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) 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 1.4383978 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 0.0081401739 2.1036985 0.049192217 41664.559 5000 2.0428684 -0.00010721795 2.0404914 0.069391752 27239.613 6000 2.0019425 0.0031728852 2.002891 0.094016766 20369.427 7000 1.9828854 0.011207105 1.9918893 0.1199569 16949.713 8000 1.9870461 0.011407921 1.9962462 0.13595355 14937.99 9000 2.0085955 0.0027457564 2.0091095 0.15136502 13514.043 10000 2.0238258 -0.0021763313 2.0194008 0.15758682 12357.414 11000 2.0241766 0.0039986104 2.0259261 0.18329195 11332.747 12000 2.004613 0.015391976 2.0177776 0.21538687 10470.543 13000 1.9815879 0.036006594 2.0153927 0.24919811 9695.0898 14000 2.0024493 0.013710169 2.0139345 0.25566922 8985.1219 15000 2.0043484 0.015214665 2.017336 0.27202849 8433.6955 16000 2.0007065 0.03736609 2.0358496 0.31398062 7977.3796 17000 1.9974488 0.035224172 2.0304536 0.3323164 7632.0346 18000 1.9822094 0.052533381 2.0325403 0.37760822 7337.8994 19000 1.9833033 0.046831681 2.0279314 0.36661606 7031.4607 20000 2.0225167 0.0097272078 2.0299966 0.34334951 6731.6068 21000 2.0036051 0.027880451 2.0292593 0.39374216 6461.4285 22000 2.0022247 0.032498478 2.0324985 0.43373127 6236.6369 23000 2.0125715 0.028394062 2.0387293 0.41815378 6053.4071 24000 2.021757 0.022936152 2.0424468 0.44080828 5873.0216 25000 2.0024031 0.04338606 2.0435643 0.45167645 5718.7978 26000 2.0166444 0.027021639 2.0414253 0.47976045 5577.4503 27000 1.9900556 0.055208774 2.0430532 0.54869714 5439.5717 28000 2.0188715 0.028299318 2.0449276 0.49992186 5295.0928 29000 1.9792633 0.061723057 2.0387871 0.59696941 5182.4028 30000 2.0056051 0.043115969 2.0464926 0.57166482 5039.9187 31000 1.9961677 0.049238121 2.0431878 0.59159988 4902.7896 32000 2.0319099 0.02358262 2.0532348 0.5628705 4802.0848 33000 2.0170639 0.037400766 2.0522235 0.603712 4727.3304 34000 1.9852792 0.073907076 2.0569804 0.65848142 4654.7451 35000 1.9613793 0.10469406 2.0638941 0.82771607 4574.4168 36000 1.9947309 0.065174832 2.0576893 0.67622787 4509.7284 37000 2.0122054 0.050098921 2.0600685 0.69670069 4424.3456 38000 1.9955683 0.068611225 2.0619622 0.76891502 4350.6543 39000 1.9918718 0.070781116 2.0604397 0.75222148 4298.0233 40000 1.9778712 0.085963636 2.0616372 0.81014747 4230.8951 41000 2.0038661 0.063074072 2.0647136 0.80389218 4180.8895 42000 2.0176584 0.064544906 2.0799615 0.85048972 4131.467 43000 2.0108234 0.073120026 2.0817092 0.84283763 4098.7267 44000 2.0072897 0.076129923 2.0811893 0.92920494 4023.507 45000 2.0018853 0.075521424 2.0751824 0.9362977 3942.996 46000 1.9964925 0.077345505 2.0716197 0.81819745 3892.6373 47000 2.0159247 0.060090634 2.0737754 0.87254182 3851.5981 48000 2.0013981 0.091124246 2.0902986 0.90418126 3813.9809 49000 1.9609979 0.13424526 2.0930643 1.1125922 3775.5521 50000 2.0193795 0.069623795 2.0867595 0.97575053 3741.3527 Loop time of 30.7799 on 4 procs for 50000 steps with 900 atoms Pair time (%) = 2.2738 (7.38727) Neigh time (%) = 0.441996 (1.43599) Comm time (%) = 15.8351 (51.4462) Outpt time (%) = 0.385077 (1.25107) Other time (%) = 11.8439 (38.4795) Nlocal: 225 ave 252 max 210 min Histogram: 1 1 1 0 0 0 0 0 0 1 Nghost: 302.75 ave 323 max 293 min Histogram: 1 2 0 0 0 0 0 0 0 1 Neighs: 1470 ave 1577 max 1417 min Histogram: 1 2 0 0 0 0 0 0 0 1 Total # of neighbors = 5880 Ave neighs/atom = 6.53333 Neighbor list builds = 2787 Dangerous builds = 0