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lammps/examples/USER/openmp/log.dipole
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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 1 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 1 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 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 = 2.40709 Mbytes
Step Temp E_pair erot TotEng Press
0 0 -2.178622 0 -2.178622 -2.562119
500 0.36688879 -2.7755154 0.21403629 -2.4087413 -0.38681508
1000 0.40425759 -2.8046654 0.20856648 -2.4005342 -0.14106187
1500 0.41293889 -2.8141243 0.21108148 -2.4013144 -0.12977998
2000 0.41231561 -2.806553 0.21047 -2.3943663 -0.16387998
2500 0.42615243 -2.8200798 0.2160809 -2.3940605 -0.077511627
3000 0.42508064 -2.8191057 0.22439429 -2.3941579 -0.059233756
3500 0.43509817 -2.8188102 0.21730703 -2.383848 -0.029975948
4000 0.43592158 -2.8266013 0.23260654 -2.390816 -0.096619649
4500 0.43095955 -2.8142679 0.22989941 -2.383443 -0.15587195
5000 0.43636803 -2.8131934 0.22904652 -2.3769617 -0.040225338
5500 0.44844211 -2.8136236 0.22368974 -2.3653216 0.090483564
6000 0.44261065 -2.795768 0.21787859 -2.3532957 0.12042835
6500 0.43674753 -2.8002305 0.23621441 -2.3636194 -0.024381095
7000 0.43664113 -2.7875499 0.22994752 -2.3510452 -0.084449238
7500 0.43824426 -2.7771572 0.22542392 -2.3390499 -0.11952406
8000 0.45472793 -2.7881104 0.22539734 -2.3335246 -0.071372859
8500 0.45948038 -2.7988437 0.23623733 -2.339507 -0.049997099
9000 0.45704462 -2.7963804 0.24284138 -2.3394786 -0.098011643
9500 0.46209912 -2.797785 0.24426829 -2.3358302 -0.019833689
10000 0.46225413 -2.7893962 0.24446622 -2.3272865 0.011888694
Loop time of 6.31824 on 4 procs / 1 threads for 10000 steps with 3200 atoms
Pair time (%) = 4.47101 (70.7636)
Neigh time (%) = 0.218914 (3.46479)
Comm time (%) = 0.535696 (8.47857)
Outpt time (%) = 0.419746 (6.64341)
Other time (%) = 0.672866 (10.6496)
Nlocal: 800 ave 858 max 753 min
Histogram: 1 0 1 0 0 1 0 0 0 1
Nghost: 276.5 ave 295 max 252 min
Histogram: 1 0 0 0 0 1 1 0 0 1
Neighs: 6714.75 ave 7299 max 6284 min
Histogram: 1 1 0 0 1 0 0 0 0 1
Total # of neighbors = 26859
Ave neighs/atom = 8.39344
Neighbor list builds = 846
Dangerous builds = 0
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