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lammps/examples/colloid/log.colloid.10Sep10.linux.1
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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)
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 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 = 1.84805 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 0.012748525 2.156691 0.073994939 28660.577
6000 2.1073993 0.0076701766 2.1127279 0.09765596 21544.211
7000 2.0845784 -0.002231208 2.080031 0.11014385 17791.281
8000 2.0649566 0.0033946644 2.0660569 0.12813955 15494.971
9000 2.0549341 0.0036407503 2.0562916 0.14677203 13871.133
10000 2.0533504 0.0061906109 2.0572595 0.16609325 12575.783
11000 2.0512293 0.0054299129 2.05438 0.18469361 11512.707
12000 2.0417414 0.012714586 2.0521874 0.20813515 10612.626
13000 2.0340554 0.024863066 2.0566584 0.23789399 9831.2233
14000 2.0227138 0.031383229 2.0518496 0.26672609 9192.1178
15000 2.0461217 0.01108123 2.0549295 0.26343875 8634.5676
16000 2.0458851 0.0096312089 2.0532431 0.28019349 8142.3052
17000 2.0277001 0.025551945 2.050999 0.31081974 7748.6641
18000 2.0214721 0.032250275 2.0514763 0.33102736 7396.8201
19000 2.0363924 0.016941587 2.0510713 0.33406483 7060.7629
20000 2.0310397 0.023344929 2.0521279 0.35924735 6790.0327
21000 2.022195 0.033750346 2.0536984 0.39278369 6553.9448
22000 2.0125755 0.044598473 2.0549377 0.46764457 6324.4162
23000 2.0062096 0.049106575 2.0530871 0.45440086 6120.7099
24000 2.0179886 0.039373042 2.0551194 0.49940564 5909.9566
25000 2.0332507 0.025245421 2.0562369 0.45330345 5738.0889
26000 1.9964095 0.063580029 2.0577713 0.54097144 5578.2387
27000 2.0244455 0.038598397 2.0607945 0.52231996 5434.0327
28000 1.9938911 0.067766733 2.0594424 0.61091823 5292.7262
29000 2.0218405 0.036999202 2.0565932 0.5311977 5203.3778
30000 2.0207832 0.046760682 2.0652986 0.56610538 5070.3386
31000 1.9912351 0.078697601 2.0677202 0.6322967 4965.1486
32000 2.0238381 0.047492236 2.0690816 0.63381363 4835.9878
33000 2.039799 0.026525862 2.0640584 0.53285022 4759.8217
34000 2.0174621 0.057105551 2.0723261 0.64467755 4670.3864
35000 2.0063359 0.066058747 2.0701654 0.69838429 4569.2775
36000 2.0235751 0.051897263 2.073224 0.72690959 4489.1412
37000 1.9919056 0.082155679 2.0718481 0.76989663 4425.5319
38000 2.0165145 0.054900127 2.0691741 0.71506922 4363.1001
39000 1.9914799 0.086534981 2.0758021 0.72573846 4295.6077
40000 2.021673 0.056008458 2.0754352 0.79323316 4230.918
41000 1.9991577 0.079224104 2.0761605 0.82959064 4176.1378
42000 2.0345579 0.049727153 2.0820245 0.76689891 4104.6621
43000 2.0198238 0.065055122 2.0826347 0.76350704 4053.1909
44000 2.0317758 0.055399257 2.0849176 0.81303541 4004.6782
45000 1.9768996 0.1069946 2.0816976 1.0368321 3965.6941
46000 2.0239006 0.068426868 2.0900787 0.82654301 3917.9121
47000 1.9974829 0.09160171 2.0868652 0.98260215 3875.9397
48000 2.0075343 0.086776604 2.0920804 1.0407931 3838.6358
49000 2.0377514 0.056590997 2.0920782 0.83309295 3806.7174
50000 1.9745583 0.1268781 2.0992424 1.0900442 3755.5166
Loop time of 14.0181 on 1 procs for 50000 steps with 900 atoms
Pair time (%) = 7.4275 (52.9851)
Neigh time (%) = 1.43155 (10.2122)
Comm time (%) = 0.323036 (2.30442)
Outpt time (%) = 0.34462 (2.4584)
Other time (%) = 4.49138 (32.0399)
Nlocal: 900 ave 900 max 900 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 541 ave 541 max 541 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 5974 ave 5974 max 5974 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 5974
Ave neighs/atom = 6.63778
Neighbor list builds = 2779
Dangerous builds = 0
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