14:19:37,987 INFO [main.py:798]
{rank 0/64} MD step = 334900 step time: 00:00:00.421286 Performance: 36.480 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:19:45,831 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 334900 66980 159.61 8194.8 17493 -9298.5 -9298.5 17.098 17.043 7.8907 1.5273e+05 2024-05-09 14:20:24,640 INFO [main.py:798]
{rank 0/64} MD step = 335000 step time: 00:00:00.386148 Performance: 36.480 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:20:31,499 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335000 67000 162.1 8676.2 17767 -9090.5 -9090.5 17.101 17.048 7.8932 1.5278e+05 2024-05-09 14:21:08,949 INFO [main.py:798]
{rank 0/64} MD step = 335100 step time: 00:00:00.396438 Performance: 36.481 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:21:16,608 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335100 67020 161.24 8544.9 17673 -9127.7 -9127.7 17.105 17.053 7.8956 1.5285e+05 2024-05-09 14:21:54,182 INFO [main.py:798]
{rank 0/64} MD step = 335200 step time: 00:00:00.413414 Performance: 36.481 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:22:10,332 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335200 67040 158.67 8207.5 17390 -9182.7 -9182.7 17.112 17.057 7.8985 1.5286e+05 2024-05-09 14:22:48,607 INFO [main.py:798]
{rank 0/64} MD step = 335300 step time: 00:00:00.409164 Performance: 36.479 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:22:56,655 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335300 67060 159.36 8431.7 17466 -9034.3 -9034.3 17.118 17.063 7.8996 1.5295e+05 2024-05-09 14:23:35,084 INFO [main.py:798]
{rank 0/64} MD step = 335400 step time: 00:00:00.403153 Performance: 36.480 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:23:43,532 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335400 67080 161.59 8613.1 17711 -9097.7 -9097.7 17.123 17.067 7.9029 1.5298e+05 2024-05-09 14:24:21,315 INFO [main.py:798]
{rank 0/64} MD step = 335500 step time: 00:00:00.375176 Performance: 36.480 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:24:28,653 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335500 67100 159.39 8398.8 17470 -9071 -9071 17.128 17.071 7.9051 1.5305e+05 2024-05-09 14:25:06,135 INFO [main.py:798]
{rank 0/64} MD step = 335600 step time: 00:00:00.393067 Performance: 36.480 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:25:16,528 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335600 67120 160.12 8278.3 17549 -9270.7 -9270.7 17.133 17.074 7.9056 1.5312e+05 2024-05-09 14:25:55,449 INFO [main.py:798]
{rank 0/64} MD step = 335700 step time: 00:00:00.384379 Performance: 36.480 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:26:04,102 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335700 67140 158.93 8150.7 17419 -9268.2 -9268.2 17.14 17.081 7.9083 1.5312e+05 2024-05-09 14:26:43,213 INFO [main.py:798]
{rank 0/64} MD step = 335800 step time: 00:00:00.358654 Performance: 36.480 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:26:51,195 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335800 67160 160.15 8347.5 17553 -9205.1 -9205.1 17.143 17.086 7.9102 1.532e+05 2024-05-09 14:27:30,833 INFO [main.py:798]
{rank 0/64} MD step = 335900 step time: 00:00:00.377303 Performance: 36.480 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:27:40,532 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 335900 67180 158.75 8066.7 17399 -9332.7 -9332.7 17.148 17.092 7.9116 1.5325e+05 2024-05-09 14:28:18,435 INFO [main.py:798]
{rank 0/64} MD step = 336000 step time: 00:00:00.375025 Performance: 36.480 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:28:36,619 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 336000 67200 161.2 8407.5 17668 -9260.6 -9260.6 17.153 17.098 7.9141 1.5328e+05 2024-05-09 14:29:15,558 INFO [main.py:798]
{rank 0/64} MD step = 336100 step time: 00:00:00.365427 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:29:22,549 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 336100 67220 160.73 8358.4 17616 -9257.3 -9257.3 17.158 17.103 7.9163 1.5332e+05 2024-05-09 14:30:01,191 INFO [main.py:798]
{rank 0/64} MD step = 336200 step time: 00:00:00.379186 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:30:09,600 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 336200 67240 161.87 8596.7 17741 -9144.4 -9144.4 17.163 17.108 7.9203 1.5336e+05 2024-05-09 14:30:48,129 INFO [main.py:798]
{rank 0/64} MD step = 336300 step time: 00:00:00.373467 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:30:55,879 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 336300 67260 160.49 8413.6 17590 -9176.4 -9176.4 17.169 17.113 7.923 1.5341e+05 2024-05-09 14:31:34,450 INFO [main.py:798]
{rank 0/64} MD step = 336400 step time: 00:00:00.423598 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:31:46,712 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 336400 67280 158.72 8095.4 17396 -9300.9 -9300.9 17.173 17.115 7.9241 1.5346e+05 2024-05-09 14:32:25,005 INFO [main.py:798]
{rank 0/64} MD step = 336500 step time: 00:00:00.407157 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:32:33,656 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 336500 67300 159.75 8264.5 17508 -9243.9 -9243.9 17.178 17.12 7.9255 1.5354e+05 2024-05-09 14:33:12,048 INFO [main.py:798]
{rank 0/64} MD step = 336600 step time: 00:00:00.376061 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:33:20,090 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 336600 67320 158.88 8080.6 17414 -9333.3 -9333.3 17.182 17.125 7.9284 1.5358e+05 2024-05-09 14:33:58,991 INFO [main.py:798]
{rank 0/64} MD step = 336700 step time: 00:00:00.389234 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:34:05,445 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 336700 67340 161.53 8518.8 17704 -9185 -9185 17.187 17.131 7.9322 1.5366e+05 2024-05-09 14:34:42,783 INFO [main.py:798]
{rank 0/64} MD step = 336800 step time: 00:00:00.366274 Performance: 36.479 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:34:52,483 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 336800 67360 160.5 8337.6 17591 -9253.5 -9253.5 17.191 17.137 7.9347 1.5365e+05 2024-05-09 14:35:30,376 INFO [main.py:798]
{rank 0/64} MD step = 336900 step time: 00:00:00.397116 Performance: 36.479 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:35:38,359 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 336900 67380 160.45 8427.8 17586 -9158.2 -9158.2 17.197 17.142 7.9358 1.5372e+05 2024-05-09 14:36:17,260 INFO [main.py:798]
{rank 0/64} MD step = 337000 step time: 00:00:00.364343 Performance: 36.479 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:36:31,528 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 337000 67400 162.93 8632.8 17857 -9224.1 -9224.1 17.201 17.145 7.9379 1.5372e+05 2024-05-09 14:37:10,339 INFO [main.py:798]
{rank 0/64} MD step = 337100 step time: 00:00:00.381583 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:37:21,569 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 337100 67420 160.39 8314.8 17578 -9263.7 -9263.7 17.207 17.15 7.9416 1.5377e+05 2024-05-09 14:37:59,408 INFO [main.py:798]
{rank 0/64} MD step = 337200 step time: 00:00:00.393092 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:38:09,889 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 337200 67440 159.1 8199.9 17438 -9237.7 -9237.7 17.211 17.156 7.9444 1.5378e+05 2024-05-09 14:38:48,683 INFO [main.py:798]
{rank 0/64} MD step = 337300 step time: 00:00:00.374542 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:38:56,164 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 337300 67460 160.61 8348 17603 -9255.1 -9255.1 17.217 17.161 7.9488 1.5384e+05 2024-05-09 14:39:34,037 INFO [main.py:798]
{rank 0/64} MD step = 337400 step time: 00:00:00.393622 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:39:45,812 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 337400 67480 161.54 8444.9 17705 -9260.3 -9260.3 17.224 17.165 7.9492 1.5387e+05 2024-05-09 14:40:24,530 INFO [main.py:798]
{rank 0/64} MD step = 337500 step time: 00:00:00.366024 Performance: 36.476 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:40:32,946 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 337500 67500 161.62 8507.8 17714 -9206.4 -9206.4 17.229 17.17 7.9523 1.5395e+05 2024-05-09 14:41:11,631 INFO [main.py:798]
{rank 0/64} MD step = 337600 step time: 00:00:00.406278 Performance: 36.476 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:41:23,863 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 337600 67520 162.09 8394.6 17765 -9370.5 -9370.5 17.234 17.174 7.9544 1.5397e+05 2024-05-09 14:42:04,708 INFO [main.py:798]
{rank 0/64} MD step = 337700 step time: 00:00:00.413900 Performance: 36.475 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:42:11,282 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 337700 67540 160.14 8395.5 17552 -9156.4 -9156.4 17.237 17.18 7.958 1.5403e+05 2024-05-09 14:42:49,298 INFO [main.py:798]
{rank 0/64} MD step = 337800 step time: 00:00:00.412177 Performance: 36.476 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:42:56,998 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 337800 67560 160.79 8511.7 17623 -9110.9 -9110.9 17.243 17.185 7.9613 1.5406e+05 2024-05-09 14:43:34,149 INFO [main.py:798]
{rank 0/64} MD step = 337900 step time: 00:00:00.391210 Performance: 36.476 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:43:41,668 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 337900 67580 157.25 7956.8 17235 -9278.2 -9278.2 17.247 17.192 7.9639 1.5413e+05 2024-05-09 14:44:21,213 INFO [main.py:798]
{rank 0/64} MD step = 338000 step time: 00:00:00.435157 Performance: 36.476 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:44:31,401 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338000 67600 161.67 8331.4 17720 -9388.2 -9388.2 17.255 17.197 7.9668 1.5413e+05 2024-05-09 14:45:09,122 INFO [main.py:798]
{rank 0/64} MD step = 338100 step time: 00:00:00.397859 Performance: 36.476 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:45:16,438 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338100 67620 159.37 8158.9 17467 -9308.3 -9308.3 17.261 17.202 7.9664 1.5422e+05 2024-05-09 14:45:54,156 INFO [main.py:798]
{rank 0/64} MD step = 338200 step time: 00:00:00.405077 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:46:08,195 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338200 67640 161.55 8520.6 17706 -9185.3 -9185.3 17.266 17.206 7.9703 1.543e+05 2024-05-09 14:46:48,407 INFO [main.py:798]
{rank 0/64} MD step = 338300 step time: 00:00:00.400834 Performance: 36.475 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:46:56,572 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338300 67660 158.47 8210.4 17369 -9158.6 -9158.6 17.272 17.212 7.972 1.5431e+05 2024-05-09 14:47:34,454 INFO [main.py:798]
{rank 0/64} MD step = 338400 step time: 00:00:00.422317 Performance: 36.475 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:47:41,107 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338400 67680 159.11 8266.9 17439 -9171.9 -9171.9 17.278 17.216 7.9724 1.5433e+05 2024-05-09 14:48:19,807 INFO [main.py:798]
{rank 0/64} MD step = 338500 step time: 00:00:00.392727 Performance: 36.476 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:48:26,546 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338500 67700 158.68 8234.3 17391 -9157 -9157 17.282 17.223 7.9747 1.5439e+05 2024-05-09 14:49:03,995 INFO [main.py:798]
{rank 0/64} MD step = 338600 step time: 00:00:00.398150 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:49:10,985 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338600 67720 160.16 8310.8 17554 -9242.7 -9242.7 17.286 17.229 7.9792 1.5445e+05 2024-05-09 14:49:49,702 INFO [main.py:798]
{rank 0/64} MD step = 338700 step time: 00:00:00.365294 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:49:56,482 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338700 67740 159.27 8306.4 17456 -9149.9 -9149.9 17.29 17.233 7.9821 1.5451e+05 2024-05-09 14:50:35,247 INFO [main.py:798]
{rank 0/64} MD step = 338800 step time: 00:00:00.380771 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:50:43,079 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338800 67760 158.33 8194.8 17353 -9157.9 -9157.9 17.295 17.241 7.9835 1.5458e+05 2024-05-09 14:51:21,263 INFO [main.py:798]
{rank 0/64} MD step = 338900 step time: 00:00:00.369265 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:51:27,418 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 338900 67780 160.63 8477.8 17605 -9127.5 -9127.5 17.302 17.246 7.9861 1.5462e+05 2024-05-09 14:52:05,383 INFO [main.py:798]
{rank 0/64} MD step = 339000 step time: 00:00:00.414326 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:52:14,661 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 339000 67800 159.78 8427.1 17512 -9084.8 -9084.8 17.306 17.25 7.9894 1.5465e+05 2024-05-09 14:52:51,999 INFO [main.py:798]
{rank 0/64} MD step = 339100 step time: 00:00:00.374134 Performance: 36.479 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:53:02,435 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 339100 67820 161.92 8603.4 17746 -9142.8 -9142.8 17.312 17.254 7.9924 1.5469e+05 2024-05-09 14:53:42,386 INFO [main.py:798]
{rank 0/64} MD step = 339200 step time: 00:00:00.416085 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:53:51,731 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 339200 67840 159.83 8205.4 17517 -9312.1 -9312.1 17.316 17.261 7.9952 1.5476e+05 2024-05-09 14:54:29,593 INFO [main.py:798]
{rank 0/64} MD step = 339300 step time: 00:00:00.404798 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:54:37,123 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 339300 67860 161.36 8531.8 17686 -9154 -9154 17.321 17.267 7.9974 1.5482e+05 2024-05-09 14:55:16,039 INFO [main.py:798]
{rank 0/64} MD step = 339400 step time: 00:00:00.402040 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:55:25,299 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 339400 67880 160.48 8194.8 17589 -9394.2 -9394.2 17.326 17.276 7.9985 1.5487e+05 2024-05-09 14:56:04,966 INFO [main.py:798]
{rank 0/64} MD step = 339500 step time: 00:00:00.381704 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:56:11,480 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 339500 67900 158.48 8112.4 17370 -9257.4 -9257.4 17.331 17.28 7.9999 1.5493e+05 2024-05-09 14:56:50,187 INFO [main.py:798]
{rank 0/64} MD step = 339600 step time: 00:00:00.375128 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:56:58,906 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 339600 67920 162.75 8672.1 17837 -9165.3 -9165.3 17.336 17.286 8.0024 1.5495e+05 2024-05-09 14:57:37,707 INFO [main.py:798]
{rank 0/64} MD step = 339700 step time: 00:00:00.414616 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:57:42,082 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 339700 67940 162.18 8596.7 17775 -9178.2 -9178.2 17.341 17.29 8.0043 1.5499e+05 2024-05-09 14:58:23,955 INFO [main.py:798]
{rank 0/64} MD step = 339800 step time: 00:00:00.372503 Performance: 36.479 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:58:35,854 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 339800 67960 161.28 8605.4 17676 -9071 -9071 17.345 17.296 8.0061 1.5505e+05 2024-05-09 14:59:14,039 INFO [main.py:798]
{rank 0/64} MD step = 339900 step time: 00:00:00.409164 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 14:59:24,721 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 339900 67980 159.13 8165.9 17441 -9275 -9275 17.352 17.301 8.007 1.5508e+05 2024-05-09 15:00:00,860 INFO [main.py:798]
{rank 0/64} MD step = 340000 step time: 00:00:00.372591 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:00:09,972 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340000 68000 158.59 8155.3 17382 -9226.5 -9226.5 17.358 17.306 8.0093 1.5513e+05 2024-05-09 15:00:47,538 INFO [main.py:798]
{rank 0/64} MD step = 340100 step time: 00:00:00.354784 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:00:54,542 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340100 68020 160.86 8370.9 17631 -9260.1 -9260.1 17.363 17.31 8.0121 1.5515e+05 2024-05-09 15:01:34,384 INFO [main.py:798]
{rank 0/64} MD step = 340200 step time: 00:00:00.393715 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:01:43,192 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340200 68040 161.15 8556.9 17662 -9105 -9105 17.368 17.315 8.0134 1.5523e+05 2024-05-09 15:02:21,602 INFO [main.py:798]
{rank 0/64} MD step = 340300 step time: 00:00:00.379912 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:02:29,710 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340300 68060 159.45 8335.4 17476 -9141 -9141 17.373 17.319 8.0158 1.5528e+05 2024-05-09 15:03:07,551 INFO [main.py:798]
{rank 0/64} MD step = 340400 step time: 00:00:00.380336 Performance: 36.479 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:03:15,583 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340400 68080 160.14 8312.6 17552 -9239.5 -9239.5 17.379 17.324 8.0184 1.5532e+05 2024-05-09 15:03:55,912 INFO [main.py:798]
{rank 0/64} MD step = 340500 step time: 00:00:00.393751 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:04:02,937 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340500 68100 161.16 8466 17663 -9196.8 -9196.8 17.384 17.332 8.0229 1.5538e+05 2024-05-09 15:04:40,030 INFO [main.py:798]
{rank 0/64} MD step = 340600 step time: 00:00:00.375926 Performance: 36.479 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:04:49,388 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340600 68120 161.29 8513.6 17678 -9164 -9164 17.391 17.337 8.0235 1.5543e+05 2024-05-09 15:05:27,914 INFO [main.py:798]
{rank 0/64} MD step = 340700 step time: 00:00:00.395124 Performance: 36.479 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:05:34,602 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340700 68140 157.72 8022.3 17286 -9264.2 -9264.2 17.396 17.343 8.0247 1.5545e+05 2024-05-09 15:06:12,952 INFO [main.py:798]
{rank 0/64} MD step = 340800 step time: 00:00:00.406077 Performance: 36.480 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:06:23,145 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340800 68160 160.35 8389.3 17574 -9185 -9185 17.401 17.35 8.0275 1.5552e+05 2024-05-09 15:07:01,438 INFO [main.py:798]
{rank 0/64} MD step = 340900 step time: 00:00:00.411652 Performance: 36.479 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:07:11,326 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 340900 68180 160.97 8518.8 17643 -9123.9 -9123.9 17.408 17.356 8.0297 1.556e+05 2024-05-09 15:07:49,895 INFO [main.py:798]
{rank 0/64} MD step = 341000 step time: 00:00:00.407681 Performance: 36.479 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:08:03,024 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 341000 68200 160.08 8338.8 17545 -9206 -9206 17.414 17.36 8.0315 1.5564e+05 2024-05-09 15:08:42,995 INFO [main.py:798]
{rank 0/64} MD step = 341100 step time: 00:00:00.403820 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:08:51,366 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 341100 68220 160.61 8487.3 17603 -9115.2 -9115.2 17.421 17.366 8.0323 1.5572e+05 2024-05-09 15:09:30,077 INFO [main.py:798]
{rank 0/64} MD step = 341200 step time: 00:00:00.380300 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:09:40,260 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 341200 68240 158.66 8110.9 17389 -9278.5 -9278.5 17.427 17.371 8.0355 1.5574e+05 2024-05-09 15:10:19,282 INFO [main.py:798]
{rank 0/64} MD step = 341300 step time: 00:00:00.361831 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:10:26,586 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 341300 68260 159.71 8228.3 17505 -9276.4 -9276.4 17.433 17.375 8.0376 1.5579e+05 2024-05-09 15:11:04,947 INFO [main.py:798]
{rank 0/64} MD step = 341400 step time: 00:00:00.379545 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:11:12,585 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 341400 68280 160.69 8407.7 17612 -9204 -9204 17.439 17.38 8.0399 1.5588e+05 2024-05-09 15:11:50,629 INFO [main.py:798]
{rank 0/64} MD step = 341500 step time: 00:00:00.394533 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:11:57,222 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 341500 68300 160.11 8384.1 17548 -9164.2 -9164.2 17.444 17.384 8.0425 1.5589e+05 2024-05-09 15:12:35,456 INFO [main.py:798]
{rank 0/64} MD step = 341600 step time: 00:00:00.383658 Performance: 36.479 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:12:43,984 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 341600 68320 158 8247.7 17317 -9069.6 -9069.6 17.449 17.388 8.0458 1.5592e+05 2024-05-09 15:13:22,448 INFO [main.py:798]
{rank 0/64} MD step = 341700 step time: 00:00:00.391833 Performance: 36.479 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:13:28,493 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 341700 68340 160.84 8460.7 17629 -9167.9 -9167.9 17.454 17.393 8.0475 1.5601e+05 2024-05-09 15:14:07,729 INFO [main.py:798]
{rank 0/64} MD step = 341800 step time: 00:00:00.375786 Performance: 36.479 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:14:20,755 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 341800 68360 161.45 8420.8 17695 -9273.8 -9273.8 17.459 17.4 8.0481 1.5605e+05 2024-05-09 15:15:00,977 INFO [main.py:798]
{rank 0/64} MD step = 341900 step time: 00:00:00.367223 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:15:09,152 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 341900 68380 162.53 8652.8 17814 -9160.9 -9160.9 17.464 17.404 8.0501 1.5609e+05 2024-05-09 15:15:48,254 INFO [main.py:798]
{rank 0/64} MD step = 342000 step time: 00:00:00.344141 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:15:57,726 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342000 68400 159.16 8154.2 17444 -9290 -9290 17.468 17.41 8.052 1.5611e+05 2024-05-09 15:16:41,135 INFO [main.py:798]
{rank 0/64} MD step = 342100 step time: 00:00:00.336191 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:16:47,209 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342100 68420 158.58 8131.3 17381 -9249.2 -9249.2 17.473 17.414 8.0537 1.5619e+05 2024-05-09 15:17:27,435 INFO [main.py:798]
{rank 0/64} MD step = 342200 step time: 00:00:00.360503 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:17:36,806 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342200 68440 160.84 8456.1 17629 -9172.6 -9172.6 17.478 17.419 8.0561 1.5625e+05 2024-05-09 15:18:15,174 INFO [main.py:798]
{rank 0/64} MD step = 342300 step time: 00:00:00.342335 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:18:23,905 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342300 68460 160.29 8369.5 17568 -9198.4 -9198.4 17.483 17.424 8.0583 1.5633e+05 2024-05-09 15:19:06,355 INFO [main.py:798]
{rank 0/64} MD step = 342400 step time: 00:00:00.376693 Performance: 36.476 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:19:13,593 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342400 68480 159.92 8328.8 17527 -9198.2 -9198.2 17.489 17.429 8.061 1.5636e+05 2024-05-09 15:19:50,675 INFO [main.py:798]
{rank 0/64} MD step = 342500 step time: 00:00:00.352283 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:19:56,927 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342500 68500 157.95 8161.3 17311 -9149.9 -9149.9 17.492 17.435 8.0636 1.564e+05 2024-05-09 15:20:36,375 INFO [main.py:798]
{rank 0/64} MD step = 342600 step time: 00:00:00.349356 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:20:43,507 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342600 68520 158.88 8113.3 17414 -9300.4 -9300.4 17.497 17.441 8.0667 1.5643e+05 2024-05-09 15:21:22,377 INFO [main.py:798]
{rank 0/64} MD step = 342700 step time: 00:00:00.430758 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:21:30,110 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342700 68540 159.39 8214 17469 -9255.5 -9255.5 17.502 17.447 8.0688 1.5647e+05 2024-05-09 15:22:09,245 INFO [main.py:798]
{rank 0/64} MD step = 342800 step time: 00:00:00.362709 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:22:17,441 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342800 68560 161.78 8453.7 17731 -9277.8 -9277.8 17.508 17.452 8.0702 1.5651e+05 2024-05-09 15:22:55,972 INFO [main.py:798]
{rank 0/64} MD step = 342900 step time: 00:00:00.369574 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:23:04,470 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 342900 68580 161.41 8568.4 17690 -9121.9 -9121.9 17.513 17.458 8.074 1.5654e+05 2024-05-09 15:23:42,177 INFO [main.py:798]
{rank 0/64} MD step = 343000 step time: 00:00:00.366633 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:23:53,033 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 343000 68600 159.24 8438.6 17453 -9014.1 -9014.1 17.519 17.462 8.0756 1.5662e+05 2024-05-09 15:24:31,755 INFO [main.py:798]
{rank 0/64} MD step = 343100 step time: 00:00:00.397454 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:24:37,844 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 343100 68620 160.12 8391.7 17549 -9157.7 -9157.7 17.524 17.468 8.0766 1.5667e+05 2024-05-09 15:25:16,915 INFO [main.py:798]
{rank 0/64} MD step = 343200 step time: 00:00:00.383170 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:25:24,673 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 343200 68640 160.99 8403.7 17645 -9241.4 -9241.4 17.528 17.475 8.0777 1.567e+05 2024-05-09 15:26:03,121 INFO [main.py:798]
{rank 0/64} MD step = 343300 step time: 00:00:00.350381 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:26:11,549 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 343300 68660 160.39 8474.1 17579 -9105.2 -9105.2 17.534 17.479 8.0792 1.5676e+05 2024-05-09 15:26:53,192 INFO [main.py:798]
{rank 0/64} MD step = 343400 step time: 00:00:00.381459 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:27:01,496 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 343400 68680 160.37 8423.4 17577 -9153.3 -9153.3 17.539 17.486 8.0807 1.5679e+05 2024-05-09 15:27:39,321 INFO [main.py:798]
{rank 0/64} MD step = 343500 step time: 00:00:00.353859 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:27:47,410 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 343500 68700 158.88 8122.2 17413 -9290.7 -9290.7 17.545 17.491 8.0828 1.5683e+05 2024-05-09 15:28:26,583 INFO [main.py:798]
{rank 0/64} MD step = 343600 step time: 00:00:00.420288 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:28:34,047 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 343600 68720 161.62 8528.8 17714 -9185.1 -9185.1 17.55 17.496 8.0876 1.5691e+05 2024-05-09 15:29:12,436 INFO [main.py:798]
{rank 0/64} MD step = 343700 step time: 00:00:00.409071 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:29:25,853 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 343700 68740 160.85 8367.6 17629 -9261.9 -9261.9 17.554 17.503 8.0903 1.5694e+05 2024-05-09 15:30:06,360 INFO [main.py:798]
{rank 0/64} MD step = 343800 step time: 00:00:00.374291 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:30:15,253 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 343800 68760 160.01 8181.8 17537 -9355.5 -9355.5 17.559 17.509 8.0935 1.5698e+05 2024-05-09 15:30:53,149 INFO [main.py:798]
{rank 0/64} MD step = 343900 step time: 00:00:00.387124 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:31:00,078 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 343900 68780 159.15 8307.5 17443 -9135.4 -9135.4 17.566 17.514 8.0931 1.5705e+05 2024-05-09 15:31:37,590 INFO [main.py:798]
{rank 0/64} MD step = 344000 step time: 00:00:00.414051 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:31:45,300 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344000 68800 160.33 8426.4 17572 -9145.7 -9145.7 17.571 17.52 8.0948 1.5711e+05 2024-05-09 15:32:23,038 INFO [main.py:798]
{rank 0/64} MD step = 344100 step time: 00:00:00.397254 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:32:29,605 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344100 68820 160.6 8361.3 17602 -9240.6 -9240.6 17.577 17.525 8.0948 1.5713e+05 2024-05-09 15:33:08,855 INFO [main.py:798]
{rank 0/64} MD step = 344200 step time: 00:00:00.387745 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:33:17,371 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344200 68840 159.5 8255.6 17481 -9225.8 -9225.8 17.582 17.529 8.0966 1.5719e+05 2024-05-09 15:33:55,968 INFO [main.py:798]
{rank 0/64} MD step = 344300 step time: 00:00:00.374257 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:34:03,380 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344300 68860 160.33 8403.5 17572 -9168.7 -9168.7 17.587 17.534 8.1008 1.5723e+05 2024-05-09 15:34:41,211 INFO [main.py:798]
{rank 0/64} MD step = 344400 step time: 00:00:00.368513 Performance: 36.479 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:34:48,194 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344400 68880 160.91 8427.1 17636 -9208.7 -9208.7 17.592 17.54 8.1044 1.5729e+05 2024-05-09 15:35:27,385 INFO [main.py:798]
{rank 0/64} MD step = 344500 step time: 00:00:00.372657 Performance: 36.479 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:35:34,250 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344500 68900 159.33 8333.5 17462 -9129 -9129 17.597 17.546 8.1065 1.5732e+05 2024-05-09 15:36:12,830 INFO [main.py:798]
{rank 0/64} MD step = 344600 step time: 00:00:00.381265 Performance: 36.480 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:36:20,318 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344600 68920 160.72 8452.6 17615 -9162.3 -9162.3 17.603 17.552 8.1121 1.5734e+05 2024-05-09 15:36:58,260 INFO [main.py:798]
{rank 0/64} MD step = 344700 step time: 00:00:00.409087 Performance: 36.480 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:37:05,547 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344700 68940 158.84 8246.1 17409 -9162.5 -9162.5 17.607 17.556 8.1155 1.574e+05 2024-05-09 15:37:45,634 INFO [main.py:798]
{rank 0/64} MD step = 344800 step time: 00:00:00.409389 Performance: 36.480 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:37:52,515 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344800 68960 159.75 8329.8 17508 -9178.7 -9178.7 17.612 17.563 8.1162 1.5745e+05 2024-05-09 15:38:30,727 INFO [main.py:798]
{rank 0/64} MD step = 344900 step time: 00:00:00.393108 Performance: 36.481 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:38:38,113 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 344900 68980 161.25 8564.9 17674 -9108.9 -9108.9 17.618 17.569 8.1183 1.5748e+05 2024-05-09 15:39:16,389 INFO [main.py:798]
{rank 0/64} MD step = 345000 step time: 00:00:00.418840 Performance: 36.481 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:39:24,751 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345000 69000 158.92 8258.5 17418 -9159.6 -9159.6 17.622 17.572 8.1196 1.5753e+05 2024-05-09 15:40:03,592 INFO [main.py:798]
{rank 0/64} MD step = 345100 step time: 00:00:00.381627 Performance: 36.481 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:40:11,704 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345100 69020 158.72 8193.4 17396 -9202.4 -9202.4 17.628 17.577 8.1248 1.5759e+05 2024-05-09 15:40:49,499 INFO [main.py:798]
{rank 0/64} MD step = 345200 step time: 00:00:00.419237 Performance: 36.481 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:40:56,089 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345200 69040 160.44 8376 17584 -9208.2 -9208.2 17.633 17.582 8.1283 1.5764e+05 2024-05-09 15:41:36,686 INFO [main.py:798]
{rank 0/64} MD step = 345300 step time: 00:00:00.420656 Performance: 36.481 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:41:44,275 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345300 69060 158.56 8262.7 17378 -9115.6 -9115.6 17.636 17.59 8.1299 1.5768e+05 2024-05-09 15:42:21,990 INFO [main.py:798]
{rank 0/64} MD step = 345400 step time: 00:00:00.398472 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:42:29,659 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345400 69080 160.04 8369.5 17540 -9170.9 -9170.9 17.64 17.594 8.1316 1.577e+05 2024-05-09 15:43:08,393 INFO [main.py:798]
{rank 0/64} MD step = 345500 step time: 00:00:00.405828 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:43:17,230 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345500 69100 159.73 8435.5 17506 -9070.6 -9070.6 17.646 17.599 8.1361 1.5775e+05 2024-05-09 15:43:55,694 INFO [main.py:798]
{rank 0/64} MD step = 345600 step time: 00:00:00.402553 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:44:03,982 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345600 69120 158.21 8102.9 17340 -9236.7 -9236.7 17.651 17.606 8.1386 1.5779e+05 2024-05-09 15:44:43,376 INFO [main.py:798]
{rank 0/64} MD step = 345700 step time: 00:00:00.423295 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:44:50,889 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345700 69140 159.03 8261.9 17430 -9168.1 -9168.1 17.656 17.611 8.1404 1.5781e+05 2024-05-09 15:45:29,637 INFO [main.py:798]
{rank 0/64} MD step = 345800 step time: 00:00:00.417479 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:45:36,480 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345800 69160 160.61 8389.3 17603 -9213.9 -9213.9 17.661 17.616 8.1424 1.5788e+05 2024-05-09 15:46:15,988 INFO [main.py:798]
{rank 0/64} MD step = 345900 step time: 00:00:00.411143 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:46:27,526 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 345900 69180 159.3 8224.4 17459 -9234.6 -9234.6 17.667 17.622 8.1458 1.5794e+05 2024-05-09 15:47:04,767 INFO [main.py:798]
{rank 0/64} MD step = 346000 step time: 00:00:00.393390 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:47:12,996 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346000 69200 159.14 8206.2 17442 -9235.3 -9235.3 17.673 17.627 8.1477 1.5799e+05 2024-05-09 15:48:05,597 INFO [main.py:798]
{rank 0/64} MD step = 346100 step time: 00:00:00.405341 Performance: 36.479 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:48:12,720 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346100 69220 160.87 8449.3 17631 -9182.1 -9182.1 17.676 17.633 8.1505 1.5805e+05 2024-05-09 15:48:51,930 INFO [main.py:798]
{rank 0/64} MD step = 346200 step time: 00:00:00.412142 Performance: 36.479 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:48:58,882 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346200 69240 160.53 8346.7 17594 -9247.4 -9247.4 17.681 17.636 8.1528 1.581e+05 2024-05-09 15:49:38,002 INFO [main.py:798]
{rank 0/64} MD step = 346300 step time: 00:00:00.392760 Performance: 36.480 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:49:42,844 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346300 69260 162.66 8654.5 17827 -9172.9 -9172.9 17.687 17.64 8.1564 1.5813e+05 2024-05-09 15:50:23,448 INFO [main.py:798]
{rank 0/64} MD step = 346400 step time: 00:00:00.368723 Performance: 36.480 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:50:32,716 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346400 69280 160.26 8385.3 17564 -9179.1 -9179.1 17.692 17.646 8.159 1.5816e+05 2024-05-09 15:51:10,582 INFO [main.py:798]
{rank 0/64} MD step = 346500 step time: 00:00:00.385026 Performance: 36.480 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:51:17,757 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346500 69300 161.69 8573.6 17721 -9147.7 -9147.7 17.695 17.652 8.1602 1.5821e+05 2024-05-09 15:51:56,171 INFO [main.py:798]
{rank 0/64} MD step = 346600 step time: 00:00:00.389299 Performance: 36.481 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:52:03,677 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346600 69320 159.46 8275.7 17477 -9201.4 -9201.4 17.701 17.657 8.1599 1.5824e+05 2024-05-09 15:52:42,684 INFO [main.py:798]
{rank 0/64} MD step = 346700 step time: 00:00:00.395424 Performance: 36.481 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:52:53,386 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346700 69340 159.71 8323.8 17504 -9180.5 -9180.5 17.706 17.662 8.1641 1.5831e+05 2024-05-09 15:53:31,421 INFO [main.py:798]
{rank 0/64} MD step = 346800 step time: 00:00:00.381238 Performance: 36.480 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:53:37,258 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346800 69360 160.57 8466.6 17599 -9132.3 -9132.3 17.711 17.668 8.1663 1.5834e+05 2024-05-09 15:54:15,457 INFO [main.py:798]
{rank 0/64} MD step = 346900 step time: 00:00:00.392155 Performance: 36.481 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:54:24,137 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 346900 69380 161.26 8283.1 17674 -9390.9 -9390.9 17.717 17.672 8.1704 1.5835e+05 2024-05-09 15:55:03,251 INFO [main.py:798]
{rank 0/64} MD step = 347000 step time: 00:00:00.394027 Performance: 36.481 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:55:09,259 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347000 69400 159.36 8207.4 17466 -9258.1 -9258.1 17.724 17.674 8.1723 1.584e+05 2024-05-09 15:55:48,813 INFO [main.py:798]
{rank 0/64} MD step = 347100 step time: 00:00:00.395279 Performance: 36.481 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:55:55,870 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347100 69420 161.53 8591.7 17704 -9112.5 -9112.5 17.729 17.679 8.1751 1.5844e+05 2024-05-09 15:56:34,721 INFO [main.py:798]
{rank 0/64} MD step = 347200 step time: 00:00:00.410816 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:56:42,714 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347200 69440 159.94 8229.9 17530 -9299.7 -9299.7 17.734 17.685 8.1776 1.5849e+05 2024-05-09 15:57:21,882 INFO [main.py:798]
{rank 0/64} MD step = 347300 step time: 00:00:00.400261 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:57:30,260 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347300 69460 160.91 8399.3 17636 -9236.6 -9236.6 17.74 17.69 8.1805 1.5854e+05 2024-05-09 15:58:08,757 INFO [main.py:798]
{rank 0/64} MD step = 347400 step time: 00:00:00.388626 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:58:19,471 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347400 69480 158.25 8154.7 17344 -9189.6 -9189.6 17.745 17.695 8.1828 1.5859e+05 2024-05-09 15:58:58,936 INFO [main.py:798]
{rank 0/64} MD step = 347500 step time: 00:00:00.386079 Performance: 36.481 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:59:04,794 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347500 69500 157.55 8189.1 17268 -9078.8 -9078.8 17.749 17.698 8.1872 1.5866e+05 2024-05-09 15:59:43,044 INFO [main.py:798]
{rank 0/64} MD step = 347600 step time: 00:00:00.400391 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 15:59:54,108 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347600 69520 158.1 8154.4 17328 -9173.9 -9173.9 17.756 17.704 8.189 1.587e+05 2024-05-09 16:00:35,656 INFO [main.py:798]
{rank 0/64} MD step = 347700 step time: 00:00:00.377692 Performance: 36.481 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:00:43,551 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347700 69540 160.05 8426.6 17542 -9115.5 -9115.5 17.76 17.709 8.1903 1.5873e+05 2024-05-09 16:01:21,738 INFO [main.py:798]
{rank 0/64} MD step = 347800 step time: 00:00:00.373887 Performance: 36.481 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:01:27,951 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347800 69560 162.15 8555.5 17772 -9216.3 -9216.3 17.764 17.714 8.192 1.5879e+05 2024-05-09 16:02:05,906 INFO [main.py:798]
{rank 0/64} MD step = 347900 step time: 00:00:00.374961 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:02:14,219 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 347900 69580 160.64 8320.2 17606 -9285.7 -9285.7 17.77 17.719 8.1941 1.5882e+05 2024-05-09 16:02:52,757 INFO [main.py:798]
{rank 0/64} MD step = 348000 step time: 00:00:00.361818 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:03:02,548 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348000 69600 157.96 8089 17313 -9224.1 -9224.1 17.775 17.726 8.1983 1.5887e+05 2024-05-09 16:03:40,811 INFO [main.py:798]
{rank 0/64} MD step = 348100 step time: 00:00:00.387227 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:03:47,285 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348100 69620 158.16 8008.9 17334 -9325.5 -9325.5 17.78 17.731 8.1988 1.589e+05 2024-05-09 16:04:26,343 INFO [main.py:798]
{rank 0/64} MD step = 348200 step time: 00:00:00.352075 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:04:33,564 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348200 69640 159.27 8208.1 17456 -9247.9 -9247.9 17.786 17.736 8.202 1.5894e+05 2024-05-09 16:05:11,721 INFO [main.py:798]
{rank 0/64} MD step = 348300 step time: 00:00:00.393228 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:05:17,443 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348300 69660 161.26 8467.8 17674 -9206.2 -9206.2 17.791 17.74 8.2021 1.59e+05 2024-05-09 16:05:55,604 INFO [main.py:798]
{rank 0/64} MD step = 348400 step time: 00:00:00.378883 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:06:02,732 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348400 69680 158.18 8126 17337 -9211.3 -9211.3 17.796 17.746 8.2043 1.5903e+05 2024-05-09 16:06:42,728 INFO [main.py:798]
{rank 0/64} MD step = 348500 step time: 00:00:00.447054 Performance: 36.484 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:06:49,745 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348500 69700 162.47 8623.5 17807 -9183.3 -9183.3 17.8 17.753 8.2093 1.5907e+05 2024-05-09 16:07:27,885 INFO [main.py:798]
{rank 0/64} MD step = 348600 step time: 00:00:00.390955 Performance: 36.484 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:07:33,569 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348600 69720 157.15 8022.7 17224 -9201.5 -9201.5 17.806 17.758 8.2111 1.591e+05 2024-05-09 16:08:12,227 INFO [main.py:798]
{rank 0/64} MD step = 348700 step time: 00:00:00.407624 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:08:22,208 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348700 69740 157.05 7963.8 17213 -9249.4 -9249.4 17.812 17.763 8.2133 1.5915e+05 2024-05-09 16:09:00,171 INFO [main.py:798]
{rank 0/64} MD step = 348800 step time: 00:00:00.384452 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:09:08,610 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348800 69760 159.07 8271.9 17434 -9162.1 -9162.1 17.818 17.769 8.2166 1.5919e+05 2024-05-09 16:09:46,422 INFO [main.py:798]
{rank 0/64} MD step = 348900 step time: 00:00:00.403879 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:09:53,385 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 348900 69780 160.62 8416.1 17605 -9188.4 -9188.4 17.823 17.773 8.2198 1.5923e+05 2024-05-09 16:10:30,594 INFO [main.py:798]
{rank 0/64} MD step = 349000 step time: 00:00:00.375586 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:10:39,565 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 349000 69800 162.29 8592.9 17787 -9194.3 -9194.3 17.827 17.777 8.2205 1.5926e+05 2024-05-09 16:11:17,778 INFO [main.py:798]
{rank 0/64} MD step = 349100 step time: 00:00:00.396943 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:11:30,633 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 349100 69820 159.58 8378.1 17490 -9112.4 -9112.4 17.835 17.781 8.2227 1.593e+05 2024-05-09 16:12:07,410 INFO [main.py:798]
{rank 0/64} MD step = 349200 step time: 00:00:00.389875 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:12:23,900 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 349200 69840 159.16 8229.8 17444 -9214.2 -9214.2 17.84 17.786 8.2253 1.5934e+05 2024-05-09 16:13:01,878 INFO [main.py:798]
{rank 0/64} MD step = 349300 step time: 00:00:00.403130 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:13:08,805 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 349300 69860 159.56 8425.3 17488 -9062.5 -9062.5 17.847 17.791 8.2269 1.5939e+05 2024-05-09 16:13:47,721 INFO [main.py:798]
{rank 0/64} MD step = 349400 step time: 00:00:00.423515 Performance: 36.484 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:13:54,633 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 349400 69880 159.12 8209.4 17440 -9230.8 -9230.8 17.852 17.797 8.2299 1.5946e+05 2024-05-09 16:14:32,882 INFO [main.py:798]
{rank 0/64} MD step = 349500 step time: 00:00:00.393916 Performance: 36.484 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:14:40,051 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 349500 69900 157.75 8142.9 17289 -9146.5 -9146.5 17.857 17.803 8.2322 1.5949e+05 2024-05-09 16:15:17,319 INFO [main.py:798]
{rank 0/64} MD step = 349600 step time: 00:00:00.408518 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:15:24,713 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 349600 69920 162.45 8688.2 17804 -9116.2 -9116.2 17.863 17.807 8.2337 1.5954e+05 2024-05-09 16:16:03,672 INFO [main.py:798]
{rank 0/64} MD step = 349700 step time: 00:00:00.408197 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:16:27,897 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 349700 69940 158.34 8187 17354 -9167.4 -9167.4 17.868 17.811 8.2394 1.5958e+05 2024-05-09 16:17:04,832 INFO [main.py:798]
{rank 0/64} MD step = 349800 step time: 00:00:00.383003 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:17:20,730 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 349800 69960 160.05 8407 17542 -9135 -9135 17.873 17.818 8.242 1.5964e+05 2024-05-09 16:17:59,166 INFO [main.py:798]
{rank 0/64} MD step = 349900 step time: 00:00:00.387482 Performance: 36.481 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:18:08,620 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 349900 69980 160.89 8427.9 17634 -9205.7 -9205.7 17.877 17.822 8.2439 1.5967e+05 2024-05-09 16:18:47,865 INFO [main.py:798]
{rank 0/64} MD step = 350000 step time: 00:00:00.398770 Performance: 36.480 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:18:55,316 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 350000 70000 158.59 8187.3 17381 -9194.1 -9194.1 17.881 17.828 8.2459 1.5973e+05 2024-05-09 16:19:35,122 INFO [main.py:798]
{rank 0/64} MD step = 350100 step time: 00:00:00.407567 Performance: 36.480 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:19:47,422 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 350100 70020 156.46 7977.4 17148 -9170.5 -9170.5 17.885 17.834 8.2502 1.5975e+05 2024-05-09 16:20:28,302 INFO [main.py:798]
{rank 0/64} MD step = 350200 step time: 00:00:00.398578 Performance: 36.479 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:20:36,852 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 350200 70040 159.89 8291.1 17524 -9232.9 -9232.9 17.89 17.838 8.2533 1.5977e+05 2024-05-09 16:21:15,748 INFO [main.py:798]
{rank 0/64} MD step = 350300 step time: 00:00:00.391418 Performance: 36.479 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:21:26,167 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 350300 70060 159.12 8226.6 17439 -9212.8 -9212.8 17.895 17.843 8.257 1.5984e+05 2024-05-09 16:22:03,964 INFO [main.py:798]
{rank 0/64} MD step = 350400 step time: 00:00:00.411596 Performance: 36.479 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:22:14,557 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 350400 70080 161.58 8547.4 17709 -9161.8 -9161.8 17.9 17.847 8.2601 1.5989e+05 2024-05-09 16:22:53,508 INFO [main.py:798]
{rank 0/64} MD step = 350500 step time: 00:00:00.386110 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:23:01,928 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 350500 70100 157.9 8085.4 17306 -9220.5 -9220.5 17.905 17.853 8.2623 1.5993e+05 2024-05-09 16:23:39,527 INFO [main.py:798]
{rank 0/64} MD step = 350600 step time: 00:00:00.375963 Performance: 36.479 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:23:46,956 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 350600 70120 160.12 8247.5 17550 -9302.2 -9302.2 17.911 17.857 8.2671 1.5998e+05 2024-05-09 16:24:28,215 INFO [main.py:798]
{rank 0/64} MD step = 350700 step time: 00:00:00.412054 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:24:34,269 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 350700 70140 157.99 8180.8 17316 -9135.6 -9135.6 17.915 17.864 8.2677 1.6e+05 2024-05-09 16:25:12,805 INFO [main.py:798]
{rank 0/64} MD step = 350800 step time: 00:00:00.385129 Performance: 36.479 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:25:19,327 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 350800 70160 159.75 8228.5 17508 -9279.7 -9279.7 17.919 17.869 8.2688 1.6004e+05 2024-05-09 16:25:59,536 INFO [main.py:798]
{rank 0/64} MD step = 350900 step time: 00:00:00.410267 Performance: 36.479 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:26:05,616 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 350900 70180 160.11 8163.2 17548 -9384.5 -9384.5 17.924 17.872 8.273 1.6007e+05 2024-05-09 16:26:43,593 INFO [main.py:798]
{rank 0/64} MD step = 351000 step time: 00:00:00.396313 Performance: 36.480 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:26:50,836 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351000 70200 159.08 8238.9 17436 -9196.8 -9196.8 17.93 17.876 8.2772 1.6011e+05 2024-05-09 16:27:28,814 INFO [main.py:798]
{rank 0/64} MD step = 351100 step time: 00:00:00.402735 Performance: 36.480 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:27:39,785 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351100 70220 158.84 8146 17410 -9263.5 -9263.5 17.934 17.882 8.2796 1.6014e+05 2024-05-09 16:28:20,099 INFO [main.py:798]
{rank 0/64} MD step = 351200 step time: 00:00:00.391159 Performance: 36.479 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:28:26,524 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351200 70240 157.42 8035.7 17254 -9218.1 -9218.1 17.939 17.887 8.2829 1.602e+05 2024-05-09 16:29:03,397 INFO [main.py:798]
{rank 0/64} MD step = 351300 step time: 00:00:00.374541 Performance: 36.480 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:29:11,064 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351300 70260 157.7 8109.7 17284 -9173.9 -9173.9 17.944 17.893 8.2852 1.6025e+05 2024-05-09 16:29:51,647 INFO [main.py:798]
{rank 0/64} MD step = 351400 step time: 00:00:00.412819 Performance: 36.480 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:30:00,304 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351400 70280 158.87 8159.8 17412 -9252.6 -9252.6 17.947 17.898 8.2885 1.6029e+05 2024-05-09 16:30:38,518 INFO [main.py:798]
{rank 0/64} MD step = 351500 step time: 00:00:00.422576 Performance: 36.480 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:30:45,999 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351500 70300 159.05 8261.7 17433 -9170.9 -9170.9 17.952 17.904 8.2911 1.6035e+05 2024-05-09 16:31:23,920 INFO [main.py:798]
{rank 0/64} MD step = 351600 step time: 00:00:00.418273 Performance: 36.481 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:31:31,091 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351600 70320 162.72 8738 17834 -9096.2 -9096.2 17.957 17.909 8.2968 1.6038e+05 2024-05-09 16:32:10,886 INFO [main.py:798]
{rank 0/64} MD step = 351700 step time: 00:00:00.394627 Performance: 36.481 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:32:17,781 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351700 70340 157.93 8059.2 17309 -9250.1 -9250.1 17.962 17.913 8.2994 1.6041e+05 2024-05-09 16:32:55,720 INFO [main.py:798]
{rank 0/64} MD step = 351800 step time: 00:00:00.391366 Performance: 36.481 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:33:01,244 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351800 70360 159.21 8214.2 17449 -9235.2 -9235.2 17.968 17.919 8.3002 1.6046e+05 2024-05-09 16:33:41,171 INFO [main.py:798]
{rank 0/64} MD step = 351900 step time: 00:00:00.389840 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:33:50,109 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 351900 70380 161.85 8649.9 17739 -9089.3 -9089.3 17.973 17.924 8.3007 1.6051e+05 2024-05-09 16:34:27,691 INFO [main.py:798]
{rank 0/64} MD step = 352000 step time: 00:00:00.391368 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:34:37,494 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352000 70400 159.39 8245.4 17469 -9223.4 -9223.4 17.979 17.929 8.3013 1.6055e+05 2024-05-09 16:35:15,254 INFO [main.py:798]
{rank 0/64} MD step = 352100 step time: 00:00:00.378577 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:35:22,847 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352100 70420 159.41 8272 17471 -9199.1 -9199.1 17.983 17.935 8.302 1.6064e+05 2024-05-09 16:36:00,978 INFO [main.py:798]
{rank 0/64} MD step = 352200 step time: 00:00:00.375037 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:36:08,992 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352200 70440 162.02 8651 17757 -9106.2 -9106.2 17.986 17.941 8.3046 1.6066e+05 2024-05-09 16:36:47,620 INFO [main.py:798]
{rank 0/64} MD step = 352300 step time: 00:00:00.397706 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:36:54,853 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352300 70460 159.88 8288.6 17524 -9235 -9235 17.992 17.946 8.306 1.6069e+05 2024-05-09 16:37:33,315 INFO [main.py:798]
{rank 0/64} MD step = 352400 step time: 00:00:00.385845 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:37:43,439 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352400 70480 159.88 8335.4 17523 -9187.4 -9187.4 17.998 17.951 8.3078 1.6072e+05 2024-05-09 16:38:23,720 INFO [main.py:798]
{rank 0/64} MD step = 352500 step time: 00:00:00.385578 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:38:31,458 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352500 70500 161.62 8503.6 17714 -9210.2 -9210.2 18.004 17.956 8.3103 1.6077e+05 2024-05-09 16:39:10,628 INFO [main.py:798]
{rank 0/64} MD step = 352600 step time: 00:00:00.377438 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:39:17,523 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352600 70520 158.89 8129.2 17414 -9285.1 -9285.1 18.011 17.96 8.3138 1.6081e+05 2024-05-09 16:39:57,373 INFO [main.py:798]
{rank 0/64} MD step = 352700 step time: 00:00:00.384673 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:40:06,101 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352700 70540 159.04 8197.4 17431 -9233.8 -9233.8 18.017 17.966 8.3178 1.6085e+05 2024-05-09 16:40:43,775 INFO [main.py:798]
{rank 0/64} MD step = 352800 step time: 00:00:00.358336 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:40:52,933 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352800 70560 159.89 8264.6 17524 -9259.8 -9259.8 18.021 17.969 8.318 1.6092e+05 2024-05-09 16:41:31,161 INFO [main.py:798]
{rank 0/64} MD step = 352900 step time: 00:00:00.377163 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:41:40,152 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 352900 70580 159.42 8200.4 17473 -9272.2 -9272.2 18.027 17.975 8.3208 1.6095e+05 2024-05-09 16:42:18,996 INFO [main.py:798]
{rank 0/64} MD step = 353000 step time: 00:00:00.379871 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:42:28,307 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 353000 70600 160.72 8355.3 17616 -9260.2 -9260.2 18.033 17.98 8.3236 1.61e+05 2024-05-09 16:43:06,145 INFO [main.py:798]
{rank 0/64} MD step = 353100 step time: 00:00:00.380501 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:43:15,344 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 353100 70620 160.23 8211.7 17561 -9349.6 -9349.6 18.037 17.985 8.3254 1.6101e+05 2024-05-09 16:43:54,508 INFO [main.py:798]
{rank 0/64} MD step = 353200 step time: 00:00:00.399618 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:44:03,469 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 353200 70640 161.47 8606.1 17697 -9091.3 -9091.3 18.041 17.989 8.3281 1.6108e+05 2024-05-09 16:44:41,140 INFO [main.py:798]
{rank 0/64} MD step = 353300 step time: 00:00:00.396898 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:44:48,486 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 353300 70660 158.32 8132.3 17352 -9219.4 -9219.4 18.045 17.994 8.3311 1.6108e+05 2024-05-09 16:45:27,760 INFO [main.py:798]
{rank 0/64} MD step = 353400 step time: 00:00:00.414557 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:45:34,672 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 353400 70680 162.88 8473.2 17852 -9378.4 -9378.4 18.049 18 8.3338 1.6114e+05 2024-05-09 16:46:12,032 INFO [main.py:798]
{rank 0/64} MD step = 353500 step time: 00:00:00.351137 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:46:20,463 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 353500 70700 161.43 8450.6 17693 -9242.5 -9242.5 18.054 18.003 8.3344 1.6118e+05 2024-05-09 16:46:59,403 INFO [main.py:798]
{rank 0/64} MD step = 353600 step time: 00:00:00.375544 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:47:13,602 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 353600 70720 159.98 8328.5 17534 -9205.1 -9205.1 18.059 18.007 8.3373 1.6127e+05 2024-05-09 16:47:51,266 INFO [main.py:798]
{rank 0/64} MD step = 353700 step time: 00:00:00.369301 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:47:58,007 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 353700 70740 162.92 8518 17856 -9337.7 -9337.7 18.063 18.014 8.3393 1.6127e+05 2024-05-09 16:48:35,522 INFO [main.py:798]
{rank 0/64} MD step = 353800 step time: 00:00:00.384233 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:48:42,566 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 353800 70760 163.31 8656.5 17899 -9242.1 -9242.1 18.069 18.019 8.3407 1.6137e+05 2024-05-09 16:49:21,894 INFO [main.py:798]
{rank 0/64} MD step = 353900 step time: 00:00:00.372584 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:49:28,471 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 353900 70780 160.27 8370.7 17566 -9195.3 -9195.3 18.074 18.026 8.3429 1.6136e+05 2024-05-09 16:50:07,495 INFO [main.py:798]
{rank 0/64} MD step = 354000 step time: 00:00:00.361822 Performance: 36.484 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:50:16,925 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354000 70800 157.13 8021.1 17221 -9200.2 -9200.2 18.081 18.03 8.3474 1.6145e+05 2024-05-09 16:50:55,866 INFO [main.py:798]
{rank 0/64} MD step = 354100 step time: 00:00:00.397875 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:51:09,325 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354100 70820 157.67 8031 17281 -9250.2 -9250.2 18.086 18.033 8.3495 1.6147e+05 2024-05-09 16:51:45,727 INFO [main.py:798]
{rank 0/64} MD step = 354200 step time: 00:00:00.406347 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:51:54,727 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354200 70840 158.71 8159.9 17394 -9234.5 -9234.5 18.091 18.04 8.3509 1.6156e+05 2024-05-09 16:52:33,252 INFO [main.py:798]
{rank 0/64} MD step = 354300 step time: 00:00:00.385576 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:52:40,006 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354300 70860 160.08 8362.4 17545 -9182.5 -9182.5 18.096 18.043 8.3529 1.6159e+05 2024-05-09 16:53:19,722 INFO [main.py:798]
{rank 0/64} MD step = 354400 step time: 00:00:00.377387 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:53:26,786 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354400 70880 159.94 8328.2 17529 -9200.9 -9200.9 18.102 18.049 8.3541 1.6165e+05 2024-05-09 16:54:06,085 INFO [main.py:798]
{rank 0/64} MD step = 354500 step time: 00:00:00.373756 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:54:13,203 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354500 70900 159.03 8252.4 17430 -9177.8 -9177.8 18.108 18.054 8.3577 1.6169e+05 2024-05-09 16:54:50,949 INFO [main.py:798]
{rank 0/64} MD step = 354600 step time: 00:00:00.374230 Performance: 36.484 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:54:59,773 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354600 70920 161.82 8533.2 17735 -9202.2 -9202.2 18.113 18.059 8.3592 1.6174e+05 2024-05-09 16:55:37,120 INFO [main.py:798]
{rank 0/64} MD step = 354700 step time: 00:00:00.384831 Performance: 36.484 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:55:44,847 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354700 70940 159.28 8250.9 17457 -9206.5 -9206.5 18.118 18.066 8.3636 1.618e+05 2024-05-09 16:56:23,006 INFO [main.py:798]
{rank 0/64} MD step = 354800 step time: 00:00:00.385944 Performance: 36.484 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:56:32,190 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354800 70960 159.85 8238.1 17520 -9282 -9282 18.123 18.073 8.3666 1.6185e+05 2024-05-09 16:57:09,274 INFO [main.py:798]
{rank 0/64} MD step = 354900 step time: 00:00:00.373777 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:57:16,645 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 354900 70980 160.05 8460.6 17541 -9080.8 -9080.8 18.127 18.078 8.3692 1.6192e+05 2024-05-09 16:57:54,677 INFO [main.py:798]
{rank 0/64} MD step = 355000 step time: 00:00:00.382125 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:58:03,785 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 355000 71000 161.34 8584.9 17683 -9097.7 -9097.7 18.133 18.083 8.37 1.6195e+05 2024-05-09 16:58:42,372 INFO [main.py:798]
{rank 0/64} MD step = 355100 step time: 00:00:00.389975 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:58:51,222 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 355100 71020 160.48 8400.7 17588 -9187.6 -9187.6 18.139 18.089 8.3721 1.6197e+05 2024-05-09 16:59:29,040 INFO [main.py:798]
{rank 0/64} MD step = 355200 step time: 00:00:00.370683 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 16:59:40,326 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 355200 71040 159.32 8325.2 17462 -9136.4 -9136.4 18.144 18.092 8.3738 1.6206e+05 2024-05-09 17:00:19,467 INFO [main.py:798]
{rank 0/64} MD step = 355300 step time: 00:00:00.382843 Performance: 36.484 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 17:00:27,668 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 355300 71060 160.46 8437.3 17587 -9149.8 -9149.8 18.148 18.096 8.3756 1.621e+05 2024-05-09 17:01:05,058 INFO [main.py:798]
{rank 0/64} MD step = 355400 step time: 00:00:00.368626 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 17:01:12,347 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 355400 71080 160.53 8368.3 17595 -9226.5 -9226.5 18.152 18.1 8.3785 1.6212e+05 2024-05-09 17:01:49,849 INFO [main.py:798]
{rank 0/64} MD step = 355500 step time: 00:00:00.373909 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 17:02:00,032 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 355500 71100 162.19 8655.8 17777 -9120.9 -9120.9 18.156 18.106 8.3837 1.6217e+05 2024-05-09 17:02:37,131 INFO [main.py:798]
{rank 0/64} MD step = 355600 step time: 00:00:00.380390 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 17:02:45,858 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 355600 71120 160.09 8399.9 17546 -9146.4 -9146.4 18.163 18.11 8.3862 1.6223e+05 2024-05-09 17:03:23,613 INFO [main.py:798]
{rank 0/64} MD step = 355700 step time: 00:00:00.349126 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 17:03:31,548 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 355700 71140 159.42 8296.3 17472 -9176.1 -9176.1 18.167 18.113 8.3897 1.6226e+05 2024-05-09 17:04:09,664 INFO [main.py:798]
