forked from lijiext/lammps
34 lines
1.1 KiB
Groff
34 lines
1.1 KiB
Groff
LAMMPS (15 May 2015)
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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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Neighbor list info ...
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1 neighbor list requests
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update every 1 steps, delay 0 steps, check yes
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master list distance cutoff = 8.45
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Setting up run ...
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Memory usage per processor = 4.58461 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 6.15911 on 4 procs for 100 steps with 32000 atoms
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Pair time (%) = 1.76201 (28.6083)
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Neigh time (%) = 0.265002 (4.30261)
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Comm time (%) = 3.64452 (59.1729)
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Outpt time (%) = 0.0169877 (0.275815)
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Other time (%) = 0.470582 (7.64042)
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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: 472273 ave 473390 max 471652 min
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Histogram: 2 0 0 1 0 0 0 0 0 1
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Total # of neighbors = 1889091
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Ave neighs/atom = 59.0341
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Neighbor list builds = 5
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Dangerous builds = 0
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