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lammps/examples/dipole/log.dipole.9Jan12.linux.4
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LAMMPS (10 Jan 2012)
# Point dipoles in a 2d box
units lj
atom_style hybrid sphere 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 MPI processor grid
create_atoms 1 box
Created 200 atoms
# need both mass settings due to hybrid atom style
mass 1 1.0
set group all mass 1.0
200 settings made for mass
set group all dipole/random 98934 0.75
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 = 3.28129 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 0.39019968 -2.7914873 0.22407029 -2.4032386 -0.4091395
2500 0.40237391 -2.8138968 0.24276582 -2.4135348 -0.33901619
3000 0.42595202 -2.8621684 0.26812111 -2.4383462 -0.19493812
3500 0.41153448 -2.8070419 0.23860803 -2.397565 -0.032395966
4000 0.40867238 -2.7790568 0.22331133 -2.3724278 0.014462986
4500 0.39803378 -2.7718651 0.23536245 -2.3758215 -0.25429533
5000 0.42736901 -2.8476039 0.2824171 -2.4223718 0.12187395
5500 0.41115816 -2.7810177 0.24508517 -2.3719153 -0.1925336
6000 0.43184788 -2.8015292 0.24726776 -2.3718406 -0.014489672
6500 0.45955478 -2.8340069 0.26105652 -2.3767499 -0.16015969
7000 0.43826613 -2.7488226 0.20031236 -2.3127478 0.071480756
7500 0.45738321 -2.7892162 0.23337255 -2.3341199 -0.17245012
8000 0.46107991 -2.7322063 0.18569571 -2.2734318 -0.21563894
8500 0.40367385 -2.7623279 0.27023252 -2.3606724 -0.038576129
9000 0.43104207 -2.7672424 0.25452132 -2.3383555 0.044351007
9500 0.38924411 -2.7231541 0.24926613 -2.3358562 -0.21910634
10000 0.44421944 -2.7677489 0.23376321 -2.3257506 0.034770807
Loop time of 0.446674 on 4 procs for 10000 steps with 200 atoms
Pair time (%) = 0.213113 (47.7111)
Neigh time (%) = 0.00897831 (2.01004)
Comm time (%) = 0.149779 (33.532)
Outpt time (%) = 0.0130295 (2.91701)
Other time (%) = 0.0617741 (13.8298)
Nlocal: 50 ave 55 max 41 min
Histogram: 1 0 0 0 0 0 1 0 0 2
Nghost: 87.75 ave 92 max 78 min
Histogram: 1 0 0 0 0 0 0 1 0 2
Neighs: 415 ave 481 max 301 min
Histogram: 1 0 0 0 0 0 1 0 0 2
Total # of neighbors = 1660
Ave neighs/atom = 8.3
Neighbor list builds = 671
Dangerous builds = 0
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