{rank 0/64} MD step = 355800 step time: 00:00:00.374708 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 17:04:17,483 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 355800 71160 159.72 8299.9 17506 -9205.8 -9205.8 18.172 18.117 8.3929 1.6228e+05 2024-05-09 17:04:55,744 INFO [main.py:798]
{rank 0/64} MD step = 355900 step time: 00:00:00.379797 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 17:05:02,953 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 355900 71180 159.47 8339.3 17478 -9139 -9139 18.178 18.122 8.3937 1.6235e+05 2024-05-09 17:05:43,250 INFO [main.py:798]
{rank 0/64} MD step = 356000 step time: 00:00:00.391342 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 17:05:50,581 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 356000 71200 162.48 8524 17808 -9284.3 -9284.3 18.182 18.129 8.396 1.6238e+05 2024-05-09 17:06:28,885 INFO [main.py:798]
{rank 0/64} MD step = 356100 step time: 00:00:00.378514 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 17:06:36,104 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 356100 71220 158.84 8232.1 17409 -9176.6 -9176.6 18.186 18.133 8.3969 1.624e+05 2024-05-09 17:07:13,941 INFO [main.py:798]
{rank 0/64} MD step = 356200 step time: 00:00:00.366794 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:07:26,071 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 356200 71240 161.96 8459.1 17750 -9291.4 -9291.4 18.19 18.139 8.4013 1.6247e+05 2024-05-09 17:08:03,109 INFO [main.py:798]
{rank 0/64} MD step = 356300 step time: 00:00:00.391390 Performance: 36.487 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 17:08:12,210 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 356300 71260 159.75 8257.6 17509 -9251.8 -9251.8 18.195 18.144 8.4029 1.6251e+05 2024-05-09 17:08:50,089 INFO [main.py:798]
{rank 0/64} MD step = 356400 step time: 00:00:00.398079 Performance: 36.487 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 17:08:56,876 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 356400 71280 159.32 8352.9 17462 -9108.8 -9108.8 18.199 18.149 8.4033 1.6257e+05 2024-05-09 17:09:34,760 INFO [main.py:798]
{rank 0/64} MD step = 356500 step time: 00:00:00.375466 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:09:44,321 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 356500 71300 157.94 8005.8 17310 -9304.4 -9304.4 18.202 18.155 8.4061 1.6262e+05 2024-05-09 17:10:22,602 INFO [main.py:798]
{rank 0/64} MD step = 356600 step time: 00:00:00.393090 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:10:30,731 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 356600 71320 158.15 8171.9 17333 -9161.4 -9161.4 18.206 18.161 8.4088 1.6265e+05 2024-05-09 17:11:09,287 INFO [main.py:798]
{rank 0/64} MD step = 356700 step time: 00:00:00.375836 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:11:19,799 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 356700 71340 160.4 8419.9 17580 -9160.5 -9160.5 18.209 18.166 8.4105 1.6271e+05 2024-05-09 17:11:57,972 INFO [main.py:798]
{rank 0/64} MD step = 356800 step time: 00:00:00.356427 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:12:04,347 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 356800 71360 159.26 8328.6 17455 -9126.3 -9126.3 18.214 18.171 8.4117 1.6278e+05 2024-05-09 17:12:42,235 INFO [main.py:798]
{rank 0/64} MD step = 356900 step time: 00:00:00.365605 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:12:50,864 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 356900 71380 158.35 8221.6 17355 -9133.6 -9133.6 18.217 18.176 8.4133 1.628e+05 2024-05-09 17:13:29,359 INFO [main.py:798]
{rank 0/64} MD step = 357000 step time: 00:00:00.384571 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:13:36,644 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 357000 71400 156.1 7950.3 17109 -9158.9 -9158.9 18.222 18.181 8.4163 1.6286e+05 2024-05-09 17:14:14,136 INFO [main.py:798]
{rank 0/64} MD step = 357100 step time: 00:00:00.378250 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:14:21,514 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 357100 71420 159.42 8259.8 17473 -9212.7 -9212.7 18.225 18.185 8.4174 1.6291e+05 2024-05-09 17:14:58,584 INFO [main.py:798]
{rank 0/64} MD step = 357200 step time: 00:00:00.378386 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:15:06,012 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 357200 71440 159.72 8401.1 17505 -9104.1 -9104.1 18.232 18.19 8.4197 1.6295e+05 2024-05-09 17:15:46,537 INFO [main.py:798]
{rank 0/64} MD step = 357300 step time: 00:00:00.394788 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:15:55,248 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 357300 71460 158.81 8204.5 17405 -9200.9 -9200.9 18.238 18.192 8.4232 1.6299e+05 2024-05-09 17:16:34,146 INFO [main.py:798]
{rank 0/64} MD step = 357400 step time: 00:00:00.380005 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:16:43,864 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 357400 71480 158.61 8242.3 17384 -9141.4 -9141.4 18.243 18.197 8.4251 1.6304e+05 2024-05-09 17:17:21,536 INFO [main.py:798]
{rank 0/64} MD step = 357500 step time: 00:00:00.392296 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:17:29,335 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 357500 71500 161.77 8471.5 17730 -9258.7 -9258.7 18.247 18.202 8.4265 1.6307e+05 2024-05-09 17:18:08,355 INFO [main.py:798]
{rank 0/64} MD step = 357600 step time: 00:00:00.385423 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:18:17,803 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 357600 71520 159.57 8264.8 17489 -9224.1 -9224.1 18.252 18.208 8.4293 1.6313e+05 2024-05-09 17:18:57,220 INFO [main.py:798]
{rank 0/64} MD step = 357700 step time: 00:00:00.358518 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:19:06,306 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 357700 71540 159.31 8295.5 17461 -9165.5 -9165.5 18.257 18.212 8.4322 1.6318e+05 2024-05-09 17:19:43,766 INFO [main.py:798]
{rank 0/64} MD step = 357800 step time: 00:00:00.370647 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:19:52,910 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 357800 71560 157.63 8073.1 17276 -9203.3 -9203.3 18.263 18.218 8.4358 1.632e+05 2024-05-09 17:20:30,960 INFO [main.py:798]
{rank 0/64} MD step = 357900 step time: 00:00:00.410865 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:20:38,565 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 357900 71580 162.43 8505.2 17802 -9297.2 -9297.2 18.268 18.224 8.4377 1.6321e+05 2024-05-09 17:21:16,818 INFO [main.py:798]
{rank 0/64} MD step = 358000 step time: 00:00:00.397261 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:21:24,209 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 358000 71600 155.08 7780.3 16997 -9217.2 -9217.2 18.274 18.229 8.4399 1.6326e+05 2024-05-09 17:22:01,977 INFO [main.py:798]
{rank 0/64} MD step = 358100 step time: 00:00:00.407869 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:22:10,408 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 358100 71620 159.03 8292.7 17430 -9137.1 -9137.1 18.278 18.234 8.442 1.6332e+05 2024-05-09 17:22:48,342 INFO [main.py:798]
{rank 0/64} MD step = 358200 step time: 00:00:00.434221 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:22:56,336 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 358200 71640 159.62 8339.9 17494 -9154.1 -9154.1 18.284 18.239 8.4435 1.6336e+05 2024-05-09 17:23:34,147 INFO [main.py:798]
{rank 0/64} MD step = 358300 step time: 00:00:00.386359 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:23:42,510 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 358300 71660 161.48 8560.4 17699 -9138.5 -9138.5 18.29 18.245 8.4443 1.6339e+05 2024-05-09 17:24:20,591 INFO [main.py:798]
{rank 0/64} MD step = 358400 step time: 00:00:00.401846 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:24:29,088 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 358400 71680 156.92 7961.6 17199 -9237.5 -9237.5 18.295 18.251 8.4464 1.6345e+05 2024-05-09 17:25:07,387 INFO [main.py:798]
{rank 0/64} MD step = 358500 step time: 00:00:00.390086 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:25:19,355 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 358500 71700 160.87 8414.6 17631 -9216.7 -9216.7 18.3 18.256 8.4478 1.6352e+05 2024-05-09 17:25:57,780 INFO [main.py:798]
{rank 0/64} MD step = 358600 step time: 00:00:00.406951 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:26:06,865 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 358600 71720 156.98 7947.4 17205 -9257.9 -9257.9 18.305 18.261 8.4504 1.6354e+05 2024-05-09 17:26:46,320 INFO [main.py:798]
{rank 0/64} MD step = 358700 step time: 00:00:00.382301 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:26:54,579 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 358700 71740 157.52 8031.5 17265 -9233 -9233 18.309 18.265 8.4534 1.6359e+05 2024-05-09 17:27:33,476 INFO [main.py:798]
{rank 0/64} MD step = 358800 step time: 00:00:00.405030 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:27:42,093 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 358800 71760 159.51 8275.1 17482 -9207.3 -9207.3 18.314 18.267 8.4555 1.6363e+05 2024-05-09 17:28:21,218 INFO [main.py:798]
{rank 0/64} MD step = 358900 step time: 00:00:00.377431 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:28:33,904 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 358900 71780 159.35 8219.2 17465 -9245.6 -9245.6 18.321 18.271 8.4552 1.6367e+05 2024-05-09 17:29:12,317 INFO [main.py:798]
{rank 0/64} MD step = 359000 step time: 00:00:00.377681 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:29:20,225 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359000 71800 159.62 8239.3 17494 -9254.9 -9254.9 18.326 18.278 8.4596 1.6372e+05 2024-05-09 17:29:57,382 INFO [main.py:798]
{rank 0/64} MD step = 359100 step time: 00:00:00.347882 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:30:08,139 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359100 71820 161.17 8554.1 17664 -9110.1 -9110.1 18.329 18.283 8.4631 1.6374e+05 2024-05-09 17:30:46,786 INFO [main.py:798]
{rank 0/64} MD step = 359200 step time: 00:00:00.374443 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:30:55,274 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359200 71840 160.1 8445.6 17547 -9101.7 -9101.7 18.334 18.288 8.467 1.6381e+05 2024-05-09 17:31:33,422 INFO [main.py:798]
{rank 0/64} MD step = 359300 step time: 00:00:00.366239 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:31:38,980 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359300 71860 159.56 8283.1 17488 -9204.8 -9204.8 18.337 18.293 8.4695 1.6384e+05 2024-05-09 17:32:20,226 INFO [main.py:798]
{rank 0/64} MD step = 359400 step time: 00:00:00.360517 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:32:31,420 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359400 71880 159.56 8261.9 17488 -9225.7 -9225.7 18.344 18.299 8.4721 1.6391e+05 2024-05-09 17:33:09,682 INFO [main.py:798]
{rank 0/64} MD step = 359500 step time: 00:00:00.343099 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:33:17,473 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359500 71900 160.28 8513.7 17567 -9053 -9053 18.348 18.303 8.4741 1.6396e+05 2024-05-09 17:33:56,105 INFO [main.py:798]
{rank 0/64} MD step = 359600 step time: 00:00:00.370330 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:34:03,257 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359600 71920 161.81 8558.3 17734 -9175.9 -9175.9 18.354 18.309 8.4783 1.64e+05 2024-05-09 17:34:42,740 INFO [main.py:798]
{rank 0/64} MD step = 359700 step time: 00:00:00.349115 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:34:49,701 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359700 71940 157.63 8036.1 17276 -9240 -9240 18.36 18.317 8.4822 1.6402e+05 2024-05-09 17:35:29,208 INFO [main.py:798]
{rank 0/64} MD step = 359800 step time: 00:00:00.376861 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:35:41,589 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359800 71960 160.35 8399.9 17575 -9175 -9175 18.365 18.323 8.486 1.6407e+05 2024-05-09 17:36:19,698 INFO [main.py:798]
{rank 0/64} MD step = 359900 step time: 00:00:00.378677 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:36:26,662 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 359900 71980 160.85 8465.5 17629 -9163.9 -9163.9 18.371 18.327 8.4886 1.6408e+05 2024-05-09 17:37:05,114 INFO [main.py:798]
{rank 0/64} MD step = 360000 step time: 00:00:00.349079 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:37:12,950 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360000 72000 161.98 8618 17753 -9135.4 -9135.4 18.376 18.332 8.4924 1.6416e+05 2024-05-09 17:37:52,335 INFO [main.py:798]
{rank 0/64} MD step = 360100 step time: 00:00:00.344301 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:38:05,424 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360100 72020 160.33 8354.3 17573 -9218.4 -9218.4 18.38 18.336 8.4953 1.6418e+05 2024-05-09 17:38:43,137 INFO [main.py:798]
{rank 0/64} MD step = 360200 step time: 00:00:00.344107 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:38:51,917 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360200 72040 159.34 8224 17464 -9239.8 -9239.8 18.384 18.34 8.4978 1.6422e+05 2024-05-09 17:39:33,008 INFO [main.py:798]
{rank 0/64} MD step = 360300 step time: 00:00:00.363998 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:39:40,908 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360300 72060 159.8 8242.8 17514 -9271.6 -9271.6 18.389 18.347 8.4985 1.6426e+05 2024-05-09 17:40:17,563 INFO [main.py:798]
{rank 0/64} MD step = 360400 step time: 00:00:00.390829 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:40:26,214 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360400 72080 162.2 8473.4 17777 -9304.1 -9304.1 18.394 18.352 8.5015 1.6435e+05 2024-05-09 17:41:04,054 INFO [main.py:798]
{rank 0/64} MD step = 360500 step time: 00:00:00.385463 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:41:14,577 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360500 72100 159.13 8332.2 17441 -9108.9 -9108.9 18.399 18.356 8.5065 1.6437e+05 2024-05-09 17:41:53,432 INFO [main.py:798]
{rank 0/64} MD step = 360600 step time: 00:00:00.378424 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:42:02,207 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360600 72120 159.61 8102.5 17493 -9390.5 -9390.5 18.404 18.361 8.5082 1.6444e+05 2024-05-09 17:42:39,559 INFO [main.py:798]
{rank 0/64} MD step = 360700 step time: 00:00:00.365606 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:42:49,307 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360700 72140 160.71 8474.5 17614 -9139.2 -9139.2 18.409 18.367 8.5098 1.645e+05 2024-05-09 17:43:27,928 INFO [main.py:798]
{rank 0/64} MD step = 360800 step time: 00:00:00.390268 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:43:37,441 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360800 72160 160.56 8386.7 17598 -9211.4 -9211.4 18.414 18.372 8.5146 1.6454e+05 2024-05-09 17:44:15,265 INFO [main.py:798]
{rank 0/64} MD step = 360900 step time: 00:00:00.381576 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:44:26,756 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 360900 72180 159.99 8395.9 17536 -9139.7 -9139.7 18.418 18.377 8.5179 1.6456e+05 2024-05-09 17:45:05,078 INFO [main.py:798]
{rank 0/64} MD step = 361000 step time: 00:00:00.376495 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:45:14,227 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 361000 72200 159.66 8314.5 17499 -9184.8 -9184.8 18.425 18.382 8.5219 1.6461e+05 2024-05-09 17:45:52,779 INFO [main.py:798]
{rank 0/64} MD step = 361100 step time: 00:00:00.400084 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:46:04,330 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 361100 72220 160.46 8350.4 17586 -9235.8 -9235.8 18.431 18.386 8.5236 1.6464e+05 2024-05-09 17:46:42,789 INFO [main.py:798]
{rank 0/64} MD step = 361200 step time: 00:00:00.394344 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:46:52,588 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 361200 72240 159.94 8397.2 17529 -9132 -9132 18.435 18.392 8.5264 1.6469e+05 2024-05-09 17:47:30,180 INFO [main.py:798]
{rank 0/64} MD step = 361300 step time: 00:00:00.374068 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:47:40,938 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 361300 72260 159.91 8287.3 17527 -9239.3 -9239.3 18.438 18.398 8.5276 1.6475e+05 2024-05-09 17:48:17,377 INFO [main.py:798]
{rank 0/64} MD step = 361400 step time: 00:00:00.397539 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:48:26,996 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 361400 72280 160.99 8481.3 17645 -9164 -9164 18.443 18.403 8.5305 1.6476e+05 2024-05-09 17:49:04,853 INFO [main.py:798]
{rank 0/64} MD step = 361500 step time: 00:00:00.410330 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 17:49:14,828 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 361500 72300 162.11 8617 17767 -9150.2 -9150.2 18.449 18.407 8.5325 1.648e+05 2024-05-09 17:49:53,284 INFO [main.py:798]
{rank 0/64} MD step = 361600 step time: 00:00:00.377517 Performance: 36.487 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 17:50:02,238 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 361600 72320 157.51 8085.9 17263 -9177.2 -9177.2 18.455 18.411 8.5347 1.6483e+05 2024-05-09 17:50:40,376 INFO [main.py:798]
{rank 0/64} MD step = 361700 step time: 00:00:00.364332 Performance: 36.487 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 17:50:50,934 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 361700 72340 159.78 8233.5 17512 -9279 -9279 18.459 18.416 8.536 1.6489e+05 2024-05-09 17:51:29,638 INFO [main.py:798]
{rank 0/64} MD step = 361800 step time: 00:00:00.428033 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 17:51:38,622 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 361800 72360 158.33 8101.4 17354 -9252.2 -9252.2 18.465 18.421 8.5384 1.6494e+05 2024-05-09 17:52:16,028 INFO [main.py:798]
{rank 0/64} MD step = 361900 step time: 00:00:00.388194 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 17:52:26,285 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 361900 72380 160.19 8387.6 17557 -9169.8 -9169.8 18.47 18.426 8.5398 1.6501e+05 2024-05-09 17:53:04,725 INFO [main.py:798]
{rank 0/64} MD step = 362000 step time: 00:00:00.421670 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 17:53:14,155 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 362000 72400 161.42 8547.8 17692 -9144.2 -9144.2 18.477 18.431 8.5409 1.6504e+05 2024-05-09 17:53:53,202 INFO [main.py:798]
{rank 0/64} MD step = 362100 step time: 00:00:00.393092 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 17:54:02,284 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 362100 72420 159.53 8310.4 17484 -9173.8 -9173.8 18.482 18.437 8.5443 1.651e+05 2024-05-09 17:54:43,533 INFO [main.py:798]
{rank 0/64} MD step = 362200 step time: 00:00:00.385405 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 17:54:51,603 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 362200 72440 159.97 8262.2 17532 -9270.2 -9270.2 18.485 18.442 8.5462 1.6509e+05 2024-05-09 17:55:30,700 INFO [main.py:798]
{rank 0/64} MD step = 362300 step time: 00:00:00.402263 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 17:55:38,720 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 362300 72460 160.96 8349.4 17642 -9292.1 -9292.1 18.49 18.444 8.5484 1.6516e+05 2024-05-09 17:56:20,127 INFO [main.py:798]
{rank 0/64} MD step = 362400 step time: 00:00:00.397737 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 17:56:27,723 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 362400 72480 157.65 8013.6 17279 -9265.3 -9265.3 18.494 18.449 8.551 1.6519e+05 2024-05-09 17:57:10,938 INFO [main.py:798]
{rank 0/64} MD step = 362500 step time: 00:00:00.354026 Performance: 36.484 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 17:57:18,865 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 362500 72500 163.8 8708 17952 -9244.4 -9244.4 18.5 18.454 8.5525 1.6524e+05 2024-05-09 17:57:57,336 INFO [main.py:798]
{rank 0/64} MD step = 362600 step time: 00:00:00.366474 Performance: 36.484 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 17:58:05,208 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 362600 72520 161.66 8428.3 17719 -9290.2 -9290.2 18.505 18.459 8.5563 1.6528e+05 2024-05-09 17:58:42,813 INFO [main.py:798]
{rank 0/64} MD step = 362700 step time: 00:00:00.355042 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 17:58:50,651 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 362700 72540 160.11 8178 17548 -9369.9 -9369.9 18.508 18.462 8.5573 1.6533e+05 2024-05-09 17:59:29,518 INFO [main.py:798]
{rank 0/64} MD step = 362800 step time: 00:00:00.366434 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 17:59:37,005 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 362800 72560 160.38 8422.2 17578 -9155.7 -9155.7 18.512 18.467 8.5597 1.6541e+05 2024-05-09 18:00:17,015 INFO [main.py:798]
{rank 0/64} MD step = 362900 step time: 00:00:00.392285 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 18:00:24,645 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 362900 72580 160.4 8435.4 17580 -9144.7 -9144.7 18.516 18.474 8.5617 1.6542e+05 2024-05-09 18:01:03,057 INFO [main.py:798]
{rank 0/64} MD step = 363000 step time: 00:00:00.378569 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 18:01:10,144 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 363000 72600 157.29 8021.3 17239 -9218 -9218 18.523 18.479 8.5641 1.6547e+05 2024-05-09 18:01:49,691 INFO [main.py:798]
{rank 0/64} MD step = 363100 step time: 00:00:00.415784 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 18:01:58,538 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 363100 72620 161.59 8485.6 17711 -9225.2 -9225.2 18.529 18.485 8.566 1.6551e+05 2024-05-09 18:02:37,306 INFO [main.py:798]
{rank 0/64} MD step = 363200 step time: 00:00:00.372293 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 18:02:50,785 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 363200 72640 159.9 8342.3 17525 -9182.9 -9182.9 18.535 18.491 8.5685 1.6557e+05 2024-05-09 18:03:29,597 INFO [main.py:798]
{rank 0/64} MD step = 363300 step time: 00:00:00.371064 Performance: 36.484 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 18:03:36,371 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 363300 72660 159.89 8245.8 17524 -9278.6 -9278.6 18.539 18.496 8.5711 1.6563e+05 2024-05-09 18:04:14,693 INFO [main.py:798]
{rank 0/64} MD step = 363400 step time: 00:00:00.354850 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 18:04:23,221 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 363400 72680 161.06 8393 17652 -9258.8 -9258.8 18.545 18.499 8.5731 1.6568e+05 2024-05-09 18:05:02,398 INFO [main.py:798]
{rank 0/64} MD step = 363500 step time: 00:00:00.357711 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 18:05:12,419 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 363500 72700 159.57 8174.5 17490 -9315 -9315 18.549 18.505 8.5754 1.6571e+05 2024-05-09 18:05:52,062 INFO [main.py:798]
{rank 0/64} MD step = 363600 step time: 00:00:00.382258 Performance: 36.484 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 18:05:57,508 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 363600 72720 159.77 8190.2 17511 -9320.4 -9320.4 18.552 18.509 8.5777 1.6573e+05 2024-05-09 18:06:37,644 INFO [main.py:798]
{rank 0/64} MD step = 363700 step time: 00:00:00.387278 Performance: 36.484 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 18:06:45,163 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 363700 72740 158.63 8147.4 17386 -9238.9 -9238.9 18.557 18.514 8.5777 1.6581e+05 2024-05-09 18:07:24,180 INFO [main.py:798]
{rank 0/64} MD step = 363800 step time: 00:00:00.396686 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 18:07:33,119 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 363800 72760 158.73 8306.1 17397 -9090.7 -9090.7 18.559 18.519 8.5813 1.6585e+05 2024-05-09 18:08:11,949 INFO [main.py:798]
{rank 0/64} MD step = 363900 step time: 00:00:00.396313 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 18:08:20,017 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 363900 72780 158.76 8144.4 17400 -9255.6 -9255.6 18.562 18.523 8.583 1.6587e+05 2024-05-09 18:08:57,863 INFO [main.py:798]
{rank 0/64} MD step = 364000 step time: 00:00:00.384893 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 18:09:07,784 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364000 72800 159.5 8247.7 17481 -9233.2 -9233.2 18.567 18.528 8.5859 1.6591e+05 2024-05-09 18:09:47,631 INFO [main.py:798]
{rank 0/64} MD step = 364100 step time: 00:00:00.388269 Performance: 36.484 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 18:09:55,140 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364100 72820 159.81 8366.5 17515 -9148.9 -9148.9 18.572 18.533 8.5885 1.6595e+05 2024-05-09 18:10:34,218 INFO [main.py:798]
{rank 0/64} MD step = 364200 step time: 00:00:00.384678 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 18:10:42,400 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364200 72840 161 8456.6 17646 -9189.7 -9189.7 18.574 18.54 8.5921 1.6602e+05 2024-05-09 18:11:19,365 INFO [main.py:798]
{rank 0/64} MD step = 364300 step time: 00:00:00.393652 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 18:11:27,826 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364300 72860 158.68 8118 17392 -9273.5 -9273.5 18.581 18.546 8.596 1.6606e+05 2024-05-09 18:12:06,109 INFO [main.py:798]
{rank 0/64} MD step = 364400 step time: 00:00:00.423105 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 18:12:13,174 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364400 72880 161.28 8400.9 17676 -9275.2 -9275.2 18.587 18.553 8.5973 1.6608e+05 2024-05-09 18:12:51,365 INFO [main.py:798]
{rank 0/64} MD step = 364500 step time: 00:00:00.393121 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 18:13:01,104 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364500 72900 159.79 8272.8 17513 -9240.1 -9240.1 18.593 18.558 8.5973 1.6616e+05 2024-05-09 18:13:38,618 INFO [main.py:798]
{rank 0/64} MD step = 364600 step time: 00:00:00.478823 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 18:13:46,787 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364600 72920 157.82 8100.2 17297 -9197.1 -9197.1 18.596 18.563 8.5992 1.6621e+05 2024-05-09 18:14:25,005 INFO [main.py:798]
{rank 0/64} MD step = 364700 step time: 00:00:00.409551 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 18:14:33,644 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364700 72940 160.16 8397.7 17554 -9156.5 -9156.5 18.6 18.568 8.6026 1.6627e+05 2024-05-09 18:15:10,013 INFO [main.py:798]
{rank 0/64} MD step = 364800 step time: 00:00:00.371234 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 18:15:17,163 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364800 72960 158.82 8224.6 17407 -9181.9 -9181.9 18.604 18.573 8.6057 1.6632e+05 2024-05-09 18:15:57,704 INFO [main.py:798]
{rank 0/64} MD step = 364900 step time: 00:00:00.418899 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 18:16:06,799 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 364900 72980 160.34 8284.4 17574 -9289.4 -9289.4 18.609 18.579 8.6078 1.6637e+05 2024-05-09 18:16:44,250 INFO [main.py:798]
{rank 0/64} MD step = 365000 step time: 00:00:00.412836 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 18:16:52,516 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 365000 73000 160.31 8493.4 17570 -9076.4 -9076.4 18.613 18.584 8.6112 1.6642e+05 2024-05-09 18:17:29,225 INFO [main.py:798]
{rank 0/64} MD step = 365100 step time: 00:00:00.380151 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:17:37,682 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 365100 73020 161.76 8652.6 17729 -9076.1 -9076.1 18.619 18.589 8.6126 1.665e+05 2024-05-09 18:18:14,684 INFO [main.py:798]
{rank 0/64} MD step = 365200 step time: 00:00:00.377525 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:18:21,040 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 365200 73040 158.49 8119.4 17371 -9251.1 -9251.1 18.624 18.595 8.6142 1.6653e+05 2024-05-09 18:19:01,373 INFO [main.py:798]
{rank 0/64} MD step = 365300 step time: 00:00:00.415503 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:19:10,376 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 365300 73060 160.32 8504.5 17571 -9066.3 -9066.3 18.628 18.599 8.6165 1.6661e+05 2024-05-09 18:19:49,965 INFO [main.py:798]
{rank 0/64} MD step = 365400 step time: 00:00:00.398999 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:19:57,687 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 365400 73080 160.47 8453.4 17588 -9134.5 -9134.5 18.633 18.606 8.617 1.6663e+05 2024-05-09 18:20:35,812 INFO [main.py:798]
{rank 0/64} MD step = 365500 step time: 00:00:00.369303 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:20:43,263 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 365500 73100 157.64 8086.4 17277 -9190.8 -9190.8 18.639 18.613 8.6202 1.6669e+05 2024-05-09 18:21:23,882 INFO [main.py:798]
{rank 0/64} MD step = 365600 step time: 00:00:00.390754 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:21:33,273 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 365600 73120 160.21 8440.6 17559 -9118.5 -9118.5 18.643 18.617 8.6212 1.6673e+05 2024-05-09 18:22:11,671 INFO [main.py:798]
{rank 0/64} MD step = 365700 step time: 00:00:00.387460 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:22:20,135 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 365700 73140 160.23 8382.6 17561 -9178.6 -9178.6 18.65 18.623 8.6235 1.668e+05 2024-05-09 18:22:56,972 INFO [main.py:798]
{rank 0/64} MD step = 365800 step time: 00:00:00.389140 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:23:04,921 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 365800 73160 160.9 8362.3 17635 -9272.8 -9272.8 18.652 18.63 8.6254 1.6681e+05 2024-05-09 18:23:42,865 INFO [main.py:798]
{rank 0/64} MD step = 365900 step time: 00:00:00.407326 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:23:50,282 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 365900 73180 158.36 8280.7 17357 -9075.9 -9075.9 18.657 18.634 8.6279 1.6693e+05 2024-05-09 18:24:30,244 INFO [main.py:798]
{rank 0/64} MD step = 366000 step time: 00:00:00.402707 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:24:40,134 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 366000 73200 157.96 7975.5 17312 -9336.7 -9336.7 18.663 18.641 8.6304 1.6696e+05 2024-05-09 18:25:17,815 INFO [main.py:798]
{rank 0/64} MD step = 366100 step time: 00:00:00.395482 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:25:26,154 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 366100 73220 157.92 8250.2 17308 -9058.1 -9058.1 18.669 18.645 8.6308 1.6703e+05 2024-05-09 18:26:02,962 INFO [main.py:798]
{rank 0/64} MD step = 366200 step time: 00:00:00.377116 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:26:13,198 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 366200 73240 161.15 8462.9 17662 -9199.3 -9199.3 18.674 18.65 8.6342 1.6706e+05 2024-05-09 18:26:50,161 INFO [main.py:798]
{rank 0/64} MD step = 366300 step time: 00:00:00.389796 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:26:59,609 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 366300 73260 157.55 8049.9 17268 -9218 -9218 18.68 18.656 8.6372 1.6709e+05 2024-05-09 18:27:37,581 INFO [main.py:798]
{rank 0/64} MD step = 366400 step time: 00:00:00.355740 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:27:47,939 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 366400 73280 159.68 8222 17501 -9278.9 -9278.9 18.684 18.662 8.6401 1.6712e+05 2024-05-09 18:28:26,121 INFO [main.py:798]
{rank 0/64} MD step = 366500 step time: 00:00:00.368059 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:28:35,528 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 366500 73300 159.32 8177 17462 -9284.7 -9284.7 18.691 18.668 8.6435 1.6719e+05 2024-05-09 18:29:13,157 INFO [main.py:798]
{rank 0/64} MD step = 366600 step time: 00:00:00.393326 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:29:21,587 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 366600 73320 159.99 8309.9 17536 -9225.7 -9225.7 18.697 18.674 8.6469 1.6722e+05 2024-05-09 18:30:00,862 INFO [main.py:798]
{rank 0/64} MD step = 366700 step time: 00:00:00.345391 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:30:11,330 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 366700 73340 159.36 8369.3 17466 -9096.2 -9096.2 18.703 18.681 8.6497 1.6727e+05 2024-05-09 18:30:50,272 INFO [main.py:798]
{rank 0/64} MD step = 366800 step time: 00:00:00.388309 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:30:59,411 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 366800 73360 157.29 8171.6 17239 -9067.3 -9067.3 18.708 18.686 8.6495 1.6733e+05 2024-05-09 18:31:38,617 INFO [main.py:798]
{rank 0/64} MD step = 366900 step time: 00:00:00.362106 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:31:46,031 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 366900 73380 158.66 8189.9 17389 -9199.3 -9199.3 18.713 18.693 8.6529 1.6738e+05 2024-05-09 18:32:24,830 INFO [main.py:798]
{rank 0/64} MD step = 367000 step time: 00:00:00.387301 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:32:38,388 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367000 73400 161.67 8392.5 17719 -9326.7 -9326.7 18.718 18.697 8.6562 1.6741e+05 2024-05-09 18:33:18,061 INFO [main.py:798]
{rank 0/64} MD step = 367100 step time: 00:00:00.392756 Performance: 36.487 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 18:33:25,866 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367100 73420 162.52 8624.9 17812 -9187.1 -9187.1 18.725 18.702 8.658 1.6744e+05 2024-05-09 18:34:03,716 INFO [main.py:798]
{rank 0/64} MD step = 367200 step time: 00:00:00.376220 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:34:12,751 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367200 73440 159.33 8314.8 17463 -9148.3 -9148.3 18.729 18.707 8.6604 1.6752e+05 2024-05-09 18:34:52,361 INFO [main.py:798]
{rank 0/64} MD step = 367300 step time: 00:00:00.403118 Performance: 36.487 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 18:35:00,325 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367300 73460 161.03 8489 17649 -9160.2 -9160.2 18.734 18.714 8.6636 1.6754e+05 2024-05-09 18:35:40,660 INFO [main.py:798]
{rank 0/64} MD step = 367400 step time: 00:00:00.381544 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 18:35:47,507 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367400 73480 160.85 8338.7 17629 -9290.5 -9290.5 18.737 18.722 8.6655 1.6758e+05 2024-05-09 18:36:26,324 INFO [main.py:798]
{rank 0/64} MD step = 367500 step time: 00:00:00.401288 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:36:35,339 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367500 73500 160.75 8389 17618 -9229.4 -9229.4 18.741 18.725 8.6682 1.6763e+05 2024-05-09 18:37:14,429 INFO [main.py:798]
{rank 0/64} MD step = 367600 step time: 00:00:00.360836 Performance: 36.487 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 18:37:21,835 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367600 73520 161.52 8411.7 17703 -9291.5 -9291.5 18.748 18.731 8.6693 1.6771e+05 2024-05-09 18:38:01,603 INFO [main.py:798]
{rank 0/64} MD step = 367700 step time: 00:00:00.393578 Performance: 36.487 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 18:38:09,859 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367700 73540 160.55 8515 17597 -9082 -9082 18.752 18.738 8.6726 1.6779e+05 2024-05-09 18:38:49,334 INFO [main.py:798]
{rank 0/64} MD step = 367800 step time: 00:00:00.426881 Performance: 36.487 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 18:38:56,974 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367800 73560 158.69 8218.5 17393 -9174.4 -9174.4 18.756 18.741 8.6744 1.6783e+05 2024-05-09 18:39:34,984 INFO [main.py:798]
{rank 0/64} MD step = 367900 step time: 00:00:00.398944 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:39:44,745 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 367900 73580 161.82 8532.8 17735 -9202.5 -9202.5 18.764 18.745 8.6755 1.6789e+05 2024-05-09 18:40:23,452 INFO [main.py:798]
{rank 0/64} MD step = 368000 step time: 00:00:00.373250 Performance: 36.487 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 18:40:30,776 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 368000 73600 160.27 8308.2 17566 -9257.9 -9257.9 18.769 18.749 8.6793 1.6792e+05 2024-05-09 18:41:12,973 INFO [main.py:798]
{rank 0/64} MD step = 368100 step time: 00:00:00.397965 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 18:41:20,562 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 368100 73620 159.68 8278.6 17501 -9222.8 -9222.8 18.773 18.756 8.6819 1.6794e+05 2024-05-09 18:41:58,551 INFO [main.py:798]
{rank 0/64} MD step = 368200 step time: 00:00:00.393963 Performance: 36.487 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 18:42:06,478 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 368200 73640 159.88 8375.7 17523 -9147.4 -9147.4 18.779 18.76 8.6856 1.6799e+05 2024-05-09 18:42:44,870 INFO [main.py:798]
{rank 0/64} MD step = 368300 step time: 00:00:00.406906 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:42:53,620 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 368300 73660 161.41 8443.9 17691 -9246.6 -9246.6 18.784 18.766 8.6895 1.6804e+05 2024-05-09 18:43:31,919 INFO [main.py:798]
{rank 0/64} MD step = 368400 step time: 00:00:00.422189 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:43:41,081 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 368400 73680 159.75 8408.8 17509 -9100 -9100 18.79 18.771 8.6931 1.6807e+05 2024-05-09 18:44:21,918 INFO [main.py:798]
{rank 0/64} MD step = 368500 step time: 00:00:00.413760 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 18:44:27,669 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 368500 73700 159.88 8341.8 17523 -9181 -9181 18.795 18.775 8.6953 1.6815e+05 2024-05-09 18:45:06,891 INFO [main.py:798]
{rank 0/64} MD step = 368600 step time: 00:00:00.377936 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:45:13,702 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 368600 73720 161.47 8350.2 17697 -9347.2 -9347.2 18.798 18.78 8.6979 1.6819e+05 2024-05-09 18:45:53,351 INFO [main.py:798]
{rank 0/64} MD step = 368700 step time: 00:00:00.447979 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:46:00,057 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 368700 73740 160.34 8348.5 17574 -9225.4 -9225.4 18.805 18.782 8.6984 1.6824e+05 2024-05-09 18:46:38,903 INFO [main.py:798]
{rank 0/64} MD step = 368800 step time: 00:00:00.431736 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:46:45,090 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 368800 73760 159.18 8206.8 17446 -9239.5 -9239.5 18.809 18.786 8.6995 1.6832e+05 2024-05-09 18:47:23,904 INFO [main.py:798]
{rank 0/64} MD step = 368900 step time: 00:00:00.393903 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:47:30,645 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 368900 73780 159.73 8410.1 17506 -9096.3 -9096.3 18.816 18.792 8.7011 1.6836e+05 2024-05-09 18:48:10,361 INFO [main.py:798]
{rank 0/64} MD step = 369000 step time: 00:00:00.386567 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:48:17,635 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369000 73800 161.93 8583.2 17748 -9164.4 -9164.4 18.82 18.798 8.7029 1.6841e+05 2024-05-09 18:48:56,846 INFO [main.py:798]
{rank 0/64} MD step = 369100 step time: 00:00:00.395651 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:49:07,454 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369100 73820 159.35 8379.8 17465 -9084.9 -9084.9 18.827 18.806 8.7034 1.6847e+05 2024-05-09 18:49:46,254 INFO [main.py:798]
{rank 0/64} MD step = 369200 step time: 00:00:00.400079 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:49:52,556 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369200 73840 161.27 8580.2 17675 -9095 -9095 18.833 18.812 8.7059 1.6848e+05 2024-05-09 18:50:31,026 INFO [main.py:798]
{rank 0/64} MD step = 369300 step time: 00:00:00.381974 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:50:38,176 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369300 73860 161.27 8335 17676 -9340.7 -9340.7 18.839 18.815 8.707 1.6852e+05 2024-05-09 18:51:15,593 INFO [main.py:798]
{rank 0/64} MD step = 369400 step time: 00:00:00.376905 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:51:23,980 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369400 73880 162.46 8601.5 17806 -9204.2 -9204.2 18.845 18.821 8.711 1.6858e+05 2024-05-09 18:52:01,782 INFO [main.py:798]
{rank 0/64} MD step = 369500 step time: 00:00:00.407804 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:52:10,136 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369500 73900 161.04 8414.7 17650 -9235.4 -9235.4 18.85 18.828 8.713 1.6861e+05 2024-05-09 18:52:48,924 INFO [main.py:798]
{rank 0/64} MD step = 369600 step time: 00:00:00.401461 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:52:58,292 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369600 73920 157.84 8050.8 17299 -9248.3 -9248.3 18.859 18.833 8.7149 1.6865e+05 2024-05-09 18:53:36,636 INFO [main.py:798]
{rank 0/64} MD step = 369700 step time: 00:00:00.423429 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:53:44,046 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369700 73940 159.9 8348.5 17525 -9176.8 -9176.8 18.865 18.837 8.7174 1.6868e+05 2024-05-09 18:54:21,316 INFO [main.py:798]
{rank 0/64} MD step = 369800 step time: 00:00:00.398229 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:54:31,199 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369800 73960 158.08 8200 17326 -9126.2 -9126.2 18.87 18.842 8.7221 1.6872e+05 2024-05-09 18:55:12,245 INFO [main.py:798]
{rank 0/64} MD step = 369900 step time: 00:00:00.382129 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:55:19,763 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 369900 73980 162.09 8631 17765 -9133.7 -9133.7 18.876 18.848 8.7254 1.6879e+05 2024-05-09 18:55:58,397 INFO [main.py:798]
{rank 0/64} MD step = 370000 step time: 00:00:00.404431 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:56:05,771 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370000 74000 159.88 8383.3 17523 -9140 -9140 18.883 18.854 8.7285 1.6885e+05 2024-05-09 18:56:43,219 INFO [main.py:798]
{rank 0/64} MD step = 370100 step time: 00:00:00.398355 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:56:57,801 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370100 74020 161.19 8455.7 17667 -9211.2 -9211.2 18.887 18.861 8.7314 1.6889e+05 2024-05-09 18:57:36,834 INFO [main.py:798]
{rank 0/64} MD step = 370200 step time: 00:00:00.429120 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:57:46,319 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370200 74040 158.57 8172 17380 -9207.7 -9207.7 18.89 18.864 8.7322 1.689e+05 2024-05-09 18:58:24,985 INFO [main.py:798]
{rank 0/64} MD step = 370300 step time: 00:00:00.434622 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:58:36,818 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370300 74060 160.55 8519.8 17596 -9076.4 -9076.4 18.895 18.87 8.7337 1.6898e+05 2024-05-09 18:59:15,076 INFO [main.py:798]
{rank 0/64} MD step = 370400 step time: 00:00:00.416576 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 18:59:23,376 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370400 74080 161.3 8374.4 17679 -9304.4 -9304.4 18.901 18.875 8.7337 1.6898e+05 2024-05-09 19:00:01,463 INFO [main.py:798]
{rank 0/64} MD step = 370500 step time: 00:00:00.392384 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:00:09,847 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370500 74100 159.06 8224.2 17434 -9209.6 -9209.6 18.907 18.88 8.7358 1.6907e+05 2024-05-09 19:00:51,525 INFO [main.py:798]
{rank 0/64} MD step = 370600 step time: 00:00:00.390156 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:01:01,743 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370600 74120 156.54 7948.8 17157 -9208.3 -9208.3 18.911 18.885 8.7381 1.6909e+05 2024-05-09 19:01:37,007 INFO [main.py:798]
{rank 0/64} MD step = 370700 step time: 00:00:00.388383 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:01:48,058 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370700 74140 160.89 8556.4 17633 -9076.9 -9076.9 18.915 18.891 8.7408 1.6914e+05 2024-05-09 19:02:26,768 INFO [main.py:798]
{rank 0/64} MD step = 370800 step time: 00:00:00.411485 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:02:34,204 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370800 74160 159.62 8315.2 17494 -9179.1 -9179.1 18.921 18.897 8.7444 1.6919e+05 2024-05-09 19:03:12,666 INFO [main.py:798]
{rank 0/64} MD step = 370900 step time: 00:00:00.393273 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:03:19,998 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 370900 74180 158.9 8139.4 17416 -9276.6 -9276.6 18.926 18.903 8.7453 1.6923e+05 2024-05-09 19:03:57,544 INFO [main.py:798]
{rank 0/64} MD step = 371000 step time: 00:00:00.353954 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:04:05,779 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 371000 74200 159.19 8210.6 17447 -9236.9 -9236.9 18.932 18.907 8.7492 1.6929e+05 2024-05-09 19:04:42,867 INFO [main.py:798]
{rank 0/64} MD step = 371100 step time: 00:00:00.401490 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:04:52,536 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 371100 74220 161.51 8531.5 17701 -9169.8 -9169.8 18.937 18.913 8.7527 1.6936e+05 2024-05-09 19:05:31,146 INFO [main.py:798]
{rank 0/64} MD step = 371200 step time: 00:00:00.362177 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:05:41,782 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 371200 74240 159.6 8300.9 17492 -9191.5 -9191.5 18.943 18.919 8.7529 1.6938e+05 2024-05-09 19:06:19,854 INFO [main.py:798]
{rank 0/64} MD step = 371300 step time: 00:00:00.393117 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:06:26,660 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 371300 74260 159.74 8316.3 17508 -9192 -9192 18.948 18.928 8.754 1.6945e+05 2024-05-09 19:07:05,613 INFO [main.py:798]
{rank 0/64} MD step = 371400 step time: 00:00:00.375454 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:07:13,257 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 371400 74280 160.35 8341 17575 -9233.9 -9233.9 18.952 18.933 8.7543 1.6948e+05 2024-05-09 19:07:49,827 INFO [main.py:798]
{rank 0/64} MD step = 371500 step time: 00:00:00.335859 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:07:57,986 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 371500 74300 159.37 8320.5 17467 -9146.4 -9146.4 18.958 18.939 8.7559 1.6952e+05 2024-05-09 19:08:36,560 INFO [main.py:798]
{rank 0/64} MD step = 371600 step time: 00:00:00.389289 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:08:48,453 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 371600 74320 161.55 8592 17706 -9114.5 -9114.5 18.963 18.943 8.7585 1.6956e+05 2024-05-09 19:09:27,578 INFO [main.py:798]
{rank 0/64} MD step = 371700 step time: 00:00:00.361634 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:09:34,741 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 371700 74340 156.39 7978.4 17141 -9162.6 -9162.6 18.969 18.949 8.7615 1.6962e+05 2024-05-09 19:10:12,147 INFO [main.py:798]
{rank 0/64} MD step = 371800 step time: 00:00:00.366109 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:10:18,631 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 371800 74360 158.45 8138.7 17367 -9228.1 -9228.1 18.975 18.954 8.7632 1.6962e+05 2024-05-09 19:10:57,632 INFO [main.py:798]
{rank 0/64} MD step = 371900 step time: 00:00:00.364880 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:11:03,934 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 371900 74380 160.73 8249.7 17616 -9366.3 -9366.3 18.982 18.96 8.7676 1.6969e+05 2024-05-09 19:11:42,239 INFO [main.py:798]
{rank 0/64} MD step = 372000 step time: 00:00:00.395394 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:11:49,742 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372000 74400 158.97 8193.2 17423 -9230.2 -9230.2 18.988 18.965 8.7684 1.6975e+05 2024-05-09 19:12:29,114 INFO [main.py:798]
{rank 0/64} MD step = 372100 step time: 00:00:00.388449 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:12:37,359 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372100 74420 160.22 8128.8 17560 -9431.1 -9431.1 18.992 18.972 8.7696 1.6976e+05 2024-05-09 19:13:16,177 INFO [main.py:798]
{rank 0/64} MD step = 372200 step time: 00:00:00.380553 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:13:23,468 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372200 74440 160.05 8376.3 17541 -9164.9 -9164.9 18.999 18.977 8.7725 1.6985e+05 2024-05-09 19:14:02,213 INFO [main.py:798]
{rank 0/64} MD step = 372300 step time: 00:00:00.373382 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:14:11,524 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372300 74460 158.18 8173.8 17337 -9163.4 -9163.4 19.005 18.982 8.7732 1.6986e+05 2024-05-09 19:14:50,720 INFO [main.py:798]
{rank 0/64} MD step = 372400 step time: 00:00:00.368782 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:14:59,033 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372400 74480 159.33 8202.2 17462 -9260.2 -9260.2 19.009 18.987 8.7758 1.6986e+05 2024-05-09 19:15:37,142 INFO [main.py:798]
{rank 0/64} MD step = 372500 step time: 00:00:00.387316 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:15:44,119 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372500 74500 160.94 8479 17639 -9159.8 -9159.8 19.014 18.994 8.7783 1.6992e+05 2024-05-09 19:16:22,457 INFO [main.py:798]
{rank 0/64} MD step = 372600 step time: 00:00:00.390812 Performance: 36.491 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:16:30,985 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372600 74520 160.27 8408.2 17566 -9157.7 -9157.7 19.02 18.998 8.7808 1.6998e+05 2024-05-09 19:17:11,998 INFO [main.py:798]
{rank 0/64} MD step = 372700 step time: 00:00:00.405773 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:17:20,848 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372700 74540 159.8 8256.7 17514 -9257.5 -9257.5 19.024 19.004 8.7827 1.7e+05 2024-05-09 19:18:03,326 INFO [main.py:798]
{rank 0/64} MD step = 372800 step time: 00:00:00.407150 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:18:11,722 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372800 74560 160.15 8380 17553 -9172.7 -9172.7 19.03 19.008 8.7852 1.7008e+05 2024-05-09 19:18:50,418 INFO [main.py:798]
{rank 0/64} MD step = 372900 step time: 00:00:00.395922 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:18:59,207 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 372900 74580 161.41 8462.9 17691 -9228 -9228 19.037 19.013 8.7889 1.7007e+05 2024-05-09 19:19:37,278 INFO [main.py:798]
{rank 0/64} MD step = 373000 step time: 00:00:00.362056 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:19:44,141 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 373000 74600 155.89 7783.6 17086 -9302.4 -9302.4 19.041 19.019 8.7916 1.7015e+05 2024-05-09 19:20:21,323 INFO [main.py:798]
{rank 0/64} MD step = 373100 step time: 00:00:00.372442 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:20:33,524 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 373100 74620 161.29 8443.1 17678 -9234.7 -9234.7 19.043 19.025 8.7922 1.7017e+05 2024-05-09 19:21:12,859 INFO [main.py:798]
{rank 0/64} MD step = 373200 step time: 00:00:00.376098 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:21:20,338 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 373200 74640 159.34 8158.1 17463 -9305.2 -9305.2 19.048 19.032 8.7924 1.7021e+05 2024-05-09 19:22:00,594 INFO [main.py:798]
{rank 0/64} MD step = 373300 step time: 00:00:00.355571 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:22:10,088 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 373300 74660 161.43 8579.1 17693 -9114.1 -9114.1 19.054 19.037 8.7938 1.7026e+05 2024-05-09 19:22:49,989 INFO [main.py:798]
{rank 0/64} MD step = 373400 step time: 00:00:00.397951 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:22:58,658 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 373400 74680 158.32 8125.4 17352 -9227 -9227 19.057 19.042 8.7962 1.7031e+05 2024-05-09 19:23:37,885 INFO [main.py:798]
{rank 0/64} MD step = 373500 step time: 00:00:00.389977 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:23:45,845 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 373500 74700 159.13 8222 17440 -9218.4 -9218.4 19.061 19.047 8.7999 1.7036e+05 2024-05-09 19:24:24,316 INFO [main.py:798]
{rank 0/64} MD step = 373600 step time: 00:00:00.375805 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:24:35,673 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 373600 74720 160.32 8370.3 17571 -9201 -9201 19.067 19.051 8.8014 1.7039e+05 2024-05-09 19:25:14,399 INFO [main.py:798]
{rank 0/64} MD step = 373700 step time: 00:00:00.404756 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:25:22,545 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 373700 74740 156.45 8004.7 17147 -9142.2 -9142.2 19.072 19.058 8.8053 1.7044e+05 2024-05-09 19:26:02,474 INFO [main.py:798]
{rank 0/64} MD step = 373800 step time: 00:00:00.396249 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:26:09,427 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 373800 74760 157.3 8110.6 17241 -9130 -9130 19.078 19.062 8.8067 1.7049e+05 2024-05-09 19:26:49,021 INFO [main.py:798]
{rank 0/64} MD step = 373900 step time: 00:00:00.397830 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:26:55,864 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 373900 74780 156.91 8068.1 17197 -9128.9 -9128.9 19.082 19.067 8.8101 1.7053e+05 2024-05-09 19:27:35,460 INFO [main.py:798]
{rank 0/64} MD step = 374000 step time: 00:00:00.400740 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:27:41,793 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 374000 74800 159.23 8228.2 17452 -9223.5 -9223.5 19.089 19.072 8.8106 1.7056e+05 2024-05-09 19:28:21,985 INFO [main.py:798]
{rank 0/64} MD step = 374100 step time: 00:00:00.390633 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:28:28,990 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 374100 74820 160.85 8402 17630 -9227.8 -9227.8 19.095 19.077 8.8136 1.7061e+05 2024-05-09 19:29:06,899 INFO [main.py:798]
{rank 0/64} MD step = 374200 step time: 00:00:00.402419 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:29:15,694 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 374200 74840 159.75 8313.9 17508 -9194.5 -9194.5 19.099 19.082 8.8158 1.7068e+05 2024-05-09 19:29:54,436 INFO [main.py:798]
{rank 0/64} MD step = 374300 step time: 00:00:00.387888 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:30:02,377 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 374300 74860 156.79 7956.6 17185 -9228.1 -9228.1 19.101 19.085 8.8179 1.707e+05 2024-05-09 19:30:39,943 INFO [main.py:798]
{rank 0/64} MD step = 374400 step time: 00:00:00.388980 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:30:47,517 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 374400 74880 162.8 8579.8 17843 -9263.6 -9263.6 19.105 19.09 8.8218 1.7079e+05 2024-05-09 19:31:27,497 INFO [main.py:798]
{rank 0/64} MD step = 374500 step time: 00:00:00.369342 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:31:40,508 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 374500 74900 160.28 8597.4 17567 -8969.9 -8969.9 19.11 19.094 8.8255 1.7081e+05 2024-05-09 19:32:19,057 INFO [main.py:798]
{rank 0/64} MD step = 374600 step time: 00:00:00.367194 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:32:27,868 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 374600 74920 158.87 8401.9 17412 -9010.1 -9010.1 19.114 19.098 8.8277 1.7087e+05 2024-05-09 19:33:08,750 INFO [main.py:798]
{rank 0/64} MD step = 374700 step time: 00:00:00.402394 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:33:17,828 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 374700 74940 160.34 8339.2 17573 -9233.8 -9233.8 19.118 19.103 8.8288 1.7089e+05 2024-05-09 19:33:56,096 INFO [main.py:798]
{rank 0/64} MD step = 374800 step time: 00:00:00.397476 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:34:02,439 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 374800 74960 163.12 8621 17878 -9257.4 -9257.4 19.122 19.109 8.8313 1.7095e+05 2024-05-09 19:34:41,565 INFO [main.py:798]
{rank 0/64} MD step = 374900 step time: 00:00:00.411615 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:34:49,087 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 374900 74980 158.55 8161.2 17378 -9216.5 -9216.5 19.127 19.114 8.8355 1.7099e+05 2024-05-09 19:35:28,228 INFO [main.py:798]
{rank 0/64} MD step = 375000 step time: 00:00:00.435762 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:35:35,774 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 375000 75000 158.59 8173.9 17382 -9207.6 -9207.6 19.132 19.119 8.8383 1.7102e+05 2024-05-09 19:36:17,543 INFO [main.py:798]
{rank 0/64} MD step = 375100 step time: 00:00:00.388939 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:36:27,258 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 375100 75020 159.39 8279.3 17470 -9190.4 -9190.4 19.138 19.126 8.8405 1.7106e+05 2024-05-09 19:37:05,814 INFO [main.py:798]
{rank 0/64} MD step = 375200 step time: 00:00:00.393858 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:37:15,882 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 375200 75040 158.42 8027.8 17363 -9335.3 -9335.3 19.144 19.131 8.842 1.7109e+05 2024-05-09 19:37:54,451 INFO [main.py:798]
{rank 0/64} MD step = 375300 step time: 00:00:00.374267 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:38:00,998 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 375300 75060 160.1 8355.1 17547 -9191.7 -9191.7 19.15 19.136 8.8441 1.7113e+05 2024-05-09 19:38:42,092 INFO [main.py:798]
{rank 0/64} MD step = 375400 step time: 00:00:00.381328 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:38:52,609 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 375400 75080 158.97 8085 17423 -9338.2 -9338.2 19.155 19.142 8.8463 1.7118e+05 2024-05-09 19:39:32,600 INFO [main.py:798]
{rank 0/64} MD step = 375500 step time: 00:00:00.383583 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:39:42,760 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 375500 75100 160.66 8430.6 17609 -9177.9 -9177.9 19.16 19.147 8.849 1.7127e+05 2024-05-09 19:40:21,323 INFO [main.py:798]
{rank 0/64} MD step = 375600 step time: 00:00:00.362953 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:40:27,717 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 375600 75120 159.88 8491.2 17523 -9031.4 -9031.4 19.166 19.154 8.8506 1.713e+05 2024-05-09 19:41:06,285 INFO [main.py:798]
{rank 0/64} MD step = 375700 step time: 00:00:00.374961 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:41:15,551 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 375700 75140 162.36 8628.3 17795 -9166.3 -9166.3 19.171 19.159 8.854 1.7134e+05 2024-05-09 19:41:54,599 INFO [main.py:798]
{rank 0/64} MD step = 375800 step time: 00:00:00.374165 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:42:02,028 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 375800 75160 159.5 8204.3 17482 -9277.5 -9277.5 19.174 19.163 8.8559 1.7137e+05 2024-05-09 19:42:41,182 INFO [main.py:798]
{rank 0/64} MD step = 375900 step time: 00:00:00.422064 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:42:49,047 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 375900 75180 158.24 8086 17343 -9257.4 -9257.4 19.178 19.168 8.8597 1.7144e+05 2024-05-09 19:43:28,372 INFO [main.py:798]
{rank 0/64} MD step = 376000 step time: 00:00:00.411237 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:43:36,272 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376000 75200 159.62 8304.6 17494 -9189.5 -9189.5 19.184 19.173 8.8626 1.7148e+05 2024-05-09 19:44:16,749 INFO [main.py:798]
{rank 0/64} MD step = 376100 step time: 00:00:00.380759 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:44:23,791 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376100 75220 160.39 8302.8 17579 -9275.9 -9275.9 19.19 19.179 8.8646 1.7151e+05 2024-05-09 19:45:03,631 INFO [main.py:798]
{rank 0/64} MD step = 376200 step time: 00:00:00.391915 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:45:14,769 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376200 75240 161.22 8463.1 17669 -9206.3 -9206.3 19.195 19.185 8.8673 1.7157e+05 2024-05-09 19:45:54,380 INFO [main.py:798]
{rank 0/64} MD step = 376300 step time: 00:00:00.347229 Performance: 36.487 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 19:46:01,086 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376300 75260 160.29 8459.7 17568 -9108.4 -9108.4 19.199 19.191 8.8702 1.7161e+05 2024-05-09 19:46:40,417 INFO [main.py:798]
{rank 0/64} MD step = 376400 step time: 00:00:00.378353 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:46:54,576 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376400 75280 157.78 7969 17293 -9323.6 -9323.6 19.203 19.196 8.8722 1.7166e+05 2024-05-09 19:47:31,714 INFO [main.py:798]
{rank 0/64} MD step = 376500 step time: 00:00:00.343961 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 19:47:38,947 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376500 75300 159.26 8364.9 17455 -9090 -9090 19.209 19.201 8.8767 1.7171e+05 2024-05-09 19:48:18,288 INFO [main.py:798]
{rank 0/64} MD step = 376600 step time: 00:00:00.371428 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 19:48:25,778 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376600 75320 161.03 8395.8 17649 -9253.6 -9253.6 19.215 19.206 8.8788 1.7175e+05 2024-05-09 19:49:04,022 INFO [main.py:798]
{rank 0/64} MD step = 376700 step time: 00:00:00.377587 Performance: 36.487 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 19:49:14,474 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376700 75340 161.32 8491.4 17681 -9189.5 -9189.5 19.221 19.212 8.8832 1.7179e+05 2024-05-09 19:49:53,864 INFO [main.py:798]
{rank 0/64} MD step = 376800 step time: 00:00:00.337771 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 19:50:00,817 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376800 75360 159.2 8301.3 17448 -9146.9 -9146.9 19.228 19.219 8.885 1.7184e+05 2024-05-09 19:50:40,194 INFO [main.py:798]
{rank 0/64} MD step = 376900 step time: 00:00:00.371694 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 19:50:48,117 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 376900 75380 161.14 8474.8 17661 -9186.3 -9186.3 19.232 19.223 8.8867 1.719e+05 2024-05-09 19:51:28,248 INFO [main.py:798]
{rank 0/64} MD step = 377000 step time: 00:00:00.386359 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 19:51:36,331 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377000 75400 157.45 8082.2 17257 -9174.7 -9174.7 19.239 19.23 8.8907 1.7193e+05 2024-05-09 19:52:14,767 INFO [main.py:798]
