LAMMPS (18 Feb 2013) # 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 1000 dump.colloid #dump 1 all image 1000 image.*.jpg type type # zoom 1.5 center d 0.5 0.5 0.5 #dump_modify 1 pad 5 adiam 1 5.0 adiam 2 1.5 thermo_style custom step temp epair etotal press vol thermo 1000 timestep 0.005 run 50000 Memory usage per processor = 2.8708 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 0.0076740311 2.112728 0.097657373 21544.21 7000 2.0843684 -0.001996932 2.0800555 0.11036967 17791.247 8000 2.0640518 0.0014998478 2.0632583 0.1290879 15498.836 9000 2.0466103 0.010705612 2.0550419 0.15352798 13893.115 10000 2.0318438 0.028356097 2.0579423 0.18270659 12603.157 11000 2.0483114 0.011317082 2.0573526 0.18793572 11521.407 12000 2.0465451 0.011178196 2.0554494 0.20917582 10593.908 13000 2.0339418 0.020973133 2.052655 0.22462811 9837.666 14000 2.0352875 0.021186021 2.054212 0.25973065 9169.0201 15000 2.0397627 0.016745562 2.0542419 0.26379715 8580.3575 16000 2.0306726 0.019939485 2.0483558 0.30415554 8135.4142 17000 2.0303715 0.023425678 2.0515413 0.29717285 7732.4398 18000 2.0091196 0.046353117 2.0532404 0.4201013 7321.9473 19000 2.0069004 0.044794224 2.0494648 0.37207191 7008.5252 20000 2.0293906 0.02286811 2.0500038 0.37743862 6770.2412 21000 2.0151565 0.035150252 2.0480677 0.42245372 6563.7655 22000 1.9931286 0.061233296 2.0521473 0.44215378 6387.0047 23000 2.0095257 0.04877004 2.0560629 0.4359382 6146.7894 24000 2.0244673 0.041537999 2.0637559 0.47433783 5904.2578 25000 2.0411374 0.014657985 2.0535275 0.42934196 5714.3163 26000 2.0101343 0.048931921 2.0568327 0.58433419 5557.1491 27000 2.010355 0.044833431 2.0529547 0.53172163 5441.607 28000 2.0075626 0.056527165 2.0618592 0.54811055 5312.0333 29000 2.0279913 0.036953425 2.0626914 0.53888357 5165.8026 30000 2.0014479 0.062210877 2.0614349 0.61283256 5028.4409 31000 2.0072038 0.060184255 2.0651578 0.62321627 4918.8388 32000 2.0250392 0.043276173 2.0660653 0.61454026 4822.6538 33000 2.0225382 0.041253335 2.0615443 0.61742775 4746.3484 34000 2.0079979 0.060100013 2.0658668 0.7196627 4668.3612 35000 1.9869444 0.081389753 2.0661264 0.69301002 4630.1772 36000 2.0080612 0.068966773 2.0747968 0.75807989 4524.4316 37000 2.016828 0.059785388 2.0743725 0.73797084 4436.8809 38000 1.9923438 0.084178865 2.074309 0.83179043 4358.5286 39000 2.0144256 0.058962222 2.0711496 0.72841391 4318.0019 40000 2.0205458 0.063834805 2.0821355 0.79611444 4233.3053 41000 1.9895557 0.088139599 2.0754847 0.77982219 4183.6801 42000 1.9862976 0.097665639 2.0817562 0.9527169 4136.6273 43000 1.9845679 0.10838021 2.0907431 0.84567001 4063.3971 44000 2.0058015 0.079068928 2.0826418 0.87879853 4013.8417 45000 2.01267 0.072607353 2.083041 0.84521964 3983.104 46000 2.0028119 0.088952749 2.0895393 0.86809738 3907.9426 47000 2.0219141 0.069213747 2.0888813 0.88288894 3868.029 48000 1.9820914 0.1111149 2.091004 1.0650645 3812.8502 49000 2.0161896 0.077389897 2.0913393 0.94940244 3771.6873 50000 2.0216994 0.071211384 2.0906645 0.99837694 3771.8545 Loop time of 3.74849 on 4 procs for 50000 steps with 900 atoms Pair time (%) = 1.1053 (29.4865) Neigh time (%) = 0.286503 (7.64317) Comm time (%) = 0.876681 (23.3876) Outpt time (%) = 0.000933409 (0.0249009) Other time (%) = 1.47907 (39.4578) Nlocal: 225 ave 251 max 199 min Histogram: 1 0 1 0 0 0 0 1 0 1 Nghost: 295.25 ave 304 max 283 min Histogram: 1 0 0 0 0 1 0 1 0 1 Neighs: 1477.25 ave 1684 max 1286 min Histogram: 1 0 1 0 0 0 1 0 0 1 Total # of neighbors = 5909 Ave neighs/atom = 6.56556 Neighbor list builds = 3138 Dangerous builds = 0