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lammps/examples/colloid/log.colloid.21May08.linux.1
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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)
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 1.7223559 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 4.9494163e-05 2.0417126 0.068595136 27281.204
6000 2.0064511 0.0044083308 2.0086301 0.099885102 20425.198
7000 2.0093135 0.00030033275 2.0073813 0.1121452 16950.524
8000 1.9916421 0.007621323 1.9970505 0.13964337 14953.142
9000 1.9903947 0.01453264 2.0027158 0.15594249 13489.913
10000 1.9988985 0.0052414174 2.0019189 0.17202156 12266.498
11000 2.00691 0.01129961 2.0159797 0.1963436 11187.939
12000 2.023487 0.002118289 2.023357 0.19929988 10338.246
13000 1.9848513 0.023120894 2.0057668 0.27040057 9647.688
14000 2.0010828 0.016195647 2.0150551 0.23608408 9076.0171
15000 1.9851734 0.02269988 2.0056676 0.30152394 8550.0935
16000 1.9911017 0.024538799 2.0134282 0.29719998 8065.2116
17000 2.0092834 0.013074179 2.020125 0.33224922 7611.4535
18000 2.0039464 0.015002702 2.0167225 0.34918313 7266.7936
19000 2.0019869 0.030678635 2.0304411 0.35155001 6969.7731
20000 2.0248332 0.023656323 2.0462397 0.35430625 6665.3958
21000 2.0260129 0.011469083 2.0352308 0.37670894 6451.5167
22000 1.9932271 0.02944517 2.0204576 0.44088832 6286.6382
23000 1.9979731 0.022604615 2.0183578 0.40240249 6093.5172
24000 2.0256254 0.014021814 2.0373965 0.43187961 5869.4093
25000 1.9843937 0.046591133 2.0287799 0.44796375 5709.9348
26000 2.0101586 0.017301084 2.0252262 0.51214936 5534.8985
27000 1.9887979 0.042607087 2.0291953 0.5364801 5383.6677
28000 2.0273894 0.010574688 2.0357114 0.53575221 5277.3504
29000 2.0114853 0.026487843 2.0357382 0.5019495 5183.9253
30000 1.9850719 0.036881749 2.019748 0.6029796 5083.5559
31000 1.9896683 0.035584301 2.0230419 0.63219014 4941.787
32000 1.9931863 0.045315686 2.0362874 0.59040131 4851.7745
33000 1.9857406 0.047506524 2.0310408 0.67712512 4778.4773
34000 1.9868172 0.057482705 2.0420923 0.71724066 4683.1331
35000 2.0166361 0.039653294 2.0540487 0.65881549 4607.7207
36000 1.9947118 0.057664381 2.0501599 0.73270964 4500.9296
37000 2.0026862 0.056070861 2.0565318 0.75439865 4419.1699
38000 2.0029796 0.058127694 2.0588818 0.75965407 4349.8826
39000 2.0123422 0.051811215 2.0619175 0.73967495 4280.3846
40000 1.979341 0.064620417 2.0417622 0.91817043 4210.1251
41000 1.9987965 0.048789657 2.0453653 0.77100684 4156.1718
42000 1.9941581 0.053682864 2.0456253 0.81849452 4093.031
43000 2.0170196 0.047788852 2.0625674 0.80410205 4049.9079
44000 2.0256856 0.039232233 2.062667 0.75599759 4004.6084
45000 1.9948188 0.046497265 2.0390996 0.94849943 3947.7148
46000 1.985315 0.080755658 2.0638648 0.88383148 3925.0434
47000 2.0102018 0.055513279 2.0634815 0.89218971 3877.3667
48000 1.9836965 0.073263577 2.054756 1.0335461 3819.6995
49000 2.016596 0.049424893 2.0637802 0.89744695 3789.3397
50000 2.0091046 0.054246496 2.0611188 0.97651208 3721.2095
Loop time of 14.0034 on 1 procs for 50000 steps with 900 atoms
Pair time (%) = 8.39301 (59.9356)
Neigh time (%) = 1.62176 (11.5812)
Comm time (%) = 0.390372 (2.7877)
Outpt time (%) = 0.311517 (2.22459)
Other time (%) = 3.28672 (23.4709)
Nlocal: 900 ave 900 max 900 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 574 ave 574 max 574 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 6018 ave 6018 max 6018 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 6018
Ave neighs/atom = 6.68667
Neighbor list builds = 2802
Dangerous builds = 0
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