LAMMPS (5 Oct 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) 2 by 2 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 50000 Memory usage per processor = 1.38397 Mbytes Step Temp E_pair TotEng Press Volume 0 1.44 0 1.4376 0.014376 90000 1000 1.7229304 -0.00015669053 1.7199022 0.015318085 100904.47 2000 1.9967588 0.0020777128 1.9955085 0.018297171 98746.175 3000 2.1202073 0.00084628342 2.1175199 0.028086414 68843.26 4000 2.1015115 0.0038976621 2.1019067 0.049667096 41498.626 5000 2.0412605 -0.00055303273 2.0373053 0.074449455 27116.088 6000 1.9976923 0.0074104772 2.0017732 0.096914266 20386.029 7000 1.9985387 0.0036033736 1.9988111 0.1134532 16956.875 8000 1.9968131 0.0066191941 2.0001043 0.13936849 14856.781 9000 2.0116478 0.0091279265 2.017423 0.14943756 13350.258 10000 1.995529 0.021846474 2.0140496 0.1797053 12161.967 11000 2.0007913 0.0083610476 2.0058177 0.19355061 11180.478 12000 1.9990215 0.012442077 2.0081319 0.21432955 10258.03 13000 2.0119162 0.0097697341 2.0183328 0.24344379 9488.4097 14000 2.0071517 0.01123161 2.015038 0.26617291 8851.9854 15000 2.0164599 0.0043535711 2.0174527 0.26327727 8337.1228 16000 1.9939211 0.018284721 2.0088826 0.28639791 7868.2338 17000 1.9994696 0.0139029 2.01004 0.31146407 7435.9099 18000 2.0105768 0.022014389 2.0292402 0.37565593 7107.63 19000 2.0241137 0.017983125 2.0387233 0.35000991 6845.2682 20000 2.0027231 0.025233952 2.0246191 0.41714655 6588.2364 21000 2.0139047 0.015929062 2.0264773 0.39101346 6322.3272 22000 2.0188343 0.019474932 2.0349445 0.40689058 6067.8792 23000 1.9968998 0.017049306 2.0106209 0.42441698 5885.9917 24000 1.9913995 0.022023169 2.0101037 0.49276546 5713.8287 25000 2.0282271 0.0010811866 2.0259279 0.43846627 5535.1617 26000 1.99007 0.037451308 2.0242046 0.51153606 5374.4974 27000 2.0032103 0.02793327 2.0278049 0.53287006 5246.9824 28000 2.0012016 0.031183734 2.02905 0.49026667 5103.936 29000 1.9921192 0.033101665 2.0219007 0.56679853 4945.3262 30000 2.0112942 0.028974887 2.0369169 0.59607886 4811.7925 31000 2.0068077 0.033866848 2.0373299 0.57936336 4720.1126 32000 1.9796234 0.062198621 2.0385226 0.66287681 4636.0262 33000 2.0008592 0.037115927 2.0346403 0.64171308 4542.6751 34000 2.0312988 0.019280094 2.0471934 0.60599935 4444.4538 35000 1.998235 0.048493255 2.0433979 0.69883437 4366.7212 36000 2.0108358 0.036898896 2.0443833 0.8189753 4304.603 37000 2.0193723 0.035454333 2.051461 0.71428244 4229.3292 38000 1.9977656 0.053908975 2.048345 0.74599208 4168.8054 39000 1.9910258 0.053411944 2.0411194 1.0020227 4135.5413 40000 2.0068958 0.062820555 2.0663716 0.7380476 4077.369 41000 2.0151378 0.044268277 2.0560475 0.7815389 3971.5744 42000 1.9899084 0.06823508 2.054827 0.88353238 3899.603 43000 1.995483 0.054557002 2.0467142 0.87798264 3861.8059 44000 1.9672099 0.065595401 2.0295266 1.0402091 3811.7046 45000 1.991365 0.046768622 2.0348147 0.86054084 3788.9404 46000 1.9565876 0.079004276 2.0323309 1.0350984 3725.8947 47000 2.0092594 0.057752764 2.0636634 0.83469987 3652.7366 48000 2.014792 0.046218596 2.0576526 0.9098087 3628.3485 49000 2.0035173 0.065852566 2.0660307 0.94870248 3574.256 50000 2.0196028 0.065457163 2.0816939 0.92720759 3546.5336 Loop time of 31.5797 on 4 procs for 50000 steps with 900 atoms Pair time (%) = 2.09001 (6.61822) Neigh time (%) = 0.416893 (1.32013) Comm time (%) = 16.7082 (52.9078) Outpt time (%) = 0.340365 (1.0778) Other time (%) = 12.0243 (38.076) Nlocal: 225 ave 241 max 214 min Histogram: 1 1 0 0 1 0 0 0 0 1 Nghost: 320 ave 340 max 303 min Histogram: 1 0 0 1 1 0 0 0 0 1 Neighs: 1494 ave 1550 max 1375 min Histogram: 1 0 0 0 0 0 0 1 0 2 Total # of neighbors = 5976 Ave neighs/atom = 6.64 Neighbor list builds = 2762 Dangerous builds = 0