forked from lijiext/lammps
53 lines
1.3 KiB
Groff
53 lines
1.3 KiB
Groff
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LAMMPS (29 Jun 2012)
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# DPD benchmark
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units lj
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atom_style atomic
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communicate single vel yes
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lattice fcc 3.0
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Lattice spacing in x,y,z = 1.10064 1.10064 1.10064
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region box block 0 20 0 20 0 20
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create_box 1 box
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Created orthogonal box = (0 0 0) to (22.0128 22.0128 22.0128)
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1 by 1 by 1 MPI processor grid
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create_atoms 1 box
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Created 32000 atoms
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mass 1 1.0
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velocity all create 1.0 87287 loop geom
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pair_style dpd 1.0 1.0 928948
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pair_coeff 1 1 25.0 4.5
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neighbor 0.5 bin
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neigh_modify delay 0 every 1
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fix 1 all nve
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timestep 0.04
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run 100
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Memory usage per processor = 11.134 Mbytes
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Step Temp E_pair E_mol TotEng Press
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0 1 3.6872574 0 5.1872105 28.880274
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100 1.0246036 4.5727353 0 6.1095927 23.859969
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Loop time of 3.91185 on 1 procs for 100 steps with 32000 atoms
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Pair time (%) = 1.94669 (49.7639)
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Neigh time (%) = 1.80933 (46.2524)
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Comm time (%) = 0.0754168 (1.92791)
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Outpt time (%) = 0.00010705 (0.00273656)
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Other time (%) = 0.0803113 (2.05303)
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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: 14981 ave 14981 max 14981 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 660587 ave 660587 max 660587 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 660587
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Ave neighs/atom = 20.6433
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Neighbor list builds = 50
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Dangerous builds = 0
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