{rank 0/64} MD step = 377100 step time: 00:00:00.376678 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 19:52:22,788 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377100 75420 161.13 8363.9 17660 -9295.7 -9295.7 19.243 19.235 8.8931 1.7199e+05 2024-05-09 19:53:01,560 INFO [main.py:798]
{rank 0/64} MD step = 377200 step time: 00:00:00.362486 Performance: 36.487 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 19:53:08,406 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377200 75440 162.04 8533.2 17760 -9226.3 -9226.3 19.248 19.239 8.8951 1.7202e+05 2024-05-09 19:53:46,405 INFO [main.py:798]
{rank 0/64} MD step = 377300 step time: 00:00:00.355782 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 19:54:02,415 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377300 75460 158.86 8179.3 17412 -9232.3 -9232.3 19.255 19.244 8.8987 1.7206e+05 2024-05-09 19:54:40,850 INFO [main.py:798]
{rank 0/64} MD step = 377400 step time: 00:00:00.399126 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 19:54:51,839 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377400 75480 162.62 8661 17824 -9162.5 -9162.5 19.261 19.247 8.8997 1.721e+05 2024-05-09 19:55:30,876 INFO [main.py:798]
{rank 0/64} MD step = 377500 step time: 00:00:00.452717 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 19:55:39,703 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377500 75500 160.32 8377.8 17571 -9193.7 -9193.7 19.265 19.252 8.902 1.7214e+05 2024-05-09 19:56:19,007 INFO [main.py:798]
{rank 0/64} MD step = 377600 step time: 00:00:00.376609 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 19:56:29,217 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377600 75520 159.9 8257.4 17526 -9268.3 -9268.3 19.27 19.257 8.9039 1.7217e+05 2024-05-09 19:57:07,108 INFO [main.py:798]
{rank 0/64} MD step = 377700 step time: 00:00:00.389256 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 19:57:14,659 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377700 75540 159.57 8354 17489 -9134.5 -9134.5 19.275 19.261 8.9075 1.7221e+05 2024-05-09 19:57:52,656 INFO [main.py:798]
{rank 0/64} MD step = 377800 step time: 00:00:00.385158 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 19:58:00,630 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377800 75560 160.12 8340.4 17550 -9209.1 -9209.1 19.278 19.266 8.9098 1.7223e+05 2024-05-09 19:58:38,821 INFO [main.py:798]
{rank 0/64} MD step = 377900 step time: 00:00:00.402033 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 19:58:45,442 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 377900 75580 160.76 8450.5 17620 -9169.5 -9169.5 19.284 19.27 8.9131 1.723e+05 2024-05-09 19:59:23,693 INFO [main.py:798]
{rank 0/64} MD step = 378000 step time: 00:00:00.398595 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 19:59:30,547 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378000 75600 161.86 8460.3 17740 -9279.5 -9279.5 19.289 19.274 8.9159 1.7234e+05 2024-05-09 20:00:08,977 INFO [main.py:798]
{rank 0/64} MD step = 378100 step time: 00:00:00.397331 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:00:14,543 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378100 75620 160.61 8316.5 17603 -9286.1 -9286.1 19.293 19.28 8.9186 1.7236e+05 2024-05-09 20:00:54,842 INFO [main.py:798]
{rank 0/64} MD step = 378200 step time: 00:00:00.410238 Performance: 36.487 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:01:02,956 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378200 75640 159.65 8324.5 17498 -9173.2 -9173.2 19.299 19.284 8.9214 1.7241e+05 2024-05-09 20:01:41,703 INFO [main.py:798]
{rank 0/64} MD step = 378300 step time: 00:00:00.413330 Performance: 36.487 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:01:51,147 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378300 75660 157.67 8058.3 17281 -9222.9 -9222.9 19.305 19.289 8.9239 1.7245e+05 2024-05-09 20:02:29,445 INFO [main.py:798]
{rank 0/64} MD step = 378400 step time: 00:00:00.399320 Performance: 36.487 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:02:40,829 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378400 75680 160.73 8469.2 17616 -9146.8 -9146.8 19.308 19.295 8.9262 1.7252e+05 2024-05-09 20:03:19,289 INFO [main.py:798]
{rank 0/64} MD step = 378500 step time: 00:00:00.406778 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:03:27,970 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378500 75700 159.29 8240.2 17458 -9218.2 -9218.2 19.315 19.3 8.9286 1.7257e+05 2024-05-09 20:04:04,662 INFO [main.py:798]
{rank 0/64} MD step = 378600 step time: 00:00:00.383830 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:04:15,511 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378600 75720 159.93 8441.4 17529 -9087.1 -9087.1 19.32 19.304 8.931 1.7262e+05 2024-05-09 20:04:53,465 INFO [main.py:798]
{rank 0/64} MD step = 378700 step time: 00:00:00.440940 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:05:02,313 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378700 75740 161.94 8527.7 17749 -9221.1 -9221.1 19.325 19.307 8.932 1.7266e+05 2024-05-09 20:05:41,041 INFO [main.py:798]
{rank 0/64} MD step = 378800 step time: 00:00:00.422652 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:05:49,861 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378800 75760 160.08 8445.2 17545 -9099.6 -9099.6 19.33 19.313 8.9345 1.7272e+05 2024-05-09 20:06:28,739 INFO [main.py:798]
{rank 0/64} MD step = 378900 step time: 00:00:00.397291 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:06:40,847 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 378900 75780 158.87 8337.1 17413 -9075.7 -9075.7 19.336 19.318 8.9356 1.7276e+05 2024-05-09 20:07:19,818 INFO [main.py:798]
{rank 0/64} MD step = 379000 step time: 00:00:00.401069 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:07:27,698 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 379000 75800 159.39 8146.1 17470 -9323.8 -9323.8 19.341 19.323 8.9381 1.7279e+05 2024-05-09 20:08:06,109 INFO [main.py:798]
{rank 0/64} MD step = 379100 step time: 00:00:00.385926 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:08:13,103 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 379100 75820 159.39 8345.2 17469 -9124.3 -9124.3 19.346 19.331 8.9407 1.7284e+05 2024-05-09 20:08:50,975 INFO [main.py:798]
{rank 0/64} MD step = 379200 step time: 00:00:00.385540 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:09:11,761 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 379200 75840 160.14 8288.7 17551 -9262.3 -9262.3 19.351 19.336 8.9426 1.7292e+05 2024-05-09 20:09:52,889 INFO [main.py:798]
{rank 0/64} MD step = 379300 step time: 00:00:00.379603 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:09:59,603 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 379300 75860 160.23 8423.1 17561 -9138 -9138 19.357 19.342 8.9457 1.7296e+05 2024-05-09 20:10:40,471 INFO [main.py:798]
{rank 0/64} MD step = 379400 step time: 00:00:00.393721 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:10:48,300 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 379400 75880 159.19 8241.5 17448 -9206.1 -9206.1 19.363 19.347 8.9476 1.7302e+05 2024-05-09 20:11:25,784 INFO [main.py:798]
{rank 0/64} MD step = 379500 step time: 00:00:00.389032 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:11:31,736 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 379500 75900 160.4 8339.2 17580 -9240.9 -9240.9 19.367 19.353 8.9493 1.7307e+05 2024-05-09 20:12:10,652 INFO [main.py:798]
{rank 0/64} MD step = 379600 step time: 00:00:00.405616 Performance: 36.484 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:12:16,855 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 379600 75920 159.76 8251.2 17510 -9258.7 -9258.7 19.374 19.356 8.9508 1.731e+05 2024-05-09 20:12:54,879 INFO [main.py:798]
{rank 0/64} MD step = 379700 step time: 00:00:00.379651 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:13:02,314 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 379700 75940 158.59 8178.7 17382 -9202.9 -9202.9 19.378 19.36 8.9532 1.7312e+05 2024-05-09 20:13:40,363 INFO [main.py:798]
{rank 0/64} MD step = 379800 step time: 00:00:00.412038 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:13:47,693 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 379800 75960 158.63 8169.1 17386 -9216.9 -9216.9 19.383 19.365 8.9579 1.7318e+05 2024-05-09 20:14:25,863 INFO [main.py:798]
{rank 0/64} MD step = 379900 step time: 00:00:00.402471 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:14:37,010 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 379900 75980 158.85 8232.5 17410 -9177.9 -9177.9 19.386 19.37 8.963 1.7321e+05 2024-05-09 20:15:19,043 INFO [main.py:798]
{rank 0/64} MD step = 380000 step time: 00:00:00.399108 Performance: 36.484 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:15:26,416 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 380000 76000 157.99 8231.4 17315 -9084 -9084 19.393 19.375 8.9668 1.7327e+05 2024-05-09 20:16:05,447 INFO [main.py:798]
{rank 0/64} MD step = 380100 step time: 00:00:00.395741 Performance: 36.484 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:16:13,140 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 380100 76020 160.21 8440.4 17559 -9118.5 -9118.5 19.4 19.379 8.9693 1.7331e+05 2024-05-09 20:16:50,562 INFO [main.py:798]
{rank 0/64} MD step = 380200 step time: 00:00:00.362032 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:16:58,218 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 380200 76040 160.99 8458.3 17644 -9185.9 -9185.9 19.405 19.385 8.974 1.7336e+05 2024-05-09 20:17:37,593 INFO [main.py:798]
{rank 0/64} MD step = 380300 step time: 00:00:00.394009 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:17:48,803 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 380300 76060 158.52 8128 17374 -9246.2 -9246.2 19.411 19.389 8.9766 1.734e+05 2024-05-09 20:18:25,165 INFO [main.py:798]
{rank 0/64} MD step = 380400 step time: 00:00:00.342736 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:18:34,229 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 380400 76080 159.12 8221.3 17440 -9218.9 -9218.9 19.417 19.395 8.978 1.7343e+05 2024-05-09 20:19:13,095 INFO [main.py:798]
{rank 0/64} MD step = 380500 step time: 00:00:00.358407 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:19:27,995 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 380500 76100 159.55 8381.7 17487 -9104.8 -9104.8 19.422 19.399 8.9776 1.7352e+05 2024-05-09 20:20:05,389 INFO [main.py:798]
{rank 0/64} MD step = 380600 step time: 00:00:00.356732 Performance: 36.484 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:20:15,287 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 380600 76120 160.19 8242 17557 -9315.4 -9315.4 19.427 19.405 8.981 1.7351e+05 2024-05-09 20:20:55,021 INFO [main.py:798]
{rank 0/64} MD step = 380700 step time: 00:00:00.442919 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:21:03,638 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 380700 76140 159.17 8312.2 17445 -9132.7 -9132.7 19.432 19.409 8.985 1.7358e+05 2024-05-09 20:21:41,838 INFO [main.py:798]
{rank 0/64} MD step = 380800 step time: 00:00:00.410501 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:21:50,638 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 380800 76160 160.02 8280.2 17538 -9257.7 -9257.7 19.438 19.415 8.987 1.7363e+05 2024-05-09 20:22:27,573 INFO [main.py:798]
{rank 0/64} MD step = 380900 step time: 00:00:00.386239 Performance: 36.484 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:22:38,230 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 380900 76180 160.37 8405.1 17577 -9171.6 -9171.6 19.445 19.419 8.9896 1.7367e+05 2024-05-09 20:23:18,931 INFO [main.py:798]
{rank 0/64} MD step = 381000 step time: 00:00:00.410190 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:23:28,771 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 381000 76200 157.75 8121.7 17290 -9168.2 -9168.2 19.449 19.426 8.9915 1.7373e+05 2024-05-09 20:24:06,653 INFO [main.py:798]
{rank 0/64} MD step = 381100 step time: 00:00:00.415764 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:24:19,058 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 381100 76220 159.61 8313.9 17494 -9180 -9180 19.455 19.431 8.9934 1.7376e+05 2024-05-09 20:24:55,670 INFO [main.py:798]
{rank 0/64} MD step = 381200 step time: 00:00:00.403795 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:25:03,063 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 381200 76240 161.26 8346.7 17675 -9328 -9328 19.461 19.436 8.9952 1.738e+05 2024-05-09 20:25:44,822 INFO [main.py:798]
{rank 0/64} MD step = 381300 step time: 00:00:00.404580 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:25:52,855 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 381300 76260 160.68 8415.7 17611 -9195 -9195 19.465 19.443 8.9987 1.7384e+05 2024-05-09 20:26:31,210 INFO [main.py:798]
{rank 0/64} MD step = 381400 step time: 00:00:00.387895 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:26:36,717 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 381400 76280 156.76 7964.7 17181 -9216.4 -9216.4 19.47 19.45 8.9994 1.7387e+05 2024-05-09 20:27:17,314 INFO [main.py:798]
{rank 0/64} MD step = 381500 step time: 00:00:00.360015 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:27:27,191 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 381500 76300 162.07 8547.6 17763 -9214.9 -9214.9 19.475 19.456 9.0023 1.7391e+05 2024-05-09 20:28:04,814 INFO [main.py:798]
{rank 0/64} MD step = 381600 step time: 00:00:00.373225 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:28:17,218 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 381600 76320 160.21 8297.4 17560 -9262.1 -9262.1 19.479 19.462 9.0046 1.7398e+05 2024-05-09 20:28:56,180 INFO [main.py:798]
{rank 0/64} MD step = 381700 step time: 00:00:00.348905 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:29:03,816 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 381700 76340 161.91 8556 17746 -9190 -9190 19.484 19.469 9.0057 1.7396e+05 2024-05-09 20:29:40,577 INFO [main.py:798]
{rank 0/64} MD step = 381800 step time: 00:00:00.340756 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:29:51,362 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 381800 76360 159.69 8288.3 17502 -9213.6 -9213.6 19.488 19.472 9.0103 1.7399e+05 2024-05-09 20:30:30,939 INFO [main.py:798]
{rank 0/64} MD step = 381900 step time: 00:00:00.382994 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:30:40,688 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 381900 76380 159.25 8089.4 17454 -9365 -9365 19.493 19.477 9.0148 1.7404e+05 2024-05-09 20:31:20,248 INFO [main.py:798]
{rank 0/64} MD step = 382000 step time: 00:00:00.369503 Performance: 36.481 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:31:28,766 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 382000 76400 159.08 8234.1 17435 -9200.7 -9200.7 19.498 19.484 9.0158 1.7413e+05 2024-05-09 20:32:06,839 INFO [main.py:798]
{rank 0/64} MD step = 382100 step time: 00:00:00.378012 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:32:12,356 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 382100 76420 160.58 8448.6 17600 -9151.2 -9151.2 19.503 19.492 9.0188 1.7416e+05 2024-05-09 20:32:52,482 INFO [main.py:798]
{rank 0/64} MD step = 382200 step time: 00:00:00.349545 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:32:58,603 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 382200 76440 159.7 8347.1 17503 -9156.2 -9156.2 19.508 19.495 9.0211 1.7422e+05 2024-05-09 20:33:37,376 INFO [main.py:798]
{rank 0/64} MD step = 382300 step time: 00:00:00.342159 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:33:47,668 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 382300 76460 159.31 8177.1 17461 -9283.9 -9283.9 19.514 19.5 9.0236 1.7423e+05 2024-05-09 20:34:27,757 INFO [main.py:798]
{rank 0/64} MD step = 382400 step time: 00:00:00.352483 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:34:34,112 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 382400 76480 162.3 8631.9 17789 -9156.9 -9156.9 19.519 19.507 9.0289 1.7428e+05 2024-05-09 20:35:15,831 INFO [main.py:798]
{rank 0/64} MD step = 382500 step time: 00:00:00.395235 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:35:22,829 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 382500 76500 158.62 8271.1 17385 -9113.8 -9113.8 19.525 19.512 9.0312 1.7432e+05 2024-05-09 20:36:01,898 INFO [main.py:798]
{rank 0/64} MD step = 382600 step time: 00:00:00.422267 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:36:10,192 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 382600 76520 161.98 8549.4 17754 -9204.3 -9204.3 19.529 19.517 9.0319 1.7435e+05 2024-05-09 20:36:49,095 INFO [main.py:798]
{rank 0/64} MD step = 382700 step time: 00:00:00.397797 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:36:55,674 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 382700 76540 159.95 8280.6 17530 -9249.7 -9249.7 19.535 19.523 9.0331 1.7439e+05 2024-05-09 20:37:34,589 INFO [main.py:798]
{rank 0/64} MD step = 382800 step time: 00:00:00.393646 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:37:42,486 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 382800 76560 157.66 8157.7 17280 -9122 -9122 19.542 19.526 9.0353 1.7446e+05 2024-05-09 20:38:21,285 INFO [main.py:798]
{rank 0/64} MD step = 382900 step time: 00:00:00.394728 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:38:27,728 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 382900 76580 159.86 8282.8 17521 -9237.9 -9237.9 19.548 19.532 9.0359 1.745e+05 2024-05-09 20:39:05,042 INFO [main.py:798]
{rank 0/64} MD step = 383000 step time: 00:00:00.384151 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:39:12,564 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 383000 76600 160.78 8420.7 17622 -9201.3 -9201.3 19.553 19.536 9.0374 1.7456e+05 2024-05-09 20:39:52,633 INFO [main.py:798]
{rank 0/64} MD step = 383100 step time: 00:00:00.397328 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:40:00,301 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 383100 76620 159.49 8287.5 17480 -9192.8 -9192.8 19.558 19.54 9.0408 1.7463e+05 2024-05-09 20:40:38,849 INFO [main.py:798]
{rank 0/64} MD step = 383200 step time: 00:00:00.383126 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:40:44,749 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 383200 76640 160.99 8517.4 17645 -9127.2 -9127.2 19.564 19.545 9.043 1.7465e+05 2024-05-09 20:41:24,045 INFO [main.py:798]
{rank 0/64} MD step = 383300 step time: 00:00:00.388743 Performance: 36.484 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:41:32,372 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 383300 76660 159.82 8323.7 17517 -9193 -9193 19.57 19.549 9.045 1.7471e+05 2024-05-09 20:42:11,299 INFO [main.py:798]
{rank 0/64} MD step = 383400 step time: 00:00:00.393897 Performance: 36.484 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:42:17,644 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 383400 76680 157.99 8099.7 17316 -9216.3 -9216.3 19.576 19.554 9.047 1.7474e+05 2024-05-09 20:42:56,468 INFO [main.py:798]
{rank 0/64} MD step = 383500 step time: 00:00:00.411258 Performance: 36.484 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:43:04,047 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 383500 76700 161.99 8446.8 17754 -9307.4 -9307.4 19.581 19.56 9.0508 1.7476e+05 2024-05-09 20:43:43,377 INFO [main.py:798]
{rank 0/64} MD step = 383600 step time: 00:00:00.372007 Performance: 36.484 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:43:51,846 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 383600 76720 161.25 8314.3 17674 -9359.4 -9359.4 19.589 19.564 9.0536 1.748e+05 2024-05-09 20:44:31,441 INFO [main.py:798]
{rank 0/64} MD step = 383700 step time: 00:00:00.409505 Performance: 36.484 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:44:36,644 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 383700 76740 158.12 8218.3 17330 -9111.8 -9111.8 19.595 19.567 9.0576 1.7488e+05 2024-05-09 20:45:16,099 INFO [main.py:798]
{rank 0/64} MD step = 383800 step time: 00:00:00.379572 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:45:25,048 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 383800 76760 159.58 8256.4 17490 -9233.6 -9233.6 19.601 19.573 9.06 1.749e+05 2024-05-09 20:46:03,827 INFO [main.py:798]
{rank 0/64} MD step = 383900 step time: 00:00:00.397636 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:46:10,087 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 383900 76780 158.74 8203.8 17398 -9194.2 -9194.2 19.608 19.577 9.0631 1.7496e+05 2024-05-09 20:46:48,558 INFO [main.py:798]
{rank 0/64} MD step = 384000 step time: 00:00:00.405003 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:46:57,254 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 384000 76800 159.49 8360.6 17480 -9119.7 -9119.7 19.614 19.583 9.0652 1.7503e+05 2024-05-09 20:47:35,272 INFO [main.py:798]
{rank 0/64} MD step = 384100 step time: 00:00:00.393025 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:47:41,563 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 384100 76820 162.78 8664.4 17841 -9176.3 -9176.3 19.62 19.588 9.0666 1.7506e+05 2024-05-09 20:48:21,963 INFO [main.py:798]
{rank 0/64} MD step = 384200 step time: 00:00:00.358397 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:48:29,221 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 384200 76840 159.36 8328.3 17466 -9137.6 -9137.6 19.627 19.594 9.0723 1.7511e+05 2024-05-09 20:49:07,359 INFO [main.py:798]
{rank 0/64} MD step = 384300 step time: 00:00:00.386299 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:49:17,031 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 384300 76860 159.82 8302.3 17516 -9213.9 -9213.9 19.632 19.599 9.0737 1.7513e+05 2024-05-09 20:49:54,732 INFO [main.py:798]
{rank 0/64} MD step = 384400 step time: 00:00:00.392191 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:50:03,671 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 384400 76880 159.18 8314.9 17446 -9131.5 -9131.5 19.639 19.604 9.0771 1.7517e+05 2024-05-09 20:50:43,005 INFO [main.py:798]
{rank 0/64} MD step = 384500 step time: 00:00:00.400979 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:50:50,643 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 384500 76900 161.09 8509.9 17655 -9145.3 -9145.3 19.643 19.608 9.0797 1.7525e+05 2024-05-09 20:51:28,320 INFO [main.py:798]
{rank 0/64} MD step = 384600 step time: 00:00:00.371640 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:51:35,545 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 384600 76920 160.95 8547.4 17640 -9092.5 -9092.5 19.65 19.612 9.0816 1.7529e+05 2024-05-09 20:52:14,576 INFO [main.py:798]
{rank 0/64} MD step = 384700 step time: 00:00:00.397004 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:52:20,436 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 384700 76940 159.26 8265.9 17455 -9189.2 -9189.2 19.654 19.617 9.0842 1.7535e+05 2024-05-09 20:53:00,760 INFO [main.py:798]
{rank 0/64} MD step = 384800 step time: 00:00:00.393374 Performance: 36.487 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:53:07,481 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 384800 76960 159.31 8302 17461 -9158.7 -9158.7 19.657 19.625 9.0849 1.7542e+05 2024-05-09 20:53:50,045 INFO [main.py:798]
{rank 0/64} MD step = 384900 step time: 00:00:00.364808 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:53:57,349 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 384900 76980 158.97 8239.6 17423 -9183.2 -9183.2 19.662 19.629 9.0869 1.7542e+05 2024-05-09 20:54:35,939 INFO [main.py:798]
{rank 0/64} MD step = 385000 step time: 00:00:00.366520 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:54:44,641 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 385000 77000 160.89 8392.1 17634 -9241.8 -9241.8 19.668 19.634 9.0906 1.7547e+05 2024-05-09 20:55:24,090 INFO [main.py:798]
{rank 0/64} MD step = 385100 step time: 00:00:00.365121 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:55:31,589 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 385100 77020 159.02 8040.4 17429 -9388.4 -9388.4 19.673 19.639 9.0908 1.755e+05 2024-05-09 20:56:12,024 INFO [main.py:798]
{rank 0/64} MD step = 385200 step time: 00:00:00.370592 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:56:24,023 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 385200 77040 161.83 8431.5 17736 -9304.8 -9304.8 19.679 19.644 9.0944 1.7559e+05 2024-05-09 20:57:02,451 INFO [main.py:798]
{rank 0/64} MD step = 385300 step time: 00:00:00.374824 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:57:12,206 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 385300 77060 158.25 8173.7 17344 -9170.6 -9170.6 19.684 19.649 9.0958 1.7561e+05 2024-05-09 20:57:50,338 INFO [main.py:798]
{rank 0/64} MD step = 385400 step time: 00:00:00.388911 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:57:58,930 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 385400 77080 156.36 7758.2 17138 -9379.6 -9379.6 19.689 19.655 9.0989 1.7565e+05 2024-05-09 20:58:38,009 INFO [main.py:798]
{rank 0/64} MD step = 385500 step time: 00:00:00.387445 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:58:46,302 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 385500 77100 160.38 8310.5 17578 -9267.6 -9267.6 19.693 19.662 9.1012 1.757e+05 2024-05-09 20:59:23,957 INFO [main.py:798]
{rank 0/64} MD step = 385600 step time: 00:00:00.395840 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 20:59:33,830 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 385600 77120 160.47 8439.6 17587 -9147.6 -9147.6 19.699 19.667 9.1024 1.7577e+05 2024-05-09 21:00:13,459 INFO [main.py:798]
{rank 0/64} MD step = 385700 step time: 00:00:00.398453 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 21:00:23,549 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 385700 77140 159.87 8303 17522 -9218.9 -9218.9 19.703 19.673 9.106 1.7581e+05 2024-05-09 21:00:59,787 INFO [main.py:798]
{rank 0/64} MD step = 385800 step time: 00:00:00.378240 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 21:01:08,920 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 385800 77160 160.07 8389.6 17544 -9154.4 -9154.4 19.708 19.675 9.1082 1.7586e+05 2024-05-09 21:01:47,136 INFO [main.py:798]
{rank 0/64} MD step = 385900 step time: 00:00:00.396643 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 21:01:54,544 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 385900 77180 160.57 8307.8 17599 -9290.9 -9290.9 19.711 19.681 9.1114 1.7591e+05 2024-05-09 21:02:33,271 INFO [main.py:798]
{rank 0/64} MD step = 386000 step time: 00:00:00.379028 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 21:02:41,409 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 386000 77200 160.92 8417.8 17637 -9219.4 -9219.4 19.715 19.687 9.1153 1.7593e+05 2024-05-09 21:03:20,142 INFO [main.py:798]
{rank 0/64} MD step = 386100 step time: 00:00:00.401359 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 21:03:28,821 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 386100 77220 161.42 8319.3 17691 -9372.2 -9372.2 19.719 19.691 9.1168 1.7597e+05 2024-05-09 21:04:08,681 INFO [main.py:798]
{rank 0/64} MD step = 386200 step time: 00:00:00.391480 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 21:04:16,912 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 386200 77240 161.52 8427.4 17703 -9275.2 -9275.2 19.724 19.695 9.1188 1.7601e+05 2024-05-09 21:04:55,391 INFO [main.py:798]
{rank 0/64} MD step = 386300 step time: 00:00:00.398016 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 21:05:04,178 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 386300 77260 160.36 8364.9 17575 -9210.5 -9210.5 19.729 19.7 9.122 1.7609e+05 2024-05-09 21:05:44,308 INFO [main.py:798]
{rank 0/64} MD step = 386400 step time: 00:00:00.407710 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 21:05:53,264 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 386400 77280 163.34 8738.8 17902 -9163.4 -9163.4 19.736 19.706 9.1237 1.7613e+05 2024-05-09 21:06:29,842 INFO [main.py:798]
{rank 0/64} MD step = 386500 step time: 00:00:00.344318 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 21:06:38,825 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 386500 77300 160.86 8366.9 17631 -9263.8 -9263.8 19.742 19.712 9.1273 1.7616e+05 2024-05-09 21:07:17,528 INFO [main.py:798]
{rank 0/64} MD step = 386600 step time: 00:00:00.391761 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 21:07:25,224 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 386600 77320 159.95 8310.1 17530 -9220.1 -9220.1 19.747 19.716 9.1291 1.7621e+05 2024-05-09 21:08:04,048 INFO [main.py:798]
{rank 0/64} MD step = 386700 step time: 00:00:00.371395 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 21:08:12,436 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 386700 77340 156.96 7971.7 17203 -9231.3 -9231.3 19.751 19.723 9.1309 1.7627e+05 2024-05-09 21:08:52,632 INFO [main.py:798]
{rank 0/64} MD step = 386800 step time: 00:00:00.363316 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 21:09:00,343 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 386800 77360 160.42 8385.1 17583 -9197.5 -9197.5 19.756 19.729 9.1341 1.7634e+05 2024-05-09 21:09:39,857 INFO [main.py:798]
{rank 0/64} MD step = 386900 step time: 00:00:00.409095 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 21:09:49,114 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 386900 77380 161.15 8440.6 17662 -9221.2 -9221.2 19.762 19.736 9.1364 1.7637e+05 2024-05-09 21:10:28,326 INFO [main.py:798]
{rank 0/64} MD step = 387000 step time: 00:00:00.403676 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 21:10:36,538 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387000 77400 160.28 8408.4 17567 -9158.7 -9158.7 19.766 19.742 9.1407 1.764e+05 2024-05-09 21:11:13,052 INFO [main.py:798]
{rank 0/64} MD step = 387100 step time: 00:00:00.390425 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 21:11:20,009 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387100 77420 161.54 8524.2 17705 -9180.4 -9180.4 19.772 19.747 9.1446 1.7644e+05 2024-05-09 21:11:57,456 INFO [main.py:798]
{rank 0/64} MD step = 387200 step time: 00:00:00.384236 Performance: 36.487 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 21:12:09,291 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387200 77440 159.55 8282 17487 -9204.7 -9204.7 19.778 19.75 9.1476 1.7645e+05 2024-05-09 21:12:47,834 INFO [main.py:798]
{rank 0/64} MD step = 387300 step time: 00:00:00.370451 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 21:12:57,609 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387300 77460 160.82 8285 17626 -9341.2 -9341.2 19.782 19.755 9.1476 1.7646e+05 2024-05-09 21:13:35,630 INFO [main.py:798]
{rank 0/64} MD step = 387400 step time: 00:00:00.390915 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 21:13:42,803 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387400 77480 158.41 8213.9 17362 -9147.7 -9147.7 19.787 19.759 9.152 1.7651e+05 2024-05-09 21:14:21,546 INFO [main.py:798]
{rank 0/64} MD step = 387500 step time: 00:00:00.411964 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 21:14:29,623 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387500 77500 159.91 8376.3 17527 -9150.5 -9150.5 19.792 19.765 9.1538 1.7653e+05 2024-05-09 21:15:07,435 INFO [main.py:798]
{rank 0/64} MD step = 387600 step time: 00:00:00.407755 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 21:15:16,394 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387600 77520 159.36 8333.1 17467 -9133.5 -9133.5 19.796 19.771 9.156 1.7665e+05 2024-05-09 21:15:55,521 INFO [main.py:798]
{rank 0/64} MD step = 387700 step time: 00:00:00.444103 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 21:16:02,950 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387700 77540 158.72 8245.8 17396 -9149.7 -9149.7 19.804 19.776 9.1599 1.7668e+05 2024-05-09 21:16:39,631 INFO [main.py:798]
{rank 0/64} MD step = 387800 step time: 00:00:00.380780 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:16:48,003 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387800 77560 158.26 8033.6 17345 -9311.8 -9311.8 19.808 19.781 9.1623 1.7669e+05 2024-05-09 21:17:26,069 INFO [main.py:798]
{rank 0/64} MD step = 387900 step time: 00:00:00.409774 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:17:35,062 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 387900 77580 157.94 8128 17310 -9182.4 -9182.4 19.814 19.786 9.1645 1.7678e+05 2024-05-09 21:18:12,865 INFO [main.py:798]
{rank 0/64} MD step = 388000 step time: 00:00:00.379764 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:18:19,542 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 388000 77600 160.47 8379.8 17587 -9207.6 -9207.6 19.82 19.789 9.1654 1.7681e+05 2024-05-09 21:18:58,194 INFO [main.py:798]
{rank 0/64} MD step = 388100 step time: 00:00:00.355812 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:19:08,185 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 388100 77620 160.42 8353.2 17583 -9229.5 -9229.5 19.825 19.796 9.1666 1.7683e+05 2024-05-09 21:19:47,246 INFO [main.py:798]
{rank 0/64} MD step = 388200 step time: 00:00:00.372997 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:19:55,490 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 388200 77640 158.67 8208.2 17390 -9182.1 -9182.1 19.832 19.8 9.1696 1.7692e+05 2024-05-09 21:20:33,387 INFO [main.py:798]
{rank 0/64} MD step = 388300 step time: 00:00:00.376714 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:20:40,015 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 388300 77660 161.38 8629.2 17688 -9058.6 -9058.6 19.837 19.806 9.1735 1.7696e+05 2024-05-09 21:21:19,879 INFO [main.py:798]
{rank 0/64} MD step = 388400 step time: 00:00:00.396762 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:21:28,536 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 388400 77680 161.81 8413.9 17735 -9321 -9321 19.842 19.812 9.1766 1.7696e+05 2024-05-09 21:22:05,480 INFO [main.py:798]
{rank 0/64} MD step = 388500 step time: 00:00:00.360318 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:22:11,491 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 388500 77700 161.02 8365.2 17648 -9283.1 -9283.1 19.847 19.819 9.1781 1.7703e+05 2024-05-09 21:22:51,246 INFO [main.py:798]
{rank 0/64} MD step = 388600 step time: 00:00:00.384424 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:22:58,327 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 388600 77720 160.47 8306.7 17588 -9281.1 -9281.1 19.853 19.825 9.1814 1.7707e+05 2024-05-09 21:23:37,220 INFO [main.py:798]
{rank 0/64} MD step = 388700 step time: 00:00:00.383965 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:23:44,742 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 388700 77740 161.24 8449.9 17673 -9222.6 -9222.6 19.857 19.83 9.1849 1.7713e+05 2024-05-09 21:24:26,102 INFO [main.py:798]
{rank 0/64} MD step = 388800 step time: 00:00:00.410450 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:24:34,360 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 388800 77760 158.52 8174.3 17374 -9199.3 -9199.3 19.862 19.833 9.1864 1.7718e+05 2024-05-09 21:25:13,148 INFO [main.py:798]
{rank 0/64} MD step = 388900 step time: 00:00:00.395609 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:25:22,041 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 388900 77780 160.6 8444.8 17602 -9157 -9157 19.869 19.838 9.1871 1.7723e+05 2024-05-09 21:26:02,273 INFO [main.py:798]
{rank 0/64} MD step = 389000 step time: 00:00:00.389951 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:26:09,221 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389000 77800 161.11 8278.8 17658 -9378.8 -9378.8 19.872 19.841 9.1893 1.7727e+05 2024-05-09 21:26:46,764 INFO [main.py:798]
{rank 0/64} MD step = 389100 step time: 00:00:00.419560 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:26:55,519 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389100 77820 161.92 8500.7 17747 -9245.8 -9245.8 19.877 19.846 9.1935 1.7735e+05 2024-05-09 21:27:33,238 INFO [main.py:798]
{rank 0/64} MD step = 389200 step time: 00:00:00.365068 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:27:40,865 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389200 77840 160.65 8434.5 17607 -9172.6 -9172.6 19.88 19.849 9.1957 1.7741e+05 2024-05-09 21:28:19,698 INFO [main.py:798]
{rank 0/64} MD step = 389300 step time: 00:00:00.384907 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:28:27,424 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389300 77860 159.42 8308.6 17472 -9163.5 -9163.5 19.887 19.855 9.1985 1.7744e+05 2024-05-09 21:29:07,463 INFO [main.py:798]
{rank 0/64} MD step = 389400 step time: 00:00:01.521912 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:29:15,768 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389400 77880 158.88 8080.2 17414 -9333.5 -9333.5 19.892 19.861 9.2017 1.7746e+05 2024-05-09 21:29:55,156 INFO [main.py:798]
{rank 0/64} MD step = 389500 step time: 00:00:00.399322 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:30:01,878 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389500 77900 161.43 8399.6 17693 -9293.2 -9293.2 19.898 19.866 9.2041 1.7752e+05 2024-05-09 21:30:40,721 INFO [main.py:798]
{rank 0/64} MD step = 389600 step time: 00:00:00.429543 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:30:47,904 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389600 77920 160.56 8305.6 17598 -9291.9 -9291.9 19.903 19.871 9.2067 1.7758e+05 2024-05-09 21:31:27,080 INFO [main.py:798]
{rank 0/64} MD step = 389700 step time: 00:00:00.396260 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:31:33,258 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389700 77940 159.74 8405 17507 -9102.2 -9102.2 19.908 19.875 9.2092 1.7761e+05 2024-05-09 21:32:10,677 INFO [main.py:798]
{rank 0/64} MD step = 389800 step time: 00:00:00.383349 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:32:17,897 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389800 77960 158.05 8124.6 17322 -9197.8 -9197.8 19.912 19.88 9.2109 1.7766e+05 2024-05-09 21:32:55,496 INFO [main.py:798]
{rank 0/64} MD step = 389900 step time: 00:00:00.388976 Performance: 36.491 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:33:02,903 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 389900 77980 161.44 8500.2 17694 -9193.8 -9193.8 19.918 19.886 9.2136 1.7771e+05 2024-05-09 21:33:40,648 INFO [main.py:798]
{rank 0/64} MD step = 390000 step time: 00:00:00.355133 Performance: 36.491 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:33:54,141 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390000 78000 159.61 8350 17493 -9143.2 -9143.2 19.925 19.892 9.2136 1.7779e+05 2024-05-09 21:34:33,376 INFO [main.py:798]
{rank 0/64} MD step = 390100 step time: 00:00:00.408681 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:34:44,763 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390100 78020 162.81 8620.4 17844 -9223.6 -9223.6 19.931 19.896 9.2162 1.778e+05 2024-05-09 21:35:22,850 INFO [main.py:798]
{rank 0/64} MD step = 390200 step time: 00:00:00.384433 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:35:35,559 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390200 78040 159.8 8336.6 17514 -9177.8 -9177.8 19.936 19.902 9.2188 1.7789e+05 2024-05-09 21:36:14,853 INFO [main.py:798]
{rank 0/64} MD step = 390300 step time: 00:00:00.425378 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:36:21,495 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390300 78060 161.38 8421.3 17687 -9265.9 -9265.9 19.941 19.906 9.2186 1.7791e+05 2024-05-09 21:37:00,770 INFO [main.py:798]
{rank 0/64} MD step = 390400 step time: 00:00:00.414536 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:37:08,873 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390400 78080 159.93 8314.2 17528 -9214 -9214 19.948 19.912 9.2202 1.7796e+05 2024-05-09 21:37:47,753 INFO [main.py:798]
{rank 0/64} MD step = 390500 step time: 00:00:00.407470 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:37:55,367 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390500 78100 159.6 8391.3 17492 -9100.6 -9100.6 19.952 19.917 9.2233 1.7798e+05 2024-05-09 21:38:33,237 INFO [main.py:798]
{rank 0/64} MD step = 390600 step time: 00:00:00.391998 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:38:41,397 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390600 78120 160.61 8282.5 17603 -9320.3 -9320.3 19.958 19.923 9.228 1.7803e+05 2024-05-09 21:39:19,960 INFO [main.py:798]
{rank 0/64} MD step = 390700 step time: 00:00:00.409969 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:39:28,308 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390700 78140 160.31 8364.1 17570 -9205.6 -9205.6 19.962 19.93 9.2299 1.7812e+05 2024-05-09 21:40:07,711 INFO [main.py:798]
{rank 0/64} MD step = 390800 step time: 00:00:00.427663 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:40:14,121 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390800 78160 161.53 8409.1 17704 -9294.8 -9294.8 19.966 19.935 9.232 1.7813e+05 2024-05-09 21:40:52,529 INFO [main.py:798]
{rank 0/64} MD step = 390900 step time: 00:00:00.412655 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:40:59,048 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 390900 78180 160.46 8358.8 17586 -9227.4 -9227.4 19.969 19.938 9.2338 1.7819e+05 2024-05-09 21:41:37,526 INFO [main.py:798]
{rank 0/64} MD step = 391000 step time: 00:00:00.396616 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:41:45,218 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 391000 78200 160.82 8449.7 17626 -9176.5 -9176.5 19.974 19.94 9.2371 1.7823e+05 2024-05-09 21:42:23,979 INFO [main.py:798]
{rank 0/64} MD step = 391100 step time: 00:00:00.406214 Performance: 36.491 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:42:31,739 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 391100 78220 160.61 8513.4 17603 -9089.5 -9089.5 19.979 19.944 9.2408 1.7833e+05 2024-05-09 21:43:09,733 INFO [main.py:798]
{rank 0/64} MD step = 391200 step time: 00:00:00.402206 Performance: 36.491 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:43:16,924 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 391200 78240 159.5 8304.6 17482 -9177.2 -9177.2 19.985 19.95 9.2432 1.7835e+05 2024-05-09 21:43:55,286 INFO [main.py:798]
{rank 0/64} MD step = 391300 step time: 00:00:00.391561 Performance: 36.491 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:44:02,478 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 391300 78260 160.22 8294 17560 -9266.3 -9266.3 19.99 19.955 9.246 1.7836e+05 2024-05-09 21:44:48,864 INFO [main.py:798]
{rank 0/64} MD step = 391400 step time: 00:00:00.403720 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:44:56,491 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 391400 78280 161.8 8499.7 17733 -9233.3 -9233.3 19.993 19.96 9.248 1.7843e+05 2024-05-09 21:45:35,599 INFO [main.py:798]
{rank 0/64} MD step = 391500 step time: 00:00:00.381281 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:45:44,086 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 391500 78300 160.62 8442.1 17604 -9161.8 -9161.8 19.998 19.963 9.2499 1.7847e+05 2024-05-09 21:46:22,735 INFO [main.py:798]
{rank 0/64} MD step = 391600 step time: 00:00:00.365160 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:46:36,673 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 391600 78320 163.03 8674.6 17869 -9194 -9194 20.002 19.969 9.252 1.7848e+05 2024-05-09 21:47:15,331 INFO [main.py:798]
{rank 0/64} MD step = 391700 step time: 00:00:00.388451 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:47:27,256 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 391700 78340 158.96 8296 17422 -9126.5 -9126.5 20.008 19.974 9.256 1.7853e+05 2024-05-09 21:48:05,833 INFO [main.py:798]
{rank 0/64} MD step = 391800 step time: 00:00:00.381195 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:48:11,947 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 391800 78360 159.76 8316.7 17510 -9193.6 -9193.6 20.015 19.979 9.2569 1.7857e+05 2024-05-09 21:48:53,204 INFO [main.py:798]
{rank 0/64} MD step = 391900 step time: 00:00:00.384793 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:49:01,193 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 391900 78380 160.52 8418.4 17593 -9174.3 -9174.3 20.018 19.983 9.2577 1.7862e+05 2024-05-09 21:49:38,245 INFO [main.py:798]
{rank 0/64} MD step = 392000 step time: 00:00:00.408552 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:49:44,901 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 392000 78400 160.83 8354.3 17627 -9273 -9273 20.024 19.986 9.2604 1.7865e+05 2024-05-09 21:50:25,233 INFO [main.py:798]
{rank 0/64} MD step = 392100 step time: 00:00:00.411502 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:50:32,985 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 392100 78420 160.13 8404.5 17551 -9146.2 -9146.2 20.028 19.992 9.2612 1.7872e+05 2024-05-09 21:51:10,569 INFO [main.py:798]
{rank 0/64} MD step = 392200 step time: 00:00:00.384205 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:51:18,691 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 392200 78440 159.95 8524 17531 -9006.6 -9006.6 20.034 19.995 9.264 1.7879e+05 2024-05-09 21:51:56,978 INFO [main.py:798]
{rank 0/64} MD step = 392300 step time: 00:00:00.373171 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:52:04,407 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 392300 78460 157.76 8181.7 17291 -9109.4 -9109.4 20.039 20.001 9.2686 1.7886e+05 2024-05-09 21:52:43,296 INFO [main.py:798]
{rank 0/64} MD step = 392400 step time: 00:00:00.382814 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:52:51,260 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 392400 78480 158.91 8222.8 17416 -9193.6 -9193.6 20.042 20.007 9.2707 1.7888e+05 2024-05-09 21:53:29,851 INFO [main.py:798]
{rank 0/64} MD step = 392500 step time: 00:00:00.393800 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:53:37,424 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 392500 78500 159.14 8309.8 17442 -9131.8 -9131.8 20.048 20.012 9.2743 1.7895e+05 2024-05-09 21:54:16,230 INFO [main.py:798]
{rank 0/64} MD step = 392600 step time: 00:00:00.374512 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:54:23,714 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 392600 78520 159.59 8206.4 17491 -9284.9 -9284.9 20.053 20.018 9.276 1.7898e+05 2024-05-09 21:55:01,255 INFO [main.py:798]
{rank 0/64} MD step = 392700 step time: 00:00:00.405958 Performance: 36.491 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:55:11,285 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 392700 78540 163 8573.9 17865 -9290.8 -9290.8 20.058 20.022 9.2801 1.7899e+05 2024-05-09 21:55:49,545 INFO [main.py:798]
{rank 0/64} MD step = 392800 step time: 00:00:00.394894 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:55:56,886 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 392800 78560 159.68 8352.4 17501 -9148.4 -9148.4 20.062 20.028 9.2815 1.7909e+05 2024-05-09 21:56:35,794 INFO [main.py:798]
{rank 0/64} MD step = 392900 step time: 00:00:00.432773 Performance: 36.491 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:56:42,624 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 392900 78580 160.09 8245.8 17547 -9300.7 -9300.7 20.067 20.032 9.2825 1.7911e+05 2024-05-09 21:57:22,125 INFO [main.py:798]
{rank 0/64} MD step = 393000 step time: 00:00:00.390241 Performance: 36.491 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:57:30,930 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393000 78600 158.76 8289.1 17401 -9111.4 -9111.4 20.072 20.037 9.2862 1.7916e+05 2024-05-09 21:58:09,241 INFO [main.py:798]
{rank 0/64} MD step = 393100 step time: 00:00:00.404955 Performance: 36.491 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:58:17,229 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393100 78620 163.19 8735.7 17886 -9149.9 -9149.9 20.077 20.042 9.2883 1.7919e+05 2024-05-09 21:58:55,514 INFO [main.py:798]
{rank 0/64} MD step = 393200 step time: 00:00:00.398587 Performance: 36.491 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:59:03,657 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393200 78640 160.16 8380 17554 -9174.2 -9174.2 20.082 20.045 9.2901 1.7925e+05 2024-05-09 21:59:42,685 INFO [main.py:798]
{rank 0/64} MD step = 393300 step time: 00:00:00.419282 Performance: 36.491 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 21:59:48,688 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393300 78660 159.43 8289.7 17473 -9183.8 -9183.8 20.087 20.051 9.2936 1.7929e+05 2024-05-09 22:00:27,538 INFO [main.py:798]
{rank 0/64} MD step = 393400 step time: 00:00:00.373387 Performance: 36.492 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:00:34,924 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393400 78680 159.3 8212.7 17460 -9246.8 -9246.8 20.092 20.055 9.297 1.7933e+05 2024-05-09 22:01:14,424 INFO [main.py:798]
{rank 0/64} MD step = 393500 step time: 00:00:00.409808 Performance: 36.492 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:01:20,417 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393500 78700 160.77 8355.7 17620 -9264.6 -9264.6 20.096 20.059 9.2981 1.7936e+05 2024-05-09 22:01:59,781 INFO [main.py:798]
{rank 0/64} MD step = 393600 step time: 00:00:00.389690 Performance: 36.492 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:02:08,226 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393600 78720 159.33 8236.2 17463 -9226.3 -9226.3 20.1 20.062 9.2991 1.7942e+05 2024-05-09 22:02:44,612 INFO [main.py:798]
{rank 0/64} MD step = 393700 step time: 00:00:00.384440 Performance: 36.493 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:02:51,978 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393700 78740 156.63 7884.8 17167 -9281.9 -9281.9 20.104 20.067 9.3017 1.7949e+05 2024-05-09 22:03:31,443 INFO [main.py:798]
{rank 0/64} MD step = 393800 step time: 00:00:00.375996 Performance: 36.493 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:03:38,274 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393800 78760 159.38 8243 17468 -9225.1 -9225.1 20.11 20.073 9.3032 1.7953e+05 2024-05-09 22:04:16,833 INFO [main.py:798]
{rank 0/64} MD step = 393900 step time: 00:00:00.363917 Performance: 36.493 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:04:24,856 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 393900 78780 158.93 8129.2 17419 -9289.9 -9289.9 20.115 20.079 9.3039 1.7958e+05 2024-05-09 22:05:03,895 INFO [main.py:798]
{rank 0/64} MD step = 394000 step time: 00:00:00.377810 Performance: 36.493 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:05:11,275 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394000 78800 161.54 8396.1 17705 -9308.9 -9308.9 20.121 20.081 9.3056 1.7964e+05 2024-05-09 22:05:50,413 INFO [main.py:798]
{rank 0/64} MD step = 394100 step time: 00:00:00.386995 Performance: 36.493 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:05:58,708 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394100 78820 160.24 8437.4 17563 -9125.2 -9125.2 20.125 20.087 9.3078 1.797e+05 2024-05-09 22:06:38,253 INFO [main.py:798]
{rank 0/64} MD step = 394200 step time: 00:00:00.377829 Performance: 36.493 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:06:49,366 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394200 78840 158.59 8099.1 17382 -9282.6 -9282.6 20.129 20.09 9.3109 1.7971e+05 2024-05-09 22:07:27,674 INFO [main.py:798]
{rank 0/64} MD step = 394300 step time: 00:00:00.373183 Performance: 36.493 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:07:35,795 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394300 78860 159.56 8415.4 17488 -9072.8 -9072.8 20.134 20.098 9.3142 1.7977e+05 2024-05-09 22:08:13,727 INFO [main.py:798]
{rank 0/64} MD step = 394400 step time: 00:00:00.393694 Performance: 36.493 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:08:21,842 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394400 78880 160.1 8421.6 17548 -9126.1 -9126.1 20.138 20.102 9.3142 1.7982e+05 2024-05-09 22:09:00,448 INFO [main.py:798]
{rank 0/64} MD step = 394500 step time: 00:00:00.442516 Performance: 36.493 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:09:11,289 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394500 78900 157.88 8201.1 17304 -9102.8 -9102.8 20.144 20.104 9.3163 1.7986e+05 2024-05-09 22:09:49,936 INFO [main.py:798]
{rank 0/64} MD step = 394600 step time: 00:00:00.386799 Performance: 36.493 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:09:56,657 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394600 78920 159.39 8145.5 17470 -9324.1 -9324.1 20.15 20.11 9.3202 1.7989e+05 2024-05-09 22:10:36,363 INFO [main.py:798]
{rank 0/64} MD step = 394700 step time: 00:00:00.417722 Performance: 36.493 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:10:43,844 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394700 78940 157.38 8084.4 17249 -9164.6 -9164.6 20.156 20.116 9.3228 1.7998e+05 2024-05-09 22:11:21,484 INFO [main.py:798]
{rank 0/64} MD step = 394800 step time: 00:00:00.364258 Performance: 36.493 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:11:34,921 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394800 78960 161.71 8518.3 17724 -9205.5 -9205.5 20.164 20.122 9.3265 1.8002e+05 2024-05-09 22:12:13,280 INFO [main.py:798]
{rank 0/64} MD step = 394900 step time: 00:00:00.403599 Performance: 36.493 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:12:20,451 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 394900 78980 160.81 8500 17625 -9124.8 -9124.8 20.167 20.127 9.3286 1.8011e+05 2024-05-09 22:12:57,800 INFO [main.py:798]
{rank 0/64} MD step = 395000 step time: 00:00:00.397656 Performance: 36.493 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:13:07,352 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 395000 79000 161.81 8540.9 17734 -9193.2 -9193.2 20.175 20.132 9.3294 1.8014e+05 2024-05-09 22:13:47,368 INFO [main.py:798]
{rank 0/64} MD step = 395100 step time: 00:00:00.428086 Performance: 36.493 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:13:53,875 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 395100 79020 160.12 8426.6 17549 -9122.8 -9122.8 20.18 20.137 9.3342 1.8019e+05 2024-05-09 22:14:35,397 INFO [main.py:798]
{rank 0/64} MD step = 395200 step time: 00:00:00.392122 Performance: 36.493 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:14:43,807 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 395200 79040 162.26 8575 17784 -9209 -9209 20.184 20.143 9.3365 1.8025e+05 2024-05-09 22:15:22,110 INFO [main.py:798]
{rank 0/64} MD step = 395300 step time: 00:00:00.394333 Performance: 36.493 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:15:32,006 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 395300 79060 158.46 8117.8 17368 -9250.1 -9250.1 20.188 20.148 9.3383 1.8027e+05 2024-05-09 22:16:10,928 INFO [main.py:798]
{rank 0/64} MD step = 395400 step time: 00:00:00.376129 Performance: 36.492 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:16:18,410 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 395400 79080 158.75 8274.3 17399 -9124.5 -9124.5 20.193 20.153 9.3416 1.8035e+05 2024-05-09 22:16:56,567 INFO [main.py:798]
{rank 0/64} MD step = 395500 step time: 00:00:00.413426 Performance: 36.493 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:17:02,975 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 395500 79100 158.47 8129.6 17369 -9239.3 -9239.3 20.198 20.158 9.3435 1.8038e+05 2024-05-09 22:17:41,514 INFO [main.py:798]
{rank 0/64} MD step = 395600 step time: 00:00:00.375625 Performance: 36.493 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:17:50,591 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 395600 79120 159.76 8307.8 17510 -9201.9 -9201.9 20.203 20.164 9.3442 1.8041e+05 2024-05-09 22:18:28,529 INFO [main.py:798]
{rank 0/64} MD step = 395700 step time: 00:00:00.387339 Performance: 36.493 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:18:36,149 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 395700 79140 161.28 8640.2 17677 -9036.7 -9036.7 20.21 20.168 9.3459 1.8049e+05 2024-05-09 22:19:14,545 INFO [main.py:798]
{rank 0/64} MD step = 395800 step time: 00:00:00.409119 Performance: 36.494 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:19:21,275 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 395800 79160 160.27 8387.3 17566 -9178.3 -9178.3 20.216 20.174 9.3491 1.805e+05 2024-05-09 22:19:59,866 INFO [main.py:798]
{rank 0/64} MD step = 395900 step time: 00:00:00.398759 Performance: 36.494 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:20:07,754 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 395900 79180 159.92 8433.7 17527 -9093.7 -9093.7 20.221 20.181 9.3523 1.8057e+05 2024-05-09 22:20:47,312 INFO [main.py:798]
{rank 0/64} MD step = 396000 step time: 00:00:00.405646 Performance: 36.494 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:20:55,304 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396000 79200 160.07 8381.5 17544 -9162.3 -9162.3 20.225 20.188 9.3537 1.8064e+05 2024-05-09 22:21:34,578 INFO [main.py:798]
{rank 0/64} MD step = 396100 step time: 00:00:00.387264 Performance: 36.494 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:21:40,440 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396100 79220 159.49 8150.5 17480 -9329.9 -9329.9 20.23 20.193 9.3567 1.8067e+05 2024-05-09 22:22:19,095 INFO [main.py:798]
{rank 0/64} MD step = 396200 step time: 00:00:00.404642 Performance: 36.494 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:22:26,535 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396200 79240 159.51 8352 17483 -9130.9 -9130.9 20.237 20.198 9.3576 1.807e+05 2024-05-09 22:23:05,429 INFO [main.py:798]
{rank 0/64} MD step = 396300 step time: 00:00:00.416956 Performance: 36.495 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:23:12,457 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396300 79260 162.11 8462.4 17768 -9305.6 -9305.6 20.239 20.205 9.3594 1.8073e+05 2024-05-09 22:23:49,250 INFO [main.py:798]
{rank 0/64} MD step = 396400 step time: 00:00:00.379779 Performance: 36.495 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:23:59,584 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396400 79280 159.88 8327.1 17523 -9195.6 -9195.6 20.244 20.21 9.3617 1.8077e+05 2024-05-09 22:24:39,419 INFO [main.py:798]
{rank 0/64} MD step = 396500 step time: 00:00:00.414459 Performance: 36.495 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:24:46,390 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396500 79300 161.34 8506.2 17683 -9176.7 -9176.7 20.249 20.216 9.3646 1.8085e+05 2024-05-09 22:25:25,235 INFO [main.py:798]
{rank 0/64} MD step = 396600 step time: 00:00:00.392089 Performance: 36.495 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:25:33,100 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396600 79320 158 8211.5 17317 -9105.9 -9105.9 20.256 20.222 9.3656 1.8088e+05 2024-05-09 22:26:11,903 INFO [main.py:798]
{rank 0/64} MD step = 396700 step time: 00:00:00.395989 Performance: 36.495 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:26:21,889 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396700 79340 161.16 8478.1 17663 -9185.4 -9185.4 20.262 20.228 9.3699 1.8092e+05 2024-05-09 22:27:00,677 INFO [main.py:798]
{rank 0/64} MD step = 396800 step time: 00:00:00.406764 Performance: 36.495 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:27:06,909 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396800 79360 161.39 8523.5 17689 -9165.4 -9165.4 20.268 20.231 9.37 1.8092e+05 2024-05-09 22:27:44,809 INFO [main.py:798]
{rank 0/64} MD step = 396900 step time: 00:00:00.383914 Performance: 36.496 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:27:52,071 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 396900 79380 161.18 8451.8 17665 -9213.7 -9213.7 20.271 20.238 9.372 1.8098e+05 2024-05-09 22:28:38,098 INFO [main.py:798]
{rank 0/64} MD step = 397000 step time: 00:00:00.414984 Performance: 36.494 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:28:48,783 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397000 79400 161.96 8552.8 17751 -9197.9 -9197.9 20.277 20.242 9.3739 1.81e+05 2024-05-09 22:29:25,949 INFO [main.py:798]
{rank 0/64} MD step = 397100 step time: 00:00:00.396132 Performance: 36.494 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:29:34,281 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397100 79420 160.27 8457.3 17565 -9107.9 -9107.9 20.282 20.247 9.3771 1.8109e+05 2024-05-09 22:30:12,716 INFO [main.py:798]
{rank 0/64} MD step = 397200 step time: 00:00:00.368552 Performance: 36.494 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:30:20,224 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397200 79440 155.95 7863.3 17092 -9228.7 -9228.7 20.289 20.252 9.3802 1.8111e+05 2024-05-09 22:30:59,427 INFO [main.py:798]
{rank 0/64} MD step = 397300 step time: 00:00:00.390283 Performance: 36.495 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:31:07,083 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397300 79460 157.86 8080.2 17301 -9221.1 -9221.1 20.295 20.256 9.3829 1.8115e+05 2024-05-09 22:31:45,398 INFO [main.py:798]
{rank 0/64} MD step = 397400 step time: 00:00:00.419129 Performance: 36.495 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:31:53,831 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397400 79480 159.94 8327.7 17530 -9202.4 -9202.4 20.3 20.261 9.3858 1.812e+05 2024-05-09 22:32:33,718 INFO [main.py:798]
{rank 0/64} MD step = 397500 step time: 00:00:00.403499 Performance: 36.495 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:32:42,217 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397500 79500 158.46 8157 17367 -9210 -9210 20.306 20.266 9.3886 1.8123e+05 2024-05-09 22:33:19,899 INFO [main.py:798]
{rank 0/64} MD step = 397600 step time: 00:00:00.411724 Performance: 36.495 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:33:31,692 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397600 79520 161.07 8344.9 17654 -9308.7 -9308.7 20.311 20.272 9.3901 1.8127e+05 2024-05-09 22:34:09,691 INFO [main.py:798]
{rank 0/64} MD step = 397700 step time: 00:00:00.368378 Performance: 36.494 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:34:19,135 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397700 79540 160.15 8283.4 17552 -9268.8 -9268.8 20.314 20.276 9.3905 1.8131e+05 2024-05-09 22:34:56,496 INFO [main.py:798]
{rank 0/64} MD step = 397800 step time: 00:00:00.362288 Performance: 36.494 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:35:05,131 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397800 79560 157.43 8196.2 17254 -9057.8 -9057.8 20.321 20.28 9.3928 1.8137e+05 2024-05-09 22:35:44,367 INFO [main.py:798]
{rank 0/64} MD step = 397900 step time: 00:00:00.385629 Performance: 36.494 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:35:52,401 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 397900 79580 159.97 8364.7 17533 -9168.1 -9168.1 20.326 20.285 9.3952 1.8139e+05 2024-05-09 22:36:30,619 INFO [main.py:798]
