forked from lijiext/lammps
34 lines
1.1 KiB
Groff
34 lines
1.1 KiB
Groff
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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 1 by 1 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 = 9.43789 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 3.79746 on 1 procs for 100 steps with 32000 atoms
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Pair time (%) = 3.18686 (83.9207)
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Neigh time (%) = 0.524724 (13.8178)
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Comm time (%) = 0.0244031 (0.642616)
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Outpt time (%) = 0.000174046 (0.00458321)
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Other time (%) = 0.061305 (1.61437)
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Nlocal: 32000 ave 32000 max 32000 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Nghost: 20131 ave 20131 max 20131 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 2.09236e+06 ave 2.09236e+06 max 2.09236e+06 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 2092355
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Ave neighs/atom = 65.3861
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Neighbor list builds = 5
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Dangerous builds = 0
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