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) 1 by 1 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 = 1.84805 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 0.012748525 2.156691 0.073994939 28660.577 6000 2.1073993 0.0076701766 2.1127279 0.09765596 21544.211 7000 2.0845784 -0.002231208 2.080031 0.11014385 17791.281 8000 2.0649566 0.0033946644 2.0660569 0.12813955 15494.971 9000 2.0549341 0.0036407503 2.0562916 0.14677203 13871.133 10000 2.0533504 0.0061906109 2.0572595 0.16609325 12575.783 11000 2.0512293 0.0054299129 2.05438 0.18469361 11512.707 12000 2.0417414 0.012714586 2.0521874 0.20813515 10612.626 13000 2.0340554 0.024863066 2.0566584 0.23789399 9831.2233 14000 2.0227138 0.031383229 2.0518496 0.26672609 9192.1178 15000 2.0461217 0.01108123 2.0549295 0.26343875 8634.5676 16000 2.0458851 0.0096312089 2.0532431 0.28019349 8142.3052 17000 2.0277001 0.025551945 2.050999 0.31081974 7748.6641 18000 2.0214721 0.032250275 2.0514763 0.33102736 7396.8201 19000 2.0363924 0.016941587 2.0510713 0.33406483 7060.7629 20000 2.0310397 0.023344929 2.0521279 0.35924735 6790.0327 21000 2.022195 0.033750346 2.0536984 0.39278369 6553.9448 22000 2.0125755 0.044598473 2.0549377 0.46764457 6324.4162 23000 2.0062096 0.049106575 2.0530871 0.45440086 6120.7099 24000 2.0179886 0.039373042 2.0551194 0.49940564 5909.9566 25000 2.0332507 0.025245421 2.0562369 0.45330345 5738.0889 26000 1.9964095 0.063580029 2.0577713 0.54097144 5578.2387 27000 2.0244455 0.038598397 2.0607945 0.52231996 5434.0327 28000 1.9938911 0.067766733 2.0594424 0.61091823 5292.7262 29000 2.0218405 0.036999202 2.0565932 0.5311977 5203.3778 30000 2.0207832 0.046760682 2.0652986 0.56610538 5070.3386 31000 1.9912351 0.078697601 2.0677202 0.6322967 4965.1486 32000 2.0238381 0.047492236 2.0690816 0.63381363 4835.9878 33000 2.039799 0.026525862 2.0640584 0.53285022 4759.8217 34000 2.0174621 0.057105551 2.0723261 0.64467755 4670.3864 35000 2.0063359 0.066058747 2.0701654 0.69838429 4569.2775 36000 2.0235751 0.051897263 2.073224 0.72690959 4489.1412 37000 1.9919056 0.082155679 2.0718481 0.76989663 4425.5319 38000 2.0165145 0.054900127 2.0691741 0.71506922 4363.1001 39000 1.9914799 0.086534981 2.0758021 0.72573846 4295.6077 40000 2.021673 0.056008458 2.0754352 0.79323316 4230.918 41000 1.9991577 0.079224104 2.0761605 0.82959064 4176.1378 42000 2.0345579 0.049727153 2.0820245 0.76689891 4104.6621 43000 2.0198238 0.065055122 2.0826347 0.76350704 4053.1909 44000 2.0317758 0.055399257 2.0849176 0.81303541 4004.6782 45000 1.9768996 0.1069946 2.0816976 1.0368321 3965.6941 46000 2.0239006 0.068426868 2.0900787 0.82654301 3917.9121 47000 1.9974829 0.09160171 2.0868652 0.98260215 3875.9397 48000 2.0075343 0.086776604 2.0920804 1.0407931 3838.6358 49000 2.0377514 0.056590997 2.0920782 0.83309295 3806.7174 50000 1.9745583 0.1268781 2.0992424 1.0900442 3755.5166 Loop time of 14.0181 on 1 procs for 50000 steps with 900 atoms Pair time (%) = 7.4275 (52.9851) Neigh time (%) = 1.43155 (10.2122) Comm time (%) = 0.323036 (2.30442) Outpt time (%) = 0.34462 (2.4584) Other time (%) = 4.49138 (32.0399) Nlocal: 900 ave 900 max 900 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 541 ave 541 max 541 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 5974 ave 5974 max 5974 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 5974 Ave neighs/atom = 6.63778 Neighbor list builds = 2779 Dangerous builds = 0