15 lines
4.1 KiB
Groff
15 lines
4.1 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 0.46447325 0.0052462601 0.037338127 0.46447325 0.37667022 0.50318443 0.48704165 1.7253429 0 -2213.3365 0.14442357 -2213.2417 0.28503505 -2213.0254 0.42409324 -2212.8538 0.56258354 -2212.8333 0.69977887 -2212.9699 0.83619707 -2213.1796 1 -2213.3203
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20 0.043299594 2.8585254e-05 0.012333757 0.043299594 0.27938535 0.49739645 0.49712539 1.7893093 0 -2213.3373 0.14188026 -2213.2515 0.28157541 -2213.0356 0.4182013 -2212.8603 0.55374849 -2212.8399 0.69415862 -2212.991 0.84452994 -2213.2285 1 -2213.337
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30 0.012289005 5.974698e-06 0.0023605822 0.012289005 0.32976078 0.49176182 0.49172234 1.8105174 0 -2213.3374 0.13869503 -2213.2576 0.27749295 -2213.0442 0.41784303 -2212.8606 0.56135257 -2212.8456 0.70701715 -2213.0179 0.85358787 -2213.2475 1 -2213.3373
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33 0.0088647875 3.4085768e-06 0.0020866123 0.0088647875 0.33104665 0.49160744 0.4915799 1.8100979 0 -2213.3374 0.13864807 -2213.2576 0.2776303 -2213.0439 0.4181963 -2212.8603 0.56162447 -2212.8458 0.70717763 -2213.0181 0.85366003 -2213.2475 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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33 0.33104665 0.017863622 0.0020866123 0.0088647875 0.33104665 0.49160744 0.4915799 1.8100979 0 -2213.3374 0.13864807 -2213.2576 0.2776303 -2213.0439 0.4181963 -2212.8603 0.56162447 -2212.8458 0.70717763 -2213.0181 0.85366003 -2213.2475 1 -2213.3374
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43 0.054112454 0.00047825561 0.00038962777 0.0015636803 0.054112454 0.50962039 0.50961954 1.8035082 0 -2213.3374 0.13833023 -2213.2584 0.26704509 -2213.0629 0.3730948 -2212.9063 0.49225322 -2212.8278 0.66083256 -2212.9444 0.84198634 -2213.2284 1 -2213.3374
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53 0.022143267 6.4982107e-05 0.00012753585 0.00045066791 0.018054134 0.51004146 0.51004137 1.8062851 0 -2213.3374 0.11859376 -2213.2817 0.24849089 -2213.0953 0.37834425 -2212.9009 0.49927692 -2212.8273 0.6677767 -2212.9539 0.83286378 -2213.2157 1 -2213.3374
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62 0.0085119718 1.0949458e-05 8.7993377e-05 0.00026447737 0.0023280053 0.51009368 0.51009365 1.8057897 0 -2213.3374 0.12379906 -2213.2761 0.24933412 -2213.0937 0.37423657 -2212.9056 0.50212345 -2212.8273 0.66767172 -2212.9537 0.83604893 -2213.2201 1 -2213.3374
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