lammps/examples/neb/log.neb.hop2.10Sep10.linux.4

19 lines
1.2 KiB
Groff

LAMMPS (7 Oct 2010)
Running on 4 partitions of processors
Step MaxReplicaForce MaxAtomForce RD1 PE1 RD2 PE2 ... RDN PEN
0 14.4706 10.6542 0 -3.19051 0.333333 -3.18866 0.666667 -3.18862 1 -3.18934
100 0.376157 0.149124 0 -3.19051 0.293005 -3.18936 0.59723 -3.18895 1 -3.19051
200 0.205029 0.0602429 0 -3.19052 0.300372 -3.18932 0.633185 -3.18904 1 -3.19051
300 0.290337 0.0762659 0 -3.19052 0.315043 -3.18926 0.644819 -3.18908 1 -3.19052
400 0.102264 0.0250286 0 -3.19052 0.323255 -3.18923 0.655365 -3.18911 1 -3.19052
500 0.0245027 0.00963392 0 -3.19052 0.326135 -3.18922 0.658828 -3.18913 1 -3.19052
600 0.0282936 0.00605774 0 -3.19052 0.328852 -3.18921 0.662529 -3.18914 1 -3.19052
700 0.0193091 0.00411287 0 -3.19052 0.330378 -3.1892 0.664116 -3.18918 1 -3.19052
763 0.00925047 0.00239377 0 -3.19052 0.331738 -3.1892 0.664872 -3.18919 1 -3.19052
Climbing replica = 3
Step MaxReplicaForce MaxAtomForce RD1 PE1 RD2 PE2 ... RDN PEN
763 1.25625 1.22516 0 -3.19052 0.331738 -3.1892 0.664872 -3.18919 1 -3.19052
863 0.111473 0.0576821 0 -3.19052 0.278536 -3.18942 0.502167 -3.18884 1 -3.19052
963 0.0365617 0.0188834 0 -3.19052 0.260586 -3.18952 0.503636 -3.18884 1 -3.19052
1049 0.00944841 0.00581768 0 -3.19052 0.254838 -3.18955 0.504648 -3.18884 1 -3.19052