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lammps/examples/USER/atc/hardy/eam_unistrain_qsphere.screen
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LAMMPS (12 Jan 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)
1 by 1 by 1 MPI processor grid
Created 4896 atoms
4608 atoms in group internal
Constructing ATC transfer (hardy)
atomPE compute created with ID: 3
ATC:: created FEM Mesh with 40 Global Nodes, 10 Unique Nodes, and 9 Elements
Setting up run ...
ATC:: computing bond matrix ..........done
ATC:: computing kernel matrix ..........done
ATC:: conversion factor for energy/vol -> stress 1.60218e+06
ATC:: cutoff radius 4.95
Memory usage per processor = 8.83292 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 0.0626481 on 1 procs for 1 steps with 4896 atoms
Pair time (%) = 0.020453 (32.6474)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000185966 (0.296843)
Outpt time (%) = 8.2016e-05 (0.130915)
Other time (%) = 0.0419271 (66.9248)
Nlocal: 4896 ave 4896 max 4896 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 6120 ave 6120 max 6120 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 130032 ave 130032 max 130032 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 260064 ave 260064 max 260064 min
Histogram: 1 0 0 0 0 0 0 0 0 0
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
Setting up run ...
ATC:: conversion factor for energy/vol -> stress 1.60218e+06
ATC:: cutoff radius 4.95
Memory usage per processor = 9.13809 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 0.182941 on 1 procs for 1 steps with 4896 atoms
Pair time (%) = 0.0202801 (11.0856)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000152826 (0.0835386)
Outpt time (%) = 6.50883e-05 (0.0355788)
Other time (%) = 0.162443 (88.7953)
Nlocal: 4896 ave 4896 max 4896 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 6120 ave 6120 max 6120 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 130032 ave 130032 max 130032 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 260064 ave 260064 max 260064 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 260064
Ave neighs/atom = 53.1176
Neighbor list builds = 0
Dangerous builds = 0
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