Homec4science
Diffusion lammps (master) Browse

lammps/examples/colloid/log.colloid.10Sep10.linux.4
0d3cb6da6bd2master

Last Change
Raw File

log.colloid.10Sep10.linux.4
View Options

LAMMPS (10 Sep 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 temp 2.0 2.0 1.0 iso 0.0 1.0 10.0 drag 1.0 mtk no pchain 0 tchain 1
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 1.9558819 -0.00044998322 1.9532587 0.01784589 99146.35
2000 2.0558568 0.011295331 2.0648679 0.021858185 96654.425
3000 2.1809647 0.0091754217 2.1877168 0.031294876 68756.47
4000 2.1960934 0.0028186107 2.1964719 0.049318667 42974.984
5000 2.1463273 0.01274853 2.156691 0.07399494 28660.577
6000 2.1073954 0.0076740495 2.1127279 0.0976574 21544.21
7000 2.0843824 -0.0020103233 2.0800561 0.11035975 17791.25
8000 2.0722812 -0.0055341093 2.0644446 0.1258002 15497.017
9000 2.0522409 0.0093070316 2.0592676 0.15067871 13886.344
10000 2.0479022 0.010202901 2.0558297 0.17098883 12621.592
11000 2.0380647 0.022149294 2.0579495 0.21289456 11513.93
12000 2.0325651 0.026302255 2.056609 0.25050503 10615.642
13000 2.0331572 0.023671803 2.05457 0.25207081 9861.9599
14000 2.0342067 0.019413601 2.0513601 0.24041021 9216.2616
15000 2.0332615 0.022775757 2.0537781 0.28291892 8634.8141
16000 2.0329345 0.020980606 2.0516563 0.29807127 8155.8981
17000 2.039188 0.014286071 2.0512083 0.30687321 7746.2435
18000 2.0452159 0.0092634432 2.0522068 0.31683468 7396.277
19000 2.0158626 0.035217228 2.04884 0.36610312 7082.1419
20000 2.0284664 0.032953766 2.0591663 0.39281877 6770.9589
21000 2.0226606 0.035814093 2.0562273 0.39437998 6521.4776
22000 2.0130135 0.040365662 2.0511425 0.44121773 6325.4746
23000 2.015032 0.04394302 2.0567361 0.45044797 6110.0623
24000 2.0242073 0.035871997 2.0578302 0.45322663 5904.7342
25000 2.0270024 0.035017804 2.059768 0.49773835 5697.3918
26000 2.002438 0.059035413 2.0592485 0.51121477 5547.7333
27000 2.0161827 0.040874692 2.0548172 0.52409916 5428.5263
28000 2.0221465 0.040780109 2.0606798 0.52891624 5265.4809
29000 1.9909985 0.070412989 2.0591993 0.57485997 5105.1236
30000 1.9936857 0.06411566 2.0555861 0.60206458 5028.4694
31000 2.0360818 0.026357606 2.0601771 0.51359522 4964.9556
32000 2.0140985 0.055233213 2.0670939 0.63839514 4848.1212
33000 1.9837082 0.07873748 2.0602416 0.71715999 4765.2405
34000 1.9966603 0.069959523 2.0644013 0.71341915 4682.4238
35000 2.0117471 0.056956101 2.066468 0.67375821 4631.0618
36000 2.0176258 0.062029231 2.0774132 0.74425024 4524.0425
37000 2.0152405 0.064303766 2.0773051 0.68581066 4425.9873
38000 1.9985654 0.081975898 2.0783207 0.7704637 4345.3174
39000 1.9858687 0.087849129 2.0715113 0.77585184 4288.3463
40000 2.0206318 0.05532156 2.0737082 0.78638075 4244.9796
41000 2.0193318 0.062817577 2.0799057 0.78429167 4167.5733
42000 2.0092077 0.071029098 2.0780044 0.7768825 4116.8138
43000 2.0153309 0.067818727 2.0809104 0.74734758 4079.7086
44000 2.0195532 0.065247754 2.082557 0.9316374 4026.2843
45000 1.9802241 0.10409164 2.0821154 0.96663918 3998.3262
46000 1.9854496 0.1075189 2.0907625 1.021584 3927.3112
47000 2.0432354 0.054434623 2.0953998 0.87230417 3861.9993
48000 2.0013528 0.092780712 2.0919098 0.96849477 3817.8083
49000 1.983561 0.10735506 2.0887121 1.0283904 3787.8018
50000 2.0011289 0.094204701 2.0931101 0.99135562 3764.0292
Loop time of 6.56245 on 4 procs for 50000 steps with 900 atoms
Pair time (%) = 1.86456 (28.4126)
Neigh time (%) = 0.363108 (5.53311)
Comm time (%) = 1.97777 (30.1376)
Outpt time (%) = 0.247797 (3.77598)
Other time (%) = 2.10922 (32.1408)
Nlocal: 225 ave 246 max 210 min
Histogram: 1 0 0 2 0 0 0 0 0 1
Nghost: 310.25 ave 330 max 296 min
Histogram: 1 0 1 0 1 0 0 0 0 1
Neighs: 1520.75 ave 1622 max 1353 min
Histogram: 1 0 0 0 0 0 0 2 0 1
Total # of neighbors = 6083
Ave neighs/atom = 6.75889
Neighbor list builds = 2794
Dangerous builds = 0
c4science · Help