30 lines
987 B
Groff
30 lines
987 B
Groff
LAMMPS (22 Jul 2014)
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Lattice spacing in x,y,z = 4.43 4.43 4.43
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Created orthogonal box = (0 0 0) to (88.6 88.6 88.6)
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1 by 2 by 2 MPI processor grid
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Created 32000 atoms
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Setting up run ...
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Memory usage per processor = 4.70961 Mbytes
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Step Temp E_pair E_mol TotEng Press
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0 200 -741.55469 0 85.684388 -34.939092
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100 108.37517 -362.56658 0 85.694308 3963.7892
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Loop time of 5.90028 on 4 procs for 100 steps with 32000 atoms
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Pair time (%) = 3.60006 (61.0151)
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Neigh time (%) = 0.647729 (10.9779)
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Comm time (%) = 1.53499 (26.0156)
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Outpt time (%) = 0.000967205 (0.0163925)
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Other time (%) = 0.116533 (1.97503)
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Nlocal: 8000 ave 8010 max 7989 min
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Histogram: 1 0 0 0 0 2 0 0 0 1
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Nghost: 9240.25 ave 9249 max 9228 min
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Histogram: 1 0 0 0 1 0 0 0 0 2
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Neighs: 555266 ave 555920 max 554805 min
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Histogram: 2 0 0 0 0 1 0 0 0 1
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Total # of neighbors = 2221065
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Ave neighs/atom = 69.4083
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Neighbor list builds = 5
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Dangerous builds = 0
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