LAMMPS (10 Sep 2010) # 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 861 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 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 = 1.72729 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 2.1073954 0.0076740495 2.1127279 0.0976574 21544.21 7000 2.0843824 -0.0020103233 2.0800561 0.11035975 17791.25 8000 2.0722812 -0.0055341093 2.0644446 0.1258002 15497.017 9000 2.0522409 0.0093070316 2.0592676 0.15067871 13886.344 10000 2.0479022 0.010202901 2.0558297 0.17098883 12621.592 11000 2.0380647 0.022149294 2.0579495 0.21289456 11513.93 12000 2.0325651 0.026302255 2.056609 0.25050503 10615.642 13000 2.0331572 0.023671803 2.05457 0.25207081 9861.9599 14000 2.0342067 0.019413601 2.0513601 0.24041021 9216.2616 15000 2.0332615 0.022775757 2.0537781 0.28291892 8634.8141 16000 2.0329345 0.020980606 2.0516563 0.29807127 8155.8981 17000 2.039188 0.014286071 2.0512083 0.30687321 7746.2435 18000 2.0452159 0.0092634432 2.0522068 0.31683468 7396.277 19000 2.0158626 0.035217228 2.04884 0.36610312 7082.1419 20000 2.0284664 0.032953766 2.0591663 0.39281877 6770.9589 21000 2.0226606 0.035814093 2.0562273 0.39437998 6521.4776 22000 2.0130135 0.040365662 2.0511425 0.44121773 6325.4746 23000 2.015032 0.04394302 2.0567361 0.45044797 6110.0623 24000 2.0242073 0.035871997 2.0578302 0.45322663 5904.7342 25000 2.0270024 0.035017804 2.059768 0.49773835 5697.3918 26000 2.002438 0.059035413 2.0592485 0.51121477 5547.7333 27000 2.0161827 0.040874692 2.0548172 0.52409916 5428.5263 28000 2.0221465 0.040780109 2.0606798 0.52891624 5265.4809 29000 1.9909985 0.070412989 2.0591993 0.57485997 5105.1236 30000 1.9936857 0.06411566 2.0555861 0.60206458 5028.4694 31000 2.0360818 0.026357606 2.0601771 0.51359522 4964.9556 32000 2.0140985 0.055233213 2.0670939 0.63839514 4848.1212 33000 1.9837082 0.07873748 2.0602416 0.71715999 4765.2405 34000 1.9966603 0.069959523 2.0644013 0.71341915 4682.4238 35000 2.0117471 0.056956101 2.066468 0.67375821 4631.0618 36000 2.0176258 0.062029231 2.0774132 0.74425024 4524.0425 37000 2.0152405 0.064303766 2.0773051 0.68581066 4425.9873 38000 1.9985654 0.081975898 2.0783207 0.7704637 4345.3174 39000 1.9858687 0.087849129 2.0715113 0.77585184 4288.3463 40000 2.0206318 0.05532156 2.0737082 0.78638075 4244.9796 41000 2.0193318 0.062817577 2.0799057 0.78429167 4167.5733 42000 2.0092077 0.071029098 2.0780044 0.7768825 4116.8138 43000 2.0153309 0.067818727 2.0809104 0.74734758 4079.7086 44000 2.0195532 0.065247754 2.082557 0.9316374 4026.2843 45000 1.9802241 0.10409164 2.0821154 0.96663918 3998.3262 46000 1.9854496 0.1075189 2.0907625 1.021584 3927.3112 47000 2.0432354 0.054434623 2.0953998 0.87230417 3861.9993 48000 2.0013528 0.092780712 2.0919098 0.96849477 3817.8083 49000 1.983561 0.10735506 2.0887121 1.0283904 3787.8018 50000 2.0011289 0.094204701 2.0931101 0.99135562 3764.0292 Loop time of 6.56245 on 4 procs for 50000 steps with 900 atoms Pair time (%) = 1.86456 (28.4126) Neigh time (%) = 0.363108 (5.53311) Comm time (%) = 1.97777 (30.1376) Outpt time (%) = 0.247797 (3.77598) Other time (%) = 2.10922 (32.1408) Nlocal: 225 ave 246 max 210 min Histogram: 1 0 0 2 0 0 0 0 0 1 Nghost: 310.25 ave 330 max 296 min Histogram: 1 0 1 0 1 0 0 0 0 1 Neighs: 1520.75 ave 1622 max 1353 min Histogram: 1 0 0 0 0 0 0 2 0 1 Total # of neighbors = 6083 Ave neighs/atom = 6.75889 Neighbor list builds = 2794 Dangerous builds = 0