18 lines
3.6 KiB
Groff
18 lines
3.6 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 1.2242355 0.086595582 0.072648705 1.2242355 1.0816895 0.42626249 0.3565233 1.6241341 0 -2213.3361 0.37088188 -2212.9098 0.71413586 -2212.9224 1 -2213.2663
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20 0.19588932 0.0012168353 0.030662384 0.19588932 0.75515983 0.40437453 0.39852311 1.7268527 0 -2213.3367 0.34208306 -2212.9388 0.66423726 -2212.9323 1 -2213.3309
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30 0.1869187 0.0021226034 0.017499232 0.1869187 0.76520951 0.3980839 0.39441394 1.7844461 0 -2213.3372 0.32421631 -2212.9568 0.65133197 -2212.9391 1 -2213.3335
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40 0.11321955 0.00043584889 0.01537027 0.11321955 0.76532699 0.39554626 0.3935265 1.776706 0 -2213.3372 0.32558467 -2212.9568 0.65544975 -2212.9416 1 -2213.3352
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50 0.028776728 2.0793338e-05 0.0122002 0.028776728 0.77556626 0.39051956 0.39029332 1.760354 0 -2213.3373 0.32966261 -2212.9549 0.66430354 -2212.9467 1 -2213.337
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59 0.0099585067 2.416213e-06 0.0047941306 0.0094770722 0.77974186 0.38849588 0.38847136 1.7616644 0 -2213.3374 0.33362989 -2212.9504 0.6658526 -2212.9489 1 -2213.3373
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Climbing replica = 3
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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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59 0.77974186 0.097057869 0.0047941306 0.0094770722 0.77974186 0.38849588 0.38847136 1.7616644 0 -2213.3374 0.33362989 -2212.9504 0.6658526 -2212.9489 1 -2213.3373
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69 0.13816105 0.0021278109 0.0026465305 0.0048457089 0.11221869 0.50897114 0.50896616 1.7593071 0 -2213.3374 0.27913223 -2213.0388 0.48839722 -2212.8284 1 -2213.3374
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79 0.062187806 0.00068817247 0.0022273113 0.0040062921 0.04278784 0.50993279 0.50992936 1.7604061 0 -2213.3374 0.26509702 -2213.0624 0.49891123 -2212.8275 1 -2213.3374
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89 0.043536699 3.7008738e-05 0.0016144278 0.0053609983 0.037774797 0.51011791 0.51011601 1.7613134 0 -2213.3374 0.25270909 -2213.0829 0.50660388 -2212.8273 1 -2213.3374
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92 0.0080241884 4.3207018e-06 0.0015106164 0.0020805318 0.0078516003 0.51009797 0.51009647 1.7613094 0 -2213.3374 0.25274058 -2213.0828 0.50650134 -2212.8273 1 -2213.3374
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