forked from lijiext/lammps
34 lines
1.1 KiB
Groff
34 lines
1.1 KiB
Groff
LAMMPS (15 May 2015)
|
|
Lattice spacing in x,y,z = 4.43 4.43 4.43
|
|
Created orthogonal box = (0 0 0) to (88.6 88.6 88.6)
|
|
1 by 1 by 1 MPI processor grid
|
|
Created 32000 atoms
|
|
Neighbor list info ...
|
|
1 neighbor list requests
|
|
update every 1 steps, delay 0 steps, check yes
|
|
master list distance cutoff = 8.45
|
|
Setting up run ...
|
|
Memory usage per processor = 9.43789 Mbytes
|
|
Step Temp E_pair E_mol TotEng Press
|
|
0 200 -741.55469 0 85.684388 -34.939092
|
|
100 108.37517 -362.56658 0 85.694308 3963.7892
|
|
Loop time of 3.79746 on 1 procs for 100 steps with 32000 atoms
|
|
|
|
Pair time (%) = 3.18686 (83.9207)
|
|
Neigh time (%) = 0.524724 (13.8178)
|
|
Comm time (%) = 0.0244031 (0.642616)
|
|
Outpt time (%) = 0.000174046 (0.00458321)
|
|
Other time (%) = 0.061305 (1.61437)
|
|
|
|
Nlocal: 32000 ave 32000 max 32000 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
Nghost: 20131 ave 20131 max 20131 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
Neighs: 2.09236e+06 ave 2.09236e+06 max 2.09236e+06 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
|
|
Total # of neighbors = 2092355
|
|
Ave neighs/atom = 65.3861
|
|
Neighbor list builds = 5
|
|
Dangerous builds = 0
|