{rank 0/64} MD step = 398000 step time: 00:00:00.360003 Performance: 36.495 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:36:37,714 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398000 79600 162.03 8549 17759 -9210.2 -9210.2 20.331 20.29 9.3986 1.8144e+05 2024-05-09 22:37:18,047 INFO [main.py:798]
{rank 0/64} MD step = 398100 step time: 00:00:00.357966 Performance: 36.495 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:37:27,974 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398100 79620 159.89 8352.2 17524 -9171.4 -9171.4 20.335 20.294 9.4014 1.815e+05 2024-05-09 22:38:05,975 INFO [main.py:798]
{rank 0/64} MD step = 398200 step time: 00:00:00.388042 Performance: 36.494 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:38:15,306 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398200 79640 162.87 8673.8 17851 -9177.1 -9177.1 20.341 20.297 9.4032 1.8155e+05 2024-05-09 22:38:54,076 INFO [main.py:798]
{rank 0/64} MD step = 398300 step time: 00:00:00.390548 Performance: 36.494 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:39:01,621 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398300 79660 159.04 8322.3 17431 -9109 -9109 20.346 20.303 9.4046 1.8161e+05 2024-05-09 22:39:39,179 INFO [main.py:798]
{rank 0/64} MD step = 398400 step time: 00:00:00.399167 Performance: 36.495 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:39:47,284 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398400 79680 157.62 8143.4 17275 -9131.7 -9131.7 20.352 20.309 9.4101 1.8161e+05 2024-05-09 22:40:25,970 INFO [main.py:798]
{rank 0/64} MD step = 398500 step time: 00:00:00.363316 Performance: 36.495 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:40:32,542 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398500 79700 159.99 8325.6 17535 -9209.5 -9209.5 20.357 20.314 9.411 1.8166e+05 2024-05-09 22:41:13,090 INFO [main.py:798]
{rank 0/64} MD step = 398600 step time: 00:00:00.375321 Performance: 36.495 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:41:21,334 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398600 79720 158.55 8129.7 17378 -9247.8 -9247.8 20.363 20.319 9.4124 1.8167e+05 2024-05-09 22:42:00,114 INFO [main.py:798]
{rank 0/64} MD step = 398700 step time: 00:00:00.394285 Performance: 36.495 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:42:09,217 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398700 79740 159.47 8432.1 17478 -9046 -9046 20.368 20.324 9.4144 1.8177e+05 2024-05-09 22:42:47,364 INFO [main.py:798]
{rank 0/64} MD step = 398800 step time: 00:00:00.377861 Performance: 36.495 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:42:55,953 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398800 79760 160.31 8358.4 17570 -9211.5 -9211.5 20.371 20.327 9.416 1.8181e+05 2024-05-09 22:43:34,779 INFO [main.py:798]
{rank 0/64} MD step = 398900 step time: 00:00:00.405689 Performance: 36.495 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:43:44,274 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 398900 79780 159.32 8291.3 17462 -9170.5 -9170.5 20.376 20.332 9.417 1.8186e+05 2024-05-09 22:44:24,214 INFO [main.py:798]
{rank 0/64} MD step = 399000 step time: 00:00:00.396155 Performance: 36.495 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:44:32,210 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 399000 79800 158.69 8167.3 17393 -9225.5 -9225.5 20.382 20.339 9.4183 1.819e+05 2024-05-09 22:45:10,313 INFO [main.py:798]
{rank 0/64} MD step = 399100 step time: 00:00:00.383521 Performance: 36.495 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:45:22,303 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 399100 79820 159.56 8277.2 17489 -9211.3 -9211.3 20.389 20.343 9.4202 1.8198e+05 2024-05-09 22:45:59,353 INFO [main.py:798]
{rank 0/64} MD step = 399200 step time: 00:00:00.395274 Performance: 36.494 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:46:14,669 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 399200 79840 158.29 8119 17349 -9230.2 -9230.2 20.392 20.347 9.4231 1.8199e+05 2024-05-09 22:46:53,202 INFO [main.py:798]
{rank 0/64} MD step = 399300 step time: 00:00:00.395186 Performance: 36.493 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:47:05,313 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 399300 79860 159.7 8268.9 17504 -9234.9 -9234.9 20.396 20.353 9.4259 1.8203e+05 2024-05-09 22:47:44,118 INFO [main.py:798]
{rank 0/64} MD step = 399400 step time: 00:00:00.381707 Performance: 36.493 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:47:51,070 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 399400 79880 158.05 8171.6 17322 -9150.9 -9150.9 20.401 20.358 9.4299 1.8209e+05 2024-05-09 22:48:33,425 INFO [main.py:798]
{rank 0/64} MD step = 399500 step time: 00:00:00.405938 Performance: 36.492 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:48:41,064 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 399500 79900 159.35 8352.6 17465 -9112 -9112 20.405 20.363 9.4313 1.8215e+05 2024-05-09 22:49:19,038 INFO [main.py:798]
{rank 0/64} MD step = 399600 step time: 00:00:00.377043 Performance: 36.493 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:49:29,832 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 399600 79920 160.03 8392.7 17540 -9146.9 -9146.9 20.411 20.368 9.4338 1.8222e+05 2024-05-09 22:50:09,207 INFO [main.py:798]
{rank 0/64} MD step = 399700 step time: 00:00:00.390215 Performance: 36.492 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:50:17,145 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 399700 79940 159.71 8394.5 17504 -9109.9 -9109.9 20.417 20.372 9.4353 1.8225e+05 2024-05-09 22:50:54,288 INFO [main.py:798]
{rank 0/64} MD step = 399800 step time: 00:00:00.393736 Performance: 36.492 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:51:02,257 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 399800 79960 163.37 8742.9 17906 -9162.9 -9162.9 20.422 20.379 9.4378 1.8228e+05 2024-05-09 22:51:42,738 INFO [main.py:798]
{rank 0/64} MD step = 399900 step time: 00:00:00.391031 Performance: 36.492 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:51:50,169 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 399900 79980 156.97 7999.6 17205 -9205 -9205 20.429 20.384 9.439 1.8234e+05 2024-05-09 22:52:29,645 INFO [main.py:798]
{rank 0/64} MD step = 400000 step time: 00:00:00.382325 Performance: 36.492 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:52:39,805 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400000 80000 160.33 8411.6 17572 -9160.4 -9160.4 20.434 20.388 9.4405 1.8239e+05 2024-05-09 22:53:19,250 INFO [main.py:798]
{rank 0/64} MD step = 400100 step time: 00:00:00.373116 Performance: 36.492 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:53:29,017 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400100 80020 160.51 8446.8 17592 -9145.5 -9145.5 20.44 20.395 9.4431 1.8242e+05 2024-05-09 22:54:08,796 INFO [main.py:798]
{rank 0/64} MD step = 400200 step time: 00:00:00.385739 Performance: 36.491 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:54:17,193 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400200 80040 161.11 8511.6 17658 -9146.6 -9146.6 20.442 20.4 9.4435 1.8249e+05 2024-05-09 22:54:56,970 INFO [main.py:798]
{rank 0/64} MD step = 400300 step time: 00:00:00.346011 Performance: 36.491 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:55:03,918 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400300 80060 159.94 8296 17530 -9234.1 -9234.1 20.447 20.407 9.4453 1.8254e+05 2024-05-09 22:55:43,043 INFO [main.py:798]
{rank 0/64} MD step = 400400 step time: 00:00:00.351115 Performance: 36.492 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:55:51,067 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400400 80080 158.77 8172.1 17402 -9229.4 -9229.4 20.454 20.411 9.4494 1.8261e+05 2024-05-09 22:56:28,567 INFO [main.py:798]
{rank 0/64} MD step = 400500 step time: 00:00:00.375745 Performance: 36.492 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:56:36,749 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400500 80100 160.19 8275.6 17557 -9281.4 -9281.4 20.457 20.415 9.4532 1.8264e+05 2024-05-09 22:57:15,146 INFO [main.py:798]
{rank 0/64} MD step = 400600 step time: 00:00:00.359357 Performance: 36.492 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:57:22,802 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400600 80120 159.93 8365.4 17528 -9162.7 -9162.7 20.463 20.421 9.4561 1.8268e+05 2024-05-09 22:58:02,610 INFO [main.py:798]
{rank 0/64} MD step = 400700 step time: 00:00:00.365748 Performance: 36.492 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:58:10,037 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400700 80140 162.09 8579.9 17766 -9185.9 -9185.9 20.469 20.425 9.4582 1.8274e+05 2024-05-09 22:58:49,194 INFO [main.py:798]
{rank 0/64} MD step = 400800 step time: 00:00:00.347246 Performance: 36.492 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:58:56,342 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400800 80160 160.42 8430.7 17582 -9151 -9151 20.472 20.428 9.4627 1.828e+05 2024-05-09 22:59:34,779 INFO [main.py:798]
{rank 0/64} MD step = 400900 step time: 00:00:00.348573 Performance: 36.492 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 22:59:42,001 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 400900 80180 158.59 8144.1 17382 -9237.9 -9237.9 20.479 20.433 9.4656 1.8281e+05 2024-05-09 23:00:21,998 INFO [main.py:798]
{rank 0/64} MD step = 401000 step time: 00:00:00.356505 Performance: 36.493 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 23:00:30,182 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 401000 80200 162 8615.3 17755 -9139.8 -9139.8 20.484 20.437 9.4684 1.8289e+05 2024-05-09 23:01:09,346 INFO [main.py:798]
{rank 0/64} MD step = 401100 step time: 00:00:00.341019 Performance: 36.493 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 23:01:16,822 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 401100 80220 160.35 8428.3 17575 -9146.2 -9146.2 20.489 20.442 9.4716 1.8291e+05 2024-05-09 23:01:55,901 INFO [main.py:798]
{rank 0/64} MD step = 401200 step time: 00:00:00.356128 Performance: 36.493 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 23:02:02,292 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 401200 80240 158.72 8159.9 17396 -9236.1 -9236.1 20.496 20.447 9.473 1.8295e+05 2024-05-09 23:02:41,991 INFO [main.py:798]
{rank 0/64} MD step = 401300 step time: 00:00:00.376729 Performance: 36.493 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 23:02:49,336 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 401300 80260 159.13 8248.9 17441 -9192.1 -9192.1 20.501 20.452 9.475 1.8298e+05 2024-05-09 23:03:32,042 INFO [main.py:798]
{rank 0/64} MD step = 401400 step time: 00:00:00.376912 Performance: 36.492 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 23:03:38,653 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 401400 80280 158.53 8306.1 17376 -9069.6 -9069.6 20.507 20.457 9.4782 1.8303e+05 2024-05-09 23:04:17,720 INFO [main.py:798]
{rank 0/64} MD step = 401500 step time: 00:00:00.367315 Performance: 36.493 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 23:04:27,886 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 401500 80300 160.28 8449.2 17567 -9118.3 -9118.3 20.512 20.461 9.4801 1.8306e+05 2024-05-09 23:05:07,918 INFO [main.py:798]
{rank 0/64} MD step = 401600 step time: 00:00:00.357042 Performance: 36.492 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 23:05:17,326 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 401600 80320 161.74 8488.8 17727 -9237.8 -9237.8 20.518 20.466 9.482 1.8308e+05 2024-05-09 23:05:58,237 INFO [main.py:798]
{rank 0/64} MD step = 401700 step time: 00:00:00.390629 Performance: 36.492 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 23:06:08,216 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 401700 80340 160.77 8548 17621 -9072.5 -9072.5 20.523 20.47 9.4847 1.8319e+05 2024-05-09 23:06:44,642 INFO [main.py:798]
{rank 0/64} MD step = 401800 step time: 00:00:00.341952 Performance: 36.492 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 23:06:52,804 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 401800 80360 161.71 8596.6 17724 -9127 -9127 20.526 20.474 9.4871 1.8323e+05 2024-05-09 23:07:31,989 INFO [main.py:798]
{rank 0/64} MD step = 401900 step time: 00:00:00.356588 Performance: 36.492 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 23:07:39,854 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 401900 80380 162.89 8551.2 17853 -9301.7 -9301.7 20.532 20.479 9.4875 1.8321e+05 2024-05-09 23:08:18,032 INFO [main.py:798]
{rank 0/64} MD step = 402000 step time: 00:00:00.384894 Performance: 36.492 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 23:08:28,284 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 402000 80400 163.57 8763.8 17927 -9163.6 -9163.6 20.537 20.485 9.4894 1.8325e+05 2024-05-09 23:09:07,712 INFO [main.py:798]
{rank 0/64} MD step = 402100 step time: 00:00:00.385262 Performance: 36.492 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 23:09:18,776 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 402100 80420 158.66 8187.7 17389 -9201.4 -9201.4 20.544 20.49 9.49 1.8328e+05 2024-05-09 23:09:56,446 INFO [main.py:798]
{rank 0/64} MD step = 402200 step time: 00:00:00.414822 Performance: 36.491 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 23:10:08,750 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 402200 80440 160.33 8374.1 17572 -9197.8 -9197.8 20.548 20.496 9.4918 1.8333e+05 2024-05-09 23:10:49,007 INFO [main.py:798]
{rank 0/64} MD step = 402300 step time: 00:00:00.396025 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 23:10:56,380 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 402300 80460 159.04 8283 17431 -9148.5 -9148.5 20.553 20.502 9.4945 1.8337e+05 2024-05-09 23:11:35,322 INFO [main.py:798]
{rank 0/64} MD step = 402400 step time: 00:00:00.381392 Performance: 36.491 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 23:11:43,718 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 402400 80480 160.14 8356.9 17551 -9194.4 -9194.4 20.558 20.508 9.4956 1.8342e+05 2024-05-09 23:12:22,894 INFO [main.py:798]
{rank 0/64} MD step = 402500 step time: 00:00:00.415917 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 23:12:32,311 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 402500 80500 160.12 8279.3 17550 -9270.3 -9270.3 20.564 20.513 9.498 1.8346e+05 2024-05-09 23:13:12,358 INFO [main.py:798]
{rank 0/64} MD step = 402600 step time: 00:00:00.366632 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 23:13:20,654 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 402600 80520 160 8396.9 17536 -9139.2 -9139.2 20.569 20.52 9.5007 1.8353e+05 2024-05-09 23:13:59,573 INFO [main.py:798]
{rank 0/64} MD step = 402700 step time: 00:00:00.377853 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 23:14:08,070 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 402700 80540 160.67 8446.5 17610 -9163.4 -9163.4 20.575 20.524 9.5017 1.8357e+05 2024-05-09 23:14:46,919 INFO [main.py:798]
{rank 0/64} MD step = 402800 step time: 00:00:00.370510 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 23:14:54,753 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 402800 80560 157.98 8129.8 17315 -9185.4 -9185.4 20.579 20.53 9.5054 1.8357e+05 2024-05-09 23:15:32,973 INFO [main.py:798]
{rank 0/64} MD step = 402900 step time: 00:00:00.390690 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 23:15:38,771 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 402900 80580 159.12 8366.8 17440 -9073.4 -9073.4 20.583 20.534 9.5063 1.8365e+05 2024-05-09 23:16:17,707 INFO [main.py:798]
{rank 0/64} MD step = 403000 step time: 00:00:00.422224 Performance: 36.491 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 23:16:24,503 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 403000 80600 158.19 8135.1 17338 -9203.1 -9203.1 20.588 20.538 9.5076 1.8369e+05 2024-05-09 23:17:02,162 INFO [main.py:798]
{rank 0/64} MD step = 403100 step time: 00:00:00.398252 Performance: 36.491 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 23:17:09,468 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 403100 80620 159.06 8201.2 17433 -9232.2 -9232.2 20.592 20.543 9.5106 1.8372e+05 2024-05-09 23:17:48,282 INFO [main.py:798]
{rank 0/64} MD step = 403200 step time: 00:00:00.390438 Performance: 36.492 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 23:17:56,808 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 403200 80640 157.16 7987.5 17224 -9236.9 -9236.9 20.597 20.55 9.513 1.8375e+05 2024-05-09 23:18:35,765 INFO [main.py:798]
{rank 0/64} MD step = 403300 step time: 00:00:00.410451 Performance: 36.492 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 23:18:41,716 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 403300 80660 160.64 8338.8 17606 -9267.2 -9267.2 20.603 20.556 9.5175 1.838e+05 2024-05-09 23:19:22,572 INFO [main.py:798]
{rank 0/64} MD step = 403400 step time: 00:00:00.393042 Performance: 36.492 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 23:19:37,398 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 403400 80680 162.8 8735.1 17843 -9107.6 -9107.6 20.61 20.562 9.5186 1.8387e+05 2024-05-09 23:20:16,978 INFO [main.py:798]
{rank 0/64} MD step = 403500 step time: 00:00:00.406527 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 23:20:23,912 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 403500 80700 159.87 8365.8 17522 -9156.6 -9156.6 20.613 20.567 9.5233 1.8391e+05 2024-05-09 23:21:01,970 INFO [main.py:798]
{rank 0/64} MD step = 403600 step time: 00:00:00.383715 Performance: 36.491 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 23:21:09,908 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 403600 80720 159.37 8248.6 17467 -9218.3 -9218.3 20.618 20.572 9.5239 1.8396e+05 2024-05-09 23:21:48,755 INFO [main.py:798]
{rank 0/64} MD step = 403700 step time: 00:00:00.392135 Performance: 36.491 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 23:21:59,265 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 403700 80740 162.36 8606.3 17794 -9188.2 -9188.2 20.623 20.577 9.5249 1.8399e+05 2024-05-09 23:22:37,883 INFO [main.py:798]
{rank 0/64} MD step = 403800 step time: 00:00:00.353484 Performance: 36.491 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-09 23:23:11,072 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 403800 80760 159.39 8233.3 17469 -9235.6 -9235.6 20.628 20.583 9.527 1.8405e+05 2024-05-09 23:23:53,043 INFO [main.py:798]
{rank 0/64} MD step = 403900 step time: 00:00:00.399661 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:24:04,053 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 403900 80780 158.96 8211.2 17423 -9211.4 -9211.4 20.63 20.589 9.5288 1.8409e+05 2024-05-09 23:24:43,771 INFO [main.py:798]
{rank 0/64} MD step = 404000 step time: 00:00:00.426889 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:24:51,765 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 404000 80800 161.11 8326.2 17658 -9331.5 -9331.5 20.635 20.593 9.5308 1.8413e+05 2024-05-09 23:25:30,303 INFO [main.py:798]
{rank 0/64} MD step = 404100 step time: 00:00:00.394596 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:25:37,190 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 404100 80820 158.44 8108.4 17365 -9256.6 -9256.6 20.642 20.598 9.5349 1.8415e+05 2024-05-09 23:26:15,272 INFO [main.py:798]
{rank 0/64} MD step = 404200 step time: 00:00:00.392632 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:26:22,356 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 404200 80840 160.04 8417.7 17541 -9123 -9123 20.645 20.603 9.5357 1.8423e+05 2024-05-09 23:27:00,458 INFO [main.py:798]
{rank 0/64} MD step = 404300 step time: 00:00:00.415966 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:27:10,683 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 404300 80860 159.32 8268.1 17462 -9194 -9194 20.651 20.608 9.5394 1.8423e+05 2024-05-09 23:27:51,364 INFO [main.py:798]
{rank 0/64} MD step = 404400 step time: 00:00:00.409514 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:27:59,256 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 404400 80880 160.73 8448 17616 -9168.3 -9168.3 20.657 20.613 9.541 1.8431e+05 2024-05-09 23:28:37,316 INFO [main.py:798]
{rank 0/64} MD step = 404500 step time: 00:00:00.406635 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:28:44,538 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 404500 80900 160.44 8461.2 17584 -9122.8 -9122.8 20.662 20.617 9.5426 1.8433e+05 2024-05-09 23:29:22,169 INFO [main.py:798]
{rank 0/64} MD step = 404600 step time: 00:00:00.362983 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:29:30,713 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 404600 80920 159.13 8218.3 17441 -9222.2 -9222.2 20.665 20.624 9.5439 1.8438e+05 2024-05-09 23:30:07,809 INFO [main.py:798]
{rank 0/64} MD step = 404700 step time: 00:00:00.396779 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:30:20,455 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 404700 80940 161.13 8412.6 17660 -9247.6 -9247.6 20.67 20.629 9.543 1.8443e+05 2024-05-09 23:31:01,815 INFO [main.py:798]
{rank 0/64} MD step = 404800 step time: 00:00:00.373171 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:31:09,376 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 404800 80960 160.21 8286.8 17560 -9272.9 -9272.9 20.676 20.632 9.5451 1.8449e+05 2024-05-09 23:31:48,871 INFO [main.py:798]
{rank 0/64} MD step = 404900 step time: 00:00:00.390497 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:31:57,331 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 404900 80980 161.94 8488.4 17748 -9260 -9260 20.681 20.638 9.5472 1.8454e+05 2024-05-09 23:32:37,727 INFO [main.py:798]
{rank 0/64} MD step = 405000 step time: 00:00:00.405259 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:32:44,997 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 405000 81000 160.43 8504.9 17583 -9078.1 -9078.1 20.685 20.644 9.548 1.8458e+05 2024-05-09 23:33:23,947 INFO [main.py:798]
{rank 0/64} MD step = 405100 step time: 00:00:00.403615 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:33:31,219 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 405100 81020 159.14 8232 17441 -9209.4 -9209.4 20.692 20.648 9.5499 1.846e+05 2024-05-09 23:34:09,824 INFO [main.py:798]
{rank 0/64} MD step = 405200 step time: 00:00:00.361898 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:34:19,236 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 405200 81040 158.43 8198 17364 -9166.3 -9166.3 20.696 20.654 9.5522 1.8464e+05 2024-05-09 23:34:58,520 INFO [main.py:798]
{rank 0/64} MD step = 405300 step time: 00:00:00.388355 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:35:08,267 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 405300 81060 159.84 8388.3 17518 -9129.9 -9129.9 20.702 20.659 9.555 1.847e+05 2024-05-09 23:35:47,456 INFO [main.py:798]
{rank 0/64} MD step = 405400 step time: 00:00:00.383603 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:35:55,189 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 405400 81080 161.19 8588.5 17666 -9077.9 -9077.9 20.708 20.665 9.5596 1.848e+05 2024-05-09 23:36:33,448 INFO [main.py:798]
{rank 0/64} MD step = 405500 step time: 00:00:00.367390 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:36:42,639 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 405500 81100 158.12 8142.8 17330 -9187.7 -9187.7 20.713 20.669 9.5629 1.8485e+05 2024-05-09 23:37:21,703 INFO [main.py:798]
{rank 0/64} MD step = 405600 step time: 00:00:00.413960 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:37:31,719 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 405600 81120 158.14 8182.4 17332 -9150 -9150 20.718 20.675 9.5661 1.8491e+05 2024-05-09 23:38:10,557 INFO [main.py:798]
{rank 0/64} MD step = 405700 step time: 00:00:00.370656 Performance: 36.484 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:38:17,718 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 405700 81140 159.75 8278.3 17509 -9230.6 -9230.6 20.723 20.68 9.5663 1.8493e+05 2024-05-09 23:38:56,896 INFO [main.py:798]
{rank 0/64} MD step = 405800 step time: 00:00:00.375036 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:39:03,407 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 405800 81160 159.6 8363.6 17492 -9128.6 -9128.6 20.726 20.685 9.5678 1.8497e+05 2024-05-09 23:39:42,120 INFO [main.py:798]
{rank 0/64} MD step = 405900 step time: 00:00:00.356931 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:39:49,871 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 405900 81180 160.85 8458.2 17629 -9170.7 -9170.7 20.731 20.689 9.571 1.8499e+05 2024-05-09 23:40:29,055 INFO [main.py:798]
{rank 0/64} MD step = 406000 step time: 00:00:00.379069 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:40:36,901 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 406000 81200 160.67 8327.6 17610 -9282.4 -9282.4 20.735 20.695 9.5743 1.8505e+05 2024-05-09 23:41:16,128 INFO [main.py:798]
{rank 0/64} MD step = 406100 step time: 00:00:00.377989 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:41:23,450 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 406100 81220 160.72 8506.9 17615 -9108.3 -9108.3 20.74 20.699 9.5772 1.8511e+05 2024-05-09 23:42:02,865 INFO [main.py:798]
{rank 0/64} MD step = 406200 step time: 00:00:00.386293 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:42:11,785 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 406200 81240 159.56 8151.4 17488 -9336.5 -9336.5 20.746 20.703 9.5794 1.8513e+05 2024-05-09 23:42:50,543 INFO [main.py:798]
{rank 0/64} MD step = 406300 step time: 00:00:00.374658 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:42:57,079 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 406300 81260 157.52 8043.8 17265 -9220.8 -9220.8 20.75 20.707 9.5808 1.8517e+05 2024-05-09 23:43:35,923 INFO [main.py:798]
{rank 0/64} MD step = 406400 step time: 00:00:00.361477 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:43:43,464 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 406400 81280 159.59 8324.3 17491 -9166.7 -9166.7 20.757 20.713 9.5832 1.8525e+05 2024-05-09 23:44:22,087 INFO [main.py:798]
{rank 0/64} MD step = 406500 step time: 00:00:00.388417 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:44:29,751 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 406500 81300 162.18 8583.8 17775 -9190.9 -9190.9 20.764 20.719 9.5855 1.8529e+05 2024-05-09 23:45:11,631 INFO [main.py:798]
{rank 0/64} MD step = 406600 step time: 00:00:00.426844 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:45:19,835 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 406600 81320 159.35 8267.3 17465 -9197.2 -9197.2 20.77 20.722 9.587 1.8535e+05 2024-05-09 23:46:07,116 INFO [main.py:798]
{rank 0/64} MD step = 406700 step time: 00:00:00.342242 Performance: 36.484 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:46:14,546 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 406700 81340 159.86 8371.2 17520 -9149.3 -9149.3 20.777 20.729 9.5903 1.8539e+05 2024-05-09 23:46:52,490 INFO [main.py:798]
{rank 0/64} MD step = 406800 step time: 00:00:00.352238 Performance: 36.484 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:47:00,129 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 406800 81360 160.88 8352.4 17633 -9280.2 -9280.2 20.781 20.735 9.5917 1.8544e+05 2024-05-09 23:47:39,927 INFO [main.py:798]
{rank 0/64} MD step = 406900 step time: 00:00:00.403272 Performance: 36.484 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:48:01,057 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 406900 81380 160.65 8380.5 17607 -9226.8 -9226.8 20.788 20.74 9.5935 1.8546e+05 2024-05-09 23:48:39,156 INFO [main.py:798]
{rank 0/64} MD step = 407000 step time: 00:00:00.406237 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:48:45,944 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 407000 81400 159.83 8365.1 17518 -9152.7 -9152.7 20.792 20.745 9.5955 1.8552e+05 2024-05-09 23:49:27,663 INFO [main.py:798]
{rank 0/64} MD step = 407100 step time: 00:00:00.384895 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:49:34,606 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 407100 81420 157.63 8146.2 17276 -9130.2 -9130.2 20.799 20.75 9.5991 1.8558e+05 2024-05-09 23:50:13,631 INFO [main.py:798]
{rank 0/64} MD step = 407200 step time: 00:00:00.417282 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:50:22,095 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 407200 81440 157.54 8149.8 17267 -9117.3 -9117.3 20.803 20.756 9.6006 1.8566e+05 2024-05-09 23:50:59,921 INFO [main.py:798]
{rank 0/64} MD step = 407300 step time: 00:00:00.378547 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:51:35,012 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 407300 81460 162.16 8504.2 17773 -9268.9 -9268.9 20.808 20.762 9.6023 1.8567e+05 2024-05-09 23:52:13,414 INFO [main.py:798]
{rank 0/64} MD step = 407400 step time: 00:00:00.398635 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:52:19,946 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 407400 81480 158.12 8084.8 17330 -9245.1 -9245.1 20.814 20.768 9.6041 1.8571e+05 2024-05-09 23:52:58,233 INFO [main.py:798]
{rank 0/64} MD step = 407500 step time: 00:00:00.401833 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:53:10,510 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 407500 81500 159.97 8270.5 17533 -9262.4 -9262.4 20.82 20.773 9.605 1.8574e+05 2024-05-09 23:53:49,808 INFO [main.py:798]
{rank 0/64} MD step = 407600 step time: 00:00:00.465845 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:53:56,263 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 407600 81520 160.42 8355.8 17582 -9226.1 -9226.1 20.825 20.778 9.6076 1.8577e+05 2024-05-09 23:54:37,332 INFO [main.py:798]
{rank 0/64} MD step = 407700 step time: 00:00:00.382043 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:54:45,165 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 407700 81540 158.29 8167.8 17349 -9180.8 -9180.8 20.83 20.782 9.6094 1.8583e+05 2024-05-09 23:55:24,536 INFO [main.py:798]
{rank 0/64} MD step = 407800 step time: 00:00:00.386494 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:55:32,935 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 407800 81560 156.29 7855.2 17130 -9274.4 -9274.4 20.837 20.786 9.6114 1.8585e+05 2024-05-09 23:56:10,963 INFO [main.py:798]
{rank 0/64} MD step = 407900 step time: 00:00:00.395630 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:56:17,123 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 407900 81580 161.43 8377.8 17693 -9315 -9315 20.841 20.791 9.6139 1.8589e+05 2024-05-09 23:56:57,504 INFO [main.py:798]
{rank 0/64} MD step = 408000 step time: 00:00:00.382499 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:57:04,875 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 408000 81600 162.23 8552.6 17780 -9227.8 -9227.8 20.846 20.797 9.6165 1.8597e+05 2024-05-09 23:57:46,603 INFO [main.py:798]
{rank 0/64} MD step = 408100 step time: 00:00:00.409688 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:57:52,686 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 408100 81620 158.22 8142.4 17341 -9198.9 -9198.9 20.85 20.801 9.6177 1.8599e+05 2024-05-09 23:58:33,176 INFO [main.py:798]
{rank 0/64} MD step = 408200 step time: 00:00:00.390163 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:58:40,858 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 408200 81640 161.13 8423.3 17660 -9236.9 -9236.9 20.854 20.806 9.6188 1.8607e+05 2024-05-09 23:59:20,079 INFO [main.py:798]
{rank 0/64} MD step = 408300 step time: 00:00:00.387540 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-09 23:59:27,694 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 408300 81660 162.73 8628.6 17835 -9206.6 -9206.6 20.861 20.812 9.6211 1.8609e+05 2024-05-10 00:00:06,104 INFO [main.py:798]
{rank 0/64} MD step = 408400 step time: 00:00:00.384996 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:00:13,352 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 408400 81680 161.2 8493.3 17668 -9174.6 -9174.6 20.866 20.817 9.623 1.8613e+05 2024-05-10 00:00:51,368 INFO [main.py:798]
{rank 0/64} MD step = 408500 step time: 00:00:00.397609 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:00:57,405 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 408500 81700 160.97 8486.9 17642 -9155.1 -9155.1 20.871 20.822 9.6244 1.8619e+05 2024-05-10 00:01:36,150 INFO [main.py:798]
{rank 0/64} MD step = 408600 step time: 00:00:00.396135 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:01:42,449 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 408600 81720 161.94 8727.5 17748 -9021 -9021 20.876 20.828 9.6271 1.8626e+05 2024-05-10 00:02:20,906 INFO [main.py:798]
{rank 0/64} MD step = 408700 step time: 00:00:00.367580 Performance: 36.479 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:02:24,775 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 408700 81740 160.9 8447.4 17634 -9187.1 -9187.1 20.881 20.834 9.6295 1.8632e+05 2024-05-10 00:03:04,367 INFO [main.py:798]
{rank 0/64} MD step = 408800 step time: 00:00:00.373602 Performance: 36.480 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:03:10,550 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 408800 81760 160.48 8511.8 17589 -9077.2 -9077.2 20.886 20.84 9.6309 1.8633e+05 2024-05-10 00:03:51,795 INFO [main.py:798]
{rank 0/64} MD step = 408900 step time: 00:00:00.410994 Performance: 36.480 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:03:59,341 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 408900 81780 159.58 8288.2 17490 -9202 -9202 20.891 20.845 9.6335 1.8639e+05 2024-05-10 00:04:38,536 INFO [main.py:798]
{rank 0/64} MD step = 409000 step time: 00:00:00.353067 Performance: 36.480 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:04:47,661 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 409000 81800 161.15 8529.5 17662 -9132.7 -9132.7 20.897 20.85 9.6357 1.8642e+05 2024-05-10 00:05:25,713 INFO [main.py:798]
{rank 0/64} MD step = 409100 step time: 00:00:00.383458 Performance: 36.480 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:05:34,392 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 409100 81820 157.84 7986.3 17300 -9313.6 -9313.6 20.9 20.855 9.6376 1.8644e+05 2024-05-10 00:06:13,162 INFO [main.py:798]
{rank 0/64} MD step = 409200 step time: 00:00:00.412943 Performance: 36.480 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:06:21,710 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 409200 81840 160.09 8315.4 17546 -9230.3 -9230.3 20.906 20.861 9.6412 1.8652e+05 2024-05-10 00:06:59,889 INFO [main.py:798]
{rank 0/64} MD step = 409300 step time: 00:00:00.420954 Performance: 36.480 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:07:07,256 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 409300 81860 161.51 8449.6 17701 -9251.8 -9251.8 20.912 20.865 9.6445 1.8657e+05 2024-05-10 00:07:45,874 INFO [main.py:798]
{rank 0/64} MD step = 409400 step time: 00:00:00.424348 Performance: 36.480 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:07:54,014 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 409400 81880 157.44 8051.8 17256 -9204 -9204 20.918 20.871 9.6474 1.8657e+05 2024-05-10 00:08:32,733 INFO [main.py:798]
{rank 0/64} MD step = 409500 step time: 00:00:00.379450 Performance: 36.480 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:08:40,537 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 409500 81900 160.08 8410.8 17545 -9134.1 -9134.1 20.924 20.875 9.6501 1.8667e+05 2024-05-10 00:09:18,988 INFO [main.py:798]
{rank 0/64} MD step = 409600 step time: 00:00:00.417519 Performance: 36.480 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:09:32,584 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 409600 81920 159.38 8276 17468 -9191.8 -9191.8 20.931 20.88 9.6525 1.867e+05 2024-05-10 00:10:10,313 INFO [main.py:798]
{rank 0/64} MD step = 409700 step time: 00:00:00.401404 Performance: 36.480 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:10:30,861 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 409700 81940 158.87 8138.8 17413 -9274 -9274 20.936 20.884 9.6535 1.8675e+05 2024-05-10 00:11:08,509 INFO [main.py:798]
{rank 0/64} MD step = 409800 step time: 00:00:00.339704 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:11:17,029 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 409800 81960 161.89 8564.1 17744 -9179.5 -9179.5 20.94 20.89 9.6568 1.8683e+05 2024-05-10 00:11:55,410 INFO [main.py:798]
{rank 0/64} MD step = 409900 step time: 00:00:00.332350 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:12:04,929 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 409900 81980 159.61 8386.7 17494 -9107.2 -9107.2 20.944 20.894 9.6602 1.8688e+05 2024-05-10 00:12:46,263 INFO [main.py:798]
{rank 0/64} MD step = 410000 step time: 00:00:00.371917 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:12:54,074 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410000 82000 161.49 8571.9 17699 -9127.4 -9127.4 20.95 20.9 9.6632 1.8691e+05 2024-05-10 00:13:37,585 INFO [main.py:798]
{rank 0/64} MD step = 410100 step time: 00:00:00.374017 Performance: 36.476 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:13:44,148 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410100 82020 160.76 8390.7 17620 -9228.9 -9228.9 20.955 20.907 9.6652 1.8696e+05 2024-05-10 00:14:22,351 INFO [main.py:798]
{rank 0/64} MD step = 410200 step time: 00:00:00.378328 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:14:29,537 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410200 82040 161.4 8556.9 17690 -9132.8 -9132.8 20.961 20.913 9.6663 1.8698e+05 2024-05-10 00:15:08,327 INFO [main.py:798]
{rank 0/64} MD step = 410300 step time: 00:00:00.408534 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:15:14,484 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410300 82060 158.66 8151 17389 -9238.2 -9238.2 20.966 20.916 9.668 1.8702e+05 2024-05-10 00:15:51,625 INFO [main.py:798]
{rank 0/64} MD step = 410400 step time: 00:00:00.361884 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:16:00,766 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410400 82080 159.75 8250.3 17509 -9258.6 -9258.6 20.973 20.923 9.6712 1.8706e+05 2024-05-10 00:16:40,958 INFO [main.py:798]
{rank 0/64} MD step = 410500 step time: 00:00:00.388604 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:16:52,736 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410500 82100 160.89 8510.3 17633 -9122.9 -9122.9 20.978 20.926 9.674 1.8709e+05 2024-05-10 00:17:32,519 INFO [main.py:798]
{rank 0/64} MD step = 410600 step time: 00:00:00.383260 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:17:39,281 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410600 82120 160.26 8311 17564 -9253.4 -9253.4 20.98 20.931 9.6762 1.8711e+05 2024-05-10 00:18:16,851 INFO [main.py:798]
{rank 0/64} MD step = 410700 step time: 00:00:00.408025 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:18:23,612 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410700 82140 159.9 8437.7 17525 -9087.1 -9087.1 20.987 20.936 9.6767 1.8717e+05 2024-05-10 00:19:01,786 INFO [main.py:798]
{rank 0/64} MD step = 410800 step time: 00:00:00.378277 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:19:09,708 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410800 82160 161.41 8460.4 17691 -9230.4 -9230.4 20.993 20.941 9.6808 1.872e+05 2024-05-10 00:19:47,764 INFO [main.py:798]
{rank 0/64} MD step = 410900 step time: 00:00:00.394678 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:19:56,799 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 410900 82180 158.87 8290.9 17413 -9121.9 -9121.9 20.998 20.945 9.6829 1.8726e+05 2024-05-10 00:20:36,794 INFO [main.py:798]
{rank 0/64} MD step = 411000 step time: 00:00:00.424245 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:20:45,776 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 411000 82200 162.3 8606.9 17788 -9181.1 -9181.1 21.003 20.949 9.6858 1.8728e+05 2024-05-10 00:21:23,118 INFO [main.py:798]
{rank 0/64} MD step = 411100 step time: 00:00:00.386264 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:21:32,381 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 411100 82220 160.01 8340.1 17537 -9197.1 -9197.1 21.008 20.954 9.6882 1.8732e+05 2024-05-10 00:22:10,544 INFO [main.py:798]
{rank 0/64} MD step = 411200 step time: 00:00:00.393846 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:22:19,441 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 411200 82240 158.97 8319.5 17424 -9104.3 -9104.3 21.011 20.958 9.6882 1.8736e+05 2024-05-10 00:22:58,350 INFO [main.py:798]
{rank 0/64} MD step = 411300 step time: 00:00:00.392856 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:23:19,456 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 411300 82260 159.88 8406.9 17523 -9116.3 -9116.3 21.018 20.964 9.6923 1.8743e+05 2024-05-10 00:24:00,411 INFO [main.py:798]
{rank 0/64} MD step = 411400 step time: 00:00:00.359732 Performance: 36.475 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:24:08,272 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 411400 82280 159.4 8321.1 17471 -9149.6 -9149.6 21.024 20.969 9.6957 1.8745e+05 2024-05-10 00:24:47,216 INFO [main.py:798]
{rank 0/64} MD step = 411500 step time: 00:00:00.397852 Performance: 36.475 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:24:59,956 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 411500 82300 160.97 8604 17642 -9038.5 -9038.5 21.028 20.975 9.6991 1.8751e+05 2024-05-10 00:25:38,153 INFO [main.py:798]
{rank 0/64} MD step = 411600 step time: 00:00:00.363536 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:25:45,874 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 411600 82320 161.17 8562.4 17665 -9102.2 -9102.2 21.034 20.981 9.7025 1.8754e+05 2024-05-10 00:26:24,812 INFO [main.py:798]
{rank 0/64} MD step = 411700 step time: 00:00:00.362350 Performance: 36.475 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:26:34,266 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 411700 82340 159.81 8353.8 17516 -9161.7 -9161.7 21.039 20.986 9.705 1.8756e+05 2024-05-10 00:27:12,299 INFO [main.py:798]
{rank 0/64} MD step = 411800 step time: 00:00:00.380724 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:27:19,221 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 411800 82360 160.57 8336 17599 -9262.9 -9262.9 21.045 20.99 9.7084 1.876e+05 2024-05-10 00:27:58,424 INFO [main.py:798]
{rank 0/64} MD step = 411900 step time: 00:00:00.370033 Performance: 36.475 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:28:05,459 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 411900 82380 161.09 8475.4 17656 -9180.7 -9180.7 21.05 20.996 9.709 1.8763e+05 2024-05-10 00:28:39,319 INFO [main.py:798]
{rank 0/64} MD step = 412000 step time: 00:00:00.346534 Performance: 36.476 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:28:48,926 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 412000 82400 160.31 8341.9 17570 -9227.8 -9227.8 21.055 21 9.7119 1.8766e+05 2024-05-10 00:29:25,002 INFO [main.py:798]
{rank 0/64} MD step = 412100 step time: 00:00:00.384076 Performance: 36.476 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:29:33,130 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 412100 82420 158.09 8075.8 17327 -9251.2 -9251.2 21.06 21.007 9.7128 1.877e+05 2024-05-10 00:30:09,693 INFO [main.py:798]
{rank 0/64} MD step = 412200 step time: 00:00:00.352224 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:30:17,566 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 412200 82440 162.36 8578.9 17795 -9216.5 -9216.5 21.065 21.01 9.7139 1.8776e+05 2024-05-10 00:30:52,005 INFO [main.py:798]
{rank 0/64} MD step = 412300 step time: 00:00:00.350166 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:31:05,715 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 412300 82460 159.14 8228.7 17442 -9213.3 -9213.3 21.07 21.016 9.7159 1.878e+05 2024-05-10 00:31:41,752 INFO [main.py:798]
{rank 0/64} MD step = 412400 step time: 00:00:00.422237 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:31:47,545 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 412400 82480 159.79 8314.3 17513 -9198.6 -9198.6 21.077 21.021 9.7183 1.8787e+05 2024-05-10 00:32:27,034 INFO [main.py:798]
{rank 0/64} MD step = 412500 step time: 00:00:00.393345 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:32:35,585 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 412500 82500 159.62 8331 17495 -9164 -9164 21.082 21.028 9.7187 1.8795e+05 2024-05-10 00:33:15,109 INFO [main.py:798]
{rank 0/64} MD step = 412600 step time: 00:00:00.410999 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:33:21,367 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 412600 82520 164.12 8791.1 17987 -9196.4 -9196.4 21.087 21.033 9.7219 1.8796e+05 2024-05-10 00:34:03,907 INFO [main.py:798]
{rank 0/64} MD step = 412700 step time: 00:00:00.404940 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:34:11,328 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 412700 82540 159.28 8296.4 17457 -9160.4 -9160.4 21.093 21.04 9.7243 1.8801e+05 2024-05-10 00:34:49,109 INFO [main.py:798]
{rank 0/64} MD step = 412800 step time: 00:00:00.400974 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:35:01,109 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 412800 82560 163.02 8660.8 17867 -9206.3 -9206.3 21.098 21.046 9.7277 1.8805e+05 2024-05-10 00:35:39,801 INFO [main.py:798]
{rank 0/64} MD step = 412900 step time: 00:00:00.381799 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:35:44,387 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 412900 82580 160.19 8409.9 17556 -9146.6 -9146.6 21.102 21.051 9.7319 1.8808e+05 2024-05-10 00:36:26,578 INFO [main.py:798]
{rank 0/64} MD step = 413000 step time: 00:00:00.406005 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:36:35,200 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 413000 82600 158.65 8241.9 17388 -9146.2 -9146.2 21.106 21.059 9.7353 1.8813e+05 2024-05-10 00:37:15,490 INFO [main.py:798]
{rank 0/64} MD step = 413100 step time: 00:00:00.380793 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:37:51,130 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 413100 82620 159.99 8357.8 17536 -9177.7 -9177.7 21.112 21.064 9.7387 1.8815e+05 2024-05-10 00:38:28,799 INFO [main.py:798]
{rank 0/64} MD step = 413200 step time: 00:00:00.392040 Performance: 36.472 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:38:36,766 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 413200 82640 160.01 8338 17537 -9199.1 -9199.1 21.118 21.068 9.7418 1.8821e+05 2024-05-10 00:39:15,516 INFO [main.py:798]
{rank 0/64} MD step = 413300 step time: 00:00:00.376448 Performance: 36.472 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:39:25,028 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 413300 82660 159.96 8281.9 17532 -9250.4 -9250.4 21.123 21.073 9.7452 1.8824e+05 2024-05-10 00:40:02,895 INFO [main.py:798]
{rank 0/64} MD step = 413400 step time: 00:00:00.392680 Performance: 36.472 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:40:08,951 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 413400 82680 160.62 8392.9 17604 -9211.1 -9211.1 21.127 21.077 9.7475 1.8828e+05 2024-05-10 00:40:49,188 INFO [main.py:798]
{rank 0/64} MD step = 413500 step time: 00:00:00.385944 Performance: 36.472 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:40:53,647 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 413500 82700 159.82 8312.3 17516 -9204 -9204 21.132 21.083 9.7499 1.8832e+05 2024-05-10 00:41:32,662 INFO [main.py:798]
{rank 0/64} MD step = 413600 step time: 00:00:00.390756 Performance: 36.473 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:41:40,237 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 413600 82720 157.97 8176 17314 -9137.5 -9137.5 21.137 21.087 9.7519 1.8838e+05 2024-05-10 00:42:18,623 INFO [main.py:798]
{rank 0/64} MD step = 413700 step time: 00:00:00.393841 Performance: 36.473 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:42:27,575 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 413700 82740 160.1 8285.8 17547 -9261.5 -9261.5 21.141 21.093 9.7541 1.8841e+05 2024-05-10 00:43:05,285 INFO [main.py:798]
{rank 0/64} MD step = 413800 step time: 00:00:00.380072 Performance: 36.473 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:43:12,430 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 413800 82760 159.67 8291.1 17500 -9209.2 -9209.2 21.148 21.099 9.7568 1.8843e+05 2024-05-10 00:43:52,067 INFO [main.py:798]
{rank 0/64} MD step = 413900 step time: 00:00:00.438608 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:43:58,726 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 413900 82780 157.82 8061.9 17298 -9235.6 -9235.6 21.154 21.103 9.7596 1.8849e+05 2024-05-10 00:44:37,717 INFO [main.py:798]
{rank 0/64} MD step = 414000 step time: 00:00:00.413217 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:44:45,879 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 414000 82800 158.7 8177 17394 -9217.2 -9217.2 21.159 21.109 9.7613 1.8855e+05 2024-05-10 00:45:25,921 INFO [main.py:798]
{rank 0/64} MD step = 414100 step time: 00:00:00.349947 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:45:34,506 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 414100 82820 161.67 8490.1 17720 -9229.6 -9229.6 21.166 21.118 9.7642 1.8856e+05 2024-05-10 00:46:13,190 INFO [main.py:798]
{rank 0/64} MD step = 414200 step time: 00:00:00.379993 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:46:20,778 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 414200 82840 161.02 8319.5 17648 -9328.3 -9328.3 21.169 21.123 9.7676 1.8858e+05 2024-05-10 00:46:59,988 INFO [main.py:798]
{rank 0/64} MD step = 414300 step time: 00:00:00.388754 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:47:06,236 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 414300 82860 161.39 8456.1 17689 -9232.9 -9232.9 21.176 21.127 9.7682 1.8864e+05 2024-05-10 00:47:44,949 INFO [main.py:798]
{rank 0/64} MD step = 414400 step time: 00:00:00.363669 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:47:54,208 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 414400 82880 160.64 8264.8 17606 -9341 -9341 21.181 21.131 9.7705 1.887e+05 2024-05-10 00:48:32,876 INFO [main.py:798]
{rank 0/64} MD step = 414500 step time: 00:00:00.351647 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:48:43,216 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 414500 82900 157.07 8048.1 17215 -9166.9 -9166.9 21.186 21.139 9.7748 1.8877e+05 2024-05-10 00:49:21,189 INFO [main.py:798]
{rank 0/64} MD step = 414600 step time: 00:00:00.389993 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:49:28,198 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 414600 82920 158.86 8139 17411 -9272.2 -9272.2 21.192 21.143 9.7772 1.8877e+05 2024-05-10 00:50:06,334 INFO [main.py:798]
{rank 0/64} MD step = 414700 step time: 00:00:00.405275 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:50:16,062 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 414700 82940 156.96 7967.5 17203 -9235.5 -9235.5 21.198 21.149 9.7809 1.8885e+05 2024-05-10 00:50:54,338 INFO [main.py:798]
{rank 0/64} MD step = 414800 step time: 00:00:00.390264 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:51:01,849 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 414800 82960 161.6 8543.9 17711 -9167.5 -9167.5 21.204 21.153 9.7843 1.8886e+05 2024-05-10 00:51:41,055 INFO [main.py:798]
{rank 0/64} MD step = 414900 step time: 00:00:00.368521 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:51:47,467 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 414900 82980 159.91 8231.2 17527 -9295.3 -9295.3 21.207 21.158 9.7874 1.8888e+05 2024-05-10 00:52:27,353 INFO [main.py:798]
{rank 0/64} MD step = 415000 step time: 00:00:00.383961 Performance: 36.475 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:52:33,679 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 415000 83000 162.31 8596.2 17789 -9192.9 -9192.9 21.212 21.163 9.7895 1.8893e+05 2024-05-10 00:53:12,815 INFO [main.py:798]
{rank 0/64} MD step = 415100 step time: 00:00:00.381865 Performance: 36.475 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:53:22,336 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 415100 83020 162.92 8732.3 17857 -9124.3 -9124.3 21.216 21.166 9.7934 1.8899e+05 2024-05-10 00:53:59,147 INFO [main.py:798]
{rank 0/64} MD step = 415200 step time: 00:00:00.397956 Performance: 36.475 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:54:08,830 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 415200 83040 160.73 8455.1 17616 -9161 -9161 21.224 21.174 9.7963 1.8907e+05 2024-05-10 00:54:48,103 INFO [main.py:798]
{rank 0/64} MD step = 415300 step time: 00:00:00.415967 Performance: 36.475 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:54:54,917 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 415300 83060 158.77 8186.2 17401 -9215.2 -9215.2 21.228 21.179 9.7999 1.8911e+05 2024-05-10 00:55:33,577 INFO [main.py:798]
{rank 0/64} MD step = 415400 step time: 00:00:00.396719 Performance: 36.475 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:55:42,229 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 415400 83080 158.4 8120.8 17361 -9240.1 -9240.1 21.234 21.187 9.7997 1.8912e+05 2024-05-10 00:56:19,552 INFO [main.py:798]
{rank 0/64} MD step = 415500 step time: 00:00:00.391126 Performance: 36.476 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:56:26,222 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 415500 83100 159.81 8309.4 17516 -9206.3 -9206.3 21.239 21.193 9.8024 1.8916e+05 2024-05-10 00:57:04,393 INFO [main.py:798]
{rank 0/64} MD step = 415600 step time: 00:00:00.406118 Performance: 36.476 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:57:12,912 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 415600 83120 160.51 8372.5 17592 -9219.4 -9219.4 21.244 21.198 9.8058 1.892e+05 2024-05-10 00:57:52,533 INFO [main.py:798]
{rank 0/64} MD step = 415700 step time: 00:00:00.391047 Performance: 36.476 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:57:59,436 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 415700 83140 158.9 8130.9 17415 -9284.3 -9284.3 21.252 21.203 9.8086 1.8923e+05 2024-05-10 00:58:38,780 INFO [main.py:798]
{rank 0/64} MD step = 415800 step time: 00:00:00.396128 Performance: 36.476 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:58:48,889 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 415800 83160 160.03 8301.2 17539 -9238 -9238 21.255 21.209 9.8102 1.8928e+05 2024-05-10 00:59:27,634 INFO [main.py:798]
{rank 0/64} MD step = 415900 step time: 00:00:00.358585 Performance: 36.476 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 00:59:38,089 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 415900 83180 159.01 8186.3 17428 -9241.6 -9241.6 21.26 21.213 9.8116 1.8932e+05 2024-05-10 01:00:16,402 INFO [main.py:798]
{rank 0/64} MD step = 416000 step time: 00:00:00.383775 Performance: 36.476 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:00:26,786 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416000 83200 159.54 8283.9 17485 -9201.6 -9201.6 21.264 21.218 9.8135 1.8935e+05 2024-05-10 01:01:05,080 INFO [main.py:798]
{rank 0/64} MD step = 416100 step time: 00:00:00.377007 Performance: 36.475 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:01:10,764 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416100 83220 162.28 8593.5 17786 -9192.8 -9192.8 21.27 21.222 9.8157 1.8942e+05 2024-05-10 01:01:50,318 INFO [main.py:798]
{rank 0/64} MD step = 416200 step time: 00:00:00.399673 Performance: 36.476 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:01:57,533 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416200 83240 162.62 8562.8 17823 -9260.4 -9260.4 21.276 21.226 9.8169 1.8943e+05 2024-05-10 01:02:35,334 INFO [main.py:798]
{rank 0/64} MD step = 416300 step time: 00:00:00.396929 Performance: 36.476 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:02:41,492 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416300 83260 158.56 8221.1 17378 -9157.3 -9157.3 21.28 21.232 9.8195 1.8951e+05 2024-05-10 01:03:21,603 INFO [main.py:798]
{rank 0/64} MD step = 416400 step time: 00:00:00.385029 Performance: 36.476 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:03:29,032 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416400 83280 159.39 8268.4 17469 -9200.5 -9200.5 21.287 21.236 9.8238 1.8954e+05 2024-05-10 01:04:09,462 INFO [main.py:798]
{rank 0/64} MD step = 416500 step time: 00:00:00.409995 Performance: 36.476 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:04:21,445 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416500 83300 158.41 8205.7 17362 -9155.9 -9155.9 21.293 21.239 9.8257 1.8958e+05 2024-05-10 01:04:59,471 INFO [main.py:798]
{rank 0/64} MD step = 416600 step time: 00:00:00.375840 Performance: 36.476 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:05:09,029 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416600 83320 160.84 8314.3 17628 -9313.5 -9313.5 21.298 21.244 9.829 1.8962e+05 2024-05-10 01:05:47,130 INFO [main.py:798]
{rank 0/64} MD step = 416700 step time: 00:00:00.380068 Performance: 36.476 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:05:56,001 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416700 83340 159.68 8211.9 17501 -9288.9 -9288.9 21.304 21.25 9.8313 1.8969e+05 2024-05-10 01:06:34,324 INFO [main.py:798]
{rank 0/64} MD step = 416800 step time: 00:00:00.403513 Performance: 36.476 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:06:41,778 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416800 83360 159.97 8306.3 17533 -9226.6 -9226.6 21.308 21.255 9.8326 1.8976e+05 2024-05-10 01:07:20,620 INFO [main.py:798]
{rank 0/64} MD step = 416900 step time: 00:00:00.401843 Performance: 36.476 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:07:29,534 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 416900 83380 160.57 8431.2 17599 -9167.9 -9167.9 21.312 21.261 9.8339 1.8976e+05 2024-05-10 01:08:07,602 INFO [main.py:798]
{rank 0/64} MD step = 417000 step time: 00:00:00.413092 Performance: 36.476 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:08:15,819 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 417000 83400 159.16 8192 17445 -9252.6 -9252.6 21.316 21.267 9.8365 1.8979e+05 2024-05-10 01:08:58,281 INFO [main.py:798]
{rank 0/64} MD step = 417100 step time: 00:00:00.406173 Performance: 36.475 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:09:07,140 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 417100 83420 160.95 8607.5 17640 -9032.7 -9032.7 21.32 21.273 9.8394 1.8983e+05 2024-05-10 01:09:45,934 INFO [main.py:798]
{rank 0/64} MD step = 417200 step time: 00:00:00.356705 Performance: 36.475 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:10:00,202 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 417200 83440 158.59 8178.1 17382 -9204.1 -9204.1 21.324 21.277 9.8414 1.8988e+05 2024-05-10 01:10:37,957 INFO [main.py:798]
{rank 0/64} MD step = 417300 step time: 00:00:00.381907 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:11:05,875 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 417300 83460 158.68 8150.3 17392 -9241.5 -9241.5 21.33 21.282 9.8439 1.899e+05 2024-05-10 01:11:42,659 INFO [main.py:798]
{rank 0/64} MD step = 417400 step time: 00:00:00.380759 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:12:06,527 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 417400 83480 158.82 8266.6 17407 -9140.3 -9140.3 21.334 21.288 9.8469 1.8997e+05 2024-05-10 01:12:44,886 INFO [main.py:798]
{rank 0/64} MD step = 417500 step time: 00:00:00.373272 Performance: 36.469 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 01:12:59,946 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 417500 83500 160.93 8437 17638 -9201.2 -9201.2 21.34 21.292 9.8501 1.9e+05 2024-05-10 01:13:37,726 INFO [main.py:798]
{rank 0/64} MD step = 417600 step time: 00:00:00.390571 Performance: 36.468 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 01:13:46,247 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 417600 83520 159.3 8340.7 17460 -9119.2 -9119.2 21.347 21.298 9.8511 1.9002e+05 2024-05-10 01:14:25,876 INFO [main.py:798]
{rank 0/64} MD step = 417700 step time: 00:00:00.462162 Performance: 36.467 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 01:14:32,453 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 417700 83540 159.55 8264.6 17487 -9222.6 -9222.6 21.352 21.302 9.8529 1.9007e+05 2024-05-10 01:15:12,848 INFO [main.py:798]
{rank 0/64} MD step = 417800 step time: 00:00:00.385772 Performance: 36.467 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 01:15:21,590 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 417800 83560 161.99 8646.9 17755 -9107.7 -9107.7 21.358 21.307 9.8571 1.9013e+05 2024-05-10 01:15:58,123 INFO [main.py:798]
{rank 0/64} MD step = 417900 step time: 00:00:00.397041 Performance: 36.468 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 01:16:04,992 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 417900 83580 159.08 8264.8 17435 -9170.4 -9170.4 21.363 21.312 9.8584 1.9013e+05 2024-05-10 01:16:42,449 INFO [main.py:798]
{rank 0/64} MD step = 418000 step time: 00:00:00.373412 Performance: 36.468 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 01:16:50,480 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 418000 83600 160.14 8231 17551 -9320.5 -9320.5 21.368 21.316 9.8619 1.9017e+05 2024-05-10 01:17:29,276 INFO [main.py:798]
{rank 0/64} MD step = 418100 step time: 00:00:00.374006 Performance: 36.469 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 01:17:37,795 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 418100 83620 160.27 8393.1 17566 -9173 -9173 21.374 21.322 9.8654 1.9024e+05 2024-05-10 01:18:16,344 INFO [main.py:798]
{rank 0/64} MD step = 418200 step time: 00:00:00.361436 Performance: 36.469 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 01:18:25,950 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 418200 83640 161.76 8519.7 17729 -9209.7 -9209.7 21.38 21.327 9.867 1.9027e+05 2024-05-10 01:19:04,425 INFO [main.py:798]
{rank 0/64} MD step = 418300 step time: 00:00:00.389642 Performance: 36.468 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 01:19:13,879 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 418300 83660 159.79 8188.4 17513 -9325 -9325 21.384 21.332 9.8695 1.9031e+05 2024-05-10 01:19:52,861 INFO [main.py:798]
{rank 0/64} MD step = 418400 step time: 00:00:00.385695 Performance: 36.468 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 01:20:00,270 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 418400 83680 156.54 7984.7 17157 -9172.6 -9172.6 21.388 21.339 9.8694 1.9036e+05 2024-05-10 01:20:39,180 INFO [main.py:798]
{rank 0/64} MD step = 418500 step time: 00:00:00.374024 Performance: 36.468 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 01:20:47,555 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 418500 83700 159.68 8346 17501 -9155.5 -9155.5 21.391 21.344 9.8723 1.9041e+05 2024-05-10 01:21:23,759 INFO [main.py:798]
{rank 0/64} MD step = 418600 step time: 00:00:00.365746 Performance: 36.469 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 01:21:30,430 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 418600 83720 162.43 8615.5 17802 -9186.5 -9186.5 21.394 21.35 9.8749 1.9045e+05 2024-05-10 01:22:08,734 INFO [main.py:798]
