LAMMPS (7 Jul 2009) # 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 1.4383978 0.014383923 90000 1000 1.7234872 0.00099573088 1.722568 0.015516409 101033.02 2000 1.9974361 0.0027373053 1.9979541 0.018869215 99044.293 3000 2.116115 0.0064857798 2.1202495 0.029970575 68999.265 4000 2.0978894 0.0081401736 2.1036985 0.049192217 41664.559 5000 2.0428684 -0.00010722124 2.0404914 0.069391752 27239.613 6000 2.0019359 0.0031629011 2.0028745 0.094013179 20369.423 7000 1.9859909 0.0083584339 1.9921427 0.11907542 16950.719 8000 1.9832826 0.019951056 2.00103 0.15009141 14934.808 9000 2.007585 0.0072375678 2.012592 0.14953527 13558.338 10000 2.0259435 0.0016337814 2.0253262 0.15637743 12401.031 11000 2.0105051 0.014904466 2.0231757 0.19705414 11328.74 12000 2.0093272 0.0070162508 2.0141109 0.20057013 10443.614 13000 2.0172025 0.0044248294 2.019386 0.21618275 9663.6577 14000 1.9885379 0.035054758 2.0213832 0.27344 9045.3635 15000 1.998542 0.032944317 2.0292657 0.2882141 8531.3574 16000 2.0270967 0.010374314 2.0352187 0.28692376 8063.0829 17000 2.0087212 0.019376821 2.0258661 0.29693187 7715.1446 18000 2.0095494 0.017859203 2.0251758 0.32216506 7309.0033 19000 2.0006512 0.029832513 2.0282608 0.34920287 6963.1205 20000 1.9965962 0.039618087 2.0339959 0.3770502 6702.7378 21000 1.9980353 0.042083707 2.037899 0.39610541 6492.7199 22000 2.0224195 0.018472461 2.0386448 0.39700798 6267.6418 23000 2.0048375 0.034993203 2.0376031 0.46759268 6041.2459 24000 1.9910883 0.049603243 2.0384792 0.51773615 5822.59 25000 2.0126414 0.039074684 2.0494798 0.47641523 5662.4045 26000 2.0242174 0.029277444 2.0512457 0.47905687 5549.7868 27000 1.9950956 0.052523414 2.0454023 0.53068138 5421.5395 28000 1.981477 0.058076755 2.0373521 0.53959851 5275.8228 29000 2.0024747 0.038320732 2.0385705 0.52224452 5134.06 30000 2.0007792 0.047760615 2.0463167 0.63145756 5036.1307 31000 2.0019036 0.055940559 2.0556198 0.59651016 4926.361 32000 1.9934484 0.060276128 2.0515096 0.64266026 4830.4621 33000 1.9908726 0.063870788 2.0525313 0.69586484 4739.2709 34000 2.0073498 0.053511449 2.0586308 0.6149679 4675.1487 35000 2.0303562 0.03519066 2.0632909 0.62989508 4584.6423 36000 2.0056438 0.061207778 2.0646231 0.67282363 4486.0405 37000 1.9973662 0.071703731 2.0668506 0.70279674 4403.9761 38000 2.0141467 0.061219376 2.0731281 0.76079208 4350.9674 39000 2.0220074 0.047129374 2.0668901 0.70712043 4303.3537 40000 2.0429464 0.038774254 2.0794508 0.69745869 4217.7011 41000 2.013036 0.07198376 2.082783 0.79269295 4161.6299 42000 2.0336931 0.04101004 2.0724435 0.74401743 4125.1756 43000 1.9944078 0.07334152 2.0655333 0.8718649 4069.478 44000 1.969516 0.10437628 2.0717039 0.91962914 3989.4169 45000 1.9881846 0.09799424 2.0839697 0.88896958 3960.0161 46000 1.9698174 0.12257187 2.0902006 1.0056165 3898.8593 47000 2.0088631 0.07294967 2.0795807 0.91234274 3860.7266 48000 1.9900847 0.090683919 2.0785574 1.030267 3828.8677 49000 1.979942 0.089347932 2.06709 0.89972418 3792.6116 50000 2.0021028 0.083091671 2.0829699 0.92297934 3745.8376 Loop time of 13.6269 on 1 procs for 50000 steps with 900 atoms Pair time (%) = 7.92059 (58.1247) Neigh time (%) = 1.62628 (11.9344) Comm time (%) = 0.388837 (2.85346) Outpt time (%) = 0.345151 (2.53286) Other time (%) = 3.34603 (24.5546) Nlocal: 900 ave 900 max 900 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 498 ave 498 max 498 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 6196 ave 6196 max 6196 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 6196 Ave neighs/atom = 6.88444 Neighbor list builds = 2769 Dangerous builds = 0