mirror of https://github.com/lammps/lammps.git
84 lines
2.9 KiB
Groff
84 lines
2.9 KiB
Groff
LAMMPS (22 Jan 2008)
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# Point dipoles in a 2d box
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units lj
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atom_style dipole
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dimension 2
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lattice sq2 0.7
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Lattice spacing in x,y,z = 1.69031 1.69031 1.69031
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region box block 0 10 0 10 -0.5 0.5
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create_box 1 box
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Created orthogonal box = (0 0 -0.845154) to (16.9031 16.9031 0.845154)
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2 by 2 by 1 processor grid
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create_atoms 1 box
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Created 200 atoms
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mass 1 1.0
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shape 1 1 1 1
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dipole 1 0.75
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set group all dipole/random 98934
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200 settings made for dipole/random
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velocity all create 0.0 87287 mom no
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pair_style dipole/cut 2.5
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pair_coeff * * 1.0 1.0
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neighbor 0.3 bin
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neigh_modify delay 0
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fix 1 all nve/dipole
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fix 2 all enforce2d
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timestep 0.005
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thermo_style dipole
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thermo 500
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dump 1 all custom 200 dump.dipole tag type x y z mux muy muz
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run 10000
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Memory usage per processor = 2.55191 Mbytes
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Step Temp E_pair RotKEdip TotEng Press
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0 0 -2.1909822 0 -2.1909822 -2.5750971
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500 0.34233475 -2.7418258 0.24173184 -2.4020585 -0.8249727
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1000 0.40850608 -2.8229537 0.27293115 -2.4175114 -0.38840717
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1500 0.46270972 -2.8375913 0.2276923 -2.3783519 -0.53206031
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2000 0.42704811 -2.8139804 0.24400489 -2.3901351 0.25133976
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2500 0.40325733 -2.8042036 0.25911523 -2.4039707 -0.13768351
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3000 0.45063306 -2.8607567 0.27045037 -2.4135034 -0.37718214
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3500 0.42668399 -2.8200273 0.25159644 -2.3965435 -0.2446625
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4000 0.38793379 -2.7984855 0.29313805 -2.4134612 -0.085904856
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4500 0.39414808 -2.7972983 0.3023501 -2.4061063 -0.1483928
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5000 0.43541363 -2.7938176 0.24062138 -2.3616696 0.16044322
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5500 0.53988257 -2.8823448 0.24421771 -2.3465113 0.14220621
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6000 0.50251988 -2.8270371 0.23327585 -2.3282861 -0.12637044
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6500 0.42508207 -2.7997548 0.30176493 -2.3778609 -0.016170475
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7000 0.40603126 -2.7515392 0.28132311 -2.3485531 -0.2059805
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7500 0.48430095 -2.8009045 0.2458131 -2.3202358 0.10495345
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8000 0.48530036 -2.8505581 0.30952827 -2.3688975 -0.092482458
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8500 0.40693493 -2.7151281 0.25468919 -2.3112452 -0.43234161
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9000 0.44411326 -2.7437233 0.25238223 -2.3029409 0.17321304
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9500 0.44360073 -2.7891931 0.33550072 -2.3489194 -0.34093083
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10000 0.46949085 -2.7619603 0.27094222 -2.2959906 0.06991871
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Loop time of 4.8123 on 4 procs for 10000 steps with 200 atoms
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Pair time (%) = 0.457601 (9.50898)
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Neigh time (%) = 0.0173309 (0.360137)
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Comm time (%) = 3.3977 (70.6044)
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Outpt time (%) = 0.0532327 (1.10618)
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Other time (%) = 0.886439 (18.4203)
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Nlocal: 50 ave 53 max 45 min
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Histogram: 1 0 0 0 0 0 1 0 1 1
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Nghost: 88.75 ave 92 max 84 min
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Histogram: 1 0 0 0 0 0 1 1 0 1
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Neighs: 411.5 ave 439 max 344 min
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Histogram: 1 0 0 0 0 0 0 0 1 2
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Total # of neighbors = 1646
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Ave neighs/atom = 8.23
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Neighbor list builds = 690
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Dangerous builds = 0
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