{rank 0/64} MD step = 418700 step time: 00:00:00.382249 Performance: 36.469 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 01:22:15,637 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 418700 83740 162.21 8542.7 17779 -9236 -9236 21.401 21.355 9.8786 1.9053e+05 2024-05-10 01:22:54,433 INFO [main.py:798]
{rank 0/64} MD step = 418800 step time: 00:00:00.373999 Performance: 36.470 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:23:03,898 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 418800 83760 161.18 8467 17666 -9198.6 -9198.6 21.406 21.36 9.8815 1.9058e+05 2024-05-10 01:23:43,514 INFO [main.py:798]
{rank 0/64} MD step = 418900 step time: 00:00:00.390797 Performance: 36.469 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 01:23:52,303 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 418900 83780 157.84 8204.1 17299 -9095.3 -9095.3 21.412 21.365 9.8837 1.9062e+05 2024-05-10 01:24:30,224 INFO [main.py:798]
{rank 0/64} MD step = 419000 step time: 00:00:00.401440 Performance: 36.470 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:24:38,011 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 419000 83800 161.39 8518.5 17689 -9170.1 -9170.1 21.418 21.372 9.8868 1.9065e+05 2024-05-10 01:25:16,388 INFO [main.py:798]
{rank 0/64} MD step = 419100 step time: 00:00:00.357313 Performance: 36.470 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:25:22,400 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 419100 83820 160.31 8421.2 17570 -9148.9 -9148.9 21.423 21.375 9.8893 1.907e+05 2024-05-10 01:26:00,701 INFO [main.py:798]
{rank 0/64} MD step = 419200 step time: 00:00:00.355874 Performance: 36.470 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:26:10,972 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 419200 83840 161.98 8690.4 17754 -9063.2 -9063.2 21.427 21.381 9.8922 1.9073e+05 2024-05-10 01:26:49,070 INFO [main.py:798]
{rank 0/64} MD step = 419300 step time: 00:00:00.365698 Performance: 36.470 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:26:56,681 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 419300 83860 160.53 8317.6 17594 -9276.4 -9276.4 21.433 21.385 9.895 1.9077e+05 2024-05-10 01:27:36,101 INFO [main.py:798]
{rank 0/64} MD step = 419400 step time: 00:00:00.370407 Performance: 36.470 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:27:42,963 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 419400 83880 159.98 8446.1 17534 -9088.2 -9088.2 21.44 21.39 9.8988 1.9082e+05 2024-05-10 01:28:22,535 INFO [main.py:798]
{rank 0/64} MD step = 419500 step time: 00:00:00.341682 Performance: 36.470 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:28:35,675 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 419500 83900 161.24 8427.7 17672 -9243.9 -9243.9 21.446 21.397 9.9017 1.9083e+05 2024-05-10 01:29:14,232 INFO [main.py:798]
{rank 0/64} MD step = 419600 step time: 00:00:00.351063 Performance: 36.470 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:29:22,424 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 419600 83920 161.32 8460 17681 -9220.5 -9220.5 21.451 21.402 9.9053 1.9087e+05 2024-05-10 01:30:00,950 INFO [main.py:798]
{rank 0/64} MD step = 419700 step time: 00:00:00.361724 Performance: 36.470 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:30:08,478 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 419700 83940 161.56 8526.5 17707 -9180.2 -9180.2 21.455 21.406 9.9079 1.9094e+05 2024-05-10 01:30:48,694 INFO [main.py:798]
{rank 0/64} MD step = 419800 step time: 00:00:00.372336 Performance: 36.470 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:30:55,299 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 419800 83960 160.06 8284 17543 -9258.6 -9258.6 21.46 21.412 9.9097 1.9098e+05 2024-05-10 01:31:33,965 INFO [main.py:798]
{rank 0/64} MD step = 419900 step time: 00:00:00.384421 Performance: 36.470 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:31:41,047 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 419900 83980 158.58 8159.9 17381 -9220.8 -9220.8 21.465 21.419 9.9133 1.9106e+05 2024-05-10 01:32:19,443 INFO [main.py:798]
{rank 0/64} MD step = 420000 step time: 00:00:00.369650 Performance: 36.470 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:32:29,606 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420000 84000 159.8 8249 17514 -9265.1 -9265.1 21.47 21.424 9.9153 1.9108e+05 2024-05-10 01:33:07,321 INFO [main.py:798]
{rank 0/64} MD step = 420100 step time: 00:00:00.372631 Performance: 36.470 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:33:14,937 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420100 84020 156.75 8001.6 17180 -9178.6 -9178.6 21.474 21.429 9.9176 1.9113e+05 2024-05-10 01:33:53,282 INFO [main.py:798]
{rank 0/64} MD step = 420200 step time: 00:00:00.369963 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:34:01,303 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420200 84040 159.82 8383.2 17516 -9133.2 -9133.2 21.479 21.435 9.9208 1.9121e+05 2024-05-10 01:34:39,289 INFO [main.py:798]
{rank 0/64} MD step = 420300 step time: 00:00:00.369176 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:34:47,075 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420300 84060 158.37 8267.7 17358 -9089.9 -9089.9 21.485 21.438 9.9218 1.9125e+05 2024-05-10 01:35:26,513 INFO [main.py:798]
{rank 0/64} MD step = 420400 step time: 00:00:00.405982 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:35:33,349 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420400 84080 160.48 8463 17589 -9125.6 -9125.6 21.491 21.442 9.9257 1.9127e+05 2024-05-10 01:36:13,454 INFO [main.py:798]
{rank 0/64} MD step = 420500 step time: 00:00:00.416611 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:36:22,064 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420500 84100 161.5 8506.4 17701 -9194.5 -9194.5 21.497 21.448 9.9277 1.9133e+05 2024-05-10 01:37:01,390 INFO [main.py:798]
{rank 0/64} MD step = 420600 step time: 00:00:00.374568 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:37:11,546 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420600 84120 162.85 8699.5 17848 -9148.7 -9148.7 21.503 21.453 9.9311 1.9135e+05 2024-05-10 01:37:50,787 INFO [main.py:798]
{rank 0/64} MD step = 420700 step time: 00:00:00.425826 Performance: 36.470 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:37:58,894 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420700 84140 161.33 8440.9 17682 -9240.9 -9240.9 21.508 21.46 9.9332 1.9138e+05 2024-05-10 01:38:37,964 INFO [main.py:798]
{rank 0/64} MD step = 420800 step time: 00:00:00.376623 Performance: 36.470 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:38:45,624 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420800 84160 159.67 8301.5 17500 -9198.5 -9198.5 21.514 21.464 9.9365 1.9145e+05 2024-05-10 01:39:23,806 INFO [main.py:798]
{rank 0/64} MD step = 420900 step time: 00:00:00.369444 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:39:30,936 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 420900 84180 159.33 8348.7 17463 -9114.1 -9114.1 21.519 21.47 9.9382 1.9148e+05 2024-05-10 01:40:10,266 INFO [main.py:798]
{rank 0/64} MD step = 421000 step time: 00:00:00.411863 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:40:22,908 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421000 84200 163.1 8674.6 17876 -9201.4 -9201.4 21.523 21.476 9.942 1.9156e+05 2024-05-10 01:41:00,530 INFO [main.py:798]
{rank 0/64} MD step = 421100 step time: 00:00:00.381838 Performance: 36.470 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:41:10,160 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421100 84220 158.9 8072.5 17415 -9342.6 -9342.6 21.528 21.48 9.9447 1.9159e+05 2024-05-10 01:41:48,544 INFO [main.py:798]
{rank 0/64} MD step = 421200 step time: 00:00:00.398012 Performance: 36.470 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:41:57,868 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421200 84240 158.96 8293 17422 -9128.7 -9128.7 21.533 21.485 9.9484 1.9162e+05 2024-05-10 01:42:35,201 INFO [main.py:798]
{rank 0/64} MD step = 421300 step time: 00:00:00.382040 Performance: 36.470 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:42:41,790 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421300 84260 159.28 8408 17457 -9049.3 -9049.3 21.536 21.49 9.9501 1.9171e+05 2024-05-10 01:43:19,217 INFO [main.py:798]
{rank 0/64} MD step = 421400 step time: 00:00:00.384102 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:43:26,885 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421400 84280 158.01 8124.9 17318 -9193.1 -9193.1 21.541 21.495 9.9536 1.9172e+05 2024-05-10 01:44:05,192 INFO [main.py:798]
{rank 0/64} MD step = 421500 step time: 00:00:00.377766 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:44:13,153 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421500 84300 158.08 8229.3 17326 -9096.3 -9096.3 21.549 21.501 9.956 1.9177e+05 2024-05-10 01:44:52,981 INFO [main.py:798]
{rank 0/64} MD step = 421600 step time: 00:00:00.372356 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:45:01,403 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421600 84320 160.41 8490.8 17581 -9090 -9090 21.552 21.506 9.9594 1.9177e+05 2024-05-10 01:45:40,258 INFO [main.py:798]
{rank 0/64} MD step = 421700 step time: 00:00:00.389118 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:45:47,108 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421700 84340 160.8 8365.7 17624 -9258.7 -9258.7 21.558 21.514 9.9613 1.9183e+05 2024-05-10 01:46:26,017 INFO [main.py:798]
{rank 0/64} MD step = 421800 step time: 00:00:00.394075 Performance: 36.472 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:46:33,541 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421800 84360 157.28 8084.5 17238 -9153.3 -9153.3 21.562 21.518 9.9602 1.9184e+05 2024-05-10 01:47:11,376 INFO [main.py:798]
{rank 0/64} MD step = 421900 step time: 00:00:00.411519 Performance: 36.472 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:47:18,828 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 421900 84380 161.86 8547.1 17740 -9193.1 -9193.1 21.568 21.522 9.9654 1.9189e+05 2024-05-10 01:47:57,474 INFO [main.py:798]
{rank 0/64} MD step = 422000 step time: 00:00:00.362573 Performance: 36.472 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:48:06,256 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422000 84400 158.79 8179.8 17404 -9223.9 -9223.9 21.575 21.526 9.9683 1.9193e+05 2024-05-10 01:48:44,166 INFO [main.py:798]
{rank 0/64} MD step = 422100 step time: 00:00:00.365305 Performance: 36.472 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:48:53,035 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422100 84420 159.42 8270.1 17473 -9202.7 -9202.7 21.58 21.531 9.9709 1.9198e+05 2024-05-10 01:49:34,143 INFO [main.py:798]
{rank 0/64} MD step = 422200 step time: 00:00:00.354848 Performance: 36.472 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:49:42,248 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422200 84440 159.85 8223.6 17520 -9296.2 -9296.2 21.586 21.535 9.9744 1.9204e+05 2024-05-10 01:50:17,169 INFO [main.py:798]
{rank 0/64} MD step = 422300 step time: 00:00:00.335396 Performance: 36.473 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:50:25,036 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422300 84460 161.49 8655.7 17699 -9043.4 -9043.4 21.591 21.541 9.9765 1.9209e+05 2024-05-10 01:51:04,018 INFO [main.py:798]
{rank 0/64} MD step = 422400 step time: 00:00:00.379906 Performance: 36.473 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:51:12,456 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422400 84480 159.99 8340.8 17535 -9193.9 -9193.9 21.595 21.546 9.9793 1.9212e+05 2024-05-10 01:51:47,656 INFO [main.py:798]
{rank 0/64} MD step = 422500 step time: 00:00:00.349824 Performance: 36.473 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:51:56,650 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422500 84500 157.65 8075.6 17278 -9202.6 -9202.6 21.6 21.551 9.9796 1.9216e+05 2024-05-10 01:52:31,538 INFO [main.py:798]
{rank 0/64} MD step = 422600 step time: 00:00:00.338826 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:52:40,996 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422600 84520 158.47 8200.8 17368 -9167.4 -9167.4 21.606 21.557 9.9799 1.9222e+05 2024-05-10 01:53:17,848 INFO [main.py:798]
{rank 0/64} MD step = 422700 step time: 00:00:00.377069 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:53:24,826 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422700 84540 160.39 8448 17579 -9131.2 -9131.2 21.612 21.562 9.9827 1.9228e+05 2024-05-10 01:54:01,267 INFO [main.py:798]
{rank 0/64} MD step = 422800 step time: 00:00:00.344450 Performance: 36.475 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:54:12,013 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422800 84560 159.7 8270.6 17504 -9233.1 -9233.1 21.617 21.566 9.9853 1.9233e+05 2024-05-10 01:54:49,696 INFO [main.py:798]
{rank 0/64} MD step = 422900 step time: 00:00:00.363195 Performance: 36.475 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:54:57,678 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 422900 84580 159.78 8286.1 17512 -9226.1 -9226.1 21.622 21.572 9.9868 1.9237e+05 2024-05-10 01:55:32,563 INFO [main.py:798]
{rank 0/64} MD step = 423000 step time: 00:00:00.398797 Performance: 36.476 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:55:38,694 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 423000 84600 158.79 8219.8 17404 -9183.9 -9183.9 21.629 21.576 9.9902 1.9241e+05 2024-05-10 01:56:15,446 INFO [main.py:798]
{rank 0/64} MD step = 423100 step time: 00:00:00.368345 Performance: 36.476 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:56:23,490 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 423100 84620 159 8277.6 17427 -9149.2 -9149.2 21.634 21.582 9.9934 1.9245e+05 2024-05-10 01:56:59,426 INFO [main.py:798]
{rank 0/64} MD step = 423200 step time: 00:00:00.346336 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:57:04,900 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 423200 84640 160.2 8355.5 17558 -9202.5 -9202.5 21.639 21.587 9.9949 1.9251e+05 2024-05-10 01:57:44,757 INFO [main.py:798]
{rank 0/64} MD step = 423300 step time: 00:00:00.346185 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:57:50,393 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 423300 84660 159.55 8330.9 17487 -9155.6 -9155.6 21.646 21.594 9.9963 1.9253e+05 2024-05-10 01:58:26,551 INFO [main.py:798]
{rank 0/64} MD step = 423400 step time: 00:00:00.366037 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:58:33,143 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 423400 84680 158.91 8263.7 17417 -9153.6 -9153.6 21.651 21.599 9.9999 1.9259e+05 2024-05-10 01:59:12,383 INFO [main.py:798]
{rank 0/64} MD step = 423500 step time: 00:00:00.349787 Performance: 36.479 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 01:59:17,500 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 423500 84700 161.31 8384.4 17679 -9295.1 -9295.1 21.656 21.604 10.002 1.9265e+05 2024-05-10 01:59:54,085 INFO [main.py:798]
{rank 0/64} MD step = 423600 step time: 00:00:00.376381 Performance: 36.480 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 02:00:01,259 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 423600 84720 162.46 8602.8 17806 -9203.4 -9203.4 21.658 21.609 10.005 1.9268e+05 2024-05-10 02:00:36,746 INFO [main.py:798]
{rank 0/64} MD step = 423700 step time: 00:00:00.367917 Performance: 36.481 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 02:00:44,419 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 423700 84740 157.18 8080.6 17227 -9146.2 -9146.2 21.664 21.615 10.007 1.9272e+05 2024-05-10 02:01:21,338 INFO [main.py:798]
{rank 0/64} MD step = 423800 step time: 00:00:00.375865 Performance: 36.481 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 02:01:29,389 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 423800 84760 159.37 8241.4 17467 -9225.6 -9225.6 21.667 21.619 10.01 1.9274e+05 2024-05-10 02:02:07,163 INFO [main.py:798]
{rank 0/64} MD step = 423900 step time: 00:00:00.371102 Performance: 36.481 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 02:02:19,075 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 423900 84780 159.92 8299.4 17527 -9228 -9228 21.671 21.623 10.012 1.9278e+05 2024-05-10 02:02:56,772 INFO [main.py:798]
{rank 0/64} MD step = 424000 step time: 00:00:00.358158 Performance: 36.481 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 02:03:03,421 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 424000 84800 160.75 8293.7 17619 -9324.8 -9324.8 21.676 21.627 10.014 1.9284e+05 2024-05-10 02:03:41,843 INFO [main.py:798]
{rank 0/64} MD step = 424100 step time: 00:00:00.411317 Performance: 36.481 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 02:03:48,770 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 424100 84820 157.71 8020.9 17286 -9264.7 -9264.7 21.681 21.632 10.016 1.9284e+05 2024-05-10 02:04:23,591 INFO [main.py:798]
{rank 0/64} MD step = 424200 step time: 00:00:00.352024 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 02:04:31,918 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 424200 84840 161.89 8421.9 17743 -9320.9 -9320.9 21.687 21.637 10.019 1.9289e+05 2024-05-10 02:05:11,713 INFO [main.py:798]
{rank 0/64} MD step = 424300 step time: 00:00:00.382068 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 02:05:22,428 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 424300 84860 159.67 8279.8 17500 -9220.3 -9220.3 21.694 21.644 10.022 1.9292e+05 2024-05-10 02:05:57,106 INFO [main.py:798]
{rank 0/64} MD step = 424400 step time: 00:00:00.351071 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 02:06:05,116 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 424400 84880 158.41 8156 17362 -9206.2 -9206.2 21.698 21.648 10.022 1.9296e+05 2024-05-10 02:06:43,297 INFO [main.py:798]
{rank 0/64} MD step = 424500 step time: 00:00:00.336323 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 02:06:52,254 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 424500 84900 161.24 8445.4 17672 -9226.3 -9226.3 21.701 21.655 10.023 1.9299e+05 2024-05-10 02:07:28,496 INFO [main.py:798]
{rank 0/64} MD step = 424600 step time: 00:00:00.385825 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 02:07:41,963 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 424600 84920 160.24 8429.1 17563 -9133.6 -9133.6 21.705 21.66 10.025 1.9305e+05 2024-05-10 02:08:19,426 INFO [main.py:798]
{rank 0/64} MD step = 424700 step time: 00:00:00.370221 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 02:08:27,615 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 424700 84940 159.68 8271.5 17501 -9229.6 -9229.6 21.709 21.667 10.03 1.931e+05 2024-05-10 02:09:04,301 INFO [main.py:798]
{rank 0/64} MD step = 424800 step time: 00:00:00.399635 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 02:09:12,464 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 424800 84960 159.1 8228.5 17437 -9208.8 -9208.8 21.715 21.672 10.033 1.9315e+05 2024-05-10 02:09:48,826 INFO [main.py:798]
{rank 0/64} MD step = 424900 step time: 00:00:00.353474 Performance: 36.484 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 02:10:00,200 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 424900 84980 158.72 8101.2 17396 -9294.4 -9294.4 21.719 21.675 10.035 1.932e+05 2024-05-10 02:10:37,837 INFO [main.py:798]
{rank 0/64} MD step = 425000 step time: 00:00:00.380702 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 02:10:45,479 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425000 85000 161.72 8554 17725 -9170.7 -9170.7 21.725 21.682 10.035 1.9326e+05 2024-05-10 02:11:20,186 INFO [main.py:798]
{rank 0/64} MD step = 425100 step time: 00:00:00.348594 Performance: 36.484 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 02:11:26,023 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425100 85020 158.95 8162.2 17421 -9259 -9259 21.728 21.689 10.038 1.9332e+05 2024-05-10 02:12:01,695 INFO [main.py:798]
{rank 0/64} MD step = 425200 step time: 00:00:00.363241 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 02:12:08,460 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425200 85040 161.43 8508.7 17693 -9184.1 -9184.1 21.734 21.694 10.041 1.9336e+05 2024-05-10 02:12:46,307 INFO [main.py:798]
{rank 0/64} MD step = 425300 step time: 00:00:00.397020 Performance: 36.486 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 02:12:53,036 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425300 85060 159.6 8247.6 17492 -9244.3 -9244.3 21.738 21.699 10.044 1.9335e+05 2024-05-10 02:13:28,853 INFO [main.py:798]
{rank 0/64} MD step = 425400 step time: 00:00:00.346925 Performance: 36.487 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 02:13:37,876 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425400 85080 157.88 8094.5 17304 -9209.1 -9209.1 21.742 21.705 10.048 1.9343e+05 2024-05-10 02:14:12,699 INFO [main.py:798]
{rank 0/64} MD step = 425500 step time: 00:00:00.387802 Performance: 36.487 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 02:14:20,802 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425500 85100 159.1 8218.5 17437 -9218.8 -9218.8 21.746 21.711 10.05 1.9344e+05 2024-05-10 02:14:57,803 INFO [main.py:798]
{rank 0/64} MD step = 425600 step time: 00:00:00.372787 Performance: 36.488 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 02:15:04,014 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425600 85120 158.55 8242.1 17377 -9135 -9135 21.75 21.717 10.051 1.9351e+05 2024-05-10 02:15:39,406 INFO [main.py:798]
{rank 0/64} MD step = 425700 step time: 00:00:00.363314 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 02:15:45,181 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425700 85140 159.12 8194.4 17439 -9245.1 -9245.1 21.753 21.723 10.054 1.9354e+05 2024-05-10 02:16:23,387 INFO [main.py:798]
{rank 0/64} MD step = 425800 step time: 00:00:00.368678 Performance: 36.489 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 02:16:34,126 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425800 85160 157.33 8013.2 17244 -9230.9 -9230.9 21.757 21.725 10.058 1.9356e+05 2024-05-10 02:17:08,961 INFO [main.py:798]
{rank 0/64} MD step = 425900 step time: 00:00:00.367398 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 02:17:17,728 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 425900 85180 157.49 8014.9 17261 -9246.3 -9246.3 21.762 21.731 10.06 1.9362e+05 2024-05-10 02:17:51,957 INFO [main.py:798]
{rank 0/64} MD step = 426000 step time: 00:00:00.349261 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 02:18:01,322 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426000 85200 159.09 8180.4 17437 -9256.4 -9256.4 21.768 21.738 10.062 1.9367e+05 2024-05-10 02:18:37,743 INFO [main.py:798]
{rank 0/64} MD step = 426100 step time: 00:00:00.333579 Performance: 36.491 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 02:18:45,333 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426100 85220 158.75 8212.2 17399 -9186.7 -9186.7 21.774 21.744 10.065 1.9373e+05 2024-05-10 02:19:20,650 INFO [main.py:798]
{rank 0/64} MD step = 426200 step time: 00:00:00.361577 Performance: 36.491 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 02:19:26,747 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426200 85240 159.78 8261.8 17512 -9250.7 -9250.7 21.779 21.75 10.068 1.9377e+05 2024-05-10 02:20:02,956 INFO [main.py:798]
{rank 0/64} MD step = 426300 step time: 00:00:00.390865 Performance: 36.492 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 02:20:10,868 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426300 85260 159.13 8329.1 17441 -9111.9 -9111.9 21.783 21.755 10.07 1.9382e+05 2024-05-10 02:20:48,671 INFO [main.py:798]
{rank 0/64} MD step = 426400 step time: 00:00:00.362438 Performance: 36.493 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 02:20:56,004 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426400 85280 161.81 8529.9 17735 -9205 -9205 21.786 21.76 10.072 1.9387e+05 2024-05-10 02:21:31,868 INFO [main.py:798]
{rank 0/64} MD step = 426500 step time: 00:00:00.366800 Performance: 36.493 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 02:21:40,391 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426500 85300 160.71 8360.3 17614 -9253.6 -9253.6 21.79 21.765 10.074 1.939e+05 2024-05-10 02:22:14,453 INFO [main.py:798]
{rank 0/64} MD step = 426600 step time: 00:00:00.347494 Performance: 36.494 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 02:22:21,365 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426600 85320 162.23 8482 17780 -9298.3 -9298.3 21.795 21.77 10.076 1.9397e+05 2024-05-10 02:22:57,854 INFO [main.py:798]
{rank 0/64} MD step = 426700 step time: 00:00:00.383017 Performance: 36.495 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 02:23:06,443 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426700 85340 158.96 8226.2 17422 -9196.2 -9196.2 21.8 21.776 10.08 1.9404e+05 2024-05-10 02:23:42,598 INFO [main.py:798]
{rank 0/64} MD step = 426800 step time: 00:00:00.374517 Performance: 36.495 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 02:23:49,969 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426800 85360 158.17 8047.7 17335 -9287.4 -9287.4 21.807 21.781 10.083 1.9406e+05 2024-05-10 02:24:25,737 INFO [main.py:798]
{rank 0/64} MD step = 426900 step time: 00:00:00.351267 Performance: 36.496 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 02:24:31,564 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 426900 85380 160.58 8301.8 17599 -9297.5 -9297.5 21.812 21.786 10.084 1.9407e+05 2024-05-10 02:25:06,619 INFO [main.py:798]
{rank 0/64} MD step = 427000 step time: 00:00:00.369306 Performance: 36.497 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 02:25:14,889 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 427000 85400 161.9 8496 17744 -9248 -9248 21.818 21.79 10.086 1.9412e+05 2024-05-10 02:25:51,998 INFO [main.py:798]
{rank 0/64} MD step = 427100 step time: 00:00:00.394343 Performance: 36.498 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 02:25:57,043 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 427100 85420 162.09 8654.9 17765 -9109.9 -9109.9 21.822 21.796 10.087 1.9418e+05 2024-05-10 02:26:36,200 INFO [main.py:798]
{rank 0/64} MD step = 427200 step time: 00:00:00.360566 Performance: 36.498 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 02:26:44,116 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 427200 85440 161.66 8531.5 17718 -9186.3 -9186.3 21.827 21.802 10.088 1.9422e+05 2024-05-10 02:27:19,098 INFO [main.py:798]
{rank 0/64} MD step = 427300 step time: 00:00:00.338470 Performance: 36.499 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 02:27:25,515 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 427300 85460 160 8381.1 17537 -9155.6 -9155.6 21.833 21.806 10.091 1.9426e+05 2024-05-10 02:28:00,916 INFO [main.py:798]
{rank 0/64} MD step = 427400 step time: 00:00:00.358369 Performance: 36.500 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 02:28:07,637 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 427400 85480 161.31 8465.2 17680 -9215.2 -9215.2 21.838 21.81 10.095 1.9428e+05 2024-05-10 02:28:43,664 INFO [main.py:798]
{rank 0/64} MD step = 427500 step time: 00:00:00.402690 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 02:28:56,173 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 427500 85500 159.38 8239.3 17468 -9228.4 -9228.4 21.843 21.814 10.098 1.9432e+05 2024-05-10 02:29:33,846 INFO [main.py:798]
{rank 0/64} MD step = 427600 step time: 00:00:00.382216 Performance: 36.500 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 02:29:42,047 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 427600 85520 161.63 8634.7 17715 -9080.3 -9080.3 21.847 21.82 10.1 1.9438e+05 2024-05-10 02:30:17,539 INFO [main.py:798]
{rank 0/64} MD step = 427700 step time: 00:00:00.389481 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 02:30:26,167 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 427700 85540 161.11 8497.5 17658 -9160.1 -9160.1 21.853 21.825 10.102 1.9444e+05 2024-05-10 02:31:06,029 INFO [main.py:798]
{rank 0/64} MD step = 427800 step time: 00:00:00.370486 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 02:31:12,340 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 427800 85560 159.21 8197.1 17450 -9252.7 -9252.7 21.859 21.831 10.105 1.9447e+05 2024-05-10 02:31:51,328 INFO [main.py:798]
{rank 0/64} MD step = 427900 step time: 00:00:00.357668 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 02:31:58,918 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 427900 85580 162.98 8632.1 17862 -9230.2 -9230.2 21.863 21.834 10.108 1.9448e+05 2024-05-10 02:32:33,564 INFO [main.py:798]
{rank 0/64} MD step = 428000 step time: 00:00:00.358164 Performance: 36.502 ns/day 0.657 hours/ns 2.112 steps/s 2024-05-10 02:32:41,619 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428000 85600 158.65 8167.8 17388 -9219.9 -9219.9 21.866 21.84 10.112 1.9455e+05 2024-05-10 02:33:21,477 INFO [main.py:798]
{rank 0/64} MD step = 428100 step time: 00:00:00.383183 Performance: 36.502 ns/day 0.657 hours/ns 2.112 steps/s 2024-05-10 02:33:34,363 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428100 85620 160.44 8360.5 17585 -9224.3 -9224.3 21.872 21.844 10.114 1.9465e+05 2024-05-10 02:34:11,216 INFO [main.py:798]
{rank 0/64} MD step = 428200 step time: 00:00:00.345892 Performance: 36.502 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 02:34:18,962 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428200 85640 161.26 8402.5 17675 -9272 -9272 21.877 21.85 10.118 1.9465e+05 2024-05-10 02:34:54,054 INFO [main.py:798]
{rank 0/64} MD step = 428300 step time: 00:00:00.347927 Performance: 36.502 ns/day 0.657 hours/ns 2.112 steps/s 2024-05-10 02:35:00,999 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428300 85660 158.68 8129.4 17391 -9261.9 -9261.9 21.882 21.856 10.12 1.9469e+05 2024-05-10 02:35:39,623 INFO [main.py:798]
{rank 0/64} MD step = 428400 step time: 00:00:00.393922 Performance: 36.503 ns/day 0.657 hours/ns 2.112 steps/s 2024-05-10 02:35:45,402 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428400 85680 164.73 8740.2 18055 -9314.6 -9314.6 21.887 21.861 10.122 1.9473e+05 2024-05-10 02:36:23,548 INFO [main.py:798]
{rank 0/64} MD step = 428500 step time: 00:00:00.359469 Performance: 36.503 ns/day 0.657 hours/ns 2.112 steps/s 2024-05-10 02:36:30,315 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428500 85700 158.11 8025.1 17329 -9304.4 -9304.4 21.895 21.867 10.124 1.948e+05 2024-05-10 02:37:08,773 INFO [main.py:798]
{rank 0/64} MD step = 428600 step time: 00:00:00.335145 Performance: 36.504 ns/day 0.657 hours/ns 2.112 steps/s 2024-05-10 02:37:20,680 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428600 85720 162.26 8588.3 17784 -9195.8 -9195.8 21.898 21.873 10.126 1.9487e+05 2024-05-10 02:37:56,565 INFO [main.py:798]
{rank 0/64} MD step = 428700 step time: 00:00:00.398195 Performance: 36.504 ns/day 0.657 hours/ns 2.112 steps/s 2024-05-10 02:38:03,614 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428700 85740 160.99 8398.2 17645 -9247 -9247 21.905 21.878 10.128 1.9493e+05 2024-05-10 02:38:38,312 INFO [main.py:798]
{rank 0/64} MD step = 428800 step time: 00:00:00.342197 Performance: 36.505 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 02:38:45,937 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428800 85760 161.12 8406.9 17659 -9251.8 -9251.8 21.91 21.884 10.132 1.9497e+05 2024-05-10 02:39:21,195 INFO [main.py:798]
{rank 0/64} MD step = 428900 step time: 00:00:00.360317 Performance: 36.505 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 02:39:33,715 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 428900 85780 157.74 8218.3 17289 -9070.2 -9070.2 21.916 21.889 10.135 1.9503e+05 2024-05-10 02:40:12,232 INFO [main.py:798]
{rank 0/64} MD step = 429000 step time: 00:00:00.374762 Performance: 36.505 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 02:40:19,116 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 429000 85800 157.39 8057.4 17250 -9192.4 -9192.4 21.921 21.895 10.136 1.9509e+05 2024-05-10 02:41:09,490 INFO [main.py:798]
{rank 0/64} MD step = 429100 step time: 00:00:00.342903 Performance: 36.503 ns/day 0.657 hours/ns 2.112 steps/s 2024-05-10 02:41:17,124 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 429100 85820 161.02 8406.8 17648 -9240.8 -9240.8 21.925 21.9 10.139 1.9515e+05 2024-05-10 02:41:53,619 INFO [main.py:798]
{rank 0/64} MD step = 429200 step time: 00:00:00.372709 Performance: 36.504 ns/day 0.657 hours/ns 2.112 steps/s 2024-05-10 02:42:01,056 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 429200 85840 158.43 8118.7 17364 -9245.8 -9245.8 21.93 21.906 10.14 1.9517e+05 2024-05-10 02:42:38,017 INFO [main.py:798]
{rank 0/64} MD step = 429300 step time: 00:00:00.334517 Performance: 36.504 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 02:42:43,253 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 429300 85860 159.94 8233.7 17530 -9296.1 -9296.1 21.936 21.914 10.141 1.952e+05 2024-05-10 02:43:20,067 INFO [main.py:798]
{rank 0/64} MD step = 429400 step time: 00:00:00.348846 Performance: 36.505 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 02:43:28,164 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 429400 85880 161.73 8573.7 17726 -9152.3 -9152.3 21.94 21.919 10.145 1.9526e+05 2024-05-10 02:44:04,819 INFO [main.py:798]
{rank 0/64} MD step = 429500 step time: 00:00:00.346989 Performance: 36.506 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 02:44:10,964 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 429500 85900 160.75 8377.8 17618 -9240.4 -9240.4 21.944 21.923 10.147 1.953e+05 2024-05-10 02:44:47,931 INFO [main.py:798]
{rank 0/64} MD step = 429600 step time: 00:00:00.358722 Performance: 36.506 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 02:44:56,162 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 429600 85920 158.78 8260.6 17402 -9141.7 -9141.7 21.949 21.926 10.15 1.9536e+05 2024-05-10 02:45:32,782 INFO [main.py:798]
{rank 0/64} MD step = 429700 step time: 00:00:00.382624 Performance: 36.507 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 02:45:39,622 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 429700 85940 160.71 8409.1 17615 -9205.4 -9205.4 21.953 21.932 10.152 1.9538e+05 2024-05-10 02:46:17,220 INFO [main.py:798]
{rank 0/64} MD step = 429800 step time: 00:00:00.377132 Performance: 36.507 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 02:46:26,056 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 429800 85960 158.58 8244.6 17380 -9135.5 -9135.5 21.957 21.939 10.153 1.9543e+05 2024-05-10 02:47:02,573 INFO [main.py:798]
{rank 0/64} MD step = 429900 step time: 00:00:00.395403 Performance: 36.508 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 02:47:09,924 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 429900 85980 161.11 8550.6 17658 -9107.1 -9107.1 21.961 21.944 10.156 1.9548e+05 2024-05-10 02:47:47,615 INFO [main.py:798]
{rank 0/64} MD step = 430000 step time: 00:00:00.339959 Performance: 36.508 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 02:47:54,492 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 430000 86000 159.01 8126.3 17428 -9301.3 -9301.3 21.967 21.951 10.157 1.9552e+05 2024-05-10 02:48:29,229 INFO [main.py:798]
{rank 0/64} MD step = 430100 step time: 00:00:00.354824 Performance: 36.509 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 02:48:38,050 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 430100 86020 158.45 8128.8 17367 -9238.1 -9238.1 21.971 21.956 10.161 1.9559e+05 2024-05-10 02:49:22,828 INFO [main.py:798]
{rank 0/64} MD step = 430200 step time: 00:00:00.391502 Performance: 36.508 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 02:49:31,138 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 430200 86040 162.16 8618.9 17773 -9154.2 -9154.2 21.977 21.959 10.161 1.9561e+05 2024-05-10 02:50:06,789 INFO [main.py:798]
{rank 0/64} MD step = 430300 step time: 00:00:00.384233 Performance: 36.509 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 02:50:14,592 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 430300 86060 159.63 8268.1 17496 -9227.6 -9227.6 21.984 21.965 10.163 1.9567e+05 2024-05-10 02:50:50,197 INFO [main.py:798]
{rank 0/64} MD step = 430400 step time: 00:00:00.368002 Performance: 36.509 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 02:50:56,629 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 430400 86080 160.39 8408.5 17579 -9170.6 -9170.6 21.988 21.969 10.167 1.9571e+05 2024-05-10 02:51:32,831 INFO [main.py:798]
{rank 0/64} MD step = 430500 step time: 00:00:00.384402 Performance: 36.510 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 02:51:40,570 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 430500 86100 160.37 8490.7 17577 -9086.3 -9086.3 21.992 21.974 10.17 1.9577e+05 2024-05-10 02:52:19,043 INFO [main.py:798]
{rank 0/64} MD step = 430600 step time: 00:00:00.342431 Performance: 36.510 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 02:52:25,990 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 430600 86120 162.48 8619.2 17808 -9189.1 -9189.1 21.996 21.98 10.173 1.9581e+05 2024-05-10 02:53:02,817 INFO [main.py:798]
{rank 0/64} MD step = 430700 step time: 00:00:00.342625 Performance: 36.511 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 02:53:14,030 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 430700 86140 160.88 8334 17633 -9298.8 -9298.8 22.002 21.988 10.176 1.9584e+05 2024-05-10 02:53:50,398 INFO [main.py:798]
{rank 0/64} MD step = 430800 step time: 00:00:00.332712 Performance: 36.511 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 02:54:00,333 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 430800 86160 160.92 8496.4 17637 -9140.7 -9140.7 22.006 21.996 10.179 1.9591e+05 2024-05-10 02:54:34,846 INFO [main.py:798]
{rank 0/64} MD step = 430900 step time: 00:00:00.374655 Performance: 36.511 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 02:54:44,458 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 430900 86180 161.53 8463 17704 -9241.5 -9241.5 22.013 22.001 10.182 1.9594e+05 2024-05-10 02:55:20,692 INFO [main.py:798]
{rank 0/64} MD step = 431000 step time: 00:00:00.368288 Performance: 36.512 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 02:55:31,250 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431000 86200 159.08 8217.4 17435 -9217.7 -9217.7 22.017 22.006 10.185 1.96e+05 2024-05-10 02:56:08,732 INFO [main.py:798]
{rank 0/64} MD step = 431100 step time: 00:00:00.405616 Performance: 36.512 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 02:56:17,986 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431100 86220 159.81 8226.7 17516 -9288.8 -9288.8 22.021 22.01 10.187 1.9605e+05 2024-05-10 02:56:55,190 INFO [main.py:798]
{rank 0/64} MD step = 431200 step time: 00:00:00.354509 Performance: 36.512 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 02:57:00,884 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431200 86240 162.24 8582.7 17781 -9198.5 -9198.5 22.026 22.016 10.191 1.9611e+05 2024-05-10 02:57:41,385 INFO [main.py:798]
{rank 0/64} MD step = 431300 step time: 00:00:00.376192 Performance: 36.512 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 02:57:49,325 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431300 86260 161.84 8433.8 17738 -9304.2 -9304.2 22.033 22.021 10.193 1.9612e+05 2024-05-10 02:58:24,078 INFO [main.py:798]
{rank 0/64} MD step = 431400 step time: 00:00:00.337982 Performance: 36.513 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 02:58:30,932 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431400 86280 163.86 8850.6 17959 -9108.7 -9108.7 22.037 22.024 10.197 1.962e+05 2024-05-10 02:59:09,046 INFO [main.py:798]
{rank 0/64} MD step = 431500 step time: 00:00:00.392182 Performance: 36.513 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 02:59:16,995 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431500 86300 162.93 8690 17858 -9167.5 -9167.5 22.042 22.028 10.201 1.9622e+05 2024-05-10 02:59:54,937 INFO [main.py:798]
{rank 0/64} MD step = 431600 step time: 00:00:00.438991 Performance: 36.513 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:00:03,413 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431600 86320 158.52 8194.5 17374 -9179.1 -9179.1 22.051 22.037 10.201 1.9627e+05 2024-05-10 03:00:42,629 INFO [main.py:798]
{rank 0/64} MD step = 431700 step time: 00:00:00.391632 Performance: 36.513 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:00:51,578 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431700 86340 162.01 8612.3 17757 -9144.3 -9144.3 22.056 22.043 10.202 1.9633e+05 2024-05-10 03:01:28,855 INFO [main.py:798]
{rank 0/64} MD step = 431800 step time: 00:00:00.381918 Performance: 36.514 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:01:39,250 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431800 86360 158.47 8088.7 17369 -9280 -9280 22.06 22.047 10.205 1.9636e+05 2024-05-10 03:02:17,925 INFO [main.py:798]
{rank 0/64} MD step = 431900 step time: 00:00:00.403448 Performance: 36.513 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:02:25,204 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 431900 86380 160.1 8266.8 17547 -9280.5 -9280.5 22.065 22.051 10.207 1.9639e+05 2024-05-10 03:03:03,476 INFO [main.py:798]
{rank 0/64} MD step = 432000 step time: 00:00:00.395672 Performance: 36.514 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:03:16,115 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 432000 86400 159.57 8294.1 17489 -9194.5 -9194.5 22.071 22.056 10.209 1.9644e+05 2024-05-10 03:03:54,726 INFO [main.py:798]
{rank 0/64} MD step = 432100 step time: 00:00:00.377938 Performance: 36.513 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:04:02,507 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 432100 86420 158.59 8315.2 17382 -9066.4 -9066.4 22.076 22.061 10.211 1.9644e+05 2024-05-10 03:04:37,846 INFO [main.py:798]
{rank 0/64} MD step = 432200 step time: 00:00:00.356059 Performance: 36.514 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:04:46,969 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 432200 86440 161.39 8442.2 17689 -9246.6 -9246.6 22.081 22.065 10.213 1.9651e+05 2024-05-10 03:05:23,193 INFO [main.py:798]
{rank 0/64} MD step = 432300 step time: 00:00:00.391507 Performance: 36.514 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:05:34,132 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 432300 86460 157.35 8008.6 17245 -9236.7 -9236.7 22.088 22.069 10.216 1.9655e+05 2024-05-10 03:06:13,131 INFO [main.py:798]
{rank 0/64} MD step = 432400 step time: 00:00:00.388145 Performance: 36.513 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:06:24,331 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 432400 86480 161.94 8412.8 17749 -9336.3 -9336.3 22.093 22.074 10.217 1.966e+05 2024-05-10 03:07:04,036 INFO [main.py:798]
{rank 0/64} MD step = 432500 step time: 00:00:00.383411 Performance: 36.513 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:07:10,482 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 432500 86500 160.94 8441.1 17639 -9197.8 -9197.8 22.096 22.077 10.22 1.9665e+05 2024-05-10 03:07:47,001 INFO [main.py:798]
{rank 0/64} MD step = 432600 step time: 00:00:00.387244 Performance: 36.514 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:07:55,737 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 432600 86520 161.43 8519 17693 -9174 -9174 22.102 22.082 10.223 1.967e+05 2024-05-10 03:08:33,996 INFO [main.py:798]
{rank 0/64} MD step = 432700 step time: 00:00:00.370834 Performance: 36.514 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:08:41,922 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 432700 86540 158.49 8080.2 17371 -9290.5 -9290.5 22.107 22.087 10.227 1.9671e+05 2024-05-10 03:09:21,139 INFO [main.py:798]
{rank 0/64} MD step = 432800 step time: 00:00:00.342120 Performance: 36.514 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:09:30,505 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 432800 86560 159.11 8192.7 17439 -9246 -9246 22.11 22.091 10.228 1.9679e+05 2024-05-10 03:10:09,473 INFO [main.py:798]
{rank 0/64} MD step = 432900 step time: 00:00:00.365181 Performance: 36.514 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:10:27,641 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 432900 86580 159.08 8304.3 17435 -9131.1 -9131.1 22.116 22.098 10.233 1.9683e+05 2024-05-10 03:11:06,910 INFO [main.py:798]
{rank 0/64} MD step = 433000 step time: 00:00:00.360073 Performance: 36.512 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:11:17,637 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 433000 86600 161.98 8588.4 17753 -9164.4 -9164.4 22.12 22.103 10.233 1.9692e+05 2024-05-10 03:11:57,348 INFO [main.py:798]
{rank 0/64} MD step = 433100 step time: 00:00:00.367117 Performance: 36.511 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:12:04,730 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 433100 86620 160.15 8360 17553 -9193.1 -9193.1 22.126 22.107 10.236 1.9696e+05 2024-05-10 03:12:44,045 INFO [main.py:798]
{rank 0/64} MD step = 433200 step time: 00:00:00.365211 Performance: 36.511 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:12:52,590 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 433200 86640 159.95 8278.4 17530 -9252 -9252 22.131 22.112 10.241 1.9695e+05 2024-05-10 03:13:31,660 INFO [main.py:798]
{rank 0/64} MD step = 433300 step time: 00:00:00.383492 Performance: 36.511 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:13:38,948 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 433300 86660 159.5 8315.9 17481 -9165.2 -9165.2 22.137 22.118 10.243 1.9701e+05 2024-05-10 03:14:17,464 INFO [main.py:798]
{rank 0/64} MD step = 433400 step time: 00:00:00.391661 Performance: 36.511 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:14:29,271 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 433400 86680 159.66 8286 17499 -9213.1 -9213.1 22.143 22.123 10.245 1.9707e+05 2024-05-10 03:15:05,784 INFO [main.py:798]
{rank 0/64} MD step = 433500 step time: 00:00:00.424582 Performance: 36.511 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:15:13,144 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 433500 86700 160.73 8447.6 17616 -9168.6 -9168.6 22.15 22.127 10.248 1.9716e+05 2024-05-10 03:15:51,460 INFO [main.py:798]
{rank 0/64} MD step = 433600 step time: 00:00:00.414391 Performance: 36.512 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:16:01,537 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 433600 86720 161.5 8404.2 17701 -9296.5 -9296.5 22.153 22.131 10.25 1.9715e+05 2024-05-10 03:16:40,788 INFO [main.py:798]
{rank 0/64} MD step = 433700 step time: 00:00:00.395402 Performance: 36.511 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:16:50,308 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 433700 86740 160.37 8326 17576 -9250.3 -9250.3 22.159 22.137 10.252 1.9718e+05 2024-05-10 03:17:29,036 INFO [main.py:798]
{rank 0/64} MD step = 433800 step time: 00:00:00.428567 Performance: 36.511 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:17:40,500 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 433800 86760 158.65 8053.7 17389 -9335 -9335 22.162 22.142 10.253 1.9722e+05 2024-05-10 03:18:18,481 INFO [main.py:798]
{rank 0/64} MD step = 433900 step time: 00:00:00.398701 Performance: 36.511 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:18:25,554 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 433900 86780 161.38 8599.9 17687 -9087.1 -9087.1 22.166 22.146 10.256 1.9725e+05 2024-05-10 03:19:03,742 INFO [main.py:798]
{rank 0/64} MD step = 434000 step time: 00:00:00.376032 Performance: 36.511 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:19:13,713 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 434000 86800 159.9 8394.8 17525 -9130.2 -9130.2 22.169 22.152 10.258 1.9729e+05 2024-05-10 03:19:52,003 INFO [main.py:798]
{rank 0/64} MD step = 434100 step time: 00:00:00.369518 Performance: 36.511 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:20:01,958 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 434100 86820 159.33 8258.1 17462 -9204.2 -9204.2 22.176 22.157 10.261 1.9736e+05 2024-05-10 03:20:40,930 INFO [main.py:798]
{rank 0/64} MD step = 434200 step time: 00:00:00.417045 Performance: 36.511 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:20:47,961 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 434200 86840 158.36 8211.7 17357 -9144.8 -9144.8 22.181 22.161 10.262 1.9739e+05 2024-05-10 03:21:26,224 INFO [main.py:798]
{rank 0/64} MD step = 434300 step time: 00:00:00.407181 Performance: 36.511 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:21:36,336 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 434300 86860 160.55 8308.7 17596 -9287.3 -9287.3 22.188 22.165 10.263 1.9741e+05 2024-05-10 03:22:14,222 INFO [main.py:798]
{rank 0/64} MD step = 434400 step time: 00:00:00.410345 Performance: 36.511 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:22:22,089 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 434400 86880 162.2 8605.8 17777 -9171.5 -9171.5 22.193 22.17 10.266 1.9748e+05 2024-05-10 03:23:01,107 INFO [main.py:798]
{rank 0/64} MD step = 434500 step time: 00:00:00.418422 Performance: 36.511 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:23:10,131 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 434500 86900 161.38 8454.8 17687 -9232.6 -9232.6 22.2 22.175 10.269 1.9752e+05 2024-05-10 03:23:47,358 INFO [main.py:798]
{rank 0/64} MD step = 434600 step time: 00:00:00.398715 Performance: 36.511 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:24:04,116 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 434600 86920 159.67 8269.1 17500 -9230.8 -9230.8 22.203 22.181 10.27 1.9755e+05 2024-05-10 03:24:41,638 INFO [main.py:798]
{rank 0/64} MD step = 434700 step time: 00:00:00.370434 Performance: 36.510 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:24:49,582 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 434700 86940 160.52 8462 17593 -9131.3 -9131.3 22.207 22.187 10.272 1.9764e+05 2024-05-10 03:25:29,260 INFO [main.py:798]
{rank 0/64} MD step = 434800 step time: 00:00:00.374585 Performance: 36.510 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:25:38,446 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 434800 86960 160.2 8415.9 17558 -9142.2 -9142.2 22.213 22.192 10.274 1.9769e+05 2024-05-10 03:26:18,587 INFO [main.py:798]
{rank 0/64} MD step = 434900 step time: 00:00:00.439261 Performance: 36.509 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:26:27,387 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 434900 86980 157.82 8164.2 17298 -9133.5 -9133.5 22.219 22.197 10.275 1.9772e+05 2024-05-10 03:27:05,036 INFO [main.py:798]
{rank 0/64} MD step = 435000 step time: 00:00:00.386502 Performance: 36.510 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:27:13,787 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435000 87000 160.15 8327.6 17553 -9225.2 -9225.2 22.224 22.201 10.277 1.9775e+05 2024-05-10 03:27:50,353 INFO [main.py:798]
{rank 0/64} MD step = 435100 step time: 00:00:00.399839 Performance: 36.510 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:27:58,607 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435100 87020 161.11 8435.4 17658 -9222.1 -9222.1 22.229 22.208 10.282 1.9779e+05 2024-05-10 03:28:37,908 INFO [main.py:798]
{rank 0/64} MD step = 435200 step time: 00:00:00.359777 Performance: 36.510 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:28:44,496 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435200 87040 159.96 8388.1 17532 -9144.2 -9144.2 22.234 22.217 10.287 1.9785e+05 2024-05-10 03:29:24,812 INFO [main.py:798]
{rank 0/64} MD step = 435300 step time: 00:00:00.357016 Performance: 36.510 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:29:37,790 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435300 87060 162.24 8622.7 17782 -9159.1 -9159.1 22.24 22.223 10.288 1.979e+05 2024-05-10 03:30:15,491 INFO [main.py:798]
{rank 0/64} MD step = 435400 step time: 00:00:00.385160 Performance: 36.509 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:30:22,468 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435400 87080 159.82 8276.9 17517 -9239.8 -9239.8 22.245 22.227 10.293 1.9793e+05 2024-05-10 03:31:00,544 INFO [main.py:798]
{rank 0/64} MD step = 435500 step time: 00:00:00.357071 Performance: 36.510 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:31:10,573 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435500 87100 158.88 8286.8 17414 -9127 -9127 22.251 22.232 10.294 1.9795e+05 2024-05-10 03:31:48,574 INFO [main.py:798]
{rank 0/64} MD step = 435600 step time: 00:00:00.402343 Performance: 36.510 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:32:02,502 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435600 87120 160.46 8421.5 17587 -9165.7 -9165.7 22.254 22.237 10.297 1.9803e+05 2024-05-10 03:32:41,394 INFO [main.py:798]
{rank 0/64} MD step = 435700 step time: 00:00:00.414557 Performance: 36.509 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:32:49,327 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435700 87140 159.75 8302.2 17509 -9206.6 -9206.6 22.258 22.241 10.3 1.9808e+05 2024-05-10 03:33:27,601 INFO [main.py:798]
{rank 0/64} MD step = 435800 step time: 00:00:00.407732 Performance: 36.509 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:33:34,813 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435800 87160 160.88 8470.6 17633 -9162.2 -9162.2 22.265 22.247 10.305 1.9814e+05 2024-05-10 03:34:12,126 INFO [main.py:798]
{rank 0/64} MD step = 435900 step time: 00:00:00.377570 Performance: 36.509 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:34:22,220 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 435900 87180 159.52 8273.4 17483 -9209.9 -9209.9 22.27 22.251 10.307 1.9816e+05 2024-05-10 03:35:00,403 INFO [main.py:798]
{rank 0/64} MD step = 436000 step time: 00:00:00.418941 Performance: 36.509 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:35:10,021 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 436000 87200 159.43 8291.7 17474 -9182.2 -9182.2 22.276 22.255 10.309 1.9823e+05 2024-05-10 03:35:50,591 INFO [main.py:798]
{rank 0/64} MD step = 436100 step time: 00:00:00.412382 Performance: 36.509 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:35:58,637 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 436100 87220 158.33 8225.1 17354 -9128.4 -9128.4 22.278 22.26 10.311 1.9826e+05 2024-05-10 03:36:37,311 INFO [main.py:798]
{rank 0/64} MD step = 436200 step time: 00:00:00.387457 Performance: 36.509 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:36:43,583 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 436200 87240 155.86 8024.4 17083 -9058.4 -9058.4 22.284 22.267 10.315 1.9832e+05 2024-05-10 03:37:22,213 INFO [main.py:798]
{rank 0/64} MD step = 436300 step time: 00:00:00.413391 Performance: 36.509 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:37:29,144 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 436300 87260 160.61 8482.8 17603 -9120.5 -9120.5 22.289 22.271 10.316 1.9838e+05 2024-05-10 03:38:07,434 INFO [main.py:798]
{rank 0/64} MD step = 436400 step time: 00:00:00.439801 Performance: 36.510 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:38:15,173 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 436400 87280 160.2 8380.6 17558 -9177.5 -9177.5 22.295 22.274 10.317 1.9843e+05 2024-05-10 03:38:54,122 INFO [main.py:798]
{rank 0/64} MD step = 436500 step time: 00:00:00.396659 Performance: 36.510 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:39:03,473 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 436500 87300 160.96 8413.6 17641 -9227.7 -9227.7 22.299 22.278 10.32 1.9846e+05 2024-05-10 03:39:43,006 INFO [main.py:798]
{rank 0/64} MD step = 436600 step time: 00:00:00.409329 Performance: 36.510 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:39:49,984 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 436600 87320 158.71 8213.7 17394 -9180.8 -9180.8 22.306 22.284 10.324 1.985e+05 2024-05-10 03:40:27,719 INFO [main.py:798]
{rank 0/64} MD step = 436700 step time: 00:00:00.408147 Performance: 36.510 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:40:35,344 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 436700 87340 159.29 8290.6 17459 -9168 -9168 22.312 22.291 10.327 1.9855e+05 2024-05-10 03:41:14,414 INFO [main.py:798]
{rank 0/64} MD step = 436800 step time: 00:00:00.433337 Performance: 36.510 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:41:20,511 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 436800 87360 161.57 8636.3 17708 -9071.9 -9071.9 22.319 22.295 10.33 1.986e+05 2024-05-10 03:41:59,842 INFO [main.py:798]
{rank 0/64} MD step = 436900 step time: 00:00:00.445400 Performance: 36.510 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:42:07,258 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 436900 87380 161.95 8445.7 17750 -9304.3 -9304.3 22.326 22.3 10.333 1.986e+05 2024-05-10 03:42:46,082 INFO [main.py:798]
{rank 0/64} MD step = 437000 step time: 00:00:00.399411 Performance: 36.511 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:42:53,165 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437000 87400 158.44 8201.7 17365 -9163.7 -9163.7 22.331 22.307 10.335 1.9867e+05 2024-05-10 03:43:31,587 INFO [main.py:798]
{rank 0/64} MD step = 437100 step time: 00:00:00.374095 Performance: 36.511 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:43:41,727 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437100 87420 162.45 8614.6 17804 -9189.8 -9189.8 22.335 22.311 10.337 1.9869e+05 2024-05-10 03:44:21,023 INFO [main.py:798]
{rank 0/64} MD step = 437200 step time: 00:00:00.378801 Performance: 36.511 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:44:27,779 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437200 87440 161.57 8453.5 17708 -9254.2 -9254.2 22.339 22.316 10.338 1.9877e+05 2024-05-10 03:45:07,694 INFO [main.py:798]
{rank 0/64} MD step = 437300 step time: 00:00:00.377985 Performance: 36.511 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:45:14,957 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437300 87460 160.31 8370.9 17570 -9198.7 -9198.7 22.342 22.32 10.339 1.9882e+05 2024-05-10 03:45:54,014 INFO [main.py:798]
{rank 0/64} MD step = 437400 step time: 00:00:00.365583 Performance: 36.511 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:46:00,294 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437400 87480 160.03 8304.1 17540 -9235.5 -9235.5 22.348 22.326 10.34 1.9883e+05 2024-05-10 03:46:39,141 INFO [main.py:798]
{rank 0/64} MD step = 437500 step time: 00:00:00.377568 Performance: 36.511 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:46:45,631 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437500 87500 159.13 8159.4 17441 -9281.7 -9281.7 22.351 22.332 10.342 1.9885e+05 2024-05-10 03:47:24,173 INFO [main.py:798]
{rank 0/64} MD step = 437600 step time: 00:00:00.385494 Performance: 36.512 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:47:33,880 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437600 87520 159.46 8260.9 17477 -9216.1 -9216.1 22.357 22.339 10.345 1.9891e+05 2024-05-10 03:48:12,396 INFO [main.py:798]
{rank 0/64} MD step = 437700 step time: 00:00:00.387854 Performance: 36.512 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:48:19,450 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437700 87540 162.04 8451.7 17759 -9307.6 -9307.6 22.36 22.343 10.346 1.9895e+05 2024-05-10 03:48:58,540 INFO [main.py:798]
{rank 0/64} MD step = 437800 step time: 00:00:00.400869 Performance: 36.512 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:49:05,476 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437800 87560 158.2 8070.7 17339 -9268.5 -9268.5 22.364 22.348 10.348 1.9897e+05 2024-05-10 03:49:43,878 INFO [main.py:798]
{rank 0/64} MD step = 437900 step time: 00:00:00.380312 Performance: 36.512 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:49:52,600 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 437900 87580 160.97 8344.1 17642 -9298.2 -9298.2 22.37 22.353 10.349 1.9902e+05 2024-05-10 03:50:30,024 INFO [main.py:798]
{rank 0/64} MD step = 438000 step time: 00:00:00.382674 Performance: 36.512 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:50:37,532 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438000 87600 161.05 8406.2 17651 -9245 -9245 22.377 22.357 10.353 1.9908e+05 2024-05-10 03:51:16,088 INFO [main.py:798]
{rank 0/64} MD step = 438100 step time: 00:00:00.363324 Performance: 36.512 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:51:22,971 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438100 87620 159.69 8334.9 17503 -9167.7 -9167.7 22.382 22.362 10.356 1.9912e+05 2024-05-10 03:52:02,550 INFO [main.py:798]
{rank 0/64} MD step = 438200 step time: 00:00:00.356726 Performance: 36.513 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:52:08,106 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438200 87640 158.54 8114.2 17376 -9261.5 -9261.5 22.387 22.366 10.358 1.9918e+05 2024-05-10 03:52:47,450 INFO [main.py:798]
{rank 0/64} MD step = 438300 step time: 00:00:00.371052 Performance: 36.513 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:52:52,475 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438300 87660 159.12 8218.4 17440 -9221.4 -9221.4 22.392 22.373 10.361 1.9916e+05 2024-05-10 03:53:32,917 INFO [main.py:798]
{rank 0/64} MD step = 438400 step time: 00:00:00.359678 Performance: 36.513 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:53:44,983 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438400 87680 160.84 8403.4 17629 -9225.4 -9225.4 22.397 22.379 10.363 1.9923e+05 2024-05-10 03:54:23,983 INFO [main.py:798]
{rank 0/64} MD step = 438500 step time: 00:00:00.357576 Performance: 36.513 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:54:35,437 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438500 87700 159 8229.8 17426 -9196.2 -9196.2 22.402 22.386 10.364 1.9926e+05 2024-05-10 03:55:14,240 INFO [main.py:798]
{rank 0/64} MD step = 438600 step time: 00:00:00.391250 Performance: 36.512 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:55:21,042 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438600 87720 161.71 8446.5 17724 -9277.5 -9277.5 22.407 22.39 10.368 1.993e+05 2024-05-10 03:55:59,270 INFO [main.py:798]
{rank 0/64} MD step = 438700 step time: 00:00:00.376252 Performance: 36.513 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:56:06,832 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438700 87740 160.02 8353.3 17538 -9185 -9185 22.411 22.396 10.369 1.9933e+05 2024-05-10 03:56:47,628 INFO [main.py:798]
{rank 0/64} MD step = 438800 step time: 00:00:00.349414 Performance: 36.512 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:56:51,566 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438800 87760 158.31 8110.2 17350 -9240.3 -9240.3 22.416 22.402 10.372 1.9938e+05 2024-05-10 03:57:32,102 INFO [main.py:798]
{rank 0/64} MD step = 438900 step time: 00:00:00.365812 Performance: 36.513 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:57:39,564 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 438900 87780 161.71 8465.1 17723 -9258.1 -9258.1 22.421 22.406 10.373 1.9939e+05 2024-05-10 03:58:20,105 INFO [main.py:798]
