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