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lammps/examples/colloid/log.colloid.22Jun07.linux.1
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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)
1 by 1 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 = 1.47629 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 0.79205271 4710.4215
3000 1.8760117 0.16888745 2.0417724 1.2866805 3349.4362
4000 2.0084889 0.10591744 2.1110589 0.41080478 6315.195
5000 2.0845189 0.074837406 2.1558821 0.32123703 7787.3569
6000 2.0635646 0.12699208 2.1871174 0.55212245 5811.0643
7000 2.0511741 0.13194486 2.1797003 0.75534937 4447.7483
8000 2.0057569 0.14524464 2.1476586 0.93321505 4260.455
9000 1.9863917 0.16294985 2.1460309 0.85687596 4264.0791
10000 1.9867944 0.17403524 2.1575183 1.019418 3985.5163
Loop time of 13.1171 on 1 procs for 10000 steps with 900 atoms
Pair time (%) = 8.49344 (64.7507)
Neigh time (%) = 1.7079 (13.0204)
Comm time (%) = 0.409296 (3.12032)
Outpt time (%) = 0.224203 (1.70924)
Other time (%) = 2.28229 (17.3993)
Nlocal: 900 ave 900 max 900 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 648 ave 648 max 648 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 9057 ave 9057 max 9057 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 9057
Ave neighs/atom = 10.0633
Neighbor list builds = 777
Dangerous builds = 0
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