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lammps/examples/colloid/log.colloid.22Jun07.liberty.4
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LAMMPS (22 June 2007)
# Big colloid particles and small LJ particles
units lj
atom_style atomic
dimension 2
lattice sq 0.01
Lattice spacing in x,y,z = 10 10 10
region box block 0 30 0 30 -0.5 0.5
create_box 2 box
Created orthogonal box = (0 0 -5) to (300 300 5)
2 by 2 by 1 processor grid
create_atoms 1 box
Created 900 atoms
set group all type/fraction 2 0.96 23984
868 settings made for type/fraction
mass 1 9
mass 2 1
velocity all create 1.44 87287 loop geom
# multi neighbor and comm for efficiency
neighbor 1 multi
neigh_modify delay 0
communicate multi
# colloid potential
pair_style colloid 12.5
pair_coeff 1 1 1.0 1.0 5.0 5.0 12.5
pair_coeff 1 2 5.0 1.0 5.0 0.0 7.0
pair_coeff 2 2 10.0 1.0 0.0 0.0 2.5
fix 1 all npt 2.0 2.0 1.0 xyz 0.0 1.0 10.0 drag 1.0
fix 2 all enforce2d
dump 1 all atom 200 dump.colloid
thermo_style custom step temp epair etotal press vol
thermo 1000
timestep 0.005
run 10000
Memory usage per processor = 1.45054 Mbytes
Step Temp E_pair TotEng Press Volume
0 1.44 0 1.4376 0.0009584 900000
1000 1.8470142 0.0048357172 1.8487715 0.017163086 74830.331
2000 1.9719939 0.18486401 2.1535713 0.79205274 4710.4215
3000 1.8512583 0.19478206 2.0429549 1.2638229 3348.993
4000 2.0197762 0.085599862 2.1020098 0.44423307 6289.5217
5000 2.1100188 0.066582351 2.1730844 0.30071147 7797.8952
6000 2.122322 0.080537323 2.1993221 0.47114461 5829.3235
7000 2.0053017 0.17924225 2.1812018 0.82372251 4418.5393
8000 1.9850765 0.16081341 2.1425814 0.86380905 4218.1246
9000 2.0229633 0.14063325 2.1602249 0.8620141 4223.7169
10000 2.0133665 0.16380502 2.173816 0.95385436 3995.0006
Loop time of 4.86636 on 4 procs for 10000 steps with 900 atoms
Pair time (%) = 1.32706 (27.27)
Neigh time (%) = 0.274084 (5.63221)
Comm time (%) = 1.98481 (40.7863)
Outpt time (%) = 0.0898068 (1.84546)
Other time (%) = 1.1906 (24.466)
Nlocal: 225 ave 232 max 218 min
Histogram: 1 0 0 0 0 2 0 0 0 1
Nghost: 411.5 ave 428 max 388 min
Histogram: 1 0 0 0 1 0 0 0 0 2
Neighs: 2307 ave 2410 max 2183 min
Histogram: 1 0 1 0 0 0 0 0 0 2
Total # of neighbors = 9228
Ave neighs/atom = 10.2533
Neighbor list builds = 773
Dangerous builds = 0
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