14 lines
2.6 KiB
Groff
14 lines
2.6 KiB
Groff
LAMMPS (22 Dec 2022)
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Running on 4 partitions of processors
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Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 RD3 PE3 RD4 PE4
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0 7.5525391 2.671788 0.16683659 7.5525391 7.5525391 1.5383951 0 1.6207355 0 -2213.3343 0.33333333 -2212.7428 0.66666667 -2212.2247 1 -2211.7959
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10 0.46216583 0.0051492795 0.037366657 0.46216583 0.73462727 0.43186008 0.41574663 1.7087071 0 -2213.3365 0.32702986 -2212.9582 0.64999668 -2212.9046 1 -2213.3203
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20 0.043512314 2.283814e-05 0.012187699 0.043512314 0.76646077 0.39432793 0.3940659 1.7561432 0 -2213.3373 0.32780031 -2212.9572 0.66217652 -2212.9429 1 -2213.337
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30 0.013325949 1.4246224e-06 0.0044333864 0.013325949 0.78230748 0.38743403 0.38737644 1.7649525 0 -2213.3374 0.33331192 -2212.9499 0.66661645 -2212.9517 1 -2213.3373
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33 0.0099397657 5.9498676e-07 0.0037851068 0.0099397657 0.78238393 0.38740426 0.38737143 1.7642863 0 -2213.3374 0.3334882 -2212.95 0.6669705 -2212.9517 1 -2213.3373
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Climbing replica = 2
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Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 RD3 PE3 RD4 PE4
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33 0.78238393 0.097532698 0.0037851068 0.0099397657 0.78238393 0.38740426 0.38737143 1.7642863 0 -2213.3374 0.3334882 -2212.95 0.6669705 -2212.9517 1 -2213.3373
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43 0.11893981 0.0023416724 0.0019497166 0.0030874743 0.11893981 0.50787395 0.5078698 1.7604064 0 -2213.3374 0.51773821 -2212.8295 0.72807049 -2213.0494 1 -2213.3374
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51 0.008807552 2.9340152e-06 0.0011026254 0.0016276126 0.0050319792 0.51009605 0.51009487 1.7603982 0 -2213.3374 0.49481378 -2212.8273 0.74807379 -2213.0827 1 -2213.3374
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