lammps/examples/neb/log.neb.hop1.18Feb13.linux.4

12 lines
1.5 KiB
Groff

LAMMPS (18 Feb 2013)
Running on 4 partitions of processors
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
0 4394.415 2794.6751 0.41279209 4.8987813 4588.501 0.43598632 0.42993506 1.8911387 0 -3.053578 0.33333333 -2.6175917 0.66666667 -2.7448543 1 -3.0475267
100 0.16491797 0.11704265 0.073253678 0.15376032 0.16852504 0.0070973947 0.0022716577 2.2924235 0 -3.0535878 0.32028055 -3.0473424 0.63279844 -3.0464904 1 -3.0487621
167 0.099489681 0.075645838 0.058144199 0.074832649 0.20958916 0.0070828454 0.0022622141 2.3072232 0 -3.053591 0.31925954 -3.0473496 0.64307831 -3.0465082 1 -3.0487704
Climbing replica = 3
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
167 0.20958916 0.18030355 0.058144199 0.074832649 0.20958916 0.0070828454 0.0022622141 2.3072232 0 -3.053591 0.31925954 -3.0473496 0.64307831 -3.0465082 1 -3.0487704
267 0.15398043 0.13842303 0.053188236 0.064560479 0.15398043 0.0070933391 0.0022732427 2.3091348 0 -3.053592 0.31934334 -3.047352 0.63302643 -3.0464987 1 -3.0487719
339 0.099312103 0.088450672 0.042522861 0.048330586 0.099312103 0.0071036621 0.002284228 2.3132329 0 -3.0535938 0.31606593 -3.0473883 0.61753222 -3.0464901 1 -3.0487743