21 lines
6.3 KiB
Groff
21 lines
6.3 KiB
Groff
LAMMPS (22 Dec 2022)
|
|
Running on 8 partitions of processors
|
|
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
|
|
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
|
|
10 1.2320596 0.087281926 0.072990571 1.2320596 0.92989854 0.52029759 0.45012042 1.6330433 0 -2213.3361 0.1768131 -2213.2012 0.34516176 -2212.9517 0.48368489 -2212.8158 0.62534081 -2212.8355 0.76179961 -2212.9905 0.91907569 -2213.1998 1 -2213.2659
|
|
20 0.34766227 0.0062948227 0.039292576 0.34766227 0.29244514 0.50478237 0.48179644 1.6785161 0 -2213.3364 0.17128496 -2213.2085 0.33258995 -2212.9636 0.47240082 -2212.8316 0.60975548 -2212.8536 0.74517643 -2213.0112 0.89083794 -2213.2245 1 -2213.3134
|
|
30 0.35188873 0.0014184218 0.034614799 0.20873149 0.28199021 0.50204801 0.49364972 1.7248952 0 -2213.3367 0.16629621 -2213.2145 0.32222569 -2212.9727 0.46262742 -2212.8346 0.59702463 -2212.8565 0.73099459 -2213.018 0.86817989 -2213.226 1 -2213.3283
|
|
40 0.057791264 0.00016550907 0.017458611 0.050481075 0.27712368 0.49784376 0.49714972 1.7899665 0 -2213.3371 0.15803421 -2213.2284 0.30761347 -2212.9911 0.44868702 -2212.8393 0.5824406 -2212.8589 0.7140577 -2213.025 0.84935812 -2213.2373 1 -2213.3364
|
|
50 0.02035645 1.3459811e-05 0.007241779 0.018346539 0.31372054 0.49363003 0.49357565 1.7978909 0 -2213.3373 0.15126982 -2213.2396 0.29942808 -2213.0064 0.44205561 -2212.8437 0.58044898 -2212.858 0.71846013 -2213.0337 0.85908837 -2213.2514 1 -2213.3373
|
|
59 0.0058988238 1.836036e-06 0.001054484 0.0043504781 0.34547252 0.48989711 0.48989213 1.8067428 0 -2213.3374 0.14670703 -2213.2465 0.29189422 -2213.0193 0.4356769 -2212.8475 0.57841778 -2212.8574 0.71998891 -2213.039 0.85982209 -2213.255 1 -2213.3374
|
|
Climbing replica = 4
|
|
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
|
|
59 0.34547252 0.019420459 0.001054484 0.0043504781 0.34547252 0.48989711 0.48989213 1.8067428 0 -2213.3374 0.14670703 -2213.2465 0.29189422 -2213.0193 0.4356769 -2212.8475 0.57841778 -2212.8574 0.71998891 -2213.039 0.85982209 -2213.255 1 -2213.3374
|
|
69 0.10391035 0.00029310745 0.0023163968 0.006147836 0.03201585 0.50999215 0.50999139 1.8055039 0 -2213.3374 0.14976505 -2213.2416 0.31653057 -2212.9794 0.5040173 -2212.8274 0.60418343 -2212.8803 0.72364213 -2213.0456 0.86014207 -2213.2555 1 -2213.3374
|
|
79 0.044198954 0.00015621769 0.00056590472 0.0011565392 0.016883675 0.51005088 0.51005064 1.8053162 0 -2213.3374 0.15190823 -2213.2386 0.31904041 -2212.9755 0.50210886 -2212.8273 0.60661861 -2212.8829 0.72604963 -2213.0499 0.86081173 -2213.2566 1 -2213.3374
|
|
89 0.027924206 0.00010099828 0.00039692228 0.00069147654 0.010133882 0.51007875 0.51007857 1.8052757 0 -2213.3374 0.15392556 -2213.2357 0.32111624 -2212.9721 0.5007745 -2212.8273 0.60859997 -2212.8851 0.72823532 -2213.0538 0.86154874 -2213.2576 1 -2213.3374
|
|
99 0.022602497 8.0323241e-05 0.00035956909 0.00060220293 0.0065849079 0.5100882 0.51008806 1.8052618 0 -2213.3374 0.15546867 -2213.2335 0.3225455 -2212.9698 0.50002581 -2212.8273 0.60995779 -2212.8866 0.72985336 -2213.0566 0.86213433 -2213.2584 1 -2213.3374
|
|
109 0.018298657 5.4288265e-05 0.00030270395 0.00048060071 0.0022651265 0.51009416 0.51009406 1.8053316 0 -2213.3374 0.15820322 -2213.2296 0.32495165 -2212.966 0.49905325 -2212.8273 0.61226527 -2212.8892 0.73282271 -2213.0619 0.86346341 -2213.2602 1 -2213.3374
|
|
119 0.010211025 1.7221132e-05 0.00017778104 0.00025255624 0.00070655861 0.51009456 0.51009454 1.80572 0 -2213.3374 0.16331253 -2213.2222 0.32937045 -2212.9592 0.49823224 -2212.8273 0.61683399 -2212.8945 0.73931229 -2213.0733 0.86742037 -2213.2653 1 -2213.3374
|
|
120 0.0089694548 1.3230058e-05 0.00015610596 0.00021792062 0.00063767041 0.51009454 0.51009453 1.805801 0 -2213.3374 0.16403316 -2213.2211 0.33002855 -2212.9582 0.49818893 -2212.8273 0.61760389 -2212.8954 0.74043767 -2213.0753 0.86821424 -2213.2663 1 -2213.3374
|