LAMMPS (27 Mar 2011) # 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 = 2.20285 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 2.1073992 0.0076702482 2.1127279 0.097655994 21544.211 7000 2.0845788 -0.0022301947 2.0800324 0.1101457 17791.284 8000 2.0651397 0.0033390713 2.0661842 0.12822835 15494.655 9000 2.0578744 0.0021876274 2.0577755 0.14877329 13860.573 10000 2.050871 0.0074002268 2.0559924 0.16711807 12582.351 11000 2.0393903 0.02180458 2.0589289 0.21757395 11491.106 12000 2.0417078 0.014064648 2.0535038 0.21091044 10565.52 13000 2.0453265 0.0142046 2.0572586 0.23958431 9773.8989 14000 2.0241495 0.030159631 2.05206 0.25409138 9178.076 15000 2.0352822 0.019352462 2.0523732 0.26816816 8601.8792 16000 2.0396728 0.013649097 2.0510556 0.2897209 8117.7222 17000 2.0021829 0.051638556 2.0515968 0.35978072 7694.4722 18000 2.0323755 0.021980006 2.0520973 0.33886022 7331.3619 19000 2.012523 0.039400171 2.049687 0.38829143 7030.9065 20000 2.0210256 0.032912604 2.0516927 0.4026689 6790.5438 21000 2.0347446 0.019902556 2.0523864 0.4007124 6532.5107 22000 2.0264802 0.027247056 2.0514756 0.41874743 6310.6473 23000 2.0284647 0.030679317 2.0568901 0.4253006 6110.0448 24000 1.9937762 0.06381727 2.0553781 0.49092603 5923.5093 25000 2.0353922 0.027248288 2.0603789 0.45091442 5737.0476 26000 2.0237478 0.037618141 2.0591174 0.53619978 5562.6505 27000 2.0242618 0.033821875 2.0558345 0.4959782 5460.2661 28000 2.0482322 0.01320251 2.0591589 0.44939498 5345.4687 29000 2.0287333 0.03621241 2.0626916 0.55562251 5180.2806 30000 2.0040988 0.059211727 2.0610838 0.61808251 5068.541 31000 2.0042212 0.061798172 2.0637924 0.64370526 4957.2604 32000 2.0245435 0.035546139 2.0578402 0.59067342 4872.1932 33000 1.9919557 0.078345663 2.0680881 0.68910022 4765.4334 34000 2.0262779 0.047027618 2.0710541 0.65966618 4657.8074 35000 1.9912139 0.080509163 2.0695106 0.69023472 4598.459 36000 2.0190325 0.053614947 2.0704041 0.67782728 4531.4932 37000 2.0131766 0.063296775 2.0742365 0.74369947 4450.7232 38000 2.0192742 0.059523787 2.0765544 0.72790998 4369.6931 39000 2.0259464 0.057405211 2.0811006 0.76212505 4290.5877 40000 2.0257778 0.050559606 2.0740865 0.75709818 4241.812 41000 2.0210186 0.056870746 2.0756437 0.76054223 4186.8833 42000 1.9726145 0.10828461 2.0787073 0.96623593 4130.8878 43000 2.0163335 0.068098169 2.0821913 0.7724108 4088.3897 44000 1.9702837 0.11909487 2.0871894 0.978469 4023.8067 45000 2.003942 0.090213491 2.0919289 0.92974367 3981.7386 46000 2.0200434 0.069364002 2.0871629 0.8297056 3926.0172 47000 2.041283 0.050439502 2.0894544 0.84552678 3880.6095 48000 2.0172704 0.082594045 2.097623 0.97243304 3823.5355 49000 2.0208893 0.082783178 2.101427 0.97976434 3742.0596 50000 1.9739277 0.11636826 2.0881027 1.0449823 3710.4102 Loop time of 14.2309 on 1 procs for 50000 steps with 900 atoms Pair time (%) = 7.41369 (52.0957) Neigh time (%) = 1.58633 (11.1471) Comm time (%) = 0.34565 (2.42887) Outpt time (%) = 0.344466 (2.42055) Other time (%) = 4.54078 (31.9079) Nlocal: 900 ave 900 max 900 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 585 ave 585 max 585 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 6048 ave 6048 max 6048 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 6048 Ave neighs/atom = 6.72 Neighbor list builds = 3124 Dangerous builds = 0