{rank 0/64} MD step = 439000 step time: 00:00:00.390981 Performance: 36.513 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:58:27,071 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439000 87800 159.72 8267.1 17506 -9238.8 -9238.8 22.427 22.408 10.376 1.9945e+05 2024-05-10 03:59:07,160 INFO [main.py:798]
{rank 0/64} MD step = 439100 step time: 00:00:00.390527 Performance: 36.513 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 03:59:18,440 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439100 87820 160.7 8429.8 17613 -9183.6 -9183.6 22.433 22.413 10.378 1.9949e+05 2024-05-10 03:59:58,250 INFO [main.py:798]
{rank 0/64} MD step = 439200 step time: 00:00:00.373353 Performance: 36.512 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:00:03,920 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439200 87840 160.23 8239.6 17562 -9322.3 -9322.3 22.438 22.417 10.382 1.9951e+05 2024-05-10 04:00:44,849 INFO [main.py:798]
{rank 0/64} MD step = 439300 step time: 00:00:00.378335 Performance: 36.512 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:00:52,456 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439300 87860 162.64 8731.9 17826 -9093.8 -9093.8 22.446 22.422 10.385 1.9957e+05 2024-05-10 04:01:30,918 INFO [main.py:798]
{rank 0/64} MD step = 439400 step time: 00:00:00.385488 Performance: 36.513 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:01:38,984 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439400 87880 160.66 8331 17609 -9277.6 -9277.6 22.451 22.427 10.387 1.9957e+05 2024-05-10 04:02:18,312 INFO [main.py:798]
{rank 0/64} MD step = 439500 step time: 00:00:00.399343 Performance: 36.513 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:02:26,891 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439500 87900 159.41 8323.1 17472 -9148.9 -9148.9 22.458 22.433 10.388 1.9961e+05 2024-05-10 04:03:05,141 INFO [main.py:798]
{rank 0/64} MD step = 439600 step time: 00:00:00.384732 Performance: 36.513 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:03:14,378 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439600 87920 159.54 8250.6 17485 -9234.8 -9234.8 22.463 22.437 10.389 1.9968e+05 2024-05-10 04:03:53,203 INFO [main.py:798]
{rank 0/64} MD step = 439700 step time: 00:00:00.388174 Performance: 36.513 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:03:59,629 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439700 87940 159.73 8271.2 17507 -9236 -9236 22.467 22.443 10.394 1.9971e+05 2024-05-10 04:04:38,184 INFO [main.py:798]
{rank 0/64} MD step = 439800 step time: 00:00:00.400193 Performance: 36.513 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:04:46,426 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439800 87960 160.27 8371.5 17566 -9194 -9194 22.474 22.449 10.395 1.9974e+05 2024-05-10 04:05:24,322 INFO [main.py:798]
{rank 0/64} MD step = 439900 step time: 00:00:00.407416 Performance: 36.513 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:05:32,357 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 439900 87980 163.32 8761.6 17900 -9138.8 -9138.8 22.48 22.455 10.399 1.9982e+05 2024-05-10 04:06:11,130 INFO [main.py:798]
{rank 0/64} MD step = 440000 step time: 00:00:00.383450 Performance: 36.513 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:06:19,312 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440000 88000 156.72 7961.5 17177 -9215.2 -9215.2 22.485 22.459 10.4 1.9985e+05 2024-05-10 04:06:58,050 INFO [main.py:798]
{rank 0/64} MD step = 440100 step time: 00:00:00.386199 Performance: 36.513 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:07:06,388 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440100 88020 158.15 8070.4 17333 -9262.9 -9262.9 22.489 22.466 10.403 1.9989e+05 2024-05-10 04:07:45,534 INFO [main.py:798]
{rank 0/64} MD step = 440200 step time: 00:00:00.393081 Performance: 36.513 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:07:54,238 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440200 88040 158.58 8235.5 17380 -9144.6 -9144.6 22.494 22.47 10.405 1.9997e+05 2024-05-10 04:08:33,602 INFO [main.py:798]
{rank 0/64} MD step = 440300 step time: 00:00:00.405571 Performance: 36.513 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:08:41,183 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440300 88060 158.94 8202.2 17420 -9218 -9218 22.499 22.475 10.407 2.0001e+05 2024-05-10 04:09:21,960 INFO [main.py:798]
{rank 0/64} MD step = 440400 step time: 00:00:00.392250 Performance: 36.513 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:09:29,704 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440400 88080 161.29 8508.7 17678 -9169.3 -9169.3 22.505 22.48 10.409 2.0005e+05 2024-05-10 04:10:08,900 INFO [main.py:798]
{rank 0/64} MD step = 440500 step time: 00:00:00.367003 Performance: 36.513 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:10:14,974 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440500 88100 158.64 8201.7 17387 -9185 -9185 22.511 22.486 10.413 2.0009e+05 2024-05-10 04:10:54,479 INFO [main.py:798]
{rank 0/64} MD step = 440600 step time: 00:00:00.402166 Performance: 36.513 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:11:02,676 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440600 88120 160.48 8364.5 17589 -9224.2 -9224.2 22.515 22.491 10.414 2.0012e+05 2024-05-10 04:11:41,900 INFO [main.py:798]
{rank 0/64} MD step = 440700 step time: 00:00:00.382044 Performance: 36.513 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:11:48,136 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440700 88140 158.8 8131.2 17404 -9273 -9273 22.518 22.495 10.416 2.0019e+05 2024-05-10 04:12:28,839 INFO [main.py:798]
{rank 0/64} MD step = 440800 step time: 00:00:00.379208 Performance: 36.513 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:12:36,301 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440800 88160 160.32 8370.9 17571 -9200.2 -9200.2 22.523 22.502 10.418 2.0023e+05 2024-05-10 04:13:15,313 INFO [main.py:798]
{rank 0/64} MD step = 440900 step time: 00:00:00.371394 Performance: 36.514 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:13:24,009 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 440900 88180 158.74 8153.6 17398 -9244.2 -9244.2 22.527 22.506 10.421 2.0025e+05 2024-05-10 04:14:02,893 INFO [main.py:798]
{rank 0/64} MD step = 441000 step time: 00:00:00.386445 Performance: 36.513 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:14:10,280 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 441000 88200 158.82 8138.5 17406 -9268 -9268 22.532 22.51 10.423 2.0028e+05 2024-05-10 04:14:49,077 INFO [main.py:798]
{rank 0/64} MD step = 441100 step time: 00:00:00.372368 Performance: 36.514 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:14:57,058 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 441100 88220 159.55 8404.5 17487 -9082.5 -9082.5 22.536 22.515 10.426 2.0034e+05 2024-05-10 04:15:37,634 INFO [main.py:798]
{rank 0/64} MD step = 441200 step time: 00:00:00.383293 Performance: 36.513 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:15:44,830 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 441200 88240 160.55 8331.3 17596 -9264.9 -9264.9 22.54 22.521 10.429 2.0042e+05 2024-05-10 04:16:23,943 INFO [main.py:798]
{rank 0/64} MD step = 441300 step time: 00:00:00.388022 Performance: 36.514 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:16:32,961 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 441300 88260 160 8308.6 17536 -9227.6 -9227.6 22.544 22.525 10.432 2.0046e+05 2024-05-10 04:17:10,143 INFO [main.py:798]
{rank 0/64} MD step = 441400 step time: 00:00:00.368573 Performance: 36.514 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:17:23,412 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 441400 88280 159.1 8246.9 17437 -9190.5 -9190.5 22.55 22.529 10.436 2.0052e+05 2024-05-10 04:18:01,025 INFO [main.py:798]
{rank 0/64} MD step = 441500 step time: 00:00:00.386691 Performance: 36.513 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:18:09,642 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 441500 88300 160.53 8296.8 17595 -9297.9 -9297.9 22.556 22.533 10.439 2.0051e+05 2024-05-10 04:18:48,887 INFO [main.py:798]
{rank 0/64} MD step = 441600 step time: 00:00:00.385817 Performance: 36.513 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:18:56,250 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 441600 88320 160.96 8442.7 17641 -9198.7 -9198.7 22.56 22.536 10.439 2.0055e+05 2024-05-10 04:19:35,056 INFO [main.py:798]
{rank 0/64} MD step = 441700 step time: 00:00:00.358561 Performance: 36.513 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:19:49,794 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 441700 88340 161.13 8370.3 17660 -9290.1 -9290.1 22.564 22.541 10.441 2.0058e+05 2024-05-10 04:20:28,647 INFO [main.py:798]
{rank 0/64} MD step = 441800 step time: 00:00:00.380778 Performance: 36.512 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:20:38,397 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 441800 88360 159.86 8385.1 17520 -9135.3 -9135.3 22.57 22.546 10.444 2.0063e+05 2024-05-10 04:21:17,708 INFO [main.py:798]
{rank 0/64} MD step = 441900 step time: 00:00:00.389242 Performance: 36.512 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:21:27,110 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 441900 88380 159.49 8297.4 17481 -9183.4 -9183.4 22.575 22.552 10.446 2.0067e+05 2024-05-10 04:22:07,726 INFO [main.py:798]
{rank 0/64} MD step = 442000 step time: 00:00:00.374127 Performance: 36.511 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:22:15,191 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 442000 88400 157.95 8097.3 17311 -9213.9 -9213.9 22.58 22.559 10.448 2.0072e+05 2024-05-10 04:22:53,472 INFO [main.py:798]
{rank 0/64} MD step = 442100 step time: 00:00:00.386135 Performance: 36.512 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:23:00,038 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 442100 88420 159.88 8384 17523 -9139.2 -9139.2 22.584 22.562 10.453 2.0078e+05 2024-05-10 04:23:38,972 INFO [main.py:798]
{rank 0/64} MD step = 442200 step time: 00:00:00.372598 Performance: 36.512 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:23:45,938 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 442200 88440 159.64 8347.1 17497 -9149.7 -9149.7 22.591 22.566 10.457 2.0083e+05 2024-05-10 04:24:29,626 INFO [main.py:798]
{rank 0/64} MD step = 442300 step time: 00:00:00.413701 Performance: 36.511 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:24:38,350 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 442300 88460 160.37 8504.1 17577 -9072.6 -9072.6 22.594 22.57 10.459 2.0087e+05 2024-05-10 04:25:17,927 INFO [main.py:798]
{rank 0/64} MD step = 442400 step time: 00:00:00.394350 Performance: 36.511 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:25:24,251 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 442400 88480 162.28 8650.4 17787 -9136.2 -9136.2 22.598 22.576 10.462 2.009e+05 2024-05-10 04:26:02,894 INFO [main.py:798]
{rank 0/64} MD step = 442500 step time: 00:00:00.370813 Performance: 36.512 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:26:10,795 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 442500 88500 160.45 8444.9 17586 -9140.8 -9140.8 22.602 22.582 10.465 2.0092e+05 2024-05-10 04:26:49,602 INFO [main.py:798]
{rank 0/64} MD step = 442600 step time: 00:00:00.391434 Performance: 36.512 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:26:59,662 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 442600 88520 158.76 8127.3 17400 -9272.7 -9272.7 22.606 22.587 10.466 2.0099e+05 2024-05-10 04:27:38,105 INFO [main.py:798]
{rank 0/64} MD step = 442700 step time: 00:00:00.390464 Performance: 36.512 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:27:46,642 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 442700 88540 159.2 8209.1 17448 -9239 -9239 22.611 22.592 10.467 2.0103e+05 2024-05-10 04:28:25,326 INFO [main.py:798]
{rank 0/64} MD step = 442800 step time: 00:00:00.414892 Performance: 36.512 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:28:34,052 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 442800 88560 158.43 8092.4 17364 -9271.3 -9271.3 22.616 22.598 10.469 2.011e+05 2024-05-10 04:29:12,552 INFO [main.py:798]
{rank 0/64} MD step = 442900 step time: 00:00:00.385355 Performance: 36.512 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:29:20,794 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 442900 88580 159.66 8202.1 17498 -9296.4 -9296.4 22.621 22.603 10.471 2.0114e+05 2024-05-10 04:30:00,199 INFO [main.py:798]
{rank 0/64} MD step = 443000 step time: 00:00:00.380645 Performance: 36.512 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:30:11,534 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443000 88600 159.41 8274.1 17471 -9197 -9197 22.626 22.608 10.473 2.0119e+05 2024-05-10 04:30:51,776 INFO [main.py:798]
{rank 0/64} MD step = 443100 step time: 00:00:00.372583 Performance: 36.511 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:30:59,598 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443100 88620 159.08 8175.2 17435 -9260.2 -9260.2 22.631 22.614 10.476 2.0123e+05 2024-05-10 04:31:41,139 INFO [main.py:798]
{rank 0/64} MD step = 443200 step time: 00:00:00.380196 Performance: 36.511 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:31:48,376 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443200 88640 159 8200.9 17426 -9225.3 -9225.3 22.636 22.62 10.477 2.0129e+05 2024-05-10 04:32:27,487 INFO [main.py:798]
{rank 0/64} MD step = 443300 step time: 00:00:00.383378 Performance: 36.511 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:32:33,652 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443300 88660 160.44 8540.7 17584 -9043.6 -9043.6 22.64 22.626 10.481 2.0134e+05 2024-05-10 04:33:13,419 INFO [main.py:798]
{rank 0/64} MD step = 443400 step time: 00:00:00.371114 Performance: 36.511 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:33:20,435 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443400 88680 160.28 8350.3 17566 -9216.1 -9216.1 22.645 22.632 10.48 2.0134e+05 2024-05-10 04:34:00,148 INFO [main.py:798]
{rank 0/64} MD step = 443500 step time: 00:00:00.404825 Performance: 36.511 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:34:06,608 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443500 88700 157.76 8036.6 17290 -9253.6 -9253.6 22.651 22.639 10.485 2.014e+05 2024-05-10 04:34:46,453 INFO [main.py:798]
{rank 0/64} MD step = 443600 step time: 00:00:00.399406 Performance: 36.511 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:34:55,092 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443600 88720 158.32 8106.4 17352 -9245.8 -9245.8 22.655 22.644 10.489 2.0147e+05 2024-05-10 04:35:33,822 INFO [main.py:798]
{rank 0/64} MD step = 443700 step time: 00:00:00.389990 Performance: 36.511 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:35:40,915 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443700 88740 157.69 8127.1 17283 -9155.7 -9155.7 22.659 22.65 10.49 2.0149e+05 2024-05-10 04:36:19,986 INFO [main.py:798]
{rank 0/64} MD step = 443800 step time: 00:00:00.380639 Performance: 36.511 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:36:27,104 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443800 88760 161.79 8557.8 17732 -9174.2 -9174.2 22.663 22.655 10.491 2.0154e+05 2024-05-10 04:37:06,855 INFO [main.py:798]
{rank 0/64} MD step = 443900 step time: 00:00:00.396033 Performance: 36.511 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:37:30,186 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 443900 88780 161.48 8392.7 17698 -9305.5 -9305.5 22.669 22.66 10.493 2.0161e+05 2024-05-10 04:38:08,864 INFO [main.py:798]
{rank 0/64} MD step = 444000 step time: 00:00:00.345464 Performance: 36.509 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:38:25,583 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444000 88800 160.91 8500.7 17636 -9135.2 -9135.2 22.675 22.663 10.496 2.0165e+05 2024-05-10 04:39:01,729 INFO [main.py:798]
{rank 0/64} MD step = 444100 step time: 00:00:00.381061 Performance: 36.508 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:39:09,917 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444100 88820 160.09 8341.1 17546 -9205.3 -9205.3 22.68 22.667 10.497 2.0168e+05 2024-05-10 04:39:51,968 INFO [main.py:798]
{rank 0/64} MD step = 444200 step time: 00:00:00.428285 Performance: 36.507 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:39:59,510 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444200 88840 158.35 8156.6 17356 -9199.1 -9199.1 22.685 22.672 10.498 2.0174e+05 2024-05-10 04:40:38,441 INFO [main.py:798]
{rank 0/64} MD step = 444300 step time: 00:00:00.397160 Performance: 36.508 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:40:45,126 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444300 88860 158.84 8110.9 17409 -9298 -9298 22.69 22.677 10.501 2.018e+05 2024-05-10 04:41:23,993 INFO [main.py:798]
{rank 0/64} MD step = 444400 step time: 00:00:00.407419 Performance: 36.508 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:41:31,979 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444400 88880 161.26 8605 17675 -9069.6 -9069.6 22.695 22.683 10.504 2.0185e+05 2024-05-10 04:42:09,204 INFO [main.py:798]
{rank 0/64} MD step = 444500 step time: 00:00:00.364997 Performance: 36.508 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:42:15,506 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444500 88900 158.88 8122.6 17413 -9290.4 -9290.4 22.702 22.689 10.507 2.0191e+05 2024-05-10 04:42:56,606 INFO [main.py:798]
{rank 0/64} MD step = 444600 step time: 00:00:00.385455 Performance: 36.508 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:43:03,710 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444600 88920 159.18 8310.6 17446 -9135.7 -9135.7 22.708 22.696 10.509 2.0199e+05 2024-05-10 04:43:41,439 INFO [main.py:798]
{rank 0/64} MD step = 444700 step time: 00:00:00.380243 Performance: 36.509 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:43:49,434 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444700 88940 161.83 8513.9 17737 -9222.7 -9222.7 22.714 22.702 10.513 2.0203e+05 2024-05-10 04:44:28,976 INFO [main.py:798]
{rank 0/64} MD step = 444800 step time: 00:00:00.382570 Performance: 36.509 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:44:45,095 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444800 88960 162.18 8568 17775 -9207.2 -9207.2 22.72 22.706 10.516 2.0206e+05 2024-05-10 04:45:23,645 INFO [main.py:798]
{rank 0/64} MD step = 444900 step time: 00:00:00.410962 Performance: 36.507 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:45:33,096 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 444900 88980 158.18 8140.7 17337 -9196.1 -9196.1 22.724 22.712 10.518 2.021e+05 2024-05-10 04:46:12,939 INFO [main.py:798]
{rank 0/64} MD step = 445000 step time: 00:00:00.405209 Performance: 36.507 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:46:19,914 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 445000 89000 160.26 8244.6 17565 -9320.4 -9320.4 22.73 22.716 10.519 2.0212e+05 2024-05-10 04:46:58,107 INFO [main.py:798]
{rank 0/64} MD step = 445100 step time: 00:00:00.406282 Performance: 36.507 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:47:05,223 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 445100 89020 159.7 8286.6 17504 -9217 -9217 22.734 22.722 10.521 2.0217e+05 2024-05-10 04:47:44,064 INFO [main.py:798]
{rank 0/64} MD step = 445200 step time: 00:00:00.382980 Performance: 36.508 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:47:51,904 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 445200 89040 162.25 8571.4 17783 -9211.8 -9211.8 22.738 22.729 10.523 2.0225e+05 2024-05-10 04:48:30,422 INFO [main.py:798]
{rank 0/64} MD step = 445300 step time: 00:00:00.392206 Performance: 36.508 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:48:38,120 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 445300 89060 158.83 8201 17408 -9207.4 -9207.4 22.741 22.734 10.526 2.023e+05 2024-05-10 04:49:16,155 INFO [main.py:798]
{rank 0/64} MD step = 445400 step time: 00:00:00.356603 Performance: 36.508 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:49:22,067 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 445400 89080 162.38 8576.7 17797 -9219.8 -9219.8 22.747 22.738 10.527 2.0235e+05 2024-05-10 04:50:01,832 INFO [main.py:798]
{rank 0/64} MD step = 445500 step time: 00:00:00.366415 Performance: 36.508 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:50:10,149 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 445500 89100 161.57 8461.7 17708 -9246.1 -9246.1 22.754 22.747 10.531 2.0238e+05 2024-05-10 04:50:49,516 INFO [main.py:798]
{rank 0/64} MD step = 445600 step time: 00:00:00.386128 Performance: 36.508 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:50:55,620 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 445600 89120 160.35 8358.5 17575 -9216.1 -9216.1 22.76 22.752 10.531 2.0242e+05 2024-05-10 04:51:36,789 INFO [main.py:798]
{rank 0/64} MD step = 445700 step time: 00:00:00.472723 Performance: 36.508 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:51:43,778 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 445700 89140 158.81 8279.2 17406 -9126.8 -9126.8 22.766 22.757 10.535 2.0249e+05 2024-05-10 04:52:23,353 INFO [main.py:798]
{rank 0/64} MD step = 445800 step time: 00:00:00.410839 Performance: 36.508 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:52:33,757 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 445800 89160 159.04 8229.7 17431 -9201.2 -9201.2 22.771 22.763 10.535 2.0251e+05 2024-05-10 04:53:12,198 INFO [main.py:798]
{rank 0/64} MD step = 445900 step time: 00:00:00.427800 Performance: 36.508 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:53:20,184 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 445900 89180 161.41 8604.6 17691 -9086.3 -9086.3 22.775 22.768 10.537 2.0258e+05 2024-05-10 04:53:59,247 INFO [main.py:798]
{rank 0/64} MD step = 446000 step time: 00:00:00.363536 Performance: 36.508 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:54:07,419 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446000 89200 159.57 8281.7 17489 -9207.6 -9207.6 22.781 22.774 10.542 2.0263e+05 2024-05-10 04:54:49,726 INFO [main.py:798]
{rank 0/64} MD step = 446100 step time: 00:00:00.373836 Performance: 36.508 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:54:58,246 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446100 89220 160.16 8270.8 17553 -9282.6 -9282.6 22.786 22.78 10.543 2.0267e+05 2024-05-10 04:55:36,486 INFO [main.py:798]
{rank 0/64} MD step = 446200 step time: 00:00:00.399555 Performance: 36.508 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:55:42,280 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446200 89240 159.03 8188.4 17430 -9241.4 -9241.4 22.791 22.784 10.546 2.027e+05 2024-05-10 04:56:22,494 INFO [main.py:798]
{rank 0/64} MD step = 446300 step time: 00:00:00.405903 Performance: 36.508 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:56:29,798 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446300 89260 162.06 8562.9 17762 -9198.9 -9198.9 22.796 22.788 10.55 2.0274e+05 2024-05-10 04:57:09,645 INFO [main.py:798]
{rank 0/64} MD step = 446400 step time: 00:00:00.403262 Performance: 36.508 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:57:16,412 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446400 89280 158.49 8319.6 17370 -9050.6 -9050.6 22.802 22.793 10.552 2.0281e+05 2024-05-10 04:57:54,964 INFO [main.py:798]
{rank 0/64} MD step = 446500 step time: 00:00:00.390961 Performance: 36.508 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:58:04,308 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446500 89300 160.38 8370.8 17577 -9206.7 -9206.7 22.807 22.799 10.557 2.0284e+05 2024-05-10 04:58:43,258 INFO [main.py:798]
{rank 0/64} MD step = 446600 step time: 00:00:00.406621 Performance: 36.508 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:58:49,894 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446600 89320 158.08 8199.3 17326 -9126.2 -9126.2 22.811 22.805 10.557 2.029e+05 2024-05-10 04:59:29,462 INFO [main.py:798]
{rank 0/64} MD step = 446700 step time: 00:00:00.436292 Performance: 36.508 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 04:59:38,474 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446700 89340 159.45 8211.9 17476 -9263.9 -9263.9 22.816 22.81 10.561 2.0293e+05 2024-05-10 05:00:19,063 INFO [main.py:798]
{rank 0/64} MD step = 446800 step time: 00:00:00.392364 Performance: 36.508 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 05:00:25,845 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446800 89360 160.39 8395.8 17579 -9183.7 -9183.7 22.821 22.815 10.565 2.0297e+05 2024-05-10 05:01:04,772 INFO [main.py:798]
{rank 0/64} MD step = 446900 step time: 00:00:00.380152 Performance: 36.508 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 05:01:12,879 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 446900 89380 159.44 8388.9 17475 -9086.3 -9086.3 22.826 22.819 10.568 2.0301e+05 2024-05-10 05:01:52,362 INFO [main.py:798]
{rank 0/64} MD step = 447000 step time: 00:00:00.373667 Performance: 36.508 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 05:01:59,756 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447000 89400 161.04 8459.7 17650 -9190.7 -9190.7 22.831 22.821 10.572 2.0306e+05 2024-05-10 05:02:38,850 INFO [main.py:798]
{rank 0/64} MD step = 447100 step time: 00:00:00.382717 Performance: 36.508 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 05:02:47,411 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447100 89420 160.44 8322.1 17585 -9262.8 -9262.8 22.836 22.825 10.573 2.0311e+05 2024-05-10 05:03:27,421 INFO [main.py:798]
{rank 0/64} MD step = 447200 step time: 00:00:00.380504 Performance: 36.508 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 05:03:43,299 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447200 89440 160.81 8471 17625 -9154.4 -9154.4 22.84 22.831 10.575 2.0314e+05 2024-05-10 05:04:23,679 INFO [main.py:798]
{rank 0/64} MD step = 447300 step time: 00:00:00.370270 Performance: 36.507 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 05:04:29,640 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447300 89460 161.78 8587.4 17732 -9144.3 -9144.3 22.843 22.836 10.578 2.0318e+05 2024-05-10 05:05:06,738 INFO [main.py:798]
{rank 0/64} MD step = 447400 step time: 00:00:00.368129 Performance: 36.507 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 05:05:14,492 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447400 89480 159.45 8296.8 17476 -9178.8 -9178.8 22.85 22.84 10.58 2.0323e+05 2024-05-10 05:05:54,164 INFO [main.py:798]
{rank 0/64} MD step = 447500 step time: 00:00:00.354586 Performance: 36.507 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 05:06:05,497 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447500 89500 160.33 8403 17572 -9169.1 -9169.1 22.853 22.844 10.584 2.0328e+05 2024-05-10 05:06:43,788 INFO [main.py:798]
{rank 0/64} MD step = 447600 step time: 00:00:00.362502 Performance: 36.507 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 05:06:58,269 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447600 89520 158.69 8191.6 17393 -9201.3 -9201.3 22.859 22.85 10.587 2.0332e+05 2024-05-10 05:07:37,839 INFO [main.py:798]
{rank 0/64} MD step = 447700 step time: 00:00:00.419212 Performance: 36.506 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 05:07:46,048 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447700 89540 161.82 8640.8 17735 -9094.5 -9094.5 22.862 22.856 10.591 2.0338e+05 2024-05-10 05:08:26,031 INFO [main.py:798]
{rank 0/64} MD step = 447800 step time: 00:00:00.425597 Performance: 36.506 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 05:08:33,409 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447800 89560 159.56 8346.1 17488 -9141.8 -9141.8 22.868 22.861 10.592 2.0341e+05 2024-05-10 05:09:11,400 INFO [main.py:798]
{rank 0/64} MD step = 447900 step time: 00:00:00.392286 Performance: 36.506 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 05:09:24,298 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 447900 89580 159.33 8195.6 17463 -9267.6 -9267.6 22.874 22.864 10.595 2.0342e+05 2024-05-10 05:10:03,062 INFO [main.py:798]
{rank 0/64} MD step = 448000 step time: 00:00:00.395320 Performance: 36.505 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 05:10:17,952 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 448000 89600 159.2 8240.4 17448 -9207.8 -9207.8 22.879 22.868 10.595 2.0346e+05 2024-05-10 05:10:55,695 INFO [main.py:798]
{rank 0/64} MD step = 448100 step time: 00:00:00.386150 Performance: 36.504 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 05:11:04,814 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 448100 89620 160.09 8427.7 17546 -9118 -9118 22.884 22.873 10.6 2.0355e+05 2024-05-10 05:11:43,145 INFO [main.py:798]
{rank 0/64} MD step = 448200 step time: 00:00:00.383155 Performance: 36.504 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 05:11:49,267 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 448200 89640 161.11 8388.3 17657 -9269.1 -9269.1 22.888 22.877 10.604 2.0356e+05 2024-05-10 05:12:28,014 INFO [main.py:798]
{rank 0/64} MD step = 448300 step time: 00:00:00.379151 Performance: 36.505 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 05:12:36,426 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 448300 89660 160.63 8386.4 17605 -9219 -9219 22.892 22.883 10.606 2.0362e+05 2024-05-10 05:13:15,423 INFO [main.py:798]
{rank 0/64} MD step = 448400 step time: 00:00:00.363797 Performance: 36.505 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 05:13:26,538 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 448400 89680 160.08 8432 17544 -9112.5 -9112.5 22.897 22.888 10.608 2.0366e+05 2024-05-10 05:14:06,603 INFO [main.py:798]
{rank 0/64} MD step = 448500 step time: 00:00:00.373868 Performance: 36.504 ns/day 0.657 hours/ns 2.113 steps/s 2024-05-10 05:14:16,872 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 448500 89700 159.2 8226.7 17448 -9221.4 -9221.4 22.902 22.891 10.611 2.0369e+05 2024-05-10 05:14:55,298 INFO [main.py:798]
{rank 0/64} MD step = 448600 step time: 00:00:00.347142 Performance: 36.504 ns/day 0.657 hours/ns 2.112 steps/s 2024-05-10 05:15:20,322 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 448600 89720 159.9 8394 17525 -9131.1 -9131.1 22.908 22.898 10.613 2.0373e+05 2024-05-10 05:15:58,023 INFO [main.py:798]
{rank 0/64} MD step = 448700 step time: 00:00:00.398553 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:16:11,825 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 448700 89740 158.75 8209.8 17399 -9189.3 -9189.3 22.912 22.903 10.615 2.0377e+05 2024-05-10 05:16:50,124 INFO [main.py:798]
{rank 0/64} MD step = 448800 step time: 00:00:00.369489 Performance: 36.500 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:16:56,060 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 448800 89760 160.31 8391.3 17570 -9178.9 -9178.9 22.918 22.912 10.618 2.0385e+05 2024-05-10 05:17:36,400 INFO [main.py:798]
{rank 0/64} MD step = 448900 step time: 00:00:00.388050 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:17:45,147 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 448900 89780 157.9 8099.2 17306 -9207.2 -9207.2 22.924 22.917 10.622 2.0385e+05 2024-05-10 05:18:24,090 INFO [main.py:798]
{rank 0/64} MD step = 449000 step time: 00:00:00.387762 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:18:32,031 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 449000 89800 157.03 7949 17210 -9261.2 -9261.2 22.927 22.922 10.623 2.0392e+05 2024-05-10 05:19:10,803 INFO [main.py:798]
{rank 0/64} MD step = 449100 step time: 00:00:00.396859 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:19:18,992 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 449100 89820 161.06 8523.7 17652 -9128.4 -9128.4 22.931 22.927 10.626 2.0396e+05 2024-05-10 05:19:59,428 INFO [main.py:798]
{rank 0/64} MD step = 449200 step time: 00:00:00.395355 Performance: 36.500 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:20:06,090 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 449200 89840 160.41 8356.7 17581 -9224.2 -9224.2 22.936 22.93 10.629 2.0396e+05 2024-05-10 05:20:46,539 INFO [main.py:798]
{rank 0/64} MD step = 449300 step time: 00:00:00.407302 Performance: 36.500 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:20:54,752 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 449300 89860 160.68 8408.8 17610 -9201.5 -9201.5 22.943 22.935 10.632 2.0401e+05 2024-05-10 05:21:32,898 INFO [main.py:798]
{rank 0/64} MD step = 449400 step time: 00:00:00.373964 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:21:40,479 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 449400 89880 160.95 8583.5 17640 -9056.4 -9056.4 22.948 22.941 10.633 2.0409e+05 2024-05-10 05:22:19,210 INFO [main.py:798]
{rank 0/64} MD step = 449500 step time: 00:00:00.369624 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:22:26,630 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 449500 89900 158.83 8141.7 17408 -9266.6 -9266.6 22.952 22.945 10.636 2.0412e+05 2024-05-10 05:23:08,837 INFO [main.py:798]
{rank 0/64} MD step = 449600 step time: 00:00:00.377352 Performance: 36.500 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:23:15,371 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 449600 89920 159.33 8135.5 17462 -9326.9 -9326.9 22.957 22.951 10.639 2.0417e+05 2024-05-10 05:23:54,040 INFO [main.py:798]
{rank 0/64} MD step = 449700 step time: 00:00:00.367677 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:24:05,589 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 449700 89940 159.41 8362.9 17471 -9108.5 -9108.5 22.96 22.955 10.64 2.0421e+05 2024-05-10 05:24:44,528 INFO [main.py:798]
{rank 0/64} MD step = 449800 step time: 00:00:00.386761 Performance: 36.500 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:24:52,571 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 449800 89960 160.25 8438.5 17563 -9125 -9125 22.967 22.959 10.642 2.0426e+05 2024-05-10 05:25:31,797 INFO [main.py:798]
{rank 0/64} MD step = 449900 step time: 00:00:00.387195 Performance: 36.500 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:25:39,902 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 449900 89980 158.81 8230.4 17406 -9175.4 -9175.4 22.97 22.964 10.643 2.0429e+05 2024-05-10 05:26:21,858 INFO [main.py:798]
{rank 0/64} MD step = 450000 step time: 00:00:00.406384 Performance: 36.500 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:26:33,594 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450000 90000 159.79 8215.1 17513 -9298 -9298 22.974 22.97 10.645 2.0432e+05 2024-05-10 05:27:11,925 INFO [main.py:798]
{rank 0/64} MD step = 450100 step time: 00:00:00.410197 Performance: 36.499 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:27:19,867 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450100 90020 159.32 8228.6 17461 -9232.7 -9232.7 22.979 22.974 10.647 2.0437e+05 2024-05-10 05:27:58,206 INFO [main.py:798]
{rank 0/64} MD step = 450200 step time: 00:00:00.389387 Performance: 36.500 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:28:05,336 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450200 90040 159.12 8202.8 17440 -9237 -9237 22.984 22.977 10.65 2.0444e+05 2024-05-10 05:28:44,879 INFO [main.py:798]
{rank 0/64} MD step = 450300 step time: 00:00:00.417069 Performance: 36.500 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:28:53,021 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450300 90060 161.49 8555.7 17699 -9143.3 -9143.3 22.988 22.982 10.652 2.0446e+05 2024-05-10 05:29:31,254 INFO [main.py:798]
{rank 0/64} MD step = 450400 step time: 00:00:00.393808 Performance: 36.500 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:29:38,671 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450400 90080 158.67 8199.4 17391 -9191.3 -9191.3 22.992 22.986 10.655 2.0453e+05 2024-05-10 05:30:17,925 INFO [main.py:798]
{rank 0/64} MD step = 450500 step time: 00:00:00.377154 Performance: 36.500 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:30:25,268 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450500 90100 160.95 8512.9 17640 -9127.1 -9127.1 22.998 22.992 10.659 2.0456e+05 2024-05-10 05:31:04,118 INFO [main.py:798]
{rank 0/64} MD step = 450600 step time: 00:00:00.422495 Performance: 36.500 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:31:11,596 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450600 90120 159.78 8326.7 17513 -9185.8 -9185.8 23 22.998 10.661 2.0462e+05 2024-05-10 05:31:50,026 INFO [main.py:798]
{rank 0/64} MD step = 450700 step time: 00:00:00.377956 Performance: 36.500 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:31:57,398 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450700 90140 162.14 8652.1 17771 -9119 -9119 23.004 23.002 10.664 2.0468e+05 2024-05-10 05:32:36,837 INFO [main.py:798]
{rank 0/64} MD step = 450800 step time: 00:00:00.443244 Performance: 36.500 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:32:44,803 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450800 90160 159.43 8191.5 17473 -9281.7 -9281.7 23.01 23.008 10.667 2.0469e+05 2024-05-10 05:33:25,138 INFO [main.py:798]
{rank 0/64} MD step = 450900 step time: 00:00:00.413787 Performance: 36.500 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:33:34,197 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 450900 90180 160.49 8368.1 17590 -9222.2 -9222.2 23.015 23.013 10.669 2.0475e+05 2024-05-10 05:34:12,738 INFO [main.py:798]
{rank 0/64} MD step = 451000 step time: 00:00:00.390733 Performance: 36.500 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:34:19,226 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 451000 90200 158.74 8229.1 17398 -9168.5 -9168.5 23.021 23.017 10.673 2.0478e+05 2024-05-10 05:34:57,935 INFO [main.py:798]
{rank 0/64} MD step = 451100 step time: 00:00:00.394802 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:35:05,866 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 451100 90220 161.55 8514 17706 -9191.9 -9191.9 23.026 23.022 10.676 2.0482e+05 2024-05-10 05:35:45,298 INFO [main.py:798]
{rank 0/64} MD step = 451200 step time: 00:00:00.378108 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:35:51,797 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 451200 90240 161.26 8425.3 17675 -9249.2 -9249.2 23.032 23.025 10.678 2.0488e+05 2024-05-10 05:36:30,918 INFO [main.py:798]
{rank 0/64} MD step = 451300 step time: 00:00:00.379682 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:36:39,175 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 451300 90260 159.31 8323.9 17460 -9136.5 -9136.5 23.037 23.03 10.681 2.0491e+05 2024-05-10 05:37:17,835 INFO [main.py:798]
{rank 0/64} MD step = 451400 step time: 00:00:00.377779 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:37:26,680 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 451400 90280 159.76 8276 17510 -9233.8 -9233.8 23.04 23.034 10.683 2.0497e+05 2024-05-10 05:38:05,925 INFO [main.py:798]
{rank 0/64} MD step = 451500 step time: 00:00:00.383276 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:38:15,209 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 451500 90300 161.27 8324 17675 -9351.1 -9351.1 23.047 23.04 10.687 2.0501e+05 2024-05-10 05:38:52,162 INFO [main.py:798]
{rank 0/64} MD step = 451600 step time: 00:00:00.370615 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:39:01,349 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 451600 90320 159.5 8363 17481 -9118.2 -9118.2 23.052 23.045 10.69 2.0505e+05 2024-05-10 05:39:40,593 INFO [main.py:798]
{rank 0/64} MD step = 451700 step time: 00:00:00.391554 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:39:47,779 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 451700 90340 157.97 8118.2 17313 -9195.1 -9195.1 23.056 23.05 10.691 2.0512e+05 2024-05-10 05:40:25,325 INFO [main.py:798]
{rank 0/64} MD step = 451800 step time: 00:00:00.385568 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:40:31,590 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 451800 90360 158.22 8049.6 17341 -9291.2 -9291.2 23.062 23.055 10.696 2.0515e+05 2024-05-10 05:41:12,405 INFO [main.py:798]
{rank 0/64} MD step = 451900 step time: 00:00:00.414835 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:41:19,031 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 451900 90380 160.26 8413.2 17564 -9151.1 -9151.1 23.067 23.06 10.696 2.0518e+05 2024-05-10 05:41:57,895 INFO [main.py:798]
{rank 0/64} MD step = 452000 step time: 00:00:00.404535 Performance: 36.502 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:42:03,819 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 452000 90400 158.12 8104.9 17330 -9225.2 -9225.2 23.069 23.065 10.697 2.0526e+05 2024-05-10 05:42:45,820 INFO [main.py:798]
{rank 0/64} MD step = 452100 step time: 00:00:00.402449 Performance: 36.502 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:42:54,372 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 452100 90420 159.61 8365.6 17493 -9127.7 -9127.7 23.072 23.07 10.701 2.0532e+05 2024-05-10 05:43:32,133 INFO [main.py:798]
{rank 0/64} MD step = 452200 step time: 00:00:00.401098 Performance: 36.502 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:43:38,795 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 452200 90440 160.47 8427.9 17588 -9160 -9160 23.078 23.075 10.702 2.054e+05 2024-05-10 05:44:17,115 INFO [main.py:798]
{rank 0/64} MD step = 452300 step time: 00:00:00.416035 Performance: 36.502 ns/day 0.657 hours/ns 2.112 steps/s 2024-05-10 05:44:24,621 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 452300 90460 160.72 8424.4 17615 -9190.7 -9190.7 23.082 23.08 10.705 2.0542e+05 2024-05-10 05:45:03,334 INFO [main.py:798]
{rank 0/64} MD step = 452400 step time: 00:00:00.361016 Performance: 36.502 ns/day 0.657 hours/ns 2.112 steps/s 2024-05-10 05:45:08,021 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 452400 90480 160.44 8374.8 17585 -9209.8 -9209.8 23.088 23.084 10.708 2.0544e+05 2024-05-10 05:45:49,121 INFO [main.py:798]
{rank 0/64} MD step = 452500 step time: 00:00:00.372592 Performance: 36.503 ns/day 0.657 hours/ns 2.112 steps/s 2024-05-10 05:45:55,502 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 452500 90500 159.76 8306.9 17510 -9203.5 -9203.5 23.094 23.09 10.71 2.0547e+05 2024-05-10 05:46:35,228 INFO [main.py:798]
{rank 0/64} MD step = 452600 step time: 00:00:00.347048 Performance: 36.503 ns/day 0.657 hours/ns 2.112 steps/s 2024-05-10 05:46:42,332 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 452600 90520 162.36 8593.8 17795 -9201.5 -9201.5 23.099 23.096 10.712 2.0554e+05 2024-05-10 05:47:21,116 INFO [main.py:798]
{rank 0/64} MD step = 452700 step time: 00:00:00.364117 Performance: 36.503 ns/day 0.657 hours/ns 2.112 steps/s 2024-05-10 05:47:41,179 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 452700 90540 160.91 8504.9 17636 -9131.4 -9131.4 23.105 23.101 10.713 2.0559e+05 2024-05-10 05:48:21,957 INFO [main.py:798]
{rank 0/64} MD step = 452800 step time: 00:00:00.400820 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:48:29,577 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 452800 90560 159.82 8314.1 17516 -9202.1 -9202.1 23.11 23.105 10.716 2.0565e+05 2024-05-10 05:49:07,832 INFO [main.py:798]
{rank 0/64} MD step = 452900 step time: 00:00:00.413144 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:49:14,717 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 452900 90580 161.12 8472.1 17659 -9187.3 -9187.3 23.114 23.111 10.719 2.0567e+05 2024-05-10 05:49:52,845 INFO [main.py:798]
{rank 0/64} MD step = 453000 step time: 00:00:00.386333 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:50:01,605 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453000 90600 159.88 8383.5 17523 -9139.5 -9139.5 23.118 23.118 10.722 2.0573e+05 2024-05-10 05:50:40,043 INFO [main.py:798]
{rank 0/64} MD step = 453100 step time: 00:00:00.416030 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:50:51,182 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453100 90620 160.37 8433.8 17576 -9142.6 -9142.6 23.123 23.123 10.725 2.0578e+05 2024-05-10 05:51:32,623 INFO [main.py:798]
{rank 0/64} MD step = 453200 step time: 00:00:00.507251 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:51:39,568 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453200 90640 158.21 8059.8 17339 -9279.7 -9279.7 23.127 23.128 10.728 2.058e+05 2024-05-10 05:52:18,929 INFO [main.py:798]
{rank 0/64} MD step = 453300 step time: 00:00:00.400878 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:52:28,968 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453300 90660 159.62 8267.9 17494 -9226.6 -9226.6 23.13 23.134 10.733 2.0589e+05 2024-05-10 05:53:07,327 INFO [main.py:798]
{rank 0/64} MD step = 453400 step time: 00:00:00.393951 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:53:12,486 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453400 90680 158.46 8218.5 17368 -9149.1 -9149.1 23.135 23.14 10.733 2.0593e+05 2024-05-10 05:53:51,697 INFO [main.py:798]
{rank 0/64} MD step = 453500 step time: 00:00:00.378538 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:53:59,707 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453500 90700 162.22 8461.7 17779 -9317.4 -9317.4 23.141 23.147 10.735 2.0596e+05 2024-05-10 05:54:39,806 INFO [main.py:798]
{rank 0/64} MD step = 453600 step time: 00:00:00.365373 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:54:47,601 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453600 90720 158.06 8141.9 17324 -9181.9 -9181.9 23.145 23.151 10.739 2.06e+05 2024-05-10 05:55:27,143 INFO [main.py:798]
{rank 0/64} MD step = 453700 step time: 00:00:00.363208 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:55:33,911 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453700 90740 162.69 8585.2 17831 -9245.8 -9245.8 23.153 23.154 10.741 2.0605e+05 2024-05-10 05:56:12,631 INFO [main.py:798]
{rank 0/64} MD step = 453800 step time: 00:00:00.374016 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:56:19,638 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453800 90760 158.95 8149.1 17421 -9271.8 -9271.8 23.159 23.161 10.741 2.061e+05 2024-05-10 05:56:59,865 INFO [main.py:798]
{rank 0/64} MD step = 453900 step time: 00:00:00.407647 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:57:08,546 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 453900 90780 161.13 8294.6 17660 -9365.3 -9365.3 23.164 23.166 10.745 2.0611e+05 2024-05-10 05:57:47,711 INFO [main.py:798]
{rank 0/64} MD step = 454000 step time: 00:00:00.372499 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:57:55,857 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 454000 90800 161.08 8432.5 17655 -9222.4 -9222.4 23.169 23.171 10.745 2.0617e+05 2024-05-10 05:58:34,952 INFO [main.py:798]
{rank 0/64} MD step = 454100 step time: 00:00:00.386138 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:58:45,303 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 454100 90820 160.39 8408.5 17579 -9170.2 -9170.2 23.174 23.177 10.747 2.0621e+05 2024-05-10 05:59:24,875 INFO [main.py:798]
{rank 0/64} MD step = 454200 step time: 00:00:00.357013 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 05:59:34,518 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 454200 90840 160.11 8466.4 17549 -9082.2 -9082.2 23.178 23.184 10.749 2.0624e+05 2024-05-10 06:00:12,583 INFO [main.py:798]
{rank 0/64} MD step = 454300 step time: 00:00:00.366698 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:00:20,464 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 454300 90860 160.79 8379.9 17623 -9242.9 -9242.9 23.184 23.189 10.747 2.0627e+05 2024-05-10 06:00:59,120 INFO [main.py:798]
{rank 0/64} MD step = 454400 step time: 00:00:00.364567 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:01:06,553 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 454400 90880 159.85 8180.9 17520 -9339.1 -9339.1 23.19 23.194 10.751 2.0628e+05 2024-05-10 06:01:45,388 INFO [main.py:798]
{rank 0/64} MD step = 454500 step time: 00:00:00.362698 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:01:53,843 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 454500 90900 158.77 8209.3 17402 -9192.6 -9192.6 23.196 23.199 10.751 2.0636e+05 2024-05-10 06:02:33,823 INFO [main.py:798]
{rank 0/64} MD step = 454600 step time: 00:00:00.382195 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:02:41,162 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 454600 90920 159.9 8359.2 17525 -9165.9 -9165.9 23.199 23.207 10.755 2.064e+05 2024-05-10 06:03:20,843 INFO [main.py:798]
{rank 0/64} MD step = 454700 step time: 00:00:00.346349 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:03:26,297 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 454700 90940 162.21 8580.3 17778 -9198.1 -9198.1 23.203 23.212 10.758 2.0644e+05 2024-05-10 06:04:05,565 INFO [main.py:798]
{rank 0/64} MD step = 454800 step time: 00:00:00.384605 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:04:13,420 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 454800 90960 158.49 8062.1 17371 -9308.6 -9308.6 23.209 23.217 10.761 2.0648e+05 2024-05-10 06:04:53,088 INFO [main.py:798]
{rank 0/64} MD step = 454900 step time: 00:00:00.352467 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:05:01,990 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 454900 90980 160.2 8327.6 17559 -9230.9 -9230.9 23.215 23.22 10.764 2.0654e+05 2024-05-10 06:05:41,723 INFO [main.py:798]
{rank 0/64} MD step = 455000 step time: 00:00:00.408078 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:05:51,555 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455000 91000 159.97 8403.3 17533 -9130 -9130 23.22 23.225 10.766 2.0659e+05 2024-05-10 06:06:30,661 INFO [main.py:798]
{rank 0/64} MD step = 455100 step time: 00:00:00.411887 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:06:41,345 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455100 91020 160.98 8302.5 17643 -9340.7 -9340.7 23.226 23.23 10.77 2.0662e+05 2024-05-10 06:07:19,887 INFO [main.py:798]
{rank 0/64} MD step = 455200 step time: 00:00:00.425126 Performance: 36.500 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:07:26,578 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455200 91040 159.15 8264.2 17443 -9178.9 -9178.9 23.229 23.234 10.772 2.067e+05 2024-05-10 06:08:05,540 INFO [main.py:798]
{rank 0/64} MD step = 455300 step time: 00:00:00.353338 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:08:16,401 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455300 91060 159.46 8277.1 17477 -9200 -9200 23.234 23.238 10.774 2.067e+05 2024-05-10 06:08:55,037 INFO [main.py:798]
{rank 0/64} MD step = 455400 step time: 00:00:00.365678 Performance: 36.500 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:09:01,623 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455400 91080 161.69 8524.6 17721 -9196.4 -9196.4 23.239 23.244 10.777 2.0677e+05 2024-05-10 06:09:39,260 INFO [main.py:798]
{rank 0/64} MD step = 455500 step time: 00:00:00.346521 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:09:47,035 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455500 91100 160.6 8484 17602 -9117.6 -9117.6 23.243 23.25 10.78 2.0682e+05 2024-05-10 06:10:26,150 INFO [main.py:798]
{rank 0/64} MD step = 455600 step time: 00:00:00.386969 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:10:33,640 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455600 91120 159.88 8317.9 17523 -9204.9 -9204.9 23.247 23.253 10.782 2.0687e+05 2024-05-10 06:11:12,248 INFO [main.py:798]
{rank 0/64} MD step = 455700 step time: 00:00:00.380770 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:11:24,734 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455700 91140 158.66 8188.6 17390 -9201.1 -9201.1 23.252 23.258 10.785 2.0691e+05 2024-05-10 06:12:03,274 INFO [main.py:798]
{rank 0/64} MD step = 455800 step time: 00:00:00.382045 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:12:11,052 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455800 91160 160.22 8312 17561 -9248.6 -9248.6 23.257 23.263 10.787 2.0694e+05 2024-05-10 06:12:50,921 INFO [main.py:798]
{rank 0/64} MD step = 455900 step time: 00:00:00.375781 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:12:57,911 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 455900 91180 158.21 8103.8 17340 -9236.5 -9236.5 23.262 23.268 10.79 2.07e+05 2024-05-10 06:13:37,118 INFO [main.py:798]
{rank 0/64} MD step = 456000 step time: 00:00:00.383372 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:13:45,045 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456000 91200 158.14 8049.8 17332 -9282 -9282 23.269 23.274 10.791 2.0704e+05 2024-05-10 06:14:24,326 INFO [main.py:798]
{rank 0/64} MD step = 456100 step time: 00:00:00.364414 Performance: 36.501 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:14:32,434 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456100 91220 156.97 7963.5 17204 -9240.4 -9240.4 23.273 23.28 10.794 2.0711e+05 2024-05-10 06:15:13,575 INFO [main.py:798]
{rank 0/64} MD step = 456200 step time: 00:00:00.391797 Performance: 36.500 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:15:27,429 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456200 91240 161.9 8512.9 17744 -9231 -9231 23.277 23.287 10.799 2.072e+05 2024-05-10 06:16:05,043 INFO [main.py:798]
{rank 0/64} MD step = 456300 step time: 00:00:00.377369 Performance: 36.500 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:16:12,540 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456300 91260 159.66 8162.6 17499 -9336.6 -9336.6 23.284 23.292 10.8 2.0719e+05 2024-05-10 06:16:51,416 INFO [main.py:798]
{rank 0/64} MD step = 456400 step time: 00:00:00.390893 Performance: 36.500 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:16:59,677 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456400 91280 158.47 8134.7 17368 -9233.6 -9233.6 23.29 23.297 10.804 2.0726e+05 2024-05-10 06:17:38,570 INFO [main.py:798]
{rank 0/64} MD step = 456500 step time: 00:00:00.354919 Performance: 36.500 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:17:49,239 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456500 91300 158.96 8169.9 17422 -9252.4 -9252.4 23.298 23.304 10.805 2.0728e+05 2024-05-10 06:18:27,157 INFO [main.py:798]
{rank 0/64} MD step = 456600 step time: 00:00:00.379928 Performance: 36.500 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:18:35,041 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456600 91320 159.16 8356.5 17444 -9087.1 -9087.1 23.301 23.311 10.808 2.0734e+05 2024-05-10 06:19:13,691 INFO [main.py:798]
{rank 0/64} MD step = 456700 step time: 00:00:00.394330 Performance: 36.500 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:19:23,315 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456700 91340 162.49 8638.2 17809 -9170.6 -9170.6 23.305 23.317 10.81 2.0739e+05 2024-05-10 06:20:01,166 INFO [main.py:798]
{rank 0/64} MD step = 456800 step time: 00:00:00.382738 Performance: 36.500 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:20:09,164 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456800 91360 159.88 8301.1 17523 -9221.8 -9221.8 23.311 23.323 10.812 2.0745e+05 2024-05-10 06:20:47,842 INFO [main.py:798]
{rank 0/64} MD step = 456900 step time: 00:00:00.356211 Performance: 36.500 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:20:56,656 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 456900 91380 158.82 8301.7 17406 -9104.7 -9104.7 23.316 23.328 10.815 2.0749e+05 2024-05-10 06:21:34,865 INFO [main.py:798]
{rank 0/64} MD step = 457000 step time: 00:00:00.376968 Performance: 36.500 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:21:47,685 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 457000 91400 157.06 8003.6 17214 -9210 -9210 23.32 23.336 10.817 2.0752e+05 2024-05-10 06:22:27,324 INFO [main.py:798]
{rank 0/64} MD step = 457100 step time: 00:00:00.366828 Performance: 36.499 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:22:36,966 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 457100 91420 160.13 8391.6 17551 -9159.4 -9159.4 23.323 23.341 10.819 2.0754e+05 2024-05-10 06:23:15,087 INFO [main.py:798]
{rank 0/64} MD step = 457200 step time: 00:00:00.342590 Performance: 36.499 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:23:22,528 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 457200 91440 160.95 8406.6 17640 -9233.6 -9233.6 23.327 23.345 10.82 2.0756e+05 2024-05-10 06:24:02,414 INFO [main.py:798]
{rank 0/64} MD step = 457300 step time: 00:00:00.359251 Performance: 36.499 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:24:09,924 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 457300 91460 159.65 8302.6 17497 -9194.8 -9194.8 23.333 23.351 10.822 2.0762e+05 2024-05-10 06:24:50,002 INFO [main.py:798]
{rank 0/64} MD step = 457400 step time: 00:00:00.387710 Performance: 36.499 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:25:03,271 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 457400 91480 160.51 8375.8 17592 -9215.9 -9215.9 23.337 23.355 10.823 2.0768e+05 2024-05-10 06:25:40,454 INFO [main.py:798]
{rank 0/64} MD step = 457500 step time: 00:00:00.373836 Performance: 36.498 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:25:49,033 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 457500 91500 159.14 8160.9 17442 -9280.8 -9280.8 23.341 23.36 10.828 2.0774e+05 2024-05-10 06:26:28,467 INFO [main.py:798]
{rank 0/64} MD step = 457600 step time: 00:00:00.410428 Performance: 36.498 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:26:38,498 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 457600 91520 158.54 8120.2 17376 -9255.9 -9255.9 23.347 23.363 10.83 2.0779e+05 2024-05-10 06:27:18,178 INFO [main.py:798]
{rank 0/64} MD step = 457700 step time: 00:00:00.364000 Performance: 36.498 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:27:28,811 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 457700 91540 160.1 8336.6 17548 -9211 -9211 23.352 23.369 10.832 2.0784e+05 2024-05-10 06:28:07,226 INFO [main.py:798]
{rank 0/64} MD step = 457800 step time: 00:00:00.383085 Performance: 36.498 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:28:16,401 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 457800 91560 159.09 8151.5 17436 -9284.6 -9284.6 23.358 23.374 10.833 2.0786e+05 2024-05-10 06:28:55,413 INFO [main.py:798]
{rank 0/64} MD step = 457900 step time: 00:00:00.364038 Performance: 36.498 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:29:05,117 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 457900 91580 158.68 8195.7 17392 -9196.2 -9196.2 23.363 23.377 10.837 2.0791e+05 2024-05-10 06:29:44,322 INFO [main.py:798]
{rank 0/64} MD step = 458000 step time: 00:00:00.350141 Performance: 36.497 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:29:52,628 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458000 91600 158.86 8318.5 17411 -9092.6 -9092.6 23.369 23.383 10.841 2.0799e+05 2024-05-10 06:30:30,765 INFO [main.py:798]
{rank 0/64} MD step = 458100 step time: 00:00:00.337407 Performance: 36.497 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:30:41,920 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458100 91620 160.21 8308 17560 -9251.6 -9251.6 23.376 23.39 10.843 2.0803e+05 2024-05-10 06:31:19,585 INFO [main.py:798]
{rank 0/64} MD step = 458200 step time: 00:00:00.385574 Performance: 36.497 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:31:35,621 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458200 91640 160.3 8387.7 17569 -9181 -9181 23.382 23.394 10.848 2.0807e+05 2024-05-10 06:32:15,169 INFO [main.py:798]
{rank 0/64} MD step = 458300 step time: 00:00:00.376113 Performance: 36.496 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:32:27,577 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458300 91660 161.1 8475.4 17657 -9181.8 -9181.8 23.386 23.401 10.852 2.0811e+05 2024-05-10 06:33:05,549 INFO [main.py:798]
{rank 0/64} MD step = 458400 step time: 00:00:00.353003 Performance: 36.495 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:33:15,316 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458400 91680 160.6 8429.6 17602 -9172.4 -9172.4 23.391 23.405 10.853 2.0813e+05 2024-05-10 06:33:55,890 INFO [main.py:798]
{rank 0/64} MD step = 458500 step time: 00:00:00.361123 Performance: 36.495 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:34:03,551 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458500 91700 160.98 8554.9 17644 -9088.6 -9088.6 23.398 23.411 10.855 2.0819e+05 2024-05-10 06:34:43,411 INFO [main.py:798]
{rank 0/64} MD step = 458600 step time: 00:00:00.366942 Performance: 36.495 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:34:50,635 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458600 91720 159.27 8283 17456 -9173.2 -9173.2 23.403 23.416 10.857 2.0824e+05 2024-05-10 06:35:29,551 INFO [main.py:798]
{rank 0/64} MD step = 458700 step time: 00:00:00.357166 Performance: 36.495 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:35:35,940 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458700 91740 160.77 8389.5 17621 -9231.3 -9231.3 23.409 23.421 10.859 2.0826e+05 2024-05-10 06:36:14,382 INFO [main.py:798]
{rank 0/64} MD step = 458800 step time: 00:00:00.345918 Performance: 36.495 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:36:24,057 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458800 91760 158.28 8226.6 17347 -9120.5 -9120.5 23.413 23.426 10.861 2.083e+05 2024-05-10 06:37:05,118 INFO [main.py:798]
{rank 0/64} MD step = 458900 step time: 00:00:00.389413 Performance: 36.495 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:37:13,808 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 458900 91780 158.48 8256.5 17370 -9113.4 -9113.4 23.416 23.431 10.861 2.0835e+05 2024-05-10 06:37:53,570 INFO [main.py:798]
{rank 0/64} MD step = 459000 step time: 00:00:00.369151 Performance: 36.495 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:38:02,661 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459000 91800 157.55 8102.3 17268 -9165.8 -9165.8 23.42 23.437 10.865 2.084e+05 2024-05-10 06:38:42,111 INFO [main.py:798]
{rank 0/64} MD step = 459100 step time: 00:00:00.379592 Performance: 36.494 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:38:50,048 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459100 91820 160 8270.7 17537 -9265.9 -9265.9 23.425 23.441 10.868 2.0844e+05 2024-05-10 06:39:30,828 INFO [main.py:798]
{rank 0/64} MD step = 459200 step time: 00:00:00.394225 Performance: 36.494 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:39:50,358 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459200 91840 160.8 8483.8 17624 -9140.3 -9140.3 23.43 23.446 10.87 2.0851e+05 2024-05-10 06:40:29,733 INFO [main.py:798]
{rank 0/64} MD step = 459300 step time: 00:00:00.371345 Performance: 36.492 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:40:37,856 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459300 91860 158.87 8300.5 17412 -9111.5 -9111.5 23.433 23.45 10.872 2.0857e+05 2024-05-10 06:41:16,857 INFO [main.py:798]
