LAMMPS (22 Jan 2008) # 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 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 = 1.84805 Mbytes Step Temp E_pair TotEng Press Volume 0 1.44 -2.2136534e-06 1.4375978 0.014375923 90000 1000 1.7223464 0.00099729506 1.7204731 0.015431199 101039.13 2000 1.9986619 0.00075906115 1.9960899 0.018607661 99018.745 3000 2.1174664 0.0023215952 2.1162589 0.029169081 68947.872 4000 2.0922515 0.0027117962 2.0914762 0.048247413 41709.954 5000 2.0457094 -0.0017934808 2.0405064 0.069440615 27252.713 6000 2.0094249 -0.0030357548 2.0030401 0.095318346 20437.896 7000 1.9791016 0.015378539 1.9911816 0.12201039 16963.981 8000 2.0037567 0.00087754405 2.0012947 0.13624715 14904.297 9000 1.9954986 0.0074776387 1.9996504 0.15437139 13466.422 10000 2.0017119 0.0090860936 2.0074618 0.15967653 12285.361 11000 1.9965885 0.020076864 2.0133378 0.20431975 11226.299 12000 1.9893265 0.029138936 2.0151499 0.22508119 10359.215 13000 2.0096277 0.0055549561 2.0118333 0.23118708 9650.1073 14000 1.9874756 0.025360954 2.009524 0.25223651 9022.125 15000 1.9818513 0.036888053 2.0154362 0.3116855 8475.2794 16000 1.9928816 0.018897335 2.0084574 0.30081232 8067.2389 17000 1.9990591 0.025240285 2.0209676 0.30592349 7632.1957 18000 2.0101337 0.01582473 2.0226082 0.35986446 7250.9935 19000 2.0091976 0.019233907 2.0250828 0.33919836 6974.9737 20000 2.0064131 0.017623877 2.020693 0.35420372 6745.1629 21000 1.9971779 0.023499432 2.0173487 0.40913112 6504.8686 22000 1.9899433 0.036716791 2.0233435 0.46792355 6249.486 23000 2.0165042 0.030701843 2.0438452 0.43797608 6047.9924 24000 2.0162136 0.034428645 2.0472819 0.45591758 5884.7421 25000 2.0127204 0.035477231 2.0448431 0.5131322 5698.5164 26000 2.0187252 0.017160139 2.0325208 0.43758584 5558.1903 27000 1.9830248 0.049563853 2.0292837 0.56069898 5409.6546 28000 2.0189391 0.019264404 2.0348386 0.48027834 5284.0336 29000 1.9713776 0.050692614 2.0187846 0.61025529 5173.3555 30000 1.9819168 0.039816462 2.0184301 0.63355537 5059.7477 31000 1.9957876 0.045223147 2.0376844 0.60945681 4940.036 32000 2.0208255 0.028176971 2.0456344 0.62584685 4820.4303 33000 2.0103751 0.039181534 2.046206 0.69487302 4753.2781 34000 1.9959594 0.061461733 2.0540945 0.611319 4671.1011 35000 1.9843152 0.063438307 2.0444463 0.67227839 4580.8853 36000 2.0187362 0.029117024 2.0444886 0.67437268 4451.5952 37000 1.9767721 0.064543976 2.0380214 0.75641695 4386.7451 38000 2.0054158 0.038665525 2.040739 0.75284861 4340.2087 39000 2.0190605 0.028863116 2.0445585 0.72515667 4322.6267 40000 1.99241 0.056203851 2.0452932 0.77541878 4240.6248 41000 1.9794314 0.06647082 2.0426031 0.91929985 4161.9926 42000 2.0137404 0.050868342 2.0612525 0.76319297 4112.588 43000 2.0251176 0.041454389 2.0631968 0.8153631 4098.5268 44000 1.9931653 0.058795109 2.0486384 0.83341834 4025.7567 45000 1.992498 0.059944502 2.0491217 0.9195581 3949.158 46000 1.950407 0.087564106 2.0347204 1.0730912 3904.5945 47000 1.9829495 0.079781556 2.0594262 0.99133843 3840.5951 48000 2.0085408 0.051200913 2.0563942 0.91558928 3817.7264 49000 1.9929984 0.063176682 2.0528534 0.97184545 3811.188 50000 1.9924895 0.066841874 2.0560106 1.0256436 3768.1172 Loop time of 14.0171 on 1 procs for 50000 steps with 900 atoms Pair time (%) = 8.39109 (59.8632) Neigh time (%) = 1.62785 (11.6133) Comm time (%) = 0.380158 (2.7121) Outpt time (%) = 0.311819 (2.22456) Other time (%) = 3.3062 (23.5868) Nlocal: 900 ave 900 max 900 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 506 ave 506 max 506 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 6031 ave 6031 max 6031 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 6031 Ave neighs/atom = 6.70111 Neighbor list builds = 2778 Dangerous builds = 0