2
Lattice spacing in x,y,z = 4.43 4.43 4.43
3
Created orthogonal box = (0 0 0) to (88.6 88.6 88.6)
4
1 by 1 by 1 MPI processor grid
7
Memory usage per processor = 9.43789 Mbytes
8
Step Temp E_pair E_mol TotEng Press
9
0 200 -741.55469 0 85.684388 -34.939092
10
100 108.37517 -362.56658 0 85.694308 3963.7892
11
Loop time of 4.75245 on 1 procs for 100 steps with 32000 atoms
13
Pair time (%) = 4.01667 (84.518)
14
Neigh time (%) = 0.625528 (13.1622)
15
Comm time (%) = 0.0258038 (0.542958)
16
Outpt time (%) = 0.000221968 (0.0046706)
17
Other time (%) = 0.0842211 (1.77216)
19
Nlocal: 32000 ave 32000 max 32000 min
20
Histogram: 1 0 0 0 0 0 0 0 0 0
21
Nghost: 20131 ave 20131 max 20131 min
22
Histogram: 1 0 0 0 0 0 0 0 0 0
23
Neighs: 2.09236e+06 ave 2.09236e+06 max 2.09236e+06 min
24
Histogram: 1 0 0 0 0 0 0 0 0 0
26
Total # of neighbors = 2092355
27
Ave neighs/atom = 65.3861
28
Neighbor list builds = 5