LAMMPS (1 Feb 2014) # Big colloid particles and small LJ particles units lj atom_style sphere 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 MPI processor grid create_atoms 1 box Created 900 atoms set group all type/fraction 2 0.96 23984 861 settings made for type/fraction set type 1 mass 9 39 settings made for mass set type 2 mass 1 861 settings made for mass 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 1000 dump.colloid #dump 2 all image 1000 image.*.jpg type type # zoom 1.5 center d 0.5 0.5 0.5 #dump_modify 2 pad 5 adiam 1 5.0 adiam 2 1.5 #dump 3 all movie 1000 movie.mpg type type # zoom 1.5 center d 0.5 0.5 0.5 #dump_modify 3 pad 5 adiam 1 5.0 adiam 2 1.5 thermo_style custom step temp epair etotal press vol thermo 1000 timestep 0.005 run 50000 Memory usage per processor = 2.96579 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 0.0076702433 2.1127279 0.097655997 21544.211 7000 2.084579 -0.0022304831 2.0800323 0.11014552 17791.284 8000 2.0677538 0.00059800188 2.0660543 0.12718796 15494.44 9000 2.0545977 0.0064465732 2.0587614 0.15002732 13864.665 10000 2.0482054 0.010661731 2.0565913 0.17497885 12553.11 11000 2.0360539 0.022283053 2.0560747 0.18608443 11469.573 12000 2.0488819 0.012601482 2.0592068 0.20752397 10547.355 13000 2.0307724 0.027945421 2.0564614 0.23492616 9791.6008 14000 2.0291712 0.024760645 2.0516772 0.25749445 9166.0223 15000 2.0421329 0.011858836 2.0517227 0.26019128 8645.5059 16000 2.0321296 0.023089154 2.0529608 0.30100779 8173.8988 17000 2.0339883 0.020841935 2.0525702 0.31937035 7749.9866 18000 2.0165994 0.039101369 2.0534601 0.33206939 7399.5633 19000 2.0174571 0.03075954 2.045975 0.37582663 7115.1621 20000 2.0235743 0.033645074 2.054971 0.37789661 6779.655 21000 2.0086918 0.052575979 2.0590359 0.47587927 6468.3757 22000 2.0186512 0.035185664 2.0515939 0.39489244 6270.2423 23000 2.0159704 0.037209936 2.0509404 0.42372164 6090.2568 24000 2.0262103 0.034411154 2.0583702 0.46377965 5878.6019 25000 2.0136031 0.040396972 2.0517627 0.49998462 5706.6657 26000 2.0118123 0.04348596 2.0530629 0.52601904 5555.535 27000 2.0483861 0.010622163 2.0567323 0.46408289 5439.3763 28000 1.9775694 0.0880593 2.0634314 0.60451974 5303.7986 29000 2.0161573 0.051647461 2.0655645 0.55856521 5154.8346 30000 2.0154349 0.045614723 2.0588102 0.55640547 5067.2252 31000 2.0264636 0.042015926 2.0662279 0.58323212 4966.2146 32000 1.9946148 0.074464523 2.0668631 0.64405663 4840.3505 33000 2.016998 0.046624054 2.0613809 0.6520715 4765.5247 34000 2.0086574 0.060996501 2.067422 0.6530397 4666.4569 35000 2.0203252 0.05402663 2.0721071 0.69134002 4595.6514 36000 2.0271451 0.041489394 2.0663822 0.65114797 4526.2978 37000 2.0183469 0.064565854 2.0806701 0.70724758 4446.6465 38000 2.0049133 0.065280115 2.0679658 0.76328332 4389.5655 39000 2.0254497 0.05173788 2.0749371 0.75604831 4332.6535 40000 2.0019046 0.080413589 2.0800938 0.78175962 4254.5071 41000 2.0246809 0.05297341 2.0754047 0.77404015 4193.7093 42000 2.0254595 0.058651302 2.0818603 0.81823656 4135.9705 43000 2.0007241 0.083353246 2.0818543 0.82002543 4082.2245 44000 1.994415 0.089912333 2.0821113 0.98373573 4051.5787 45000 2.0130937 0.07986583 2.0907228 0.97054142 3991.453 46000 1.9997536 0.094509733 2.0920414 0.90955799 3926.3675 47000 2.0026833 0.086980098 2.0874382 1.1140455 3885.3495 48000 2.0217273 0.077640083 2.0971211 0.94719095 3829.7776 49000 1.9778606 0.11563852 2.0913015 1.1107597 3798.5114 50000 2.038067 0.060063696 2.0958661 1.0030415 3763.2003 Loop time of 8.766 on 1 procs for 50000 steps with 900 atoms Pair time (%) = 4.14446 (47.2788) Neigh time (%) = 1.10557 (12.612) Comm time (%) = 0.423719 (4.83366) Outpt time (%) = 0.000560045 (0.00638883) Other time (%) = 3.09169 (35.2691) Nlocal: 900 ave 900 max 900 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 515 ave 515 max 515 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 5990 ave 5990 max 5990 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 5990 Ave neighs/atom = 6.65556 Neighbor list builds = 3145 Dangerous builds = 0 Please see the log.cite file for references relevant to this simulation