14 lines
3.7 KiB
Groff
14 lines
3.7 KiB
Groff
LAMMPS (22 Dec 2022)
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Running on 8 partitions of processors
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Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 RD3 PE3 RD4 PE4 RD5 PE5 RD6 PE6 RD7 PE7 RD8 PE8
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0 7.5525391 2.671788 0.16683659 7.5525391 7.5525391 1.5383951 0 1.6207355 0 -2213.3343 0.14285714 -2213.1848 0.28571429 -2212.8577 0.42857143 -2212.5353 0.57142857 -2212.3131 0.71428571 -2212.192 0.85714286 -2212.0797 1 -2211.7959
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10 0.27486716 0.0017281127 0.037721061 0.27486716 0.32100389 0.50003331 0.48766837 1.7119537 0 -2213.3364 0.14581806 -2213.2404 0.28864803 -2213.0226 0.42984612 -2212.8524 0.56983493 -2212.8364 0.70847557 -2212.9777 0.84375029 -2213.1864 1 -2213.3241
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20 0.047741482 3.4018843e-05 0.0053928498 0.047741482 0.30221459 0.49495036 0.49459098 1.8074346 0 -2213.3374 0.14054108 -2213.2548 0.28065414 -2213.0386 0.41819565 -2212.8602 0.55627759 -2212.8424 0.70222327 -2213.0092 0.85378572 -2213.2468 1 -2213.337
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30 0.012567763 6.1780436e-06 0.0026217775 0.012567763 0.33971672 0.49061087 0.49056393 1.8091484 0 -2213.3374 0.13879023 -2213.2573 0.27787573 -2213.0435 0.41888798 -2212.8598 0.56343409 -2212.8468 0.71009982 -2213.0224 0.85508133 -2213.2488 1 -2213.3373
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32 0.0099818352 5.0445758e-06 0.0023391247 0.0099818352 0.3410653 0.49044531 0.49041427 1.8093473 0 -2213.3374 0.13882973 -2213.2573 0.27807873 -2213.0432 0.41927693 -2212.8594 0.56364277 -2212.8469 0.70980206 -2213.0221 0.85499635 -2213.2488 1 -2213.3374
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Climbing replica = 5
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Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 RD3 PE3 RD4 PE4 RD5 PE5 RD6 PE6 RD7 PE7 RD8 PE8
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32 0.3410653 0.018891117 0.0023391247 0.0099818352 0.3410653 0.49044531 0.49041427 1.8093473 0 -2213.3374 0.13882973 -2213.2573 0.27807873 -2213.0432 0.41927693 -2212.8594 0.56364277 -2212.8469 0.70980206 -2213.0221 0.85499635 -2213.2488 1 -2213.3374
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42 0.042312873 0.00028976371 0.00045314275 0.0018860714 0.042312873 0.50980848 0.50980753 1.8039022 0 -2213.3374 0.13841591 -2213.2584 0.26642019 -2213.0641 0.3725915 -2212.9069 0.49444569 -2212.8276 0.66002775 -2212.9434 0.84108833 -2213.2272 1 -2213.3374
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51 0.0089751353 1.2746747e-05 0.00016299416 0.00046366447 0.0016749468 0.51009429 0.5100942 1.8053423 0 -2213.3374 0.12912907 -2213.2701 0.25434566 -2213.0852 0.37907396 -2212.9 0.50224055 -2212.8273 0.66630719 -2212.9517 0.83074085 -2213.2125 1 -2213.3374
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