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) 1 by 1 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 = 1.50473 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 -0.00055303189 2.0373053 0.074449455 27116.088 6000 1.9976914 0.0074115979 2.0017735 0.096914589 20386.028 7000 1.9983723 0.0036979337 1.9987396 0.11352975 16956.776 8000 1.9915215 0.015325051 2.0035274 0.13427318 14870.472 9000 2.0013903 0.010272573 2.0083272 0.15672322 13407.529 10000 2.0146415 -0.0021407461 2.009143 0.16517555 12233.484 11000 1.9916467 0.0061066643 1.994434 0.18129828 11189.037 12000 1.98785 0.019810319 2.0043473 0.21980579 10263.222 13000 2.0127132 0.0088877002 2.0182464 0.21501025 9491.7009 14000 1.9913332 0.027995115 2.0160095 0.29260961 8836.5762 15000 2.011823 0.014284134 2.0227541 0.2875531 8274.3305 16000 2.0107622 0.011449596 2.0188606 0.30513433 7838.3386 17000 1.9980983 0.018919479 2.0136877 0.30831644 7458.3796 18000 2.0006615 0.02010257 2.0174296 0.33711019 7101.9718 19000 2.0146677 0.018388754 2.0296986 0.38350473 6824.606 20000 1.991312 0.042232971 2.0302261 0.40707294 6563.9843 21000 2.0208539 0.0094531214 2.0269389 0.39661249 6295.8677 22000 1.9909141 0.038902855 2.0264988 0.43460586 6066.4294 23000 2.005339 0.024497042 2.0264938 0.42002103 5898.8857 24000 1.9812291 0.04602497 2.023952 0.46678213 5730.1522 25000 2.0064116 0.030650951 2.0337185 0.478538 5527.8418 26000 1.9865132 0.061319527 2.0445218 0.52290425 5355.6377 27000 2.0013895 0.038637962 2.0366918 0.52759689 5227.2617 28000 1.9940928 0.037916944 2.0286863 0.52180257 5100.6314 29000 1.9946357 0.036831074 2.0281424 0.56925044 4943.6745 30000 1.9919808 0.033232657 2.0218935 0.6555772 4803.268 31000 1.9532441 0.074836486 2.0248252 0.61929321 4736.9445 32000 2.0194145 0.02267509 2.0387239 0.59196318 4676.905 33000 1.9982419 0.037190451 2.0321019 0.61844932 4593.3009 34000 2.0105117 0.033623411 2.0407843 0.63550924 4489.0435 35000 2.0088788 0.044076555 2.0496073 0.68122455 4369.1336 36000 1.9986335 0.05798169 2.0532841 0.72126511 4278.5347 37000 1.9817447 0.076628479 2.0550703 0.82568475 4228.7256 38000 2.0355107 0.03663577 2.068754 0.69994646 4168.2216 39000 1.9813989 0.077642991 2.0557395 0.74712271 4108.7097 40000 2.02985 0.018054949 2.0445219 0.73244199 4053.749 41000 1.9980839 0.041648523 2.0364022 0.8918399 4003.826 42000 1.9957137 0.061952166 2.0543397 0.82718027 3922.9382 43000 2.0095254 0.043542722 2.0497189 0.86824556 3858.6497 44000 1.9897663 0.061999495 2.0484495 0.78993338 3806.2668 45000 1.9877427 0.072335929 2.0567657 0.85855742 3762.6739 46000 2.013597 0.05214842 2.0623894 0.87845503 3735.9028 47000 1.9939167 0.0648104 2.0554039 0.82658529 3706.4343 48000 2.0205894 0.045267254 2.062489 0.87730466 3658.3005 49000 1.9641292 0.088922667 2.0497783 0.98253029 3582.148 50000 2.0000443 0.059295597 2.0560065 0.96488274 3540.7444 Loop time of 13.4223 on 1 procs for 50000 steps with 900 atoms Pair time (%) = 7.80901 (58.1795) Neigh time (%) = 1.61124 (12.0042) Comm time (%) = 0.398404 (2.96823) Outpt time (%) = 0.316924 (2.36118) Other time (%) = 3.28671 (24.4869) Nlocal: 900 ave 900 max 900 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 559 ave 559 max 559 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 6061 ave 6061 max 6061 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 6061 Ave neighs/atom = 6.73444 Neighbor list builds = 2793 Dangerous builds = 0