2
Lattice spacing in x,y,z = 3.615 3.615 3.615
3
Created orthogonal box = (-65.07 -10.845 -10.845) to (65.07 10.845 10.845)
4
4 by 1 by 1 MPI processor grid
6
4608 atoms in group internal
7
ATC: constructing kernel field estimate
9
ATC: peratom PE compute created with ID: 3
10
ATC: created uniform mesh with 40 nodes, 10 unique nodes, and 9 elements
12
ATC: Warning: Using native lammps partitioning
13
ATC: computing bond matrix ..........done
14
Memory usage per processor = 34.3603 Mbytes
15
Step PotEng KinEng Press Lx Ly Lz
16
0 -17256.022 0 -2117.8338 130.14 21.69 21.69
17
1 -17256.022 0 -2117.8338 130.14 21.69 21.69
18
Loop time of 0.00502104 on 4 procs for 1 steps with 4896 atoms
20
Pair time (%) = 0.00451404 (89.9025)
21
Neigh time (%) = 0 (0)
22
Comm time (%) = 0.000368595 (7.34102)
23
Outpt time (%) = 7.65324e-05 (1.52423)
24
Other time (%) = 6.18696e-05 (1.23221)
26
Nlocal: 1224 ave 1296 max 1152 min
27
Histogram: 2 0 0 0 0 0 0 0 0 2
28
Nghost: 2259 ave 2592 max 1926 min
29
Histogram: 2 0 0 0 0 0 0 0 0 2
30
Neighs: 32508 ave 34992 max 29952 min
31
Histogram: 2 0 0 0 0 0 0 0 0 2
32
FullNghs: 65016 ave 69984 max 60048 min
33
Histogram: 2 0 0 0 0 0 0 0 0 2
35
Total # of neighbors = 260064
36
Ave neighs/atom = 53.1176
37
Neighbor list builds = 0
40
ATC: Warning : text output can create _LARGE_ files
41
ATC: output custom names:
44
ATC: Warning: Using native lammps partitioning
45
ATC: computing bond matrix ..........done
46
Memory usage per processor = 34.3603 Mbytes
47
Step PotEng KinEng Press Lx Ly Lz
48
1 -17252.771 0 -14787.592 130.14 21.69 21.69
49
ATC: Warning: Using native lammps partitioning
50
2 -17252.771 0 -14787.592 130.14 21.69 21.69
51
Loop time of 0.0564872 on 4 procs for 1 steps with 4896 atoms
53
Pair time (%) = 0.00467855 (8.28249)
54
Neigh time (%) = 0 (0)
55
Comm time (%) = 0.000373602 (0.661392)
56
Outpt time (%) = 0.000627637 (1.11111)
57
Other time (%) = 0.0508074 (89.945)
59
Nlocal: 1224 ave 1296 max 1152 min
60
Histogram: 2 0 0 0 0 0 0 0 0 2
61
Nghost: 2259 ave 2592 max 1926 min
62
Histogram: 2 0 0 0 0 0 0 0 0 2
63
Neighs: 32508 ave 34992 max 29952 min
64
Histogram: 2 0 0 0 0 0 0 0 0 2
65
FullNghs: 65016 ave 69984 max 60048 min
66
Histogram: 2 0 0 0 0 0 0 0 0 2
68
Total # of neighbors = 260064
69
Ave neighs/atom = 53.1176
70
Neighbor list builds = 0
2
--------------------------------------------------------------------------
3
mpirun was unable to launch the specified application as it could not access
4
or execute an executable:
6
Executable: ../../../lmp_openmpi
9
while attempting to start process rank 0.
10
--------------------------------------------------------------------------
11
4 total processes failed to start