forked from lijiext/lammps
85 lines
3.0 KiB
Groff
85 lines
3.0 KiB
Groff
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LAMMPS (7 Jul 2009)
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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/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 id 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 erot TotEng Press
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0 0 -2.1909822 0 -2.1909822 -2.5750971
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500 0.39335419 -2.7940623 0.20683255 -2.4026749 -0.24768899
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1000 0.45259485 -2.8743423 0.22311811 -2.4240104 -0.14864606
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1500 0.42110221 -2.8019062 0.19532181 -2.3829095 0.18067141
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2000 0.39019976 -2.7914874 0.22407032 -2.4032386 -0.40914007
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2500 0.40241808 -2.8139368 0.24273185 -2.4135308 -0.33901435
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3000 0.44385073 -2.8841206 0.26820527 -2.4424891 -0.18771873
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3500 0.40763888 -2.7874455 0.21859172 -2.3818448 -0.29939179
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4000 0.39572137 -2.7952047 0.23890334 -2.4014619 0.027516282
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4500 0.41553629 -2.8105294 0.2415374 -2.3970708 -0.33163763
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5000 0.41009757 -2.8264839 0.26796144 -2.4184368 -0.38798947
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5500 0.39502429 -2.764152 0.22551462 -2.3711028 0.002263633
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6000 0.38537876 -2.7007538 0.17808354 -2.3173019 -0.46257213
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6500 0.42543297 -2.7860038 0.22453846 -2.362698 -0.15771205
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7000 0.43880567 -2.7970302 0.22155414 -2.3604186 0.098904992
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7500 0.44080761 -2.8269059 0.25209777 -2.3883023 0.050555327
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8000 0.46644829 -2.7870585 0.2011672 -2.3229425 -0.20128046
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8500 0.46039525 -2.7485378 0.17706199 -2.2904445 0.0076338169
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9000 0.44947678 -2.7651501 0.21406142 -2.3179207 0.21879322
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9500 0.43844845 -2.7552635 0.21757253 -2.3190073 -0.47705223
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10000 0.48023546 -2.8308225 0.25467828 -2.3529882 0.1533682
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Loop time of 4.18289 on 4 procs for 10000 steps with 200 atoms
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Pair time (%) = 0.441261 (10.5492)
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Neigh time (%) = 0.0162298 (0.388005)
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Comm time (%) = 2.90346 (69.4129)
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Outpt time (%) = 0.0493791 (1.1805)
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Other time (%) = 0.772553 (18.4694)
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Nlocal: 50 ave 58 max 45 min
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Histogram: 2 0 0 0 1 0 0 0 0 1
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Nghost: 92.75 ave 96 max 89 min
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Histogram: 1 0 0 0 0 2 0 0 0 1
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Neighs: 416.5 ave 517 max 360 min
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Histogram: 2 0 0 0 1 0 0 0 0 1
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Total # of neighbors = 1666
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Ave neighs/atom = 8.33
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Neighbor list builds = 673
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Dangerous builds = 0
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