LAMMPS (10 Jan 2012) # Big colloid particles and small LJ particles units lj atom_style sphere 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 MPI processor grid create_atoms 1 box Created 900 atoms set group all type/fraction 2 0.96 23984 861 settings made for type/fraction set type 1 mass 9 39 settings made for mass set type 2 mass 1 861 settings made for mass 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 temp 2.0 2.0 1.0 iso 0.0 1.0 10.0 drag 1.0 mtk no pchain 0 tchain 1 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 50000 Memory usage per processor = 2.87079 Mbytes Step Temp E_pair TotEng Press Volume 0 1.44 -2.2136534e-06 1.4383978 0.014383923 90000 1000 1.9558819 -0.00044998322 1.9532587 0.01784589 99146.35 2000 2.0558568 0.011295331 2.0648679 0.021858185 96654.425 3000 2.1809647 0.0091754217 2.1877168 0.031294876 68756.47 4000 2.1960934 0.0028186107 2.1964719 0.049318667 42974.984 5000 2.1463273 0.01274853 2.156691 0.07399494 28660.577 6000 2.1073955 0.0076739854 2.1127279 0.09765736 21544.21 7000 2.084383 -0.002011532 2.0800555 0.11035732 17791.249 8000 2.0697462 -0.0035908236 2.0638557 0.12727264 15495.564 9000 2.0565713 0.005100289 2.0593865 0.14847835 13885.03 10000 2.0498621 0.0063267281 2.0539112 0.15879624 12601.99 11000 2.0438679 0.018955755 2.0605527 0.18959409 11490.646 12000 2.053458 0.0044167998 2.0555932 0.19336438 10572.921 13000 2.0429256 0.013698073 2.0543538 0.21707695 9791.7501 14000 2.0132501 0.042422704 2.0534359 0.27926827 9147.46 15000 2.0501152 0.0064708164 2.0543081 0.25954559 8659.5624 16000 2.0371395 0.017291634 2.0521676 0.27240923 8172.3226 17000 2.0267747 0.025623672 2.0501464 0.32046495 7767.5953 18000 2.0422824 0.014182115 2.0541954 0.30856342 7387.0945 19000 2.002713 0.050847562 2.0513354 0.3943075 7044.3881 20000 2.028578 0.02503956 2.0513636 0.35569094 6770.0283 21000 2.0222359 0.033814924 2.0538039 0.42126528 6523.5394 22000 2.0312713 0.024739786 2.0537541 0.41123899 6289.3329 23000 1.9999306 0.055831167 2.0535396 0.46845747 6092.6534 24000 2.0082371 0.050865049 2.0568708 0.45467368 5945.5344 25000 2.0184402 0.039542114 2.0557396 0.46077228 5776.9458 26000 2.0197538 0.046732692 2.0642423 0.57349226 5587.6764 27000 2.0225605 0.036043629 2.0563569 0.48998661 5465.5575 28000 2.0282806 0.029362245 2.0553892 0.46801488 5344.7841 29000 2.025716 0.035993945 2.0594592 0.53066607 5238.028 30000 2.0121673 0.054545747 2.0644773 0.62001526 5107.2201 31000 2.0208128 0.048119988 2.0666874 0.54439146 4994.3653 32000 2.0272104 0.045076806 2.0700348 0.63197584 4872.4903 33000 2.0107761 0.060072558 2.0686144 0.63025398 4766.141 34000 1.9980266 0.075358195 2.0711648 0.67880824 4677.1269 35000 2.0253327 0.048362443 2.0714448 0.64004324 4599.5201 36000 2.0118504 0.058973713 2.0685888 0.67459858 4529.9483 37000 2.0104548 0.065481203 2.0737022 0.80781793 4463.1985 38000 2.0125078 0.066003564 2.0762752 0.78305688 4377.6954 39000 2.0174905 0.063736966 2.0789858 0.70398438 4293.5819 40000 2.0275434 0.05243574 2.0777263 0.78595198 4236.8235 41000 1.9680044 0.10509725 2.070915 0.84301968 4224.0137 42000 2.0169009 0.071278882 2.0859388 0.78081027 4160.3455 43000 2.0404682 0.05026415 2.0884652 0.75914083 4061.9873 44000 2.016673 0.068784573 2.0832168 0.80476991 3996.8686 45000 1.9857998 0.10014888 2.0837422 0.90863992 3939.2325 46000 2.0071737 0.075441094 2.0803846 0.86595933 3918.6894 47000 2.0371945 0.055594532 2.0905255 0.88572726 3889.3681 48000 1.9981195 0.097729669 2.093629 1.0507251 3846.1939 49000 2.0047164 0.089245076 2.091734 0.96126669 3809.5319 50000 2.0028203 0.1069487 2.1075437 1.0114594 3741.7317 Loop time of 4.07413 on 4 procs for 50000 steps with 900 atoms Pair time (%) = 1.10861 (27.2108) Neigh time (%) = 0.293286 (7.19874) Comm time (%) = 0.97903 (24.0304) Outpt time (%) = 0.13185 (3.23627) Other time (%) = 1.56136 (38.3238) Nlocal: 225 ave 241 max 200 min Histogram: 1 0 0 0 0 0 1 1 0 1 Nghost: 301 ave 311 max 289 min Histogram: 1 0 0 0 1 0 0 1 0 1 Neighs: 1463 ave 1565 max 1310 min Histogram: 1 0 0 0 0 0 1 1 0 1 Total # of neighbors = 5852 Ave neighs/atom = 6.50222 Neighbor list builds = 3126 Dangerous builds = 0