lammps/examples/dipole/log.dipole.7Jul09.linux.4

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LAMMPS (7 Jul 2009)
# Point dipoles in a 2d box
units lj
atom_style dipole
dimension 2
lattice sq2 0.7
Lattice spacing in x,y,z = 1.69031 1.69031 1.69031
region box block 0 10 0 10 -0.5 0.5
create_box 1 box
Created orthogonal box = (0 0 -0.845154) to (16.9031 16.9031 0.845154)
2 by 2 by 1 processor grid
create_atoms 1 box
Created 200 atoms
mass 1 1.0
shape 1 1 1 1
dipole 1 0.75
set group all dipole/random 98934
200 settings made for dipole/random
velocity all create 0.0 87287 mom no
pair_style dipole/cut 2.5
pair_coeff * * 1.0 1.0
neighbor 0.3 bin
neigh_modify delay 0
fix 1 all nve/sphere update dipole
fix 2 all enforce2d
timestep 0.005
compute erot all erotate/sphere
thermo_style custom step temp epair c_erot etotal press
thermo 500
dump 1 all custom 200 dump.dipole id type x y z mux muy muz
run 10000
Memory usage per processor = 2.55191 Mbytes
Step Temp E_pair erot TotEng Press
0 0 -2.1909822 0 -2.1909822 -2.5750971
500 0.39335419 -2.7940623 0.20683255 -2.4026749 -0.24768899
1000 0.45259485 -2.8743423 0.22311811 -2.4240104 -0.14864606
1500 0.42110221 -2.8019062 0.19532181 -2.3829095 0.18067141
2000 0.39019976 -2.7914874 0.22407032 -2.4032386 -0.40914007
2500 0.40241808 -2.8139368 0.24273185 -2.4135308 -0.33901435
3000 0.44385073 -2.8841206 0.26820527 -2.4424891 -0.18771873
3500 0.40763888 -2.7874455 0.21859172 -2.3818448 -0.29939179
4000 0.39572137 -2.7952047 0.23890334 -2.4014619 0.027516282
4500 0.41553629 -2.8105294 0.2415374 -2.3970708 -0.33163763
5000 0.41009757 -2.8264839 0.26796144 -2.4184368 -0.38798947
5500 0.39502429 -2.764152 0.22551462 -2.3711028 0.002263633
6000 0.38537876 -2.7007538 0.17808354 -2.3173019 -0.46257213
6500 0.42543297 -2.7860038 0.22453846 -2.362698 -0.15771205
7000 0.43880567 -2.7970302 0.22155414 -2.3604186 0.098904992
7500 0.44080761 -2.8269059 0.25209777 -2.3883023 0.050555327
8000 0.46644829 -2.7870585 0.2011672 -2.3229425 -0.20128046
8500 0.46039525 -2.7485378 0.17706199 -2.2904445 0.0076338169
9000 0.44947678 -2.7651501 0.21406142 -2.3179207 0.21879322
9500 0.43844845 -2.7552635 0.21757253 -2.3190073 -0.47705223
10000 0.48023546 -2.8308225 0.25467828 -2.3529882 0.1533682
Loop time of 4.18289 on 4 procs for 10000 steps with 200 atoms
Pair time (%) = 0.441261 (10.5492)
Neigh time (%) = 0.0162298 (0.388005)
Comm time (%) = 2.90346 (69.4129)
Outpt time (%) = 0.0493791 (1.1805)
Other time (%) = 0.772553 (18.4694)
Nlocal: 50 ave 58 max 45 min
Histogram: 2 0 0 0 1 0 0 0 0 1
Nghost: 92.75 ave 96 max 89 min
Histogram: 1 0 0 0 0 2 0 0 0 1
Neighs: 416.5 ave 517 max 360 min
Histogram: 2 0 0 0 1 0 0 0 0 1
Total # of neighbors = 1666
Ave neighs/atom = 8.33
Neighbor list builds = 673
Dangerous builds = 0