forked from lijiext/lammps
85 lines
3.0 KiB
Groff
85 lines
3.0 KiB
Groff
LAMMPS (10 Sep 2010)
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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 0.18067142
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2000 0.39019888 -2.7914865 0.22407033 -2.4032386 -0.40913106
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2500 0.4023511 -2.81393 0.24280405 -2.4135906 -0.33881491
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3000 0.38615692 -2.818646 0.26460202 -2.4344198 -0.0079725577
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3500 0.42122454 -2.8127945 0.23501007 -2.3936761 -0.12887917
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4000 0.44161593 -2.8007801 0.20799836 -2.3613722 -0.079523244
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4500 0.4231261 -2.7826844 0.22673018 -2.361674 -0.55083706
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5000 0.4440514 -2.799822 0.22995936 -2.3579908 -0.28425958
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5500 0.45033043 -2.7886448 0.21727591 -2.340566 0.0059789839
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6000 0.45676909 -2.8007108 0.23936573 -2.3462256 0.12294031
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6500 0.52050628 -2.8509712 0.2362808 -2.3330675 -0.22427307
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7000 0.41855625 -2.8254088 0.31121935 -2.4089453 -0.48809423
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7500 0.36025589 -2.7101495 0.25308278 -2.3516949 -0.29426489
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8000 0.44494177 -2.7665688 0.23326231 -2.3238517 -0.57748114
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8500 0.4336595 -2.7378567 0.2235799 -2.3063655 0.030370416
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9000 0.41942743 -2.6901214 0.19875084 -2.2727911 0.18043421
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9500 0.42853326 -2.7396334 0.23748738 -2.3132428 -0.01076467
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10000 0.46672835 -2.7582561 0.22673928 -2.2938614 -0.16751321
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Loop time of 0.777034 on 4 procs for 10000 steps with 200 atoms
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Pair time (%) = 0.361231 (46.4885)
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Neigh time (%) = 0.0126839 (1.63235)
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Comm time (%) = 0.278711 (35.8686)
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Outpt time (%) = 0.0235458 (3.03021)
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Other time (%) = 0.100862 (12.9804)
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Nlocal: 50 ave 56 max 41 min
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Histogram: 1 0 0 0 0 1 0 0 1 1
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Nghost: 87.5 ave 91 max 85 min
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Histogram: 1 1 0 0 0 1 0 0 0 1
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Neighs: 411.25 ave 502 max 304 min
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Histogram: 1 0 0 0 1 0 0 1 0 1
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Total # of neighbors = 1645
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Ave neighs/atom = 8.225
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Neighbor list builds = 686
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Dangerous builds = 0
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