5302074b3f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10709 f3b2605a-c512-4ea7-a41b-209d697bcdaa
69 lines
2.3 KiB
Plaintext
69 lines
2.3 KiB
Plaintext
LAMMPS (30 Aug 2013)
|
|
Lattice spacing in x,y,z = 3.615 3.615 3.615
|
|
Created orthogonal box = (-65.07 -10.845 -10.845) to (65.07 10.845 10.845)
|
|
4 by 1 by 1 MPI processor grid
|
|
Created 4896 atoms
|
|
4608 atoms in group internal
|
|
ATC: constructing kernel field estimate
|
|
ATC: version 2.0
|
|
ATC: peratom PE compute created with ID: 3
|
|
ATC: created uniform mesh with 40 nodes, 10 unique nodes, and 9 elements
|
|
Setting up run ...
|
|
ATC: computing bond matrix ..........done
|
|
Memory usage per processor = 34.3603 Mbytes
|
|
Step PotEng KinEng Press Lx Ly Lz
|
|
0 -17256.022 0 -2117.8338 130.14 21.69 21.69
|
|
1 -17256.022 0 -2117.8338 130.14 21.69 21.69
|
|
Loop time of 0.004924 on 4 procs for 1 steps with 4896 atoms
|
|
|
|
Pair time (%) = 0.00442356 (89.8367)
|
|
Neigh time (%) = 0 (0)
|
|
Comm time (%) = 0.00033915 (6.8877)
|
|
Outpt time (%) = 8.29101e-05 (1.6838)
|
|
Other time (%) = 7.83801e-05 (1.5918)
|
|
|
|
Nlocal: 1224 ave 1296 max 1152 min
|
|
Histogram: 2 0 0 0 0 0 0 0 0 2
|
|
Nghost: 2259 ave 2592 max 1926 min
|
|
Histogram: 2 0 0 0 0 0 0 0 0 2
|
|
Neighs: 32508 ave 34992 max 29952 min
|
|
Histogram: 2 0 0 0 0 0 0 0 0 2
|
|
FullNghs: 65016 ave 69984 max 60048 min
|
|
Histogram: 2 0 0 0 0 0 0 0 0 2
|
|
|
|
Total # of neighbors = 260064
|
|
Ave neighs/atom = 53.1176
|
|
Neighbor list builds = 0
|
|
Dangerous builds = 0
|
|
Displacing atoms ...
|
|
ATC: Warning : text output can create _LARGE_ files
|
|
ATC: output custom names:
|
|
|
|
Setting up run ...
|
|
ATC: computing bond matrix ..........done
|
|
Memory usage per processor = 34.3603 Mbytes
|
|
Step PotEng KinEng Press Lx Ly Lz
|
|
1 -17252.771 0 -14787.592 130.14 21.69 21.69
|
|
2 -17252.771 0 -14787.592 130.14 21.69 21.69
|
|
Loop time of 0.0577895 on 4 procs for 1 steps with 4896 atoms
|
|
|
|
Pair time (%) = 0.00456053 (7.89162)
|
|
Neigh time (%) = 0 (0)
|
|
Comm time (%) = 0.00036943 (0.639268)
|
|
Outpt time (%) = 0.000626504 (1.08411)
|
|
Other time (%) = 0.052233 (90.385)
|
|
|
|
Nlocal: 1224 ave 1296 max 1152 min
|
|
Histogram: 2 0 0 0 0 0 0 0 0 2
|
|
Nghost: 2259 ave 2592 max 1926 min
|
|
Histogram: 2 0 0 0 0 0 0 0 0 2
|
|
Neighs: 32508 ave 34992 max 29952 min
|
|
Histogram: 2 0 0 0 0 0 0 0 0 2
|
|
FullNghs: 65016 ave 69984 max 60048 min
|
|
Histogram: 2 0 0 0 0 0 0 0 0 2
|
|
|
|
Total # of neighbors = 260064
|
|
Ave neighs/atom = 53.1176
|
|
Neighbor list builds = 0
|
|
Dangerous builds = 0
|