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lammps/examples/colloid/log.colloid.5Oct07.linux.1
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LAMMPS (5 Oct 2007)
# 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
868 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 = 1.50473 Mbytes
Step Temp E_pair TotEng Press Volume
0 1.44 0 1.4376 0.014376 90000
1000 1.7229304 -0.00015669053 1.7199022 0.015318085 100904.47
2000 1.9967588 0.0020777128 1.9955085 0.018297171 98746.175
3000 2.1202073 0.00084628342 2.1175199 0.028086414 68843.26
4000 2.1015115 0.0038976621 2.1019067 0.049667096 41498.626
5000 2.0412605 -0.00055303189 2.0373053 0.074449455 27116.088
6000 1.9976914 0.0074115979 2.0017735 0.096914589 20386.028
7000 1.9983723 0.0036979337 1.9987396 0.11352975 16956.776
8000 1.9915215 0.015325051 2.0035274 0.13427318 14870.472
9000 2.0013903 0.010272573 2.0083272 0.15672322 13407.529
10000 2.0146415 -0.0021407461 2.009143 0.16517555 12233.484
11000 1.9916467 0.0061066643 1.994434 0.18129828 11189.037
12000 1.98785 0.019810319 2.0043473 0.21980579 10263.222
13000 2.0127132 0.0088877002 2.0182464 0.21501025 9491.7009
14000 1.9913332 0.027995115 2.0160095 0.29260961 8836.5762
15000 2.011823 0.014284134 2.0227541 0.2875531 8274.3305
16000 2.0107622 0.011449596 2.0188606 0.30513433 7838.3386
17000 1.9980983 0.018919479 2.0136877 0.30831644 7458.3796
18000 2.0006615 0.02010257 2.0174296 0.33711019 7101.9718
19000 2.0146677 0.018388754 2.0296986 0.38350473 6824.606
20000 1.991312 0.042232971 2.0302261 0.40707294 6563.9843
21000 2.0208539 0.0094531214 2.0269389 0.39661249 6295.8677
22000 1.9909141 0.038902855 2.0264988 0.43460586 6066.4294
23000 2.005339 0.024497042 2.0264938 0.42002103 5898.8857
24000 1.9812291 0.04602497 2.023952 0.46678213 5730.1522
25000 2.0064116 0.030650951 2.0337185 0.478538 5527.8418
26000 1.9865132 0.061319527 2.0445218 0.52290425 5355.6377
27000 2.0013895 0.038637962 2.0366918 0.52759689 5227.2617
28000 1.9940928 0.037916944 2.0286863 0.52180257 5100.6314
29000 1.9946357 0.036831074 2.0281424 0.56925044 4943.6745
30000 1.9919808 0.033232657 2.0218935 0.6555772 4803.268
31000 1.9532441 0.074836486 2.0248252 0.61929321 4736.9445
32000 2.0194145 0.02267509 2.0387239 0.59196318 4676.905
33000 1.9982419 0.037190451 2.0321019 0.61844932 4593.3009
34000 2.0105117 0.033623411 2.0407843 0.63550924 4489.0435
35000 2.0088788 0.044076555 2.0496073 0.68122455 4369.1336
36000 1.9986335 0.05798169 2.0532841 0.72126511 4278.5347
37000 1.9817447 0.076628479 2.0550703 0.82568475 4228.7256
38000 2.0355107 0.03663577 2.068754 0.69994646 4168.2216
39000 1.9813989 0.077642991 2.0557395 0.74712271 4108.7097
40000 2.02985 0.018054949 2.0445219 0.73244199 4053.749
41000 1.9980839 0.041648523 2.0364022 0.8918399 4003.826
42000 1.9957137 0.061952166 2.0543397 0.82718027 3922.9382
43000 2.0095254 0.043542722 2.0497189 0.86824556 3858.6497
44000 1.9897663 0.061999495 2.0484495 0.78993338 3806.2668
45000 1.9877427 0.072335929 2.0567657 0.85855742 3762.6739
46000 2.013597 0.05214842 2.0623894 0.87845503 3735.9028
47000 1.9939167 0.0648104 2.0554039 0.82658529 3706.4343
48000 2.0205894 0.045267254 2.062489 0.87730466 3658.3005
49000 1.9641292 0.088922667 2.0497783 0.98253029 3582.148
50000 2.0000443 0.059295597 2.0560065 0.96488274 3540.7444
Loop time of 13.4223 on 1 procs for 50000 steps with 900 atoms
Pair time (%) = 7.80901 (58.1795)
Neigh time (%) = 1.61124 (12.0042)
Comm time (%) = 0.398404 (2.96823)
Outpt time (%) = 0.316924 (2.36118)
Other time (%) = 3.28671 (24.4869)
Nlocal: 900 ave 900 max 900 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 559 ave 559 max 559 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 6061 ave 6061 max 6061 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 6061
Ave neighs/atom = 6.73444
Neighbor list builds = 2793
Dangerous builds = 0
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