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) 2 by 2 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 = 1.72729 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 -0.0017934811 2.0405064 0.069440615 27252.713 6000 2.0094247 -0.0030357089 2.00304 0.095318361 20437.896 7000 1.9787517 0.015727213 1.991181 0.12210082 16963.98 8000 1.9983 0.0017433401 1.9967129 0.14165341 14903.677 9000 1.9927888 0.013406349 2.0028739 0.17008104 13468.549 10000 1.99929 0.011927067 2.0078849 0.18343491 12299.949 11000 2.0150846 0.00018121827 2.0119074 0.18478179 11314.797 12000 2.0039613 0.0083020972 2.0089234 0.22215222 10404.632 13000 2.0089431 0.00048942212 2.0060843 0.2159184 9598.2333 14000 1.9642202 0.03348398 1.9944305 0.29178119 8913.182 15000 1.9865717 0.028923917 2.0121846 0.29202685 8385.9226 16000 1.9824603 0.021603392 2.0007596 0.35043111 7979.2443 17000 2.0212495 0.0013151574 2.0191959 0.29445176 7613.1843 18000 2.00735 0.016693347 2.0206977 0.35537739 7292.1647 19000 1.9996379 0.025020058 2.0213252 0.35594894 6980.3692 20000 1.99304 0.035528694 2.025247 0.39068018 6690.3555 21000 1.9996323 0.017458241 2.0137578 0.39735127 6497.3837 22000 1.9949617 0.028866687 2.0205034 0.40527844 6223.7318 23000 2.0109325 0.017646321 2.0252272 0.4171507 5971.5878 24000 2.0065992 0.020958573 2.0242135 0.44285242 5811.3038 25000 2.0162034 0.013608049 2.0264511 0.44820753 5670.6039 26000 2.0155947 0.021613098 2.0338484 0.50646486 5560.9474 27000 1.9867282 0.061035788 2.0444527 0.52834033 5416.229 28000 2.0182277 0.027696843 2.0425608 0.50068529 5248.3423 29000 1.9969804 0.025362049 2.0190142 0.62372967 5114.3052 30000 1.9919721 0.031513314 2.0201654 0.58566807 5040.2167 31000 1.9717581 0.065297706 2.0337695 0.58587707 4925.982 32000 2.0031236 0.027941441 2.0277265 0.63718249 4800.1641 33000 2.009939 0.035745131 2.0423342 0.5565546 4716.8179 34000 2.0133737 0.032514079 2.0425322 0.59840543 4661.2112 35000 1.9946613 0.050844465 2.0421813 0.75006325 4544.451 36000 2.013397 0.0397056 2.0497469 0.65849841 4483.7497 37000 2.0006181 0.037963997 2.0352477 0.77598608 4414.6609 38000 1.9575408 0.06996425 2.0242425 0.86318741 4362.8063 39000 1.9858721 0.064218347 2.0467806 0.72824697 4313.8724 40000 2.0033244 0.046949963 2.0469355 0.71735138 4210.7464 41000 1.9841673 0.05811834 2.0389787 0.77792196 4140.5996 42000 2.0176912 0.035140169 2.0494686 0.72179939 4106.7454 43000 1.9910197 0.055696348 2.0433977 0.78813392 4042.2245 44000 1.9684218 0.090017002 2.0551581 0.89775094 3964.1659 45000 1.9934298 0.063845821 2.0539532 0.87564355 3943.1864 46000 2.0098408 0.043671419 2.0501625 0.9380022 3914.699 47000 2.0085323 0.055757448 2.0609422 0.83280289 3838.9374 48000 1.9935643 0.064908847 2.0551505 0.9287581 3822.0687 49000 2.0102242 0.045686005 2.0525598 0.92639038 3796.1209 50000 1.9866234 0.069280947 2.0525933 0.98907678 3713.7478 Loop time of 36.2457 on 4 procs for 50000 steps with 900 atoms Pair time (%) = 2.46031 (6.78788) Neigh time (%) = 0.449679 (1.24064) Comm time (%) = 19.0279 (52.4971) Outpt time (%) = 0.376391 (1.03844) Other time (%) = 13.9313 (38.4359) Nlocal: 225 ave 253 max 182 min Histogram: 1 0 0 0 1 0 0 0 0 2 Nghost: 297.5 ave 310 max 275 min Histogram: 1 0 0 0 0 0 1 0 0 2 Neighs: 1518.5 ave 1657 max 1246 min Histogram: 1 0 0 0 0 0 1 0 0 2 Total # of neighbors = 6074 Ave neighs/atom = 6.74889 Neighbor list builds = 2768 Dangerous builds = 0