forked from lijiext/lammps
85 lines
3.0 KiB
Groff
85 lines
3.0 KiB
Groff
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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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 id 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 0.39335419 -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 -2.8019061 0.19532181 -2.3829095 0.18067142
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2000 0.39019938 -2.791487 0.22407032 -2.4032386 -0.40913655
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2500 0.40224095 -2.8137807 0.24277042 -2.413551 -0.33778399
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3000 0.44632277 -2.8672265 0.25164835 -2.4231354 -0.25576105
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3500 0.4432157 -2.8411608 0.23181147 -2.4001612 0.15436814
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4000 0.44769666 -2.8058266 0.20268507 -2.3603684 -0.19325037
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4500 0.4083207 -2.794909 0.23319104 -2.3886299 -0.33056832
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5000 0.41605559 -2.7950083 0.23056902 -2.381033 -0.11636534
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5500 0.39800996 -2.7563727 0.21348825 -2.3603528 0.32159845
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6000 0.41794449 -2.7546054 0.20084766 -2.3387507 -0.14424528
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6500 0.46839585 -2.7910708 0.18425578 -2.3250169 0.20606571
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7000 0.46549651 -2.8340552 0.23848623 -2.3708862 -0.230894
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7500 0.436404 -2.7754711 0.22025208 -2.3412491 -0.25640279
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8000 0.42518482 -2.7767444 0.24151659 -2.3536855 0.015171613
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8500 0.44334828 -2.7679607 0.22577669 -2.3268292 -0.1165612
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9000 0.47920815 -2.8293467 0.25604423 -2.3525346 -0.072740596
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9500 0.44353037 -2.7942649 0.2653616 -2.3529522 -0.026026025
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10000 0.42566109 -2.7383343 0.22352654 -2.3148016 -0.11109703
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Loop time of 1.82761 on 1 procs for 10000 steps with 200 atoms
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Pair time (%) = 1.45973 (79.8709)
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Neigh time (%) = 0.0487831 (2.66923)
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Comm time (%) = 0.0792513 (4.33633)
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Outpt time (%) = 0.0331209 (1.81225)
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Other time (%) = 0.206726 (11.3113)
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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: 153 ave 153 max 153 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 1639 ave 1639 max 1639 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 1639
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Ave neighs/atom = 8.195
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Neighbor list builds = 683
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Dangerous builds = 0
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