forked from lijiext/lammps
85 lines
3.0 KiB
Groff
85 lines
3.0 KiB
Groff
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LAMMPS (21 May 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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1 by 1 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/sphere update dipole
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fix 2 all enforce2d
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timestep 0.005
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compute erot all erotate/sphere
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thermo_style custom step temp epair c_erot etotal press
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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 = 2.56176 Mbytes
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Step Temp E_pair erot TotEng Press
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0 0 -2.1909822 0 -2.1909822 -2.5750971
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500 0.34147461 -2.7418258 0.19338547 -2.4020585 -0.8249727
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1000 0.40747968 -2.8229537 0.21834492 -2.4175114 -0.38840717
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1500 0.46154716 -2.8375913 0.18215373 -2.3783518 -0.53206048
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2000 0.4260216 -2.8138111 0.19511361 -2.3899196 0.25105158
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2500 0.46433558 -2.8605248 0.20450084 -2.3985109 -0.10749413
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3000 0.37036684 -2.7740526 0.22758113 -2.4055376 0.14916017
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3500 0.40204495 -2.7807076 0.21535453 -2.3806729 0.11443486
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4000 0.48414345 -2.8671661 0.22749713 -2.3854433 0.018686085
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4500 0.47100691 -2.824163 0.20797533 -2.3555111 -0.28502945
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5000 0.44520193 -2.8032518 0.21804415 -2.3602759 0.45640206
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5500 0.43822519 -2.8303277 0.26920423 -2.3942937 -0.38492346
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6000 0.42622278 -2.7949298 0.23879498 -2.3708381 -0.10124264
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6500 0.4806966 -2.8484234 0.24787183 -2.3701303 -0.12613324
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7000 0.4538584 -2.7937993 0.22316547 -2.3422102 -0.30300725
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7500 0.41925032 -2.76312 0.22603976 -2.3459659 -0.36661933
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8000 0.4445679 -2.8027613 0.24552024 -2.3604162 0.045204393
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8500 0.41376651 -2.7621404 0.23914419 -2.3504427 0.1157167
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9000 0.43955192 -2.7181551 0.19988038 -2.280801 -0.40091142
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9500 0.48346196 -2.7777386 0.22316491 -2.296694 -0.097144544
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10000 0.49780786 -2.7547088 0.2022762 -2.25939 0.077725534
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Loop time of 1.81301 on 1 procs for 10000 steps with 200 atoms
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Pair time (%) = 1.45147 (80.0584)
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Neigh time (%) = 0.0490155 (2.70354)
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Comm time (%) = 0.0771546 (4.25561)
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Outpt time (%) = 0.0313296 (1.72804)
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Other time (%) = 0.204043 (11.2544)
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Nlocal: 200 ave 200 max 200 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Nghost: 147 ave 147 max 147 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 1657 ave 1657 max 1657 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 1657
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Ave neighs/atom = 8.285
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Neighbor list builds = 693
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Dangerous builds = 0
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