{rank 0/64} MD step = 459400 step time: 00:00:00.397104 Performance: 36.492 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:41:23,874 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459400 91880 162.85 8692.3 17848 -9156.1 -9156.1 23.437 23.455 10.874 2.0862e+05 2024-05-10 06:42:03,014 INFO [main.py:798]
{rank 0/64} MD step = 459500 step time: 00:00:00.390647 Performance: 36.493 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:42:11,269 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459500 91900 159.65 8196 17497 -9301.5 -9301.5 23.444 23.46 10.877 2.0871e+05 2024-05-10 06:42:49,787 INFO [main.py:798]
{rank 0/64} MD step = 459600 step time: 00:00:00.380215 Performance: 36.493 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:42:58,768 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459600 91920 157.21 8097.3 17230 -9133 -9133 23.447 23.466 10.878 2.0874e+05 2024-05-10 06:43:37,729 INFO [main.py:798]
{rank 0/64} MD step = 459700 step time: 00:00:00.389974 Performance: 36.493 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:43:45,779 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459700 91940 160.62 8411 17604 -9193.3 -9193.3 23.454 23.47 10.88 2.0875e+05 2024-05-10 06:44:27,501 INFO [main.py:798]
{rank 0/64} MD step = 459800 step time: 00:00:00.391672 Performance: 36.492 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:44:35,509 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459800 91960 162.41 8646.4 17800 -9153.8 -9153.8 23.46 23.476 10.883 2.0878e+05 2024-05-10 06:45:12,157 INFO [main.py:798]
{rank 0/64} MD step = 459900 step time: 00:00:00.365048 Performance: 36.493 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:45:24,907 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 459900 91980 161.46 8451.9 17697 -9244.8 -9244.8 23.464 23.479 10.886 2.0884e+05 2024-05-10 06:46:01,993 INFO [main.py:798]
{rank 0/64} MD step = 460000 step time: 00:00:00.389103 Performance: 36.492 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:46:17,375 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460000 92000 161.47 8469.3 17697 -9227.8 -9227.8 23.47 23.484 10.886 2.0887e+05 2024-05-10 06:46:56,368 INFO [main.py:798]
{rank 0/64} MD step = 460100 step time: 00:00:00.398134 Performance: 36.491 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:47:03,938 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460100 92020 155.95 7883.1 17092 -9209.4 -9209.4 23.476 23.49 10.889 2.089e+05 2024-05-10 06:47:42,312 INFO [main.py:798]
{rank 0/64} MD step = 460200 step time: 00:00:00.355687 Performance: 36.491 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:47:49,763 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460200 92040 159.15 8346.3 17443 -9096.7 -9096.7 23.482 23.497 10.892 2.0899e+05 2024-05-10 06:48:28,777 INFO [main.py:798]
{rank 0/64} MD step = 460300 step time: 00:00:00.355155 Performance: 36.491 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:48:34,330 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460300 92060 158.33 8186.3 17353 -9167.1 -9167.1 23.485 23.501 10.895 2.09e+05 2024-05-10 06:49:15,518 INFO [main.py:798]
{rank 0/64} MD step = 460400 step time: 00:00:00.358141 Performance: 36.491 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:49:25,219 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460400 92080 160.34 8371.8 17573 -9201.5 -9201.5 23.49 23.506 10.899 2.0903e+05 2024-05-10 06:50:04,867 INFO [main.py:798]
{rank 0/64} MD step = 460500 step time: 00:00:00.392099 Performance: 36.491 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:50:10,816 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460500 92100 158.54 8084.5 17377 -9292.2 -9292.2 23.493 23.511 10.901 2.0911e+05 2024-05-10 06:50:51,884 INFO [main.py:798]
{rank 0/64} MD step = 460600 step time: 00:00:00.387356 Performance: 36.491 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:51:02,755 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460600 92120 159.95 8238.4 17531 -9292.1 -9292.1 23.496 23.516 10.901 2.0914e+05 2024-05-10 06:51:41,451 INFO [main.py:798]
{rank 0/64} MD step = 460700 step time: 00:00:00.388607 Performance: 36.491 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:51:50,998 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460700 92140 162.72 8723 17834 -9111.5 -9111.5 23.504 23.522 10.903 2.0918e+05 2024-05-10 06:52:30,653 INFO [main.py:798]
{rank 0/64} MD step = 460800 step time: 00:00:00.393281 Performance: 36.490 ns/day 0.658 hours/ns 2.112 steps/s 2024-05-10 06:53:09,481 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460800 92160 158.07 8100.9 17324 -9223.2 -9223.2 23.509 23.527 10.905 2.0922e+05 2024-05-10 06:53:49,121 INFO [main.py:798]
{rank 0/64} MD step = 460900 step time: 00:00:00.498468 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 06:54:00,382 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 460900 92180 162.06 8583.4 17762 -9178.9 -9178.9 23.514 23.532 10.909 2.0926e+05 2024-05-10 06:54:39,016 INFO [main.py:798]
{rank 0/64} MD step = 461000 step time: 00:00:00.362996 Performance: 36.485 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 06:54:55,884 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461000 92200 161.3 8388.1 17679 -9290.6 -9290.6 23.52 23.538 10.911 2.093e+05 2024-05-10 06:55:35,269 INFO [main.py:798]
{rank 0/64} MD step = 461100 step time: 00:00:00.364098 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 06:55:44,298 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461100 92220 161.33 8451.5 17682 -9230.1 -9230.1 23.524 23.545 10.914 2.0936e+05 2024-05-10 06:56:24,640 INFO [main.py:798]
{rank 0/64} MD step = 461200 step time: 00:00:00.404515 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 06:56:33,792 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461200 92240 161.13 8574 17660 -9086.4 -9086.4 23.529 23.551 10.916 2.0941e+05 2024-05-10 06:57:10,800 INFO [main.py:798]
{rank 0/64} MD step = 461300 step time: 00:00:00.374573 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 06:57:20,184 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461300 92260 156.99 7949.6 17206 -9256.3 -9256.3 23.536 23.559 10.917 2.0944e+05 2024-05-10 06:58:00,405 INFO [main.py:798]
{rank 0/64} MD step = 461400 step time: 00:00:00.366928 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 06:58:06,303 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461400 92280 160.86 8506.5 17630 -9123.5 -9123.5 23.543 23.566 10.917 2.095e+05 2024-05-10 06:58:47,209 INFO [main.py:798]
{rank 0/64} MD step = 461500 step time: 00:00:00.417910 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 06:58:57,635 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461500 92300 159.42 8334.3 17473 -9138.5 -9138.5 23.549 23.571 10.919 2.0953e+05 2024-05-10 06:59:35,233 INFO [main.py:798]
{rank 0/64} MD step = 461600 step time: 00:00:00.387028 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 06:59:42,768 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461600 92320 160.87 8387.1 17632 -9244.6 -9244.6 23.554 23.577 10.921 2.096e+05 2024-05-10 07:00:21,496 INFO [main.py:798]
{rank 0/64} MD step = 461700 step time: 00:00:00.396164 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 07:00:29,674 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461700 92340 157.78 7985.1 17293 -9307.9 -9307.9 23.56 23.581 10.923 2.0962e+05 2024-05-10 07:01:09,095 INFO [main.py:798]
{rank 0/64} MD step = 461800 step time: 00:00:00.414489 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 07:01:16,982 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461800 92360 160.13 8357.5 17550 -9192.6 -9192.6 23.566 23.586 10.927 2.0965e+05 2024-05-10 07:01:55,003 INFO [main.py:798]
{rank 0/64} MD step = 461900 step time: 00:00:00.382306 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 07:02:04,911 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 461900 92380 159.43 8187 17473 -9286.5 -9286.5 23.569 23.592 10.929 2.0972e+05 2024-05-10 07:02:41,556 INFO [main.py:798]
{rank 0/64} MD step = 462000 step time: 00:00:00.402155 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 07:02:49,132 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462000 92400 160.33 8499.4 17573 -9073.2 -9073.2 23.576 23.596 10.931 2.0977e+05 2024-05-10 07:03:29,523 INFO [main.py:798]
{rank 0/64} MD step = 462100 step time: 00:00:00.401848 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 07:03:41,748 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462100 92420 158.5 8213.4 17372 -9158.4 -9158.4 23.581 23.602 10.934 2.0981e+05 2024-05-10 07:04:20,326 INFO [main.py:798]
{rank 0/64} MD step = 462200 step time: 00:00:00.390692 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 07:04:29,285 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462200 92440 160.94 8441.8 17639 -9197.6 -9197.6 23.586 23.607 10.936 2.0982e+05 2024-05-10 07:05:07,831 INFO [main.py:798]
{rank 0/64} MD step = 462300 step time: 00:00:00.406631 Performance: 36.483 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 07:05:17,819 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462300 92460 159.24 8365.7 17453 -9087.7 -9087.7 23.591 23.613 10.937 2.0988e+05 2024-05-10 07:05:56,921 INFO [main.py:798]
{rank 0/64} MD step = 462400 step time: 00:00:00.418104 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 07:06:06,176 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462400 92480 160.23 8323.5 17561 -9237.6 -9237.6 23.597 23.619 10.941 2.0994e+05 2024-05-10 07:06:46,791 INFO [main.py:798]
{rank 0/64} MD step = 462500 step time: 00:00:00.444079 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 07:06:55,929 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462500 92500 161.12 8402 17659 -9257.4 -9257.4 23.601 23.624 10.944 2.0996e+05 2024-05-10 07:07:34,715 INFO [main.py:798]
{rank 0/64} MD step = 462600 step time: 00:00:00.411220 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 07:07:43,361 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462600 92520 158.18 8159.5 17336 -9176.8 -9176.8 23.605 23.63 10.947 2.0998e+05 2024-05-10 07:08:21,647 INFO [main.py:798]
{rank 0/64} MD step = 462700 step time: 00:00:00.386961 Performance: 36.482 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 07:08:32,828 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462700 92540 162.26 8575.3 17783 -9208.1 -9208.1 23.61 23.634 10.95 2.1005e+05 2024-05-10 07:09:12,207 INFO [main.py:798]
{rank 0/64} MD step = 462800 step time: 00:00:00.415286 Performance: 36.481 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 07:09:19,517 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462800 92560 161.5 8534.4 17701 -9166.2 -9166.2 23.615 23.638 10.95 2.1011e+05 2024-05-10 07:10:00,913 INFO [main.py:798]
{rank 0/64} MD step = 462900 step time: 00:00:00.387440 Performance: 36.481 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 07:10:27,897 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 462900 92580 158.68 8165.8 17392 -9225.8 -9225.8 23.619 23.642 10.955 2.1013e+05 2024-05-10 07:11:05,549 INFO [main.py:798]
{rank 0/64} MD step = 463000 step time: 00:00:00.368635 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 07:11:11,876 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 463000 92600 157.49 8099.6 17262 -9162 -9162 23.625 23.646 10.958 2.1019e+05 2024-05-10 07:11:52,425 INFO [main.py:798]
{rank 0/64} MD step = 463100 step time: 00:00:00.384991 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 07:12:00,136 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 463100 92620 160.48 8547.3 17589 -9041.3 -9041.3 23.631 23.649 10.96 2.1023e+05 2024-05-10 07:12:38,532 INFO [main.py:798]
{rank 0/64} MD step = 463200 step time: 00:00:00.390869 Performance: 36.479 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 07:12:49,140 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 463200 92640 159.19 8300.8 17447 -9146.2 -9146.2 23.635 23.654 10.96 2.1026e+05 2024-05-10 07:13:25,257 INFO [main.py:798]
{rank 0/64} MD step = 463300 step time: 00:00:00.346437 Performance: 36.479 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 07:13:37,321 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 463300 92660 158.67 8235.1 17390 -9155 -9155 23.641 23.659 10.965 2.1031e+05 2024-05-10 07:14:17,554 INFO [main.py:798]
{rank 0/64} MD step = 463400 step time: 00:00:00.411714 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 07:14:55,904 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 463400 92680 157.53 8047.4 17265 -9217.9 -9217.9 23.646 23.666 10.967 2.1031e+05 2024-05-10 07:15:33,623 INFO [main.py:798]
{rank 0/64} MD step = 463500 step time: 00:00:00.383403 Performance: 36.473 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 07:15:42,407 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 463500 92700 162.57 8647.3 17818 -9170.7 -9170.7 23.65 23.67 10.969 2.1036e+05 2024-05-10 07:16:21,307 INFO [main.py:798]
{rank 0/64} MD step = 463600 step time: 00:00:00.374073 Performance: 36.473 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 07:16:28,757 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 463600 92720 162.44 8636.9 17804 -9167.3 -9167.3 23.654 23.673 10.97 2.1043e+05 2024-05-10 07:17:07,100 INFO [main.py:798]
{rank 0/64} MD step = 463700 step time: 00:00:00.398407 Performance: 36.473 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 07:17:25,714 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 463700 92740 158.18 8247 17337 -9089.6 -9089.6 23.659 23.679 10.973 2.1046e+05 2024-05-10 07:18:03,292 INFO [main.py:798]
{rank 0/64} MD step = 463800 step time: 00:00:00.390326 Performance: 36.472 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 07:18:09,078 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 463800 92760 159.38 8211.8 17468 -9256 -9256 23.667 23.685 10.977 2.1051e+05 2024-05-10 07:18:48,760 INFO [main.py:798]
{rank 0/64} MD step = 463900 step time: 00:00:00.399760 Performance: 36.472 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 07:19:00,553 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 463900 92780 159.35 8345.9 17465 -9118.9 -9118.9 23.671 23.69 10.978 2.1057e+05 2024-05-10 07:19:38,790 INFO [main.py:798]
{rank 0/64} MD step = 464000 step time: 00:00:00.387740 Performance: 36.472 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 07:19:47,740 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464000 92800 159.18 8198.3 17447 -9248.3 -9248.3 23.678 23.695 10.983 2.1061e+05 2024-05-10 07:20:26,420 INFO [main.py:798]
{rank 0/64} MD step = 464100 step time: 00:00:00.400345 Performance: 36.472 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 07:20:34,007 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464100 92820 158.54 8168.1 17376 -9207.7 -9207.7 23.683 23.7 10.984 2.1066e+05 2024-05-10 07:21:13,252 INFO [main.py:798]
{rank 0/64} MD step = 464200 step time: 00:00:00.401071 Performance: 36.472 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 07:21:21,261 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464200 92840 158.72 8218.4 17396 -9177.6 -9177.6 23.69 23.704 10.985 2.107e+05 2024-05-10 07:22:00,678 INFO [main.py:798]
{rank 0/64} MD step = 464300 step time: 00:00:00.351498 Performance: 36.472 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 07:22:09,239 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464300 92860 159.45 8288.7 17476 -9187 -9187 23.694 23.706 10.986 2.1073e+05 2024-05-10 07:22:47,679 INFO [main.py:798]
{rank 0/64} MD step = 464400 step time: 00:00:00.345915 Performance: 36.472 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 07:22:58,925 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464400 92880 158.39 8104.6 17360 -9255 -9255 23.699 23.712 10.99 2.1078e+05 2024-05-10 07:23:37,674 INFO [main.py:798]
{rank 0/64} MD step = 464500 step time: 00:00:00.368309 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 07:23:43,175 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464500 92900 160.34 8477.2 17573 -9096.1 -9096.1 23.705 23.716 10.993 2.1084e+05 2024-05-10 07:24:26,044 INFO [main.py:798]
{rank 0/64} MD step = 464600 step time: 00:00:00.358724 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 07:24:33,233 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464600 92920 160.42 8343.5 17583 -9239 -9239 23.71 23.719 10.996 2.1085e+05 2024-05-10 07:25:12,124 INFO [main.py:798]
{rank 0/64} MD step = 464700 step time: 00:00:00.397714 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 07:25:20,300 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464700 92940 160.33 8406.6 17572 -9165.7 -9165.7 23.714 23.725 11 2.1091e+05 2024-05-10 07:25:59,379 INFO [main.py:798]
{rank 0/64} MD step = 464800 step time: 00:00:00.411424 Performance: 36.472 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 07:26:18,318 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464800 92960 161.51 8586.8 17701 -9114.7 -9114.7 23.719 23.729 11.003 2.1092e+05 2024-05-10 07:26:52,669 INFO [main.py:798]
{rank 0/64} MD step = 464900 step time: 00:00:00.344501 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 07:27:04,814 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 464900 92980 161.65 8589.9 17717 -9127.3 -9127.3 23.726 23.735 11.005 2.11e+05 2024-05-10 07:27:44,576 INFO [main.py:798]
{rank 0/64} MD step = 465000 step time: 00:00:00.336220 Performance: 36.470 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 07:27:53,127 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465000 93000 160.29 8330.9 17568 -9237.5 -9237.5 23.73 23.74 11.009 2.1102e+05 2024-05-10 07:28:32,903 INFO [main.py:798]
{rank 0/64} MD step = 465100 step time: 00:00:00.359643 Performance: 36.470 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 07:28:43,270 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465100 93020 157.48 8061.8 17260 -9197.8 -9197.8 23.733 23.748 11.012 2.1107e+05 2024-05-10 07:29:22,266 INFO [main.py:798]
{rank 0/64} MD step = 465200 step time: 00:00:00.352221 Performance: 36.469 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:29:31,848 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465200 93040 162.38 8622.5 17797 -9174.5 -9174.5 23.739 23.751 11.015 2.1111e+05 2024-05-10 07:30:10,270 INFO [main.py:798]
{rank 0/64} MD step = 465300 step time: 00:00:00.359840 Performance: 36.469 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:30:18,982 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465300 93060 158.01 8010.4 17318 -9307.7 -9307.7 23.745 23.756 11.019 2.1112e+05 2024-05-10 07:30:58,785 INFO [main.py:798]
{rank 0/64} MD step = 465400 step time: 00:00:00.342823 Performance: 36.469 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:31:06,870 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465400 93080 156.29 7876.8 17129 -9252.5 -9252.5 23.748 23.761 11.021 2.1114e+05 2024-05-10 07:31:46,773 INFO [main.py:798]
{rank 0/64} MD step = 465500 step time: 00:00:00.402186 Performance: 36.469 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:31:53,993 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465500 93100 159.22 8167.2 17451 -9283.5 -9283.5 23.752 23.766 11.022 2.1121e+05 2024-05-10 07:32:33,495 INFO [main.py:798]
{rank 0/64} MD step = 465600 step time: 00:00:00.400449 Performance: 36.469 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:32:41,621 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465600 93120 162.11 8569.2 17767 -9198.2 -9198.2 23.758 23.773 11.025 2.1123e+05 2024-05-10 07:33:21,285 INFO [main.py:798]
{rank 0/64} MD step = 465700 step time: 00:00:00.379332 Performance: 36.469 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:33:30,541 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465700 93140 158.56 8261.1 17378 -9117.3 -9117.3 23.765 23.777 11.027 2.1129e+05 2024-05-10 07:34:07,675 INFO [main.py:798]
{rank 0/64} MD step = 465800 step time: 00:00:00.391827 Performance: 36.469 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:34:16,387 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465800 93160 156.96 7933.9 17203 -9269 -9269 23.769 23.782 11.026 2.1133e+05 2024-05-10 07:34:53,945 INFO [main.py:798]
{rank 0/64} MD step = 465900 step time: 00:00:00.398946 Performance: 36.469 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:35:12,744 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 465900 93180 157.76 8123.5 17291 -9167.1 -9167.1 23.773 23.789 11.026 2.1136e+05 2024-05-10 07:35:52,927 INFO [main.py:798]
{rank 0/64} MD step = 466000 step time: 00:00:00.423769 Performance: 36.467 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:36:01,833 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466000 93200 157.85 8094.4 17301 -9206.1 -9206.1 23.776 23.793 11.027 2.1139e+05 2024-05-10 07:36:40,149 INFO [main.py:798]
{rank 0/64} MD step = 466100 step time: 00:00:00.393880 Performance: 36.467 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:36:47,947 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466100 93220 159.65 8202 17498 -9296.2 -9296.2 23.78 23.799 11.03 2.114e+05 2024-05-10 07:37:25,790 INFO [main.py:798]
{rank 0/64} MD step = 466200 step time: 00:00:00.410573 Performance: 36.468 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:37:32,576 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466200 93240 157.69 8054.9 17283 -9228.1 -9228.1 23.786 23.804 11.032 2.1148e+05 2024-05-10 07:38:13,682 INFO [main.py:798]
{rank 0/64} MD step = 466300 step time: 00:00:00.410421 Performance: 36.468 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:38:22,189 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466300 93260 159.98 8340.3 17534 -9193.8 -9193.8 23.792 23.806 11.036 2.1153e+05 2024-05-10 07:38:57,716 INFO [main.py:798]
{rank 0/64} MD step = 466400 step time: 00:00:00.341953 Performance: 36.468 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:39:04,583 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466400 93280 162.09 8611.4 17765 -9153.5 -9153.5 23.797 23.812 11.038 2.1158e+05 2024-05-10 07:39:39,822 INFO [main.py:798]
{rank 0/64} MD step = 466500 step time: 00:00:00.331727 Performance: 36.469 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:40:11,136 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466500 93300 159.69 8276.5 17503 -9226.2 -9226.2 23.801 23.816 11.041 2.1161e+05 2024-05-10 07:40:45,666 INFO [main.py:798]
{rank 0/64} MD step = 466600 step time: 00:00:00.355495 Performance: 36.466 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:40:54,612 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466600 93320 160.39 8409.8 17578 -9168.7 -9168.7 23.804 23.82 11.043 2.1167e+05 2024-05-10 07:41:34,646 INFO [main.py:798]
{rank 0/64} MD step = 466700 step time: 00:00:00.412367 Performance: 36.466 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:41:48,462 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466700 93340 160.5 8406 17591 -9184.8 -9184.8 23.809 23.824 11.046 2.1168e+05 2024-05-10 07:42:25,997 INFO [main.py:798]
{rank 0/64} MD step = 466800 step time: 00:00:00.349486 Performance: 36.465 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:42:33,500 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466800 93360 158.26 8156.6 17346 -9189.5 -9189.5 23.815 23.829 11.049 2.1172e+05 2024-05-10 07:43:11,556 INFO [main.py:798]
{rank 0/64} MD step = 466900 step time: 00:00:00.382097 Performance: 36.465 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:43:20,114 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 466900 93380 162.91 8522.2 17855 -9333.3 -9333.3 23.82 23.835 11.052 2.118e+05 2024-05-10 07:43:59,479 INFO [main.py:798]
{rank 0/64} MD step = 467000 step time: 00:00:00.398525 Performance: 36.465 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:44:06,931 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467000 93400 160.32 8311.2 17571 -9259.9 -9259.9 23.823 23.84 11.053 2.1182e+05 2024-05-10 07:44:46,014 INFO [main.py:798]
{rank 0/64} MD step = 467100 step time: 00:00:00.401914 Performance: 36.465 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:44:54,650 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467100 93420 158.96 8235.5 17422 -9186.3 -9186.3 23.827 23.845 11.055 2.1187e+05 2024-05-10 07:45:33,847 INFO [main.py:798]
{rank 0/64} MD step = 467200 step time: 00:00:00.411867 Performance: 36.465 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:45:46,649 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467200 93440 159.4 8241.8 17471 -9229.1 -9229.1 23.832 23.851 11.058 2.1192e+05 2024-05-10 07:46:26,013 INFO [main.py:798]
{rank 0/64} MD step = 467300 step time: 00:00:00.420135 Performance: 36.465 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:46:33,330 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467300 93460 160.78 8331 17622 -9291.2 -9291.2 23.837 23.855 11.059 2.1196e+05 2024-05-10 07:47:12,383 INFO [main.py:798]
{rank 0/64} MD step = 467400 step time: 00:00:00.376974 Performance: 36.465 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:47:19,538 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467400 93480 157.01 8014.7 17208 -9193.4 -9193.4 23.844 23.861 11.062 2.1201e+05 2024-05-10 07:47:58,236 INFO [main.py:798]
{rank 0/64} MD step = 467500 step time: 00:00:00.374743 Performance: 36.465 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:48:04,712 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467500 93500 159.71 8284.4 17504 -9220 -9220 23.85 23.865 11.065 2.1206e+05 2024-05-10 07:48:46,472 INFO [main.py:798]
{rank 0/64} MD step = 467600 step time: 00:00:00.366972 Performance: 36.465 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:48:55,466 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467600 93520 158.89 8358.8 17414 -9055.6 -9055.6 23.855 23.87 11.068 2.121e+05 2024-05-10 07:49:32,880 INFO [main.py:798]
{rank 0/64} MD step = 467700 step time: 00:00:00.376073 Performance: 36.465 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:49:39,056 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467700 93540 157.46 7957.7 17258 -9300.1 -9300.1 23.863 23.876 11.069 2.1211e+05 2024-05-10 07:50:19,108 INFO [main.py:798]
{rank 0/64} MD step = 467800 step time: 00:00:00.414267 Performance: 36.465 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:50:28,250 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467800 93560 160.24 8425 17562 -9137.2 -9137.2 23.869 23.881 11.071 2.1217e+05 2024-05-10 07:51:04,914 INFO [main.py:798]
{rank 0/64} MD step = 467900 step time: 00:00:00.339812 Performance: 36.465 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:51:12,873 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 467900 93580 160.8 8425.5 17624 -9198.1 -9198.1 23.874 23.887 11.074 2.1221e+05 2024-05-10 07:51:47,467 INFO [main.py:798]
{rank 0/64} MD step = 468000 step time: 00:00:00.348140 Performance: 36.466 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:51:56,369 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 468000 93600 158.84 8276.6 17409 -9132.4 -9132.4 23.878 23.892 11.076 2.1228e+05 2024-05-10 07:52:36,183 INFO [main.py:798]
{rank 0/64} MD step = 468100 step time: 00:00:00.349902 Performance: 36.466 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:52:42,735 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 468100 93620 164.05 8776.8 17980 -9203.5 -9203.5 23.884 23.897 11.078 2.123e+05 2024-05-10 07:53:25,359 INFO [main.py:798]
{rank 0/64} MD step = 468200 step time: 00:00:00.394939 Performance: 36.466 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:53:33,855 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 468200 93640 162.34 8514.5 17793 -9278.3 -9278.3 23.89 23.898 11.078 2.1238e+05 2024-05-10 07:54:12,471 INFO [main.py:798]
{rank 0/64} MD step = 468300 step time: 00:00:00.407230 Performance: 36.466 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:54:19,820 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 468300 93660 159.29 8318.3 17458 -9140.1 -9140.1 23.895 23.905 11.081 2.1243e+05 2024-05-10 07:54:58,780 INFO [main.py:798]
{rank 0/64} MD step = 468400 step time: 00:00:00.422601 Performance: 36.466 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:55:07,035 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 468400 93680 161.87 8557 17741 -9183.7 -9183.7 23.9 23.91 11.082 2.1246e+05 2024-05-10 07:55:42,624 INFO [main.py:798]
{rank 0/64} MD step = 468500 step time: 00:00:00.358268 Performance: 36.467 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:55:49,419 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 468500 93700 157.55 8049.6 17267 -9217.6 -9217.6 23.906 23.916 11.087 2.1254e+05 2024-05-10 07:56:27,079 INFO [main.py:798]
{rank 0/64} MD step = 468600 step time: 00:00:00.393630 Performance: 36.467 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:56:33,983 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 468600 93720 160.66 8479.8 17609 -9129.2 -9129.2 23.911 23.92 11.089 2.1257e+05 2024-05-10 07:57:12,574 INFO [main.py:798]
{rank 0/64} MD step = 468700 step time: 00:00:00.382477 Performance: 36.467 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:57:25,002 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 468700 93740 161.66 8509.7 17718 -9208.5 -9208.5 23.917 23.925 11.095 2.1261e+05 2024-05-10 07:58:05,546 INFO [main.py:798]
{rank 0/64} MD step = 468800 step time: 00:00:00.402017 Performance: 36.466 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:58:18,642 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 468800 93760 161.47 8565.5 17697 -9131.9 -9131.9 23.923 23.931 11.097 2.1268e+05 2024-05-10 07:58:54,693 INFO [main.py:798]
{rank 0/64} MD step = 468900 step time: 00:00:00.347697 Performance: 36.466 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:59:02,800 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 468900 93780 160.38 8404.5 17578 -9173.8 -9173.8 23.929 23.936 11.101 2.1273e+05 2024-05-10 07:59:41,143 INFO [main.py:798]
{rank 0/64} MD step = 469000 step time: 00:00:00.373456 Performance: 36.466 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 07:59:48,135 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469000 93800 161.29 8397.2 17677 -9280.1 -9280.1 23.934 23.941 11.101 2.1272e+05 2024-05-10 08:00:27,984 INFO [main.py:798]
{rank 0/64} MD step = 469100 step time: 00:00:00.383960 Performance: 36.466 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:00:34,695 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469100 93820 161.16 8473.5 17663 -9190 -9190 23.938 23.946 11.104 2.128e+05 2024-05-10 08:01:10,639 INFO [main.py:798]
{rank 0/64} MD step = 469200 step time: 00:00:00.340399 Performance: 36.467 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:01:22,920 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469200 93840 157.61 8047.1 17274 -9227 -9227 23.941 23.952 11.107 2.1281e+05 2024-05-10 08:02:00,151 INFO [main.py:798]
{rank 0/64} MD step = 469300 step time: 00:00:00.352866 Performance: 36.467 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:02:09,238 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469300 93860 157.59 8002 17272 -9269.7 -9269.7 23.944 23.957 11.107 2.1285e+05 2024-05-10 08:02:48,730 INFO [main.py:798]
{rank 0/64} MD step = 469400 step time: 00:00:00.362062 Performance: 36.467 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:02:58,449 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469400 93880 160.31 8429 17570 -9141.2 -9141.2 23.949 23.959 11.106 2.129e+05 2024-05-10 08:03:38,479 INFO [main.py:798]
{rank 0/64} MD step = 469500 step time: 00:00:00.340808 Performance: 36.466 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:03:52,314 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469500 93900 159.53 8358.3 17485 -9126.5 -9126.5 23.953 23.964 11.107 2.1295e+05 2024-05-10 08:04:28,119 INFO [main.py:798]
{rank 0/64} MD step = 469600 step time: 00:00:00.363071 Performance: 36.466 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:04:38,537 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469600 93920 159.51 8381.7 17483 -9101 -9101 23.957 23.969 11.11 2.1299e+05 2024-05-10 08:05:19,585 INFO [main.py:798]
{rank 0/64} MD step = 469700 step time: 00:00:00.343524 Performance: 36.465 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:05:27,879 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469700 93940 160.55 8358.9 17597 -9238.1 -9238.1 23.963 23.975 11.111 2.1302e+05 2024-05-10 08:06:07,568 INFO [main.py:798]
{rank 0/64} MD step = 469800 step time: 00:00:00.413275 Performance: 36.465 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:06:14,887 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469800 93960 159.81 8235.4 17516 -9280.3 -9280.3 23.968 23.981 11.115 2.1308e+05 2024-05-10 08:06:53,330 INFO [main.py:798]
{rank 0/64} MD step = 469900 step time: 00:00:00.393887 Performance: 36.465 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:07:01,848 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 469900 93980 161.1 8360.7 17657 -9296.4 -9296.4 23.972 23.987 11.117 2.1309e+05 2024-05-10 08:07:40,869 INFO [main.py:798]
{rank 0/64} MD step = 470000 step time: 00:00:00.386325 Performance: 36.465 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:07:48,924 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470000 94000 158.94 8121.8 17420 -9298 -9298 23.978 23.992 11.12 2.1312e+05 2024-05-10 08:08:24,511 INFO [main.py:798]
{rank 0/64} MD step = 470100 step time: 00:00:00.367230 Performance: 36.466 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:08:31,172 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470100 94020 160.22 8331.9 17561 -9228.8 -9228.8 23.983 23.996 11.122 2.1316e+05 2024-05-10 08:09:10,989 INFO [main.py:798]
{rank 0/64} MD step = 470200 step time: 00:00:00.407552 Performance: 36.466 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:09:18,737 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470200 94040 159.03 8144 17430 -9285.7 -9285.7 23.99 24.001 11.124 2.1322e+05 2024-05-10 08:09:56,230 INFO [main.py:798]
{rank 0/64} MD step = 470300 step time: 00:00:00.375568 Performance: 36.466 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:10:05,722 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470300 94060 159.13 8240.7 17441 -9200.7 -9200.7 23.994 24.007 11.125 2.1329e+05 2024-05-10 08:10:44,742 INFO [main.py:798]
{rank 0/64} MD step = 470400 step time: 00:00:00.413225 Performance: 36.466 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:10:52,522 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470400 94080 159.08 8123.6 17435 -9311.8 -9311.8 24 24.013 11.128 2.1335e+05 2024-05-10 08:11:31,463 INFO [main.py:798]
{rank 0/64} MD step = 470500 step time: 00:00:00.350211 Performance: 36.466 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:11:37,636 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470500 94100 163.46 8695.3 17916 -9220.3 -9220.3 24.004 24.019 11.132 2.1338e+05 2024-05-10 08:12:14,766 INFO [main.py:798]
{rank 0/64} MD step = 470600 step time: 00:00:00.366633 Performance: 36.467 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:12:23,158 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470600 94120 159.04 8272.3 17431 -9158.9 -9158.9 24.009 24.024 11.134 2.1338e+05 2024-05-10 08:13:02,348 INFO [main.py:798]
{rank 0/64} MD step = 470700 step time: 00:00:00.387411 Performance: 36.467 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:13:09,564 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470700 94140 160.34 8391.5 17573 -9181.7 -9181.7 24.015 24.029 11.136 2.1346e+05 2024-05-10 08:13:49,379 INFO [main.py:798]
{rank 0/64} MD step = 470800 step time: 00:00:00.409168 Performance: 36.467 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:13:56,590 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470800 94160 159.42 8393.8 17472 -9078.7 -9078.7 24.021 24.034 11.139 2.1353e+05 2024-05-10 08:14:35,174 INFO [main.py:798]
{rank 0/64} MD step = 470900 step time: 00:00:00.399878 Performance: 36.467 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:14:41,176 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 470900 94180 160.48 8423.6 17588 -9164.9 -9164.9 24.025 24.041 11.141 2.1355e+05 2024-05-10 08:15:18,275 INFO [main.py:798]
{rank 0/64} MD step = 471000 step time: 00:00:00.386565 Performance: 36.468 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:15:25,244 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471000 94200 161.49 8574.8 17700 -9124.9 -9124.9 24.03 24.045 11.144 2.1359e+05 2024-05-10 08:16:04,730 INFO [main.py:798]
{rank 0/64} MD step = 471100 step time: 00:00:00.395159 Performance: 36.468 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:16:13,035 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471100 94220 159.44 8368.5 17475 -9106.5 -9106.5 24.034 24.048 11.144 2.1364e+05 2024-05-10 08:16:51,628 INFO [main.py:798]
{rank 0/64} MD step = 471200 step time: 00:00:00.387467 Performance: 36.468 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:17:02,566 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471200 94240 161.14 8426 17661 -9235.1 -9235.1 24.038 24.053 11.148 2.1365e+05 2024-05-10 08:17:40,459 INFO [main.py:798]
{rank 0/64} MD step = 471300 step time: 00:00:00.409428 Performance: 36.468 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:17:48,883 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471300 94260 158.93 8103.6 17419 -9315.1 -9315.1 24.042 24.056 11.149 2.1368e+05 2024-05-10 08:18:26,693 INFO [main.py:798]
{rank 0/64} MD step = 471400 step time: 00:00:00.418366 Performance: 36.468 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:18:33,803 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471400 94280 160.79 8487.1 17622 -9135.4 -9135.4 24.047 24.059 11.153 2.1374e+05 2024-05-10 08:19:12,430 INFO [main.py:798]
{rank 0/64} MD step = 471500 step time: 00:00:00.381492 Performance: 36.468 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:19:20,900 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471500 94300 157.65 8133.5 17278 -9144.7 -9144.7 24.053 24.064 11.156 2.1378e+05 2024-05-10 08:19:58,958 INFO [main.py:798]
{rank 0/64} MD step = 471600 step time: 00:00:00.385269 Performance: 36.469 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:20:06,554 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471600 94320 159 8237.7 17427 -9189.2 -9189.2 24.058 24.068 11.157 2.1382e+05 2024-05-10 08:20:44,413 INFO [main.py:798]
{rank 0/64} MD step = 471700 step time: 00:00:00.392258 Performance: 36.469 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:20:51,955 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471700 94340 159.89 8315.1 17524 -9209 -9209 24.062 24.073 11.159 2.1384e+05 2024-05-10 08:21:30,493 INFO [main.py:798]
{rank 0/64} MD step = 471800 step time: 00:00:00.364351 Performance: 36.469 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:21:37,163 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471800 94360 160.82 8441.8 17626 -9184.6 -9184.6 24.067 24.078 11.163 2.1394e+05 2024-05-10 08:22:15,927 INFO [main.py:798]
{rank 0/64} MD step = 471900 step time: 00:00:00.349467 Performance: 36.469 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 08:22:25,811 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 471900 94380 159.05 8317.7 17433 -9114.9 -9114.9 24.074 24.083 11.166 2.1394e+05 2024-05-10 08:23:04,179 INFO [main.py:798]
{rank 0/64} MD step = 472000 step time: 00:00:00.362176 Performance: 36.469 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:23:13,607 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 472000 94400 159 8190.3 17426 -9235.8 -9235.8 24.078 24.088 11.168 2.1398e+05 2024-05-10 08:23:52,902 INFO [main.py:798]
{rank 0/64} MD step = 472100 step time: 00:00:00.367308 Performance: 36.469 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:24:01,294 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 472100 94420 161.51 8422.2 17702 -9279.8 -9279.8 24.087 24.094 11.172 2.1402e+05 2024-05-10 08:24:40,727 INFO [main.py:798]
{rank 0/64} MD step = 472200 step time: 00:00:00.377546 Performance: 36.469 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:24:49,065 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 472200 94440 158.71 8136.7 17395 -9258.3 -9258.3 24.093 24.098 11.175 2.1406e+05 2024-05-10 08:25:29,781 INFO [main.py:798]
{rank 0/64} MD step = 472300 step time: 00:00:00.416637 Performance: 36.469 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:25:38,318 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 472300 94460 161.65 8481.5 17717 -9235.2 -9235.2 24.097 24.103 11.174 2.1413e+05 2024-05-10 08:26:14,231 INFO [main.py:798]
{rank 0/64} MD step = 472400 step time: 00:00:00.350179 Performance: 36.469 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:26:24,584 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 472400 94480 160.71 8378.9 17614 -9235.6 -9235.6 24.103 24.109 11.178 2.1415e+05 2024-05-10 08:27:02,960 INFO [main.py:798]
{rank 0/64} MD step = 472500 step time: 00:00:00.367086 Performance: 36.469 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:27:10,953 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 472500 94500 160.21 8464 17560 -9095.7 -9095.7 24.107 24.115 11.18 2.142e+05 2024-05-10 08:27:54,058 INFO [main.py:798]
{rank 0/64} MD step = 472600 step time: 00:00:00.360874 Performance: 36.468 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:28:04,051 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 472600 94520 159.49 8305.7 17480 -9174 -9174 24.111 24.121 11.183 2.1427e+05 2024-05-10 08:28:40,007 INFO [main.py:798]
{rank 0/64} MD step = 472700 step time: 00:00:00.334930 Performance: 36.469 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:28:52,156 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 472700 94540 158.08 8069.2 17326 -9256.4 -9256.4 24.115 24.126 11.185 2.1432e+05 2024-05-10 08:29:29,912 INFO [main.py:798]
{rank 0/64} MD step = 472800 step time: 00:00:00.363030 Performance: 36.468 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:29:36,593 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 472800 94560 158.14 8268.4 17332 -9063.4 -9063.4 24.122 24.131 11.188 2.1436e+05 2024-05-10 08:30:17,216 INFO [main.py:798]
{rank 0/64} MD step = 472900 step time: 00:00:00.366458 Performance: 36.468 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:30:25,726 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 472900 94580 160.71 8445.9 17614 -9167.7 -9167.7 24.125 24.136 11.19 2.1442e+05 2024-05-10 08:31:01,107 INFO [main.py:798]
{rank 0/64} MD step = 473000 step time: 00:00:00.333270 Performance: 36.469 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:31:09,288 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 473000 94600 161.09 8284 17656 -9371.8 -9371.8 24.129 24.142 11.192 2.1445e+05 2024-05-10 08:31:48,935 INFO [main.py:798]
{rank 0/64} MD step = 473100 step time: 00:00:00.376245 Performance: 36.469 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:31:59,454 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 473100 94620 162.61 8706.4 17822 -9116 -9116 24.133 24.147 11.193 2.145e+05 2024-05-10 08:32:37,034 INFO [main.py:798]
{rank 0/64} MD step = 473200 step time: 00:00:00.370620 Performance: 36.469 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:32:45,052 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 473200 94640 160.99 8347.7 17645 -9297.4 -9297.4 24.14 24.152 11.196 2.1454e+05 2024-05-10 08:33:21,068 INFO [main.py:798]
{rank 0/64} MD step = 473300 step time: 00:00:00.364059 Performance: 36.469 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:33:29,221 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 473300 94660 157.57 8151.3 17270 -9118.6 -9118.6 24.144 24.157 11.198 2.1459e+05 2024-05-10 08:34:04,876 INFO [main.py:798]
{rank 0/64} MD step = 473400 step time: 00:00:00.374941 Performance: 36.470 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 08:34:12,224 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 473400 94680 162.82 8683.8 17845 -9161.3 -9161.3 24.151 24.162 11.201 2.1464e+05 2024-05-10 08:34:49,157 INFO [main.py:798]
{rank 0/64} MD step = 473500 step time: 00:00:00.338345 Performance: 36.470 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 08:35:08,669 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 473500 94700 159.92 8329.1 17528 -9198.7 -9198.7 24.155 24.168 11.203 2.147e+05 2024-05-10 08:35:47,976 INFO [main.py:798]
{rank 0/64} MD step = 473600 step time: 00:00:00.374948 Performance: 36.468 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:35:56,803 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 473600 94720 159.43 8310.8 17474 -9162.9 -9162.9 24.161 24.173 11.205 2.1471e+05 2024-05-10 08:36:35,066 INFO [main.py:798]
{rank 0/64} MD step = 473700 step time: 00:00:00.393935 Performance: 36.468 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:36:42,707 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 473700 94740 160.33 8342.2 17572 -9229.8 -9229.8 24.165 24.179 11.206 2.1477e+05 2024-05-10 08:37:21,947 INFO [main.py:798]
{rank 0/64} MD step = 473800 step time: 00:00:00.405736 Performance: 36.469 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:37:31,422 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 473800 94760 161.7 8594 17722 -9128.4 -9128.4 24.171 24.184 11.209 2.1483e+05 2024-05-10 08:38:07,334 INFO [main.py:798]
{rank 0/64} MD step = 473900 step time: 00:00:00.371072 Performance: 36.469 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:38:19,229 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 473900 94780 160.03 8287.5 17540 -9252.4 -9252.4 24.177 24.188 11.208 2.1485e+05 2024-05-10 08:38:58,056 INFO [main.py:798]
{rank 0/64} MD step = 474000 step time: 00:00:00.347893 Performance: 36.468 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:39:06,045 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474000 94800 157.14 7921.5 17223 -9301.5 -9301.5 24.183 24.194 11.21 2.149e+05 2024-05-10 08:39:46,522 INFO [main.py:798]
{rank 0/64} MD step = 474100 step time: 00:00:00.385106 Performance: 36.468 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:40:06,698 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474100 94820 160.07 8374.9 17544 -9168.7 -9168.7 24.187 24.196 11.212 2.1497e+05 2024-05-10 08:40:44,488 INFO [main.py:798]
{rank 0/64} MD step = 474200 step time: 00:00:00.368684 Performance: 36.466 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:40:51,849 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474200 94840 161.46 8417.7 17696 -9278.6 -9278.6 24.194 24.203 11.214 2.1501e+05 2024-05-10 08:41:29,825 INFO [main.py:798]
{rank 0/64} MD step = 474300 step time: 00:00:00.364438 Performance: 36.467 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:41:39,733 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474300 94860 159.47 8139.9 17478 -9338.5 -9338.5 24.198 24.209 11.216 2.1505e+05 2024-05-10 08:42:19,697 INFO [main.py:798]
{rank 0/64} MD step = 474400 step time: 00:00:00.386783 Performance: 36.466 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:42:27,986 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474400 94880 161.45 8617.1 17695 -9077.6 -9077.6 24.203 24.214 11.22 2.1512e+05 2024-05-10 08:43:05,967 INFO [main.py:798]
{rank 0/64} MD step = 474500 step time: 00:00:00.375794 Performance: 36.467 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:43:13,095 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474500 94900 158.25 8144.4 17344 -9199.9 -9199.9 24.208 24.219 11.222 2.1514e+05 2024-05-10 08:43:52,181 INFO [main.py:798]
{rank 0/64} MD step = 474600 step time: 00:00:00.398381 Performance: 36.467 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:44:04,932 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474600 94920 161.42 8522.6 17692 -9168.9 -9168.9 24.213 24.225 11.225 2.152e+05 2024-05-10 08:44:42,519 INFO [main.py:798]
{rank 0/64} MD step = 474700 step time: 00:00:00.351192 Performance: 36.466 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:45:07,216 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474700 94940 160.65 8509.8 17607 -9097.4 -9097.4 24.218 24.231 11.225 2.1526e+05 2024-05-10 08:45:43,481 INFO [main.py:798]
{rank 0/64} MD step = 474800 step time: 00:00:00.348109 Performance: 36.464 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:45:55,981 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474800 94960 162.1 8497.9 17767 -9268.6 -9268.6 24.224 24.236 11.227 2.153e+05 2024-05-10 08:46:34,245 INFO [main.py:798]
{rank 0/64} MD step = 474900 step time: 00:00:00.400009 Performance: 36.463 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:46:44,266 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 474900 94980 159.29 8267.8 17459 -9190.8 -9190.8 24.229 24.241 11.23 2.1531e+05 2024-05-10 08:47:18,541 INFO [main.py:798]
{rank 0/64} MD step = 475000 step time: 00:00:00.348115 Performance: 36.464 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:47:25,946 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 475000 95000 160.1 8352.1 17547 -9195.3 -9195.3 24.234 24.247 11.232 2.1536e+05 2024-05-10 08:48:00,862 INFO [main.py:798]
{rank 0/64} MD step = 475100 step time: 00:00:00.361492 Performance: 36.465 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:48:07,839 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 475100 95020 158.72 8240.3 17396 -9156 -9156 24.238 24.252 11.234 2.1543e+05 2024-05-10 08:48:42,477 INFO [main.py:798]
{rank 0/64} MD step = 475200 step time: 00:00:00.339300 Performance: 36.466 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:48:50,458 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 475200 95040 158.18 8296.1 17337 -9040.8 -9040.8 24.243 24.257 11.237 2.1548e+05 2024-05-10 08:49:28,899 INFO [main.py:798]
{rank 0/64} MD step = 475300 step time: 00:00:00.375961 Performance: 36.466 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:49:43,636 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 475300 95060 160.24 8333.2 17563 -9229.4 -9229.4 24.25 24.263 11.241 2.1554e+05 2024-05-10 08:50:19,342 INFO [main.py:798]
{rank 0/64} MD step = 475400 step time: 00:00:00.412356 Performance: 36.465 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:50:26,535 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 475400 95080 161.04 8431.7 17650 -9218 -9218 24.255 24.268 11.242 2.1555e+05 2024-05-10 08:51:06,080 INFO [main.py:798]
{rank 0/64} MD step = 475500 step time: 00:00:00.421810 Performance: 36.466 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:51:13,772 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 475500 95100 161.05 8468.8 17651 -9182.3 -9182.3 24.259 24.273 11.243 2.1559e+05 2024-05-10 08:51:51,366 INFO [main.py:798]
{rank 0/64} MD step = 475600 step time: 00:00:00.343015 Performance: 36.466 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:51:59,787 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 475600 95120 156.83 8060.5 17189 -9128.2 -9128.2 24.264 24.277 11.246 2.1562e+05 2024-05-10 08:52:38,850 INFO [main.py:798]
{rank 0/64} MD step = 475700 step time: 00:00:00.353571 Performance: 36.466 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:52:45,102 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 475700 95140 160.69 8226.2 17612 -9385.4 -9385.4 24.269 24.281 11.249 2.1563e+05 2024-05-10 08:53:25,940 INFO [main.py:798]
{rank 0/64} MD step = 475800 step time: 00:00:00.357301 Performance: 36.466 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:53:32,816 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 475800 95160 161.35 8513.9 17684 -9169.7 -9169.7 24.274 24.286 11.25 2.157e+05 2024-05-10 08:54:11,672 INFO [main.py:798]
{rank 0/64} MD step = 475900 step time: 00:00:00.382062 Performance: 36.466 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:54:20,391 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 475900 95180 160.07 8397.8 17544 -9146 -9146 24.28 24.29 11.254 2.1574e+05 2024-05-10 08:54:57,841 INFO [main.py:798]
{rank 0/64} MD step = 476000 step time: 00:00:00.377655 Performance: 36.466 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:55:07,699 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476000 95200 160.11 8250 17549 -9298.5 -9298.5 24.284 24.295 11.259 2.158e+05 2024-05-10 08:55:47,821 INFO [main.py:798]
{rank 0/64} MD step = 476100 step time: 00:00:00.374790 Performance: 36.466 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:55:56,086 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476100 95220 160.3 8387 17569 -9181.5 -9181.5 24.289 24.301 11.261 2.1586e+05 2024-05-10 08:56:33,562 INFO [main.py:798]
{rank 0/64} MD step = 476200 step time: 00:00:00.398198 Performance: 36.466 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:56:51,385 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476200 95240 159.25 8238.2 17453 -9215.3 -9215.3 24.296 24.306 11.263 2.1593e+05 2024-05-10 08:57:27,178 INFO [main.py:798]
{rank 0/64} MD step = 476300 step time: 00:00:00.426758 Performance: 36.465 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:57:36,506 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476300 95260 161.37 8463.6 17686 -9222.9 -9222.9 24.302 24.313 11.265 2.1597e+05 2024-05-10 08:58:15,459 INFO [main.py:798]
{rank 0/64} MD step = 476400 step time: 00:00:00.402008 Performance: 36.465 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:58:21,166 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476400 95280 161.48 8445.6 17699 -9253.3 -9253.3 24.306 24.318 11.268 2.1602e+05 2024-05-10 08:59:00,185 INFO [main.py:798]
{rank 0/64} MD step = 476500 step time: 00:00:00.395598 Performance: 36.465 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:59:14,317 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476500 95300 160.58 8335.3 17599 -9264 -9264 24.311 24.323 11.27 2.1607e+05 2024-05-10 08:59:52,073 INFO [main.py:798]
{rank 0/64} MD step = 476600 step time: 00:00:00.390849 Performance: 36.465 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 08:59:58,387 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476600 95320 160.2 8393.3 17558 -9164.9 -9164.9 24.316 24.329 11.273 2.1613e+05 2024-05-10 09:00:39,295 INFO [main.py:798]
{rank 0/64} MD step = 476700 step time: 00:00:00.357679 Performance: 36.465 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:00:46,996 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476700 95340 160.66 8518.6 17609 -9090 -9090 24.322 24.335 11.276 2.1619e+05 2024-05-10 09:01:24,933 INFO [main.py:798]
{rank 0/64} MD step = 476800 step time: 00:00:00.365254 Performance: 36.465 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:01:35,021 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476800 95360 160.41 8324.3 17581 -9256.6 -9256.6 24.328 24.34 11.278 2.162e+05 2024-05-10 09:02:13,430 INFO [main.py:798]
{rank 0/64} MD step = 476900 step time: 00:00:00.366214 Performance: 36.465 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:02:25,694 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 476900 95380 162.99 8676.5 17864 -9187.8 -9187.8 24.332 24.347 11.28 2.1628e+05 2024-05-10 09:03:04,219 INFO [main.py:798]
{rank 0/64} MD step = 477000 step time: 00:00:00.384512 Performance: 36.464 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:03:12,613 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 477000 95400 159.56 8360 17488 -9127.5 -9127.5 24.338 24.353 11.285 2.1632e+05 2024-05-10 09:03:50,810 INFO [main.py:798]
{rank 0/64} MD step = 477100 step time: 00:00:00.358035 Performance: 36.464 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:03:58,447 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 477100 95420 161.08 8331.2 17655 -9323.8 -9323.8 24.344 24.359 11.287 2.1636e+05 2024-05-10 09:04:36,626 INFO [main.py:798]
{rank 0/64} MD step = 477200 step time: 00:00:00.387164 Performance: 36.465 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:04:47,372 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 477200 95440 160.49 8408.4 17590 -9182 -9182 24.348 24.363 11.288 2.1637e+05 2024-05-10 09:05:26,565 INFO [main.py:798]
{rank 0/64} MD step = 477300 step time: 00:00:00.370679 Performance: 36.464 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:05:34,437 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 477300 95460 160.87 8368.8 17632 -9262.9 -9262.9 24.355 24.369 11.289 2.1644e+05 2024-05-10 09:06:14,866 INFO [main.py:798]
{rank 0/64} MD step = 477400 step time: 00:00:00.361145 Performance: 36.464 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:06:22,606 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 477400 95480 159.55 8338.9 17487 -9147.7 -9147.7 24.361 24.376 11.291 2.1649e+05 2024-05-10 09:07:01,467 INFO [main.py:798]
{rank 0/64} MD step = 477500 step time: 00:00:00.366159 Performance: 36.464 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:07:09,549 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 477500 95500 160.45 8286.4 17586 -9299.5 -9299.5 24.368 24.382 11.295 2.1651e+05 2024-05-10 09:07:48,439 INFO [main.py:798]
{rank 0/64} MD step = 477600 step time: 00:00:00.363480 Performance: 36.464 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:07:56,843 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 477600 95520 160.51 8417.9 17592 -9174.1 -9174.1 24.373 24.387 11.297 2.1658e+05 2024-05-10 09:08:35,693 INFO [main.py:798]
{rank 0/64} MD step = 477700 step time: 00:00:00.373313 Performance: 36.464 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:08:46,654 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 477700 95540 158.71 8229.7 17395 -9165.2 -9165.2 24.378 24.395 11.301 2.1662e+05 2024-05-10 09:09:24,954 INFO [main.py:798]
{rank 0/64} MD step = 477800 step time: 00:00:00.391665 Performance: 36.464 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:09:42,477 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 477800 95560 160.62 8437.1 17604 -9167.3 -9167.3 24.381 24.399 11.304 2.1668e+05 2024-05-10 09:10:20,618 INFO [main.py:798]
{rank 0/64} MD step = 477900 step time: 00:00:00.398067 Performance: 36.463 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:10:29,439 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 477900 95580 163.63 8681.3 17934 -9252.9 -9252.9 24.384 24.406 11.306 2.167e+05 2024-05-10 09:11:06,967 INFO [main.py:798]
{rank 0/64} MD step = 478000 step time: 00:00:00.408557 Performance: 36.463 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:11:18,556 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478000 95600 158.8 8181.3 17404 -9223.1 -9223.1 24.388 24.412 11.305 2.1673e+05 2024-05-10 09:11:58,829 INFO [main.py:798]
{rank 0/64} MD step = 478100 step time: 00:00:00.433503 Performance: 36.462 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:12:05,511 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478100 95620 160.85 8445.8 17629 -9183.7 -9183.7 24.395 24.417 11.307 2.168e+05 2024-05-10 09:12:43,950 INFO [main.py:798]
{rank 0/64} MD step = 478200 step time: 00:00:00.382836 Performance: 36.463 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:12:58,215 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478200 95640 161.8 8542.9 17734 -9190.6 -9190.6 24.4 24.424 11.309 2.1682e+05 2024-05-10 09:13:36,501 INFO [main.py:798]
{rank 0/64} MD step = 478300 step time: 00:00:00.438057 Performance: 36.462 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:13:43,378 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478300 95660 161.81 8653.3 17734 -9081.1 -9081.1 24.406 24.431 11.312 2.1688e+05 2024-05-10 09:14:21,367 INFO [main.py:798]
{rank 0/64} MD step = 478400 step time: 00:00:00.404268 Performance: 36.462 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:14:29,876 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478400 95680 159.39 8435.3 17470 -9034.4 -9034.4 24.413 24.435 11.312 2.1695e+05 2024-05-10 09:15:08,348 INFO [main.py:798]
{rank 0/64} MD step = 478500 step time: 00:00:00.422507 Performance: 36.462 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:15:16,273 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478500 95700 158.01 8056 17318 -9262.4 -9262.4 24.418 24.44 11.315 2.1699e+05 2024-05-10 09:15:54,311 INFO [main.py:798]
{rank 0/64} MD step = 478600 step time: 00:00:00.370724 Performance: 36.462 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:16:04,762 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478600 95720 157.49 8112.8 17261 -9147.8 -9147.8 24.421 24.445 11.317 2.1705e+05 2024-05-10 09:16:43,948 INFO [main.py:798]
{rank 0/64} MD step = 478700 step time: 00:00:00.411227 Performance: 36.462 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:16:53,069 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478700 95740 157.44 7964.2 17256 -9291.5 -9291.5 24.428 24.45 11.319 2.1711e+05 2024-05-10 09:17:30,888 INFO [main.py:798]
{rank 0/64} MD step = 478800 step time: 00:00:00.395250 Performance: 36.462 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:17:44,092 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478800 95760 161.84 8559.9 17738 -9177.7 -9177.7 24.434 24.454 11.32 2.1715e+05 2024-05-10 09:18:23,519 INFO [main.py:798]
{rank 0/64} MD step = 478900 step time: 00:00:00.439880 Performance: 36.461 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:18:32,640 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 478900 95780 161.91 8527.9 17745 -9217.6 -9217.6 24.437 24.459 11.32 2.1722e+05 2024-05-10 09:19:10,801 INFO [main.py:798]
{rank 0/64} MD step = 479000 step time: 00:00:00.400058 Performance: 36.461 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:19:18,277 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479000 95800 161.4 8603 17690 -9086.7 -9086.7 24.443 24.464 11.322 2.1721e+05 2024-05-10 09:19:55,396 INFO [main.py:798]
{rank 0/64} MD step = 479100 step time: 00:00:00.346398 Performance: 36.462 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:20:03,565 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479100 95820 159.91 8317.5 17526 -9208.4 -9208.4 24.447 24.468 11.323 2.1723e+05 2024-05-10 09:20:43,538 INFO [main.py:798]
{rank 0/64} MD step = 479200 step time: 00:00:00.350816 Performance: 36.462 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:20:52,184 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479200 95840 160.87 8455.4 17632 -9176.7 -9176.7 24.451 24.474 11.324 2.1729e+05 2024-05-10 09:21:31,150 INFO [main.py:798]
{rank 0/64} MD step = 479300 step time: 00:00:00.348458 Performance: 36.462 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:21:37,671 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479300 95860 162.18 8505.9 17776 -9269.7 -9269.7 24.457 24.479 11.326 2.1735e+05 2024-05-10 09:22:18,314 INFO [main.py:798]
{rank 0/64} MD step = 479400 step time: 00:00:00.400290 Performance: 36.462 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:22:27,926 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479400 95880 161 8402.8 17646 -9242.8 -9242.8 24.461 24.485 11.329 2.1735e+05 2024-05-10 09:23:07,320 INFO [main.py:798]
{rank 0/64} MD step = 479500 step time: 00:00:00.369281 Performance: 36.461 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:23:14,256 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479500 95900 159.98 8294.9 17534 -9239.5 -9239.5 24.465 24.491 11.331 2.1738e+05 2024-05-10 09:23:51,435 INFO [main.py:798]
{rank 0/64} MD step = 479600 step time: 00:00:00.348714 Performance: 36.462 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:24:07,018 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479600 95920 160.25 8313.3 17564 -9250.4 -9250.4 24.473 24.495 11.335 2.1742e+05 2024-05-10 09:24:46,095 INFO [main.py:798]
