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lammps/examples/USER/openmp/log.dipole-omp
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LAMMPS (5 Jun 2010-ICMS)
# 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 20 0 20 -0.5 0.5
create_box 1 box
Created orthogonal box = (0 0 -0.845154) to (33.8062 33.8062 0.845154)
2 by 2 by 1 processor grid
using 2 OpenMP thread(s) per MPI task
create_atoms 1 box
Created 800 atoms
replicate 2 2 1
orthogonal box = (0 0 -0.845154) to (67.6123 67.6123 0.845154)
2 by 2 by 1 processor grid
using 2 OpenMP thread(s) per MPI task
3200 atoms
mass 1 1.0
shape 1 1 1 1
dipole 1 0.75
set group all dipole/random 98934
3200 settings made for dipole/random
velocity all create 0.0 87287 mom no
pair_style dipole/cut/omp 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 = 2.40723 Mbytes
Step Temp E_pair erot TotEng Press
0 0 -2.1448314 0 -2.1448314 -2.562119
500 0.36688879 -2.6927587 0.21403629 -2.3259845 -0.38681508
1000 0.40425759 -2.7419404 0.20856648 -2.3378092 -0.14106187
1500 0.41293889 -2.7479276 0.21108148 -2.3351177 -0.12977998
2000 0.41231551 -2.7292205 0.21046997 -2.3170338 -0.16388145
2500 0.42613415 -2.7514635 0.21610239 -2.3254625 -0.077610213
3000 0.42988684 -2.7435486 0.22306915 -2.3137961 -0.056360161
3500 0.43505902 -2.7452527 0.21884283 -2.3103296 -0.010656291
4000 0.4357785 -2.7660064 0.23575396 -2.3303641 -0.026685036
4500 0.43344318 -2.7318169 0.21947253 -2.2985092 -0.089756673
5000 0.43967968 -2.7562401 0.22648738 -2.3166978 -0.016939055
5500 0.444132 -2.7665343 0.23269697 -2.3225411 0.031566792
6000 0.44418727 -2.7338101 0.23166337 -2.2897616 0.021574203
6500 0.45264607 -2.7128885 0.22814194 -2.2603839 -0.015112304
7000 0.44564258 -2.7411712 0.23630612 -2.2956679 -0.078788562
7500 0.44311248 -2.7054003 0.22838151 -2.2624263 -0.025546361
8000 0.45649639 -2.7171987 0.22760014 -2.260845 -0.024017756
8500 0.44817828 -2.7208697 0.22445249 -2.2728315 -0.040195771
9000 0.42969941 -2.685532 0.23511554 -2.2559668 -0.05495203
9500 0.44165306 -2.7056831 0.22881537 -2.264168 -0.05335514
10000 0.45581243 -2.6999692 0.22498667 -2.2442992 -0.044784965
Loop time of 4.02818 on 4 procs / 2 threads for 10000 steps with 3200 atoms
Pair time (%) = 2.27997 (56.6004)
Neigh time (%) = 0.216352 (5.37094)
Comm time (%) = 0.578659 (14.3653)
Outpt time (%) = 0.267123 (6.63135)
Other time (%) = 0.686081 (17.032)
Nlocal: 800 ave 827 max 773 min
Histogram: 1 0 1 0 0 0 0 1 0 1
Nghost: 269.75 ave 289 max 252 min
Histogram: 1 0 0 1 0 1 0 0 0 1
Neighs: 6605.75 ave 6917 max 6264 min
Histogram: 1 0 0 1 0 0 0 1 0 1
Total # of neighbors = 26423
Ave neighs/atom = 8.25719
Neighbor list builds = 845
Dangerous builds = 0
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