LAMMPS (15 Jan 2010) # 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 0.0081401738 2.1036985 0.049192217 41664.559 5000 2.0428684 -0.00010721686 2.0404914 0.069391753 27239.613 6000 2.0019422 0.0031508864 2.0028687 0.094008052 20369.42 7000 1.9804962 0.014232286 1.9925279 0.1213326 16950.471 8000 1.9799939 0.02110424 1.9988982 0.14355161 14946.998 9000 2.0086754 0.0075582088 2.0140018 0.15413456 13541.773 10000 2.0111846 0.014837261 2.0237872 0.17815644 12376.563 11000 2.0009867 0.023585324 2.0223487 0.18476862 11349.094 12000 2.0081888 0.021042968 2.0270005 0.20805315 10413.786 13000 2.0073242 0.022660628 2.0277545 0.2618024 9580.8617 14000 2.0132995 0.011098412 2.0221609 0.24241844 8955.2796 15000 1.9935123 0.027506763 2.018804 0.28347963 8481.1002 16000 2.0138701 0.010098081 2.0217306 0.27116735 8101.8048 17000 1.9961144 0.032341929 2.0262384 0.35173752 7726.2016 18000 2.0062141 0.017727613 2.0217126 0.31815455 7335.2691 19000 1.9722426 0.049842571 2.0198938 0.38305016 7017.8694 20000 2.0105249 0.025718126 2.0340091 0.39144988 6741.2107 21000 2.0202359 0.021844017 2.0398352 0.37267453 6490.7505 22000 2.0170475 0.027363384 2.0421698 0.3980519 6260.4648 23000 2.0002266 0.044664532 2.0426686 0.46416007 6036.0867 24000 2.0244857 0.018602855 2.0408391 0.44083256 5860.8857 25000 2.0155484 0.026604773 2.0399137 0.45089025 5705.4285 26000 2.0042083 0.038741004 2.0407225 0.50867855 5561.0521 27000 1.9890793 0.0499586 2.0368278 0.50693757 5431.3526 28000 2.0218464 0.03042568 2.0500256 0.50915338 5263.3705 29000 1.9873046 0.070059134 2.0551556 0.61561587 5138.5563 30000 2.0292021 0.023123832 2.0500712 0.56287385 5021.227 31000 1.9989274 0.056386862 2.0530932 0.62191836 4892.4219 32000 1.9785651 0.069403334 2.04577 0.6742955 4820.7949 33000 1.9876977 0.072553911 2.0580431 0.70765298 4749.2349 34000 1.9947836 0.07320354 2.0657708 0.70095294 4667.4497 35000 2.0136399 0.058792128 2.0701947 0.70766639 4572.4829 36000 2.0168328 0.054366679 2.0689586 0.72746701 4465.383 37000 2.0156725 0.058393266 2.0718261 0.67356394 4423.8328 38000 2.0069983 0.063326137 2.0680945 0.69973651 4367.1573 39000 1.9848816 0.069121229 2.0517974 0.8203791 4284.988 40000 2.0023359 0.060995146 2.0611062 0.79316005 4178.2125 41000 1.993631 0.070869533 2.0622854 0.83534613 4125.4539 42000 1.9734126 0.092315085 2.063535 0.90817003 4122.7493 43000 1.9855237 0.090960071 2.0742776 0.85735304 4071.5294 44000 2.0136311 0.069947968 2.0813417 0.84905758 3994.5619 45000 2.0118382 0.068803927 2.0784067 0.80982528 3931.1881 46000 2.0567836 0.034733386 2.0892317 0.82276486 3901.416 47000 1.990275 0.091141439 2.079205 0.9321676 3851.0061 48000 2.0059895 0.081535957 2.0852966 0.8686178 3826.0905 49000 2.0276188 0.060350089 2.085716 0.89407727 3786.439 50000 2.0129898 0.0842833 2.0950365 0.98615893 3740.8972 Loop time of 28.5106 on 4 procs for 50000 steps with 900 atoms Pair time (%) = 2.29112 (8.03604) Neigh time (%) = 0.42835 (1.50242) Comm time (%) = 14.4108 (50.5454) Outpt time (%) = 0.368388 (1.29211) Other time (%) = 11.0119 (38.624) Nlocal: 225 ave 245 max 205 min Histogram: 1 1 0 0 0 0 0 0 1 1 Nghost: 310.5 ave 320 max 292 min Histogram: 1 0 0 0 0 0 0 1 0 2 Neighs: 1501 ave 1612 max 1344 min Histogram: 1 0 0 0 0 1 0 0 1 1 Total # of neighbors = 6004 Ave neighs/atom = 6.67111 Neighbor list builds = 2778 Dangerous builds = 0