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lammps/examples/colloid/log.colloid.21May08.linux.4
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LAMMPS (21 May 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 1.4383978 0.014383923 90000
1000 1.7223559 0.00098929183 1.7214314 0.015437595 101049.21
2000 1.9986757 0.00075885378 1.9972138 0.018605636 99044.305
3000 2.117844 0.0022972154 2.1177881 0.0290761 68969.85
4000 2.0898816 0.0057833635 2.0933428 0.047715809 41724.713
5000 2.0439342 4.9493696e-05 2.0417126 0.068595137 27281.204
6000 2.0064128 0.0044188137 2.0086023 0.099926529 20425.195
7000 2.009238 0.00046917886 2.0074747 0.11213609 16950.59
8000 1.9949838 0.0052143802 1.9979815 0.1425616 14958.04
9000 2.0011383 0.0069562003 2.005871 0.14834553 13504.001
10000 1.979696 0.02095102 1.9984473 0.19710313 12322.476
11000 1.9924355 0.020996961 2.0112186 0.19380381 11317.61
12000 2.0174806 0.0045044349 2.0197434 0.19561004 10406.802
13000 2.0141962 0.012098292 2.0240564 0.23000265 9574.4324
14000 2.0117821 0.011995258 2.0215421 0.24369426 8941.3844
15000 2.0145336 0.0075091224 2.0198044 0.27014029 8427.7465
16000 1.9951071 0.016297672 2.009188 0.29810761 8032.5886
17000 1.9873425 0.017851879 2.0029862 0.37277713 7672.305
18000 2.0113338 0.011550523 2.0206495 0.31040003 7349.9335
19000 2.0042474 0.021677746 2.0236982 0.34923741 7038.9595
20000 2.0132671 0.01770125 2.0287314 0.34219638 6788.2687
21000 1.9990052 0.025514077 2.0222981 0.41034791 6511.8494
22000 1.9920265 0.034234411 2.0240476 0.447435 6265.757
23000 1.9785405 0.033612536 2.0099547 0.48855923 6083.2627
24000 2.0072694 0.020012143 2.0250513 0.42997092 5921.4392
25000 1.9999409 0.025903294 2.023622 0.48047026 5734.6208
26000 1.9957819 0.025572875 2.0191372 0.51207606 5567.496
27000 2.0045855 0.021594009 2.0239522 0.55039179 5429.0002
28000 2.0095018 0.031277686 2.0385467 0.53154624 5292.7192
29000 1.9973043 0.031158435 2.0262435 0.66732668 5135.6507
30000 2.0052408 0.043659151 2.0466719 0.54053464 5006.0454
31000 2.0054687 0.028869471 2.0321099 0.6486529 4917.9379
32000 2.0014648 0.039097706 2.0383386 0.63590098 4830.9602
33000 2.0109706 0.027207161 2.0359434 0.62127582 4737.6015
34000 1.9926472 0.053463886 2.043897 0.70086128 4628.5249
35000 2.0042786 0.043819947 2.0458716 0.70552776 4561.5216
36000 2.0055993 0.032340095 2.035711 0.7089785 4483.1738
37000 1.9884127 0.059230504 2.0454339 0.81716796 4421.5811
38000 2.0051674 0.045925715 2.0488651 0.7107607 4384.2193
39000 1.985589 0.050501548 2.0338844 0.85566246 4298.1153
40000 1.9893789 0.06330525 2.0504737 0.80004664 4229.6943
41000 2.0113301 0.036227311 2.0453226 0.87163382 4148.2176
42000 1.9889787 0.05762879 2.0443975 0.76189797 4150.7988
43000 2.0165757 0.042412435 2.0567475 0.7515161 4110.7711
44000 2.0115095 0.047339399 2.0566139 0.80198372 4004.5573
45000 2.0097681 0.061366139 2.0689011 0.84636277 3915.4567
46000 1.9952706 0.065316805 2.0583704 0.84815375 3888.9886
47000 2.0295555 0.04141762 2.0687181 0.85366092 3877.8183
48000 2.0043454 0.064491592 2.0666099 0.93867902 3831.6649
49000 1.995415 0.078541445 2.0717394 0.86534452 3757.6528
50000 2.0184848 0.052970859 2.0692129 1.1246952 3732.4184
Loop time of 30.607 on 4 procs for 50000 steps with 900 atoms
Pair time (%) = 2.29298 (7.49168)
Neigh time (%) = 0.420455 (1.37372)
Comm time (%) = 15.7757 (51.5429)
Outpt time (%) = 0.357466 (1.16792)
Other time (%) = 11.7603 (38.4238)
Nlocal: 225 ave 243 max 213 min
Histogram: 1 1 0 0 1 0 0 0 0 1
Nghost: 321.5 ave 334 max 315 min
Histogram: 1 1 1 0 0 0 0 0 0 1
Neighs: 1507.5 ave 1590 max 1436 min
Histogram: 1 1 0 0 0 0 1 0 0 1
Total # of neighbors = 6030
Ave neighs/atom = 6.7
Neighbor list builds = 2800
Dangerous builds = 0
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