{rank 0/64} MD step = 479700 step time: 00:00:00.354582 Performance: 36.461 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:24:53,762 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479700 95940 159.67 8237.6 17500 -9262.7 -9262.7 24.479 24.5 11.336 2.1747e+05 2024-05-10 09:25:35,669 INFO [main.py:798]
{rank 0/64} MD step = 479800 step time: 00:00:00.335612 Performance: 36.460 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:25:47,607 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479800 95960 160.81 8471.4 17625 -9154.1 -9154.1 24.484 24.506 11.339 2.1755e+05 2024-05-10 09:26:25,925 INFO [main.py:798]
{rank 0/64} MD step = 479900 step time: 00:00:00.394557 Performance: 36.460 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:26:35,550 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 479900 95980 158.23 8074.5 17342 -9267.5 -9267.5 24.488 24.51 11.341 2.1759e+05 2024-05-10 09:27:12,275 INFO [main.py:798]
{rank 0/64} MD step = 480000 step time: 00:00:00.389099 Performance: 36.460 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:27:19,270 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480000 96000 158.5 8198.2 17372 -9173.7 -9173.7 24.491 24.517 11.343 2.1764e+05 2024-05-10 09:27:57,858 INFO [main.py:798]
{rank 0/64} MD step = 480100 step time: 00:00:00.400408 Performance: 36.460 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:28:05,769 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480100 96020 160.84 8609.6 17628 -9018.4 -9018.4 24.496 24.521 11.348 2.1767e+05 2024-05-10 09:28:42,473 INFO [main.py:798]
{rank 0/64} MD step = 480200 step time: 00:00:00.341267 Performance: 36.461 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:28:55,347 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480200 96040 160.39 8382.2 17579 -9197.1 -9197.1 24.501 24.526 11.35 2.1769e+05 2024-05-10 09:29:33,313 INFO [main.py:798]
{rank 0/64} MD step = 480300 step time: 00:00:00.400194 Performance: 36.460 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:29:44,407 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480300 96060 159.2 8462.2 17449 -8986.6 -8986.6 24.507 24.53 11.353 2.1776e+05 2024-05-10 09:30:19,444 INFO [main.py:798]
{rank 0/64} MD step = 480400 step time: 00:00:00.336158 Performance: 36.460 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:30:29,536 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480400 96080 161.9 8652.9 17744 -9091 -9091 24.511 24.535 11.357 2.178e+05 2024-05-10 09:31:07,282 INFO [main.py:798]
{rank 0/64} MD step = 480500 step time: 00:00:00.355985 Performance: 36.460 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:31:18,621 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480500 96100 158.88 8225.1 17414 -9188.8 -9188.8 24.515 24.538 11.36 2.1784e+05 2024-05-10 09:32:00,152 INFO [main.py:798]
{rank 0/64} MD step = 480600 step time: 00:00:00.378123 Performance: 36.460 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:32:10,826 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480600 96120 159.44 8316.2 17475 -9158.7 -9158.7 24.521 24.543 11.363 2.1791e+05 2024-05-10 09:32:49,693 INFO [main.py:798]
{rank 0/64} MD step = 480700 step time: 00:00:00.390035 Performance: 36.459 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:33:04,295 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480700 96140 160.16 8381.3 17554 -9172.7 -9172.7 24.525 24.549 11.365 2.1793e+05 2024-05-10 09:33:40,724 INFO [main.py:798]
{rank 0/64} MD step = 480800 step time: 00:00:00.391965 Performance: 36.459 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:33:49,277 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480800 96160 159.57 8329.7 17489 -9159.7 -9159.7 24.531 24.554 11.37 2.1796e+05 2024-05-10 09:34:27,303 INFO [main.py:798]
{rank 0/64} MD step = 480900 step time: 00:00:00.351801 Performance: 36.459 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:34:35,061 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 480900 96180 158.2 8084 17339 -9254.9 -9254.9 24.535 24.559 11.373 2.1804e+05 2024-05-10 09:35:13,432 INFO [main.py:798]
{rank 0/64} MD step = 481000 step time: 00:00:00.340108 Performance: 36.459 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:35:31,406 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 481000 96200 158.45 8211.1 17367 -9155.6 -9155.6 24.542 24.564 11.375 2.1812e+05 2024-05-10 09:36:10,344 INFO [main.py:798]
{rank 0/64} MD step = 481100 step time: 00:00:00.392821 Performance: 36.457 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:36:19,758 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 481100 96220 159.88 8303.5 17523 -9219.5 -9219.5 24.545 24.568 11.375 2.1817e+05 2024-05-10 09:36:59,237 INFO [main.py:798]
{rank 0/64} MD step = 481200 step time: 00:00:00.408547 Performance: 36.457 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:37:11,863 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 481200 96240 159.87 8373.4 17522 -9149 -9149 24.549 24.572 11.377 2.1817e+05 2024-05-10 09:37:50,126 INFO [main.py:798]
{rank 0/64} MD step = 481300 step time: 00:00:00.382703 Performance: 36.457 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:37:58,336 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 481300 96260 160.3 8394.3 17569 -9174.3 -9174.3 24.554 24.576 11.38 2.1825e+05 2024-05-10 09:38:36,159 INFO [main.py:798]
{rank 0/64} MD step = 481400 step time: 00:00:00.397408 Performance: 36.457 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:38:48,308 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 481400 96280 160.13 8295.1 17550 -9255.3 -9255.3 24.557 24.58 11.382 2.1829e+05 2024-05-10 09:39:25,805 INFO [main.py:798]
{rank 0/64} MD step = 481500 step time: 00:00:00.376527 Performance: 36.456 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:39:36,490 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 481500 96300 159.48 8231.6 17479 -9247.7 -9247.7 24.561 24.587 11.385 2.183e+05 2024-05-10 09:40:14,181 INFO [main.py:798]
{rank 0/64} MD step = 481600 step time: 00:00:00.390498 Performance: 36.456 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:40:23,966 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 481600 96320 160.88 8430.9 17633 -9202 -9202 24.566 24.59 11.386 2.1834e+05 2024-05-10 09:41:01,186 INFO [main.py:798]
{rank 0/64} MD step = 481700 step time: 00:00:00.379266 Performance: 36.456 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:41:14,267 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 481700 96340 158.9 8188.5 17416 -9227 -9227 24.572 24.598 11.387 2.1838e+05 2024-05-10 09:41:52,402 INFO [main.py:798]
{rank 0/64} MD step = 481800 step time: 00:00:00.380371 Performance: 36.456 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:42:03,057 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 481800 96360 161 8549.7 17646 -9096.5 -9096.5 24.577 24.604 11.391 2.1846e+05 2024-05-10 09:42:41,592 INFO [main.py:798]
{rank 0/64} MD step = 481900 step time: 00:00:00.339540 Performance: 36.455 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:42:47,950 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 481900 96380 157.07 8009.9 17215 -9205 -9205 24.583 24.61 11.394 2.1849e+05 2024-05-10 09:43:29,016 INFO [main.py:798]
{rank 0/64} MD step = 482000 step time: 00:00:00.342114 Performance: 36.455 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:43:38,651 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482000 96400 156.71 7950.7 17175 -9224.4 -9224.4 24.59 24.617 11.395 2.1851e+05 2024-05-10 09:44:17,088 INFO [main.py:798]
{rank 0/64} MD step = 482100 step time: 00:00:00.373962 Performance: 36.455 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:44:24,375 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482100 96420 162 8487.2 17755 -9267.7 -9267.7 24.596 24.622 11.399 2.1857e+05 2024-05-10 09:45:01,891 INFO [main.py:798]
{rank 0/64} MD step = 482200 step time: 00:00:00.376453 Performance: 36.456 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:45:12,278 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482200 96440 160.5 8343.3 17591 -9248.1 -9248.1 24.601 24.627 11.404 2.1862e+05 2024-05-10 09:45:50,126 INFO [main.py:798]
{rank 0/64} MD step = 482300 step time: 00:00:00.374925 Performance: 36.456 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:45:59,162 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482300 96460 159.82 8245.3 17516 -9271.2 -9271.2 24.607 24.634 11.407 2.1866e+05 2024-05-10 09:46:37,144 INFO [main.py:798]
{rank 0/64} MD step = 482400 step time: 00:00:00.396813 Performance: 36.456 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:46:46,687 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482400 96480 159.12 8351.3 17440 -9088.3 -9088.3 24.613 24.64 11.41 2.1872e+05 2024-05-10 09:47:24,312 INFO [main.py:798]
{rank 0/64} MD step = 482500 step time: 00:00:00.349409 Performance: 36.456 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:47:33,130 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482500 96500 162.35 8575.4 17794 -9218.2 -9218.2 24.619 24.644 11.414 2.1878e+05 2024-05-10 09:48:11,511 INFO [main.py:798]
{rank 0/64} MD step = 482600 step time: 00:00:00.377885 Performance: 36.456 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:48:18,902 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482600 96520 157.05 7984.8 17213 -9228.5 -9228.5 24.624 24.648 11.416 2.188e+05 2024-05-10 09:48:57,363 INFO [main.py:798]
{rank 0/64} MD step = 482700 step time: 00:00:00.428204 Performance: 36.456 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:49:07,080 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482700 96540 160.65 8420.9 17608 -9186.7 -9186.7 24.629 24.655 11.421 2.1881e+05 2024-05-10 09:49:41,207 INFO [main.py:798]
{rank 0/64} MD step = 482800 step time: 00:00:00.332228 Performance: 36.457 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:49:49,435 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482800 96560 157.89 8116.9 17305 -9188.4 -9188.4 24.636 24.661 11.423 2.1887e+05 2024-05-10 09:50:28,797 INFO [main.py:798]
{rank 0/64} MD step = 482900 step time: 00:00:00.334577 Performance: 36.457 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:50:37,180 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 482900 96580 160.93 8446.9 17638 -9190.8 -9190.8 24.64 24.663 11.425 2.1892e+05 2024-05-10 09:51:14,162 INFO [main.py:798]
{rank 0/64} MD step = 483000 step time: 00:00:00.392561 Performance: 36.457 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:51:22,285 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483000 96600 159.64 8370.8 17496 -9125.6 -9125.6 24.648 24.669 11.426 2.1895e+05 2024-05-10 09:51:59,545 INFO [main.py:798]
{rank 0/64} MD step = 483100 step time: 00:00:00.384471 Performance: 36.457 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:52:09,921 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483100 96620 161.42 8516.8 17692 -9175.4 -9175.4 24.653 24.673 11.429 2.1902e+05 2024-05-10 09:52:46,197 INFO [main.py:798]
{rank 0/64} MD step = 483200 step time: 00:00:00.368485 Performance: 36.457 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:52:54,890 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483200 96640 161.17 8459.7 17665 -9205 -9205 24.657 24.68 11.432 2.1907e+05 2024-05-10 09:53:35,786 INFO [main.py:798]
{rank 0/64} MD step = 483300 step time: 00:00:00.352833 Performance: 36.457 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:53:41,598 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483300 96660 158.35 8217.9 17356 -9138 -9138 24.662 24.683 11.435 2.191e+05 2024-05-10 09:54:18,849 INFO [main.py:798]
{rank 0/64} MD step = 483400 step time: 00:00:00.359984 Performance: 36.458 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:54:28,817 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483400 96680 160.01 8442.1 17538 -9095.6 -9095.6 24.667 24.688 11.437 2.1914e+05 2024-05-10 09:55:06,740 INFO [main.py:798]
{rank 0/64} MD step = 483500 step time: 00:00:00.378501 Performance: 36.458 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:55:15,399 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483500 96700 159.47 8280.4 17478 -9197.2 -9197.2 24.672 24.692 11.441 2.1922e+05 2024-05-10 09:55:51,665 INFO [main.py:798]
{rank 0/64} MD step = 483600 step time: 00:00:00.346402 Performance: 36.458 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:55:59,403 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483600 96720 159.98 8275.2 17534 -9259.3 -9259.3 24.677 24.698 11.441 2.1924e+05 2024-05-10 09:56:37,011 INFO [main.py:798]
{rank 0/64} MD step = 483700 step time: 00:00:00.370828 Performance: 36.458 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:56:50,977 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483700 96740 155.25 7808.1 17016 -9208 -9208 24.682 24.704 11.445 2.1931e+05 2024-05-10 09:57:28,776 INFO [main.py:798]
{rank 0/64} MD step = 483800 step time: 00:00:00.365505 Performance: 36.458 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:57:36,860 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483800 96760 158.72 8115.5 17396 -9280.7 -9280.7 24.688 24.709 11.449 2.1935e+05 2024-05-10 09:58:15,671 INFO [main.py:798]
{rank 0/64} MD step = 483900 step time: 00:00:00.368475 Performance: 36.458 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:58:23,785 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 483900 96780 159.06 8264.5 17433 -9168.7 -9168.7 24.693 24.714 11.45 2.1942e+05 2024-05-10 09:59:00,908 INFO [main.py:798]
{rank 0/64} MD step = 484000 step time: 00:00:00.378941 Performance: 36.458 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 09:59:21,964 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484000 96800 158.82 8177.4 17407 -9229.4 -9229.4 24.697 24.718 11.452 2.1944e+05 2024-05-10 09:59:59,424 INFO [main.py:798]
{rank 0/64} MD step = 484100 step time: 00:00:00.409847 Performance: 36.456 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:00:06,261 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484100 96820 160.11 8275.9 17549 -9272.7 -9272.7 24.703 24.722 11.456 2.1948e+05 2024-05-10 10:00:44,115 INFO [main.py:798]
{rank 0/64} MD step = 484200 step time: 00:00:00.386314 Performance: 36.457 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:00:54,149 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484200 96840 160.42 8335.7 17582 -9246.4 -9246.4 24.708 24.729 11.46 2.1954e+05 2024-05-10 10:01:32,669 INFO [main.py:798]
{rank 0/64} MD step = 484300 step time: 00:00:00.351206 Performance: 36.457 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:01:40,254 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484300 96860 160.55 8416.4 17596 -9179.9 -9179.9 24.711 24.733 11.462 2.1961e+05 2024-05-10 10:02:20,594 INFO [main.py:798]
{rank 0/64} MD step = 484400 step time: 00:00:00.373530 Performance: 36.456 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:02:28,182 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484400 96880 159.51 8267.1 17482 -9215.2 -9215.2 24.716 24.74 11.465 2.1965e+05 2024-05-10 10:03:03,534 INFO [main.py:798]
{rank 0/64} MD step = 484500 step time: 00:00:00.421295 Performance: 36.457 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:03:10,806 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484500 96900 158.01 8225.8 17318 -9092.7 -9092.7 24.721 24.746 11.466 2.1967e+05 2024-05-10 10:03:47,692 INFO [main.py:798]
{rank 0/64} MD step = 484600 step time: 00:00:00.358915 Performance: 36.458 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:04:06,258 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484600 96920 163.84 8823 17957 -9134 -9134 24.723 24.749 11.469 2.197e+05 2024-05-10 10:04:44,309 INFO [main.py:798]
{rank 0/64} MD step = 484700 step time: 00:00:00.344894 Performance: 36.456 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:04:53,419 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484700 96940 158.38 8104.5 17359 -9254.5 -9254.5 24.729 24.753 11.472 2.1973e+05 2024-05-10 10:05:31,311 INFO [main.py:798]
{rank 0/64} MD step = 484800 step time: 00:00:00.400905 Performance: 36.456 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:05:38,677 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484800 96960 159.99 8350.8 17535 -9184.2 -9184.2 24.734 24.759 11.474 2.1983e+05 2024-05-10 10:06:16,269 INFO [main.py:798]
{rank 0/64} MD step = 484900 step time: 00:00:00.416201 Performance: 36.457 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:06:23,797 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 484900 96980 161.25 8564 17673 -9108.8 -9108.8 24.738 24.763 11.475 2.1986e+05 2024-05-10 10:07:00,957 INFO [main.py:798]
{rank 0/64} MD step = 485000 step time: 00:00:00.351309 Performance: 36.457 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:07:09,891 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485000 97000 163.53 8723.4 17923 -9199.6 -9199.6 24.743 24.768 11.477 2.1991e+05 2024-05-10 10:07:48,624 INFO [main.py:798]
{rank 0/64} MD step = 485100 step time: 00:00:00.374263 Performance: 36.457 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:07:59,051 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485100 97020 159.88 8408.3 17523 -9114.6 -9114.6 24.748 24.772 11.481 2.1996e+05 2024-05-10 10:08:35,604 INFO [main.py:798]
{rank 0/64} MD step = 485200 step time: 00:00:00.377358 Performance: 36.457 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:08:43,299 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485200 97040 157.7 8057.9 17284 -9226.1 -9226.1 24.755 24.778 11.483 2.2001e+05 2024-05-10 10:09:21,651 INFO [main.py:798]
{rank 0/64} MD step = 485300 step time: 00:00:00.377647 Performance: 36.457 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:09:27,965 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485300 97060 157.59 8154.4 17272 -9117.9 -9117.9 24.761 24.783 11.485 2.2006e+05 2024-05-10 10:10:07,571 INFO [main.py:798]
{rank 0/64} MD step = 485400 step time: 00:00:00.358072 Performance: 36.458 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:10:19,230 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485400 97080 159.83 8225.3 17517 -9292.1 -9292.1 24.767 24.79 11.488 2.2007e+05 2024-05-10 10:10:54,912 INFO [main.py:798]
{rank 0/64} MD step = 485500 step time: 00:00:00.370673 Performance: 36.458 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:11:02,247 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485500 97100 156.31 7910.8 17131 -9220.7 -9220.7 24.773 24.795 11.491 2.2013e+05 2024-05-10 10:11:40,800 INFO [main.py:798]
{rank 0/64} MD step = 485600 step time: 00:00:00.381875 Performance: 36.458 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:11:48,092 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485600 97120 160.75 8367.8 17619 -9250.8 -9250.8 24.776 24.8 11.493 2.2017e+05 2024-05-10 10:12:25,277 INFO [main.py:798]
{rank 0/64} MD step = 485700 step time: 00:00:00.355174 Performance: 36.458 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:12:32,905 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485700 97140 159.36 8246.3 17466 -9219.9 -9219.9 24.781 24.806 11.495 2.2019e+05 2024-05-10 10:13:11,386 INFO [main.py:798]
{rank 0/64} MD step = 485800 step time: 00:00:00.414270 Performance: 36.458 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:13:18,989 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485800 97160 159.82 8349.4 17516 -9167 -9167 24.785 24.812 11.496 2.2026e+05 2024-05-10 10:13:55,574 INFO [main.py:798]
{rank 0/64} MD step = 485900 step time: 00:00:00.367477 Performance: 36.459 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:14:03,941 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 485900 97180 157.98 8262.8 17315 -9052.3 -9052.3 24.789 24.818 11.498 2.2031e+05 2024-05-10 10:14:40,195 INFO [main.py:798]
{rank 0/64} MD step = 486000 step time: 00:00:00.343307 Performance: 36.459 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:14:53,186 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 486000 97200 163.7 8681.6 17941 -9259.9 -9259.9 24.794 24.823 11.501 2.2033e+05 2024-05-10 10:15:29,596 INFO [main.py:798]
{rank 0/64} MD step = 486100 step time: 00:00:00.371288 Performance: 36.459 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:15:39,918 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 486100 97220 161.22 8519.1 17670 -9151.2 -9151.2 24.799 24.828 11.503 2.204e+05 2024-05-10 10:16:18,428 INFO [main.py:798]
{rank 0/64} MD step = 486200 step time: 00:00:00.360325 Performance: 36.459 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:16:26,801 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 486200 97240 161.21 8409.9 17668 -9258.5 -9258.5 24.803 24.834 11.506 2.2046e+05 2024-05-10 10:17:03,174 INFO [main.py:798]
{rank 0/64} MD step = 486300 step time: 00:00:00.375955 Performance: 36.459 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:17:25,536 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 486300 97260 162.02 8455.7 17758 -9302.2 -9302.2 24.808 24.839 11.507 2.205e+05 2024-05-10 10:18:01,061 INFO [main.py:798]
{rank 0/64} MD step = 486400 step time: 00:00:00.356001 Performance: 36.458 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:18:08,429 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 486400 97280 159.93 8408.2 17529 -9120.8 -9120.8 24.815 24.843 11.509 2.2057e+05 2024-05-10 10:18:44,816 INFO [main.py:798]
{rank 0/64} MD step = 486500 step time: 00:00:00.360533 Performance: 36.458 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:18:54,027 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 486500 97300 157.49 8024.8 17261 -9236.3 -9236.3 24.82 24.848 11.511 2.2059e+05 2024-05-10 10:19:31,560 INFO [main.py:798]
{rank 0/64} MD step = 486600 step time: 00:00:00.387771 Performance: 36.458 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:19:39,487 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 486600 97320 159.98 8316.4 17534 -9218 -9218 24.827 24.855 11.514 2.2064e+05 2024-05-10 10:20:14,944 INFO [main.py:798]
{rank 0/64} MD step = 486700 step time: 00:00:00.348346 Performance: 36.459 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:20:24,382 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 486700 97340 159.91 8270 17526 -9256.2 -9256.2 24.832 24.861 11.515 2.2068e+05 2024-05-10 10:21:01,328 INFO [main.py:798]
{rank 0/64} MD step = 486800 step time: 00:00:00.374525 Performance: 36.459 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:21:07,573 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 486800 97360 160.95 8498.5 17640 -9141.7 -9141.7 24.837 24.866 11.518 2.2076e+05 2024-05-10 10:21:44,277 INFO [main.py:798]
{rank 0/64} MD step = 486900 step time: 00:00:00.352437 Performance: 36.460 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:21:53,690 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 486900 97380 161.18 8414.7 17665 -9250.4 -9250.4 24.842 24.871 11.523 2.2083e+05 2024-05-10 10:22:29,491 INFO [main.py:798]
{rank 0/64} MD step = 487000 step time: 00:00:00.351405 Performance: 36.460 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:22:37,955 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 487000 97400 160.49 8443.6 17590 -9146.3 -9146.3 24.848 24.876 11.527 2.2088e+05 2024-05-10 10:23:13,962 INFO [main.py:798]
{rank 0/64} MD step = 487100 step time: 00:00:00.379047 Performance: 36.461 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:23:22,000 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 487100 97420 160.9 8364.2 17635 -9270.5 -9270.5 24.852 24.881 11.53 2.209e+05 2024-05-10 10:23:58,918 INFO [main.py:798]
{rank 0/64} MD step = 487200 step time: 00:00:00.377078 Performance: 36.461 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:24:08,566 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 487200 97440 161.4 8400.8 17689 -9288.5 -9288.5 24.857 24.887 11.531 2.2095e+05 2024-05-10 10:24:42,817 INFO [main.py:798]
{rank 0/64} MD step = 487300 step time: 00:00:00.348524 Performance: 36.462 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:24:57,248 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 487300 97460 161.53 8577.7 17704 -9126.6 -9126.6 24.864 24.893 11.534 2.2103e+05 2024-05-10 10:25:35,882 INFO [main.py:798]
{rank 0/64} MD step = 487400 step time: 00:00:00.370611 Performance: 36.461 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:25:47,392 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 487400 97480 158.17 8162 17335 -9173.2 -9173.2 24.868 24.898 11.537 2.2106e+05 2024-05-10 10:26:23,464 INFO [main.py:798]
{rank 0/64} MD step = 487500 step time: 00:00:00.357112 Performance: 36.461 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:26:29,818 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 487500 97500 161.47 8513.9 17698 -9183.6 -9183.6 24.875 24.901 11.541 2.2111e+05 2024-05-10 10:27:05,970 INFO [main.py:798]
{rank 0/64} MD step = 487600 step time: 00:00:00.347088 Performance: 36.461 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:27:14,409 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 487600 97520 159.72 8294 17506 -9211.7 -9211.7 24.882 24.907 11.543 2.2119e+05 2024-05-10 10:27:52,348 INFO [main.py:798]
{rank 0/64} MD step = 487700 step time: 00:00:00.372132 Performance: 36.462 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:27:59,819 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 487700 97540 163.05 8728.7 17871 -9142 -9142 24.886 24.912 11.546 2.2119e+05 2024-05-10 10:28:35,618 INFO [main.py:798]
{rank 0/64} MD step = 487800 step time: 00:00:00.358722 Performance: 36.462 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:28:47,255 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 487800 97560 158.12 8038.7 17330 -9291.3 -9291.3 24.89 24.917 11.548 2.2123e+05 2024-05-10 10:29:23,629 INFO [main.py:798]
{rank 0/64} MD step = 487900 step time: 00:00:00.379789 Performance: 36.462 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:29:31,980 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 487900 97580 161.89 8630.4 17744 -9113.2 -9113.2 24.892 24.923 11.551 2.2129e+05 2024-05-10 10:30:08,376 INFO [main.py:798]
{rank 0/64} MD step = 488000 step time: 00:00:00.334391 Performance: 36.463 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:30:16,094 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488000 97600 160.9 8512.1 17635 -9122.6 -9122.6 24.898 24.929 11.552 2.2136e+05 2024-05-10 10:30:51,621 INFO [main.py:798]
{rank 0/64} MD step = 488100 step time: 00:00:00.359268 Performance: 36.463 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:31:03,110 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488100 97620 160.79 8331.5 17622 -9290.8 -9290.8 24.903 24.934 11.555 2.2139e+05 2024-05-10 10:31:39,645 INFO [main.py:798]
{rank 0/64} MD step = 488200 step time: 00:00:00.369822 Performance: 36.463 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:31:49,160 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488200 97640 162.39 8603.3 17798 -9194.8 -9194.8 24.907 24.939 11.555 2.2142e+05 2024-05-10 10:32:24,188 INFO [main.py:798]
{rank 0/64} MD step = 488300 step time: 00:00:00.368719 Performance: 36.464 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:32:32,636 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488300 97660 159.39 8316.4 17469 -9153 -9153 24.913 24.946 11.558 2.2149e+05 2024-05-10 10:33:09,615 INFO [main.py:798]
{rank 0/64} MD step = 488400 step time: 00:00:00.360631 Performance: 36.464 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:33:17,307 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488400 97680 158.72 8141.3 17396 -9254.4 -9254.4 24.917 24.95 11.56 2.2155e+05 2024-05-10 10:33:54,188 INFO [main.py:798]
{rank 0/64} MD step = 488500 step time: 00:00:00.334380 Performance: 36.464 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:34:05,480 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488500 97700 159.3 8206.5 17460 -9253.4 -9253.4 24.922 24.954 11.562 2.216e+05 2024-05-10 10:34:41,486 INFO [main.py:798]
{rank 0/64} MD step = 488600 step time: 00:00:00.334608 Performance: 36.464 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:34:51,844 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488600 97720 157.31 8039 17241 -9202.4 -9202.4 24.927 24.959 11.564 2.2162e+05 2024-05-10 10:35:28,186 INFO [main.py:798]
{rank 0/64} MD step = 488700 step time: 00:00:00.367504 Performance: 36.464 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:35:37,804 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488700 97740 159.97 8503.8 17533 -9029.5 -9029.5 24.934 24.964 11.565 2.2167e+05 2024-05-10 10:36:17,134 INFO [main.py:798]
{rank 0/64} MD step = 488800 step time: 00:00:00.339634 Performance: 36.464 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:36:25,004 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488800 97760 159.58 8372.3 17490 -9118 -9118 24.939 24.968 11.567 2.2171e+05 2024-05-10 10:37:00,984 INFO [main.py:798]
{rank 0/64} MD step = 488900 step time: 00:00:00.353616 Performance: 36.465 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:37:10,106 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 488900 97780 158.71 8222.3 17395 -9172.7 -9172.7 24.944 24.975 11.569 2.2174e+05 2024-05-10 10:37:47,959 INFO [main.py:798]
{rank 0/64} MD step = 489000 step time: 00:00:00.384434 Performance: 36.465 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:37:54,921 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489000 97800 159 8174.7 17427 -9252.1 -9252.1 24.95 24.983 11.572 2.2177e+05 2024-05-10 10:38:32,261 INFO [main.py:798]
{rank 0/64} MD step = 489100 step time: 00:00:00.346588 Performance: 36.465 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:38:39,406 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489100 97820 159.64 8304.5 17497 -9192.8 -9192.8 24.955 24.989 11.574 2.2182e+05 2024-05-10 10:39:14,617 INFO [main.py:798]
{rank 0/64} MD step = 489200 step time: 00:00:00.368603 Performance: 36.466 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:39:23,465 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489200 97840 158.58 8236.3 17380 -9143.9 -9143.9 24.96 24.994 11.577 2.2187e+05 2024-05-10 10:40:01,372 INFO [main.py:798]
{rank 0/64} MD step = 489300 step time: 00:00:00.395533 Performance: 36.466 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:40:09,449 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489300 97860 157.61 8071 17274 -9203.5 -9203.5 24.967 25 11.579 2.2189e+05 2024-05-10 10:40:44,271 INFO [main.py:798]
{rank 0/64} MD step = 489400 step time: 00:00:00.346415 Performance: 36.467 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:40:52,809 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489400 97880 159.69 8320.2 17502 -9181.8 -9181.8 24.974 25.006 11.58 2.2196e+05 2024-05-10 10:41:27,923 INFO [main.py:798]
{rank 0/64} MD step = 489500 step time: 00:00:00.366254 Performance: 36.467 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:41:35,524 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489500 97900 159.01 8216.1 17428 -9211.5 -9211.5 24.977 25.013 11.582 2.2203e+05 2024-05-10 10:42:13,936 INFO [main.py:798]
{rank 0/64} MD step = 489600 step time: 00:00:00.360551 Performance: 36.468 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:42:25,265 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489600 97920 160.94 8436.9 17640 -9202.7 -9202.7 24.985 25.018 11.586 2.2205e+05 2024-05-10 10:43:00,871 INFO [main.py:798]
{rank 0/64} MD step = 489700 step time: 00:00:00.348906 Performance: 36.468 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:43:10,780 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489700 97940 159.75 8345.9 17509 -9163.2 -9163.2 24.989 25.023 11.589 2.221e+05 2024-05-10 10:43:46,562 INFO [main.py:798]
{rank 0/64} MD step = 489800 step time: 00:00:00.402873 Performance: 36.468 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:43:54,110 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489800 97960 160.47 8386.7 17588 -9200.9 -9200.9 24.994 25.027 11.593 2.2215e+05 2024-05-10 10:44:30,794 INFO [main.py:798]
{rank 0/64} MD step = 489900 step time: 00:00:00.339326 Performance: 36.468 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:44:37,687 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 489900 97980 160.2 8306.5 17558 -9251.7 -9251.7 24.998 25.032 11.594 2.2219e+05 2024-05-10 10:45:12,589 INFO [main.py:798]
{rank 0/64} MD step = 490000 step time: 00:00:00.376554 Performance: 36.469 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 10:45:19,470 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 490000 98000 161.87 8405.8 17741 -9335.1 -9335.1 25.004 25.037 11.595 2.2224e+05 2024-05-10 10:45:57,357 INFO [main.py:798]
{rank 0/64} MD step = 490100 step time: 00:00:00.369327 Performance: 36.470 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 10:46:06,432 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 490100 98020 156.97 8098 17204 -9105.9 -9105.9 25.011 25.045 11.597 2.223e+05 2024-05-10 10:46:42,758 INFO [main.py:798]
{rank 0/64} MD step = 490200 step time: 00:00:00.341068 Performance: 36.470 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 10:46:50,972 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 490200 98040 162.98 8725 17862 -9137.3 -9137.3 25.017 25.049 11.599 2.2235e+05 2024-05-10 10:47:27,004 INFO [main.py:798]
{rank 0/64} MD step = 490300 step time: 00:00:00.374116 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 10:47:36,190 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 490300 98060 159.18 8092.1 17446 -9353.8 -9353.8 25.023 25.053 11.602 2.2236e+05 2024-05-10 10:48:13,318 INFO [main.py:798]
{rank 0/64} MD step = 490400 step time: 00:00:00.359672 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 10:48:22,970 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 490400 98080 161.96 8550.2 17751 -9200.6 -9200.6 25.031 25.057 11.603 2.2242e+05 2024-05-10 10:48:58,803 INFO [main.py:798]
{rank 0/64} MD step = 490500 step time: 00:00:00.358797 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 10:49:06,553 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 490500 98100 157.88 8175 17304 -9129 -9129 25.035 25.064 11.606 2.2244e+05 2024-05-10 10:49:41,111 INFO [main.py:798]
{rank 0/64} MD step = 490600 step time: 00:00:00.362816 Performance: 36.472 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 10:49:47,692 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 490600 98120 161.72 8578.1 17725 -9147 -9147 25.041 25.068 11.609 2.2251e+05 2024-05-10 10:50:24,493 INFO [main.py:798]
{rank 0/64} MD step = 490700 step time: 00:00:00.381048 Performance: 36.472 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 10:50:34,375 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 490700 98140 157.13 8038 17221 -9183.2 -9183.2 25.047 25.074 11.613 2.2253e+05 2024-05-10 10:51:10,493 INFO [main.py:798]
{rank 0/64} MD step = 490800 step time: 00:00:00.343504 Performance: 36.473 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 10:51:18,598 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 490800 98160 159.13 8316.3 17441 -9125 -9125 25.052 25.079 11.616 2.2256e+05 2024-05-10 10:51:53,180 INFO [main.py:798]
{rank 0/64} MD step = 490900 step time: 00:00:00.348690 Performance: 36.473 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 10:52:03,859 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 490900 98180 159.09 8310.5 17436 -9125.6 -9125.6 25.058 25.086 11.618 2.2259e+05 2024-05-10 10:52:42,036 INFO [main.py:798]
{rank 0/64} MD step = 491000 step time: 00:00:00.384280 Performance: 36.473 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 10:52:52,081 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 491000 98200 160.22 8386.7 17560 -9173.7 -9173.7 25.061 25.09 11.621 2.2266e+05 2024-05-10 10:53:29,459 INFO [main.py:798]
{rank 0/64} MD step = 491100 step time: 00:00:00.367158 Performance: 36.473 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 10:53:37,234 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 491100 98220 159.75 8296.8 17508 -9211.6 -9211.6 25.065 25.096 11.624 2.2268e+05 2024-05-10 10:54:12,709 INFO [main.py:798]
{rank 0/64} MD step = 491200 step time: 00:00:00.354379 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 10:54:28,514 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 491200 98240 162.5 8674.3 17810 -9135.7 -9135.7 25.069 25.101 11.626 2.2275e+05 2024-05-10 10:55:03,945 INFO [main.py:798]
{rank 0/64} MD step = 491300 step time: 00:00:00.336090 Performance: 36.473 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 10:55:13,125 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 491300 98260 158.69 8196.3 17393 -9196.3 -9196.3 25.075 25.105 11.627 2.2279e+05 2024-05-10 10:55:48,898 INFO [main.py:798]
{rank 0/64} MD step = 491400 step time: 00:00:00.337430 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 10:56:02,476 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 491400 98280 159.84 8330.1 17519 -9188.5 -9188.5 25.08 25.11 11.631 2.2284e+05 2024-05-10 10:56:38,794 INFO [main.py:798]
{rank 0/64} MD step = 491500 step time: 00:00:00.377498 Performance: 36.473 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 10:56:47,477 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 491500 98300 157.69 7981.6 17283 -9301.6 -9301.6 25.084 25.114 11.632 2.229e+05 2024-05-10 10:57:22,847 INFO [main.py:798]
{rank 0/64} MD step = 491600 step time: 00:00:00.381566 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 10:57:33,529 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 491600 98320 158.54 8182.7 17377 -9193.9 -9193.9 25.087 25.119 11.633 2.2294e+05 2024-05-10 10:58:09,134 INFO [main.py:798]
{rank 0/64} MD step = 491700 step time: 00:00:00.395634 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 10:58:17,275 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 491700 98340 159.81 8269.9 17515 -9245.4 -9245.4 25.091 25.126 11.636 2.2301e+05 2024-05-10 10:58:53,819 INFO [main.py:798]
{rank 0/64} MD step = 491800 step time: 00:00:00.369686 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 10:59:04,113 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 491800 98360 159.62 8270.4 17494 -9224 -9224 25.097 25.131 11.638 2.2306e+05 2024-05-10 10:59:38,805 INFO [main.py:798]
{rank 0/64} MD step = 491900 step time: 00:00:00.341322 Performance: 36.475 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 10:59:47,356 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 491900 98380 158.05 8103.5 17322 -9218.5 -9218.5 25.1 25.135 11.64 2.2311e+05 2024-05-10 11:00:23,991 INFO [main.py:798]
{rank 0/64} MD step = 492000 step time: 00:00:00.384894 Performance: 36.475 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:00:30,238 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492000 98400 159.02 8158.6 17429 -9270.3 -9270.3 25.105 25.14 11.645 2.2316e+05 2024-05-10 11:01:09,671 INFO [main.py:798]
{rank 0/64} MD step = 492100 step time: 00:00:00.343963 Performance: 36.475 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:01:19,759 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492100 98420 161.3 8327 17678 -9351.3 -9351.3 25.11 25.145 11.648 2.2324e+05 2024-05-10 11:01:55,007 INFO [main.py:798]
{rank 0/64} MD step = 492200 step time: 00:00:00.338634 Performance: 36.476 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:02:09,066 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492200 98440 159.31 8280.4 17461 -9180.6 -9180.6 25.114 25.151 11.652 2.2331e+05 2024-05-10 11:02:47,574 INFO [main.py:798]
{rank 0/64} MD step = 492300 step time: 00:00:00.336237 Performance: 36.475 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:02:57,346 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492300 98460 158.32 8077.9 17352 -9273.8 -9273.8 25.118 25.155 11.656 2.2337e+05 2024-05-10 11:03:32,444 INFO [main.py:798]
{rank 0/64} MD step = 492400 step time: 00:00:00.333771 Performance: 36.475 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:03:53,786 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492400 98480 163.19 8600.7 17886 -9285.1 -9285.1 25.123 25.16 11.659 2.2339e+05 2024-05-10 11:04:28,889 INFO [main.py:798]
{rank 0/64} MD step = 492500 step time: 00:00:00.339517 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:05:00,782 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492500 98500 160.84 8418.7 17628 -9209.7 -9209.7 25.128 25.164 11.662 2.2345e+05 2024-05-10 11:05:36,999 INFO [main.py:798]
{rank 0/64} MD step = 492600 step time: 00:00:00.387021 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:05:48,682 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492600 98520 159.76 8224 17510 -9286 -9286 25.135 25.168 11.665 2.2348e+05 2024-05-10 11:06:25,386 INFO [main.py:798]
{rank 0/64} MD step = 492700 step time: 00:00:00.367303 Performance: 36.470 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:06:33,434 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492700 98540 160.41 8387.1 17581 -9194.2 -9194.2 25.141 25.173 11.667 2.2357e+05 2024-05-10 11:07:11,263 INFO [main.py:798]
{rank 0/64} MD step = 492800 step time: 00:00:00.353827 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:07:18,302 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492800 98560 158.9 8221.8 17415 -9193.4 -9193.4 25.147 25.18 11.67 2.2356e+05 2024-05-10 11:07:55,861 INFO [main.py:798]
{rank 0/64} MD step = 492900 step time: 00:00:00.347617 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:08:05,963 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 492900 98580 162.33 8592.4 17791 -9199 -9199 25.151 25.186 11.673 2.2365e+05 2024-05-10 11:08:41,368 INFO [main.py:798]
{rank 0/64} MD step = 493000 step time: 00:00:00.334689 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:08:47,525 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493000 98600 160.28 8458.9 17567 -9108.4 -9108.4 25.155 25.191 11.674 2.237e+05 2024-05-10 11:09:24,446 INFO [main.py:798]
{rank 0/64} MD step = 493100 step time: 00:00:00.371407 Performance: 36.472 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:09:31,707 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493100 98620 159.27 8287.8 17456 -9168.1 -9168.1 25.16 25.197 11.678 2.2372e+05 2024-05-10 11:10:10,696 INFO [main.py:798]
{rank 0/64} MD step = 493200 step time: 00:00:00.336335 Performance: 36.472 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:10:17,418 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493200 98640 159.81 8211.8 17515 -9303.2 -9303.2 25.165 25.203 11.68 2.238e+05 2024-05-10 11:10:53,830 INFO [main.py:798]
{rank 0/64} MD step = 493300 step time: 00:00:00.465674 Performance: 36.473 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:11:00,586 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493300 98660 161.37 8449.9 17687 -9236.9 -9236.9 25.169 25.208 11.682 2.2382e+05 2024-05-10 11:11:38,660 INFO [main.py:798]
{rank 0/64} MD step = 493400 step time: 00:00:00.400800 Performance: 36.473 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:11:46,872 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493400 98680 162.18 8491.4 17775 -9283.2 -9283.2 25.172 25.215 11.686 2.2389e+05 2024-05-10 11:12:22,370 INFO [main.py:798]
{rank 0/64} MD step = 493500 step time: 00:00:00.334279 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:12:31,364 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493500 98700 159.69 8291.7 17502 -9210.4 -9210.4 25.177 25.221 11.69 2.2391e+05 2024-05-10 11:13:08,757 INFO [main.py:798]
{rank 0/64} MD step = 493600 step time: 00:00:00.389317 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:13:19,659 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493600 98720 159.02 8210.2 17429 -9218.5 -9218.5 25.182 25.227 11.692 2.2398e+05 2024-05-10 11:13:54,886 INFO [main.py:798]
{rank 0/64} MD step = 493700 step time: 00:00:00.337051 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:14:01,565 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493700 98740 159.77 8390.7 17511 -9120.5 -9120.5 25.187 25.23 11.693 2.2403e+05 2024-05-10 11:14:37,398 INFO [main.py:798]
{rank 0/64} MD step = 493800 step time: 00:00:00.351756 Performance: 36.475 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:14:44,458 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493800 98760 160.88 8389.7 17632 -9242.7 -9242.7 25.193 25.235 11.696 2.2406e+05 2024-05-10 11:15:21,241 INFO [main.py:798]
{rank 0/64} MD step = 493900 step time: 00:00:00.383466 Performance: 36.475 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:15:28,756 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 493900 98780 159.77 8418.4 17511 -9092.3 -9092.3 25.197 25.239 11.697 2.2413e+05 2024-05-10 11:16:04,735 INFO [main.py:798]
{rank 0/64} MD step = 494000 step time: 00:00:00.351829 Performance: 36.476 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:16:12,160 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494000 98800 158.63 8255.9 17386 -9129.6 -9129.6 25.201 25.245 11.699 2.2419e+05 2024-05-10 11:16:46,965 INFO [main.py:798]
{rank 0/64} MD step = 494100 step time: 00:00:00.347153 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:16:56,592 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494100 98820 158.79 8197.8 17403 -9205.4 -9205.4 25.205 25.249 11.703 2.2423e+05 2024-05-10 11:17:33,058 INFO [main.py:798]
{rank 0/64} MD step = 494200 step time: 00:00:00.367883 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:17:40,529 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494200 98840 157.96 8111.8 17313 -9201.1 -9201.1 25.212 25.256 11.705 2.2426e+05 2024-05-10 11:18:16,204 INFO [main.py:798]
{rank 0/64} MD step = 494300 step time: 00:00:00.335917 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:18:23,471 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494300 98860 161.56 8462.4 17708 -9245.2 -9245.2 25.218 25.26 11.705 2.2431e+05 2024-05-10 11:19:00,666 INFO [main.py:798]
{rank 0/64} MD step = 494400 step time: 00:00:00.363352 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:19:08,092 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494400 98880 159.56 8322.6 17488 -9165.2 -9165.2 25.225 25.265 11.706 2.2434e+05 2024-05-10 11:19:47,132 INFO [main.py:798]
{rank 0/64} MD step = 494500 step time: 00:00:00.358714 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:19:54,081 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494500 98900 155.91 7879.6 17088 -9208.2 -9208.2 25.228 25.27 11.708 2.244e+05 2024-05-10 11:20:33,929 INFO [main.py:798]
{rank 0/64} MD step = 494600 step time: 00:00:00.375788 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:20:41,847 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494600 98920 159.99 8309 17535 -9225.8 -9225.8 25.234 25.276 11.711 2.2444e+05 2024-05-10 11:21:22,502 INFO [main.py:798]
{rank 0/64} MD step = 494700 step time: 00:00:00.392474 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:21:29,135 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494700 98940 160.14 8359.3 17551 -9192.2 -9192.2 25.242 25.283 11.714 2.2449e+05 2024-05-10 11:22:08,336 INFO [main.py:798]
{rank 0/64} MD step = 494800 step time: 00:00:00.344652 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:22:18,605 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494800 98960 160.75 8431.6 17618 -9186.5 -9186.5 25.245 25.288 11.717 2.2452e+05 2024-05-10 11:22:57,639 INFO [main.py:798]
{rank 0/64} MD step = 494900 step time: 00:00:00.386422 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:23:08,309 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 494900 98980 156.81 7887.4 17186 -9299.1 -9299.1 25.251 25.293 11.72 2.2459e+05 2024-05-10 11:23:47,173 INFO [main.py:798]
{rank 0/64} MD step = 495000 step time: 00:00:00.399102 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:23:52,580 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495000 99000 157.2 7939.2 17229 -9290.3 -9290.3 25.256 25.297 11.721 2.246e+05 2024-05-10 11:24:30,971 INFO [main.py:798]
{rank 0/64} MD step = 495100 step time: 00:00:00.375923 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:24:40,494 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495100 99020 158.71 8107.4 17395 -9288 -9288 25.26 25.303 11.724 2.2466e+05 2024-05-10 11:25:19,375 INFO [main.py:798]
{rank 0/64} MD step = 495200 step time: 00:00:00.380008 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:25:28,054 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495200 99040 158.79 8244.6 17404 -9159.1 -9159.1 25.265 25.31 11.726 2.247e+05 2024-05-10 11:26:08,815 INFO [main.py:798]
{rank 0/64} MD step = 495300 step time: 00:00:00.362659 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:26:22,956 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495300 99060 160.69 8373.6 17612 -9238.5 -9238.5 25.27 25.316 11.728 2.2476e+05 2024-05-10 11:27:02,201 INFO [main.py:798]
{rank 0/64} MD step = 495400 step time: 00:00:00.406449 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:27:08,543 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495400 99080 160.36 8377.2 17576 -9198.8 -9198.8 25.275 25.32 11.73 2.2479e+05 2024-05-10 11:27:48,319 INFO [main.py:798]
{rank 0/64} MD step = 495500 step time: 00:00:00.378946 Performance: 36.477 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:27:54,960 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495500 99100 157.53 8066.9 17265 -9198.4 -9198.4 25.279 25.325 11.732 2.248e+05 2024-05-10 11:28:32,229 INFO [main.py:798]
{rank 0/64} MD step = 495600 step time: 00:00:00.337957 Performance: 36.478 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:29:07,916 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495600 99120 159.28 8240.1 17458 -9217.5 -9217.5 25.286 25.33 11.736 2.2484e+05 2024-05-10 11:29:45,833 INFO [main.py:798]
{rank 0/64} MD step = 495700 step time: 00:00:00.367940 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:29:52,691 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495700 99140 160.19 8412.5 17557 -9144.9 -9144.9 25.293 25.335 11.739 2.2492e+05 2024-05-10 11:30:32,504 INFO [main.py:798]
{rank 0/64} MD step = 495800 step time: 00:00:00.377479 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:30:39,613 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495800 99160 161.14 8469.1 17661 -9192.1 -9192.1 25.298 25.341 11.743 2.2494e+05 2024-05-10 11:31:18,952 INFO [main.py:798]
{rank 0/64} MD step = 495900 step time: 00:00:00.353365 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:31:25,688 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 495900 99180 158.41 8152.5 17362 -9209.1 -9209.1 25.304 25.346 11.744 2.25e+05 2024-05-10 11:32:05,096 INFO [main.py:798]
{rank 0/64} MD step = 496000 step time: 00:00:00.377610 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:32:14,373 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496000 99200 160.78 8417.8 17622 -9204.3 -9204.3 25.309 25.352 11.746 2.2502e+05 2024-05-10 11:32:55,320 INFO [main.py:798]
{rank 0/64} MD step = 496100 step time: 00:00:00.403283 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:33:02,963 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496100 99220 159.56 8240.3 17488 -9247.9 -9247.9 25.313 25.356 11.749 2.2507e+05 2024-05-10 11:33:42,551 INFO [main.py:798]
{rank 0/64} MD step = 496200 step time: 00:00:00.398106 Performance: 36.474 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:33:55,186 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496200 99240 159.84 8390.6 17518 -9127.6 -9127.6 25.317 25.36 11.752 2.2509e+05 2024-05-10 11:34:34,368 INFO [main.py:798]
{rank 0/64} MD step = 496300 step time: 00:00:00.442832 Performance: 36.473 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:34:42,362 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496300 99260 161.27 8584.4 17676 -9091.4 -9091.4 25.322 25.365 11.755 2.2511e+05 2024-05-10 11:35:24,782 INFO [main.py:798]
{rank 0/64} MD step = 496400 step time: 00:00:00.421915 Performance: 36.473 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:35:32,069 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496400 99280 158.68 8144.7 17391 -9246.4 -9246.4 25.327 25.368 11.759 2.2517e+05 2024-05-10 11:36:11,432 INFO [main.py:798]
{rank 0/64} MD step = 496500 step time: 00:00:00.393146 Performance: 36.473 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:36:18,172 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496500 99300 157.65 8126.2 17278 -9152 -9152 25.332 25.373 11.762 2.2519e+05 2024-05-10 11:36:58,141 INFO [main.py:798]
{rank 0/64} MD step = 496600 step time: 00:00:00.424785 Performance: 36.473 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:37:07,486 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496600 99320 161.42 8478.7 17692 -9213.7 -9213.7 25.338 25.379 11.765 2.2524e+05 2024-05-10 11:37:46,921 INFO [main.py:798]
{rank 0/64} MD step = 496700 step time: 00:00:00.367793 Performance: 36.473 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:37:55,026 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496700 99340 159.38 8170.6 17469 -9298.1 -9298.1 25.343 25.383 11.767 2.2529e+05 2024-05-10 11:38:33,960 INFO [main.py:798]
{rank 0/64} MD step = 496800 step time: 00:00:00.384355 Performance: 36.473 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:38:41,914 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496800 99360 160.06 8285.4 17543 -9257.6 -9257.6 25.349 25.388 11.767 2.2534e+05 2024-05-10 11:39:21,274 INFO [main.py:798]
{rank 0/64} MD step = 496900 step time: 00:00:00.364180 Performance: 36.473 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:39:32,362 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 496900 99380 159.18 8194.3 17447 -9252.5 -9252.5 25.355 25.394 11.769 2.2537e+05 2024-05-10 11:40:10,878 INFO [main.py:798]
{rank 0/64} MD step = 497000 step time: 00:00:00.388671 Performance: 36.472 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:40:20,950 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 497000 99400 159.24 8313.6 17453 -9139.6 -9139.6 25.358 25.399 11.77 2.2541e+05 2024-05-10 11:41:00,994 INFO [main.py:798]
{rank 0/64} MD step = 497100 step time: 00:00:00.386529 Performance: 36.472 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:41:07,695 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 497100 99420 160.62 8350.8 17604 -9253.3 -9253.3 25.364 25.406 11.771 2.2548e+05 2024-05-10 11:41:45,351 INFO [main.py:798]
{rank 0/64} MD step = 497200 step time: 00:00:00.347290 Performance: 36.472 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:41:51,685 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 497200 99440 159.57 8151.1 17489 -9337.6 -9337.6 25.369 25.41 11.773 2.255e+05 2024-05-10 11:42:32,591 INFO [main.py:798]
{rank 0/64} MD step = 497300 step time: 00:00:00.357896 Performance: 36.472 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:42:40,454 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 497300 99460 163.45 8706.4 17915 -9208.3 -9208.3 25.375 25.415 11.775 2.2555e+05 2024-05-10 11:43:20,112 INFO [main.py:798]
{rank 0/64} MD step = 497400 step time: 00:00:00.406364 Performance: 36.472 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:43:27,862 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 497400 99480 161.73 8577.2 17726 -9148.9 -9148.9 25.381 25.421 11.777 2.2559e+05 2024-05-10 11:44:07,628 INFO [main.py:798]
{rank 0/64} MD step = 497500 step time: 00:00:00.396543 Performance: 36.472 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:44:16,519 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 497500 99500 158.61 8189 17384 -9194.6 -9194.6 25.385 25.424 11.78 2.2563e+05 2024-05-10 11:44:53,637 INFO [main.py:798]
{rank 0/64} MD step = 497600 step time: 00:00:00.392248 Performance: 36.472 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:45:02,095 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 497600 99520 161.44 8501.7 17695 -9192.9 -9192.9 25.391 25.43 11.783 2.2567e+05 2024-05-10 11:45:42,103 INFO [main.py:798]
{rank 0/64} MD step = 497700 step time: 00:00:00.379091 Performance: 36.472 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:45:53,675 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 497700 99540 161.9 8596.7 17745 -9148.1 -9148.1 25.396 25.436 11.786 2.2572e+05 2024-05-10 11:46:38,273 INFO [main.py:798]
{rank 0/64} MD step = 497800 step time: 00:00:00.417193 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:46:45,674 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 497800 99560 160.49 8350.3 17589 -9239.2 -9239.2 25.4 25.442 11.787 2.2578e+05 2024-05-10 11:47:24,225 INFO [main.py:798]
{rank 0/64} MD step = 497900 step time: 00:00:00.397534 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:47:31,002 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 497900 99580 161.75 8501.5 17728 -9226.1 -9226.1 25.403 25.448 11.791 2.2582e+05 2024-05-10 11:48:10,272 INFO [main.py:798]
{rank 0/64} MD step = 498000 step time: 00:00:00.408736 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:48:19,070 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 498000 99600 161.06 8512.2 17652 -9139.7 -9139.7 25.409 25.452 11.794 2.2588e+05 2024-05-10 11:48:58,523 INFO [main.py:798]
{rank 0/64} MD step = 498100 step time: 00:00:00.417375 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:49:08,119 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 498100 99620 158.9 8237.3 17416 -9178.5 -9178.5 25.414 25.457 11.798 2.259e+05 2024-05-10 11:49:46,524 INFO [main.py:798]
{rank 0/64} MD step = 498200 step time: 00:00:00.416796 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:49:53,617 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 498200 99640 159.1 8312.1 17437 -9125.4 -9125.4 25.418 25.462 11.8 2.2593e+05 2024-05-10 11:50:33,551 INFO [main.py:798]
{rank 0/64} MD step = 498300 step time: 00:00:00.414974 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:50:39,967 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 498300 99660 161.07 8524.2 17653 -9129 -9129 25.421 25.469 11.803 2.2598e+05 2024-05-10 11:51:17,361 INFO [main.py:798]
{rank 0/64} MD step = 498400 step time: 00:00:00.382265 Performance: 36.472 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:51:29,556 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 498400 99680 159.26 8208.3 17455 -9246.8 -9246.8 25.423 25.474 11.807 2.2602e+05 2024-05-10 11:52:09,506 INFO [main.py:798]
{rank 0/64} MD step = 498500 step time: 00:00:00.409800 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:52:18,028 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 498500 99700 159.91 8243 17526 -9282.8 -9282.8 25.429 25.477 11.808 2.2607e+05 2024-05-10 11:52:58,032 INFO [main.py:798]
{rank 0/64} MD step = 498600 step time: 00:00:00.401215 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:53:04,832 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 498600 99720 159.62 8345.6 17495 -9149.5 -9149.5 25.434 25.483 11.81 2.2613e+05 2024-05-10 11:53:44,598 INFO [main.py:798]
{rank 0/64} MD step = 498700 step time: 00:00:00.397897 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:53:52,580 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 498700 99740 159.62 8344.5 17494 -9149.7 -9149.7 25.44 25.487 11.812 2.2617e+05 2024-05-10 11:54:33,863 INFO [main.py:798]
{rank 0/64} MD step = 498800 step time: 00:00:00.430607 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:54:41,253 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 498800 99760 159.43 8305.5 17474 -9168.5 -9168.5 25.444 25.492 11.816 2.2622e+05 2024-05-10 11:55:20,420 INFO [main.py:798]
{rank 0/64} MD step = 498900 step time: 00:00:00.405538 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:55:26,187 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 498900 99780 159.18 8307.5 17447 -9139.1 -9139.1 25.449 25.497 11.817 2.2626e+05 2024-05-10 11:56:06,266 INFO [main.py:798]
{rank 0/64} MD step = 499000 step time: 00:00:00.416430 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:56:17,846 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 499000 99800 159.31 8324.9 17461 -9136.1 -9136.1 25.455 25.501 11.821 2.2628e+05 2024-05-10 11:56:57,835 INFO [main.py:798]
{rank 0/64} MD step = 499100 step time: 00:00:00.392244 Performance: 36.470 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:57:05,286 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 499100 99820 160.45 8355.5 17586 -9230.4 -9230.4 25.46 25.508 11.822 2.2632e+05 2024-05-10 11:57:44,391 INFO [main.py:798]
{rank 0/64} MD step = 499200 step time: 00:00:00.361251 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:57:51,583 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 499200 99840 162.44 8650 17803 -9153.5 -9153.5 25.465 25.513 11.825 2.264e+05 2024-05-10 11:58:31,503 INFO [main.py:798]
{rank 0/64} MD step = 499300 step time: 00:00:00.436843 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:58:38,038 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 499300 99860 160.64 8388 17606 -9218.2 -9218.2 25.468 25.519 11.827 2.2641e+05 2024-05-10 11:59:17,997 INFO [main.py:798]
{rank 0/64} MD step = 499400 step time: 00:00:00.383274 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 11:59:26,999 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 499400 99880 160.45 8330.9 17585 -9254.2 -9254.2 25.474 25.523 11.831 2.2646e+05 2024-05-10 12:00:06,437 INFO [main.py:798]
{rank 0/64} MD step = 499500 step time: 00:00:00.391742 Performance: 36.471 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 12:00:11,354 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 499500 99900 159.95 8415 17531 -9115.9 -9115.9 25.481 25.528 11.835 2.2652e+05 2024-05-10 12:00:54,382 INFO [main.py:798]
{rank 0/64} MD step = 499600 step time: 00:00:00.361842 Performance: 36.470 ns/day 0.658 hours/ns 2.111 steps/s 2024-05-10 12:01:15,263 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 499600 99920 158.49 8114.2 17371 -9256.3 -9256.3 25.486 25.533 11.835 2.2657e+05 2024-05-10 12:01:53,211 INFO [main.py:798]
{rank 0/64} MD step = 499700 step time: 00:00:00.401939 Performance: 36.469 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 12:02:03,246 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 499700 99940 160.82 8389 17626 -9236.6 -9236.6 25.49 25.537 11.837 2.266e+05 2024-05-10 12:02:43,280 INFO [main.py:798]
{rank 0/64} MD step = 499800 step time: 00:00:00.436555 Performance: 36.468 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 12:03:01,166 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 499800 99960 161.05 8437.2 17652 -9214.5 -9214.5 25.494 25.543 11.84 2.2666e+05 2024-05-10 12:03:39,393 INFO [main.py:798]
{rank 0/64} MD step = 499900 step time: 00:00:00.440610 Performance: 36.467 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 12:03:47,310 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 499900 99980 159.02 8291.4 17429 -9137.8 -9137.8 25.5 25.548 11.842 2.2673e+05 2024-05-10 12:04:25,508 INFO [main.py:798]
{rank 0/64} MD step = 500000 step time: 00:00:00.430991 Performance: 36.467 ns/day 0.658 hours/ns 2.110 steps/s 2024-05-10 12:04:33,192 INFO [file_io.py:790] {rank 0/64} step time temp tot E kin E pot E field E Px Py Pz ΔH 500000 1e+05 160.89 8466.8 17634 -9167.3 -9167.3 25.504 25.553 11.843 2.2676e+05 2024-05-10 12:04:33,263 INFO [main.py:1449]
{rank 0/64} Elapsed time: 2 days 17:49:16.801099 Setup time: 00:00:22.783091 MD loop time: 2 days 17:48:54.018008