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lammps/examples/colloid/log.colloid.5Oct07.linux.4
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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)
2 by 2 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 = 1.38397 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 -0.00055303273 2.0373053 0.074449455 27116.088
6000 1.9976923 0.0074104772 2.0017732 0.096914266 20386.029
7000 1.9985387 0.0036033736 1.9988111 0.1134532 16956.875
8000 1.9968131 0.0066191941 2.0001043 0.13936849 14856.781
9000 2.0116478 0.0091279265 2.017423 0.14943756 13350.258
10000 1.995529 0.021846474 2.0140496 0.1797053 12161.967
11000 2.0007913 0.0083610476 2.0058177 0.19355061 11180.478
12000 1.9990215 0.012442077 2.0081319 0.21432955 10258.03
13000 2.0119162 0.0097697341 2.0183328 0.24344379 9488.4097
14000 2.0071517 0.01123161 2.015038 0.26617291 8851.9854
15000 2.0164599 0.0043535711 2.0174527 0.26327727 8337.1228
16000 1.9939211 0.018284721 2.0088826 0.28639791 7868.2338
17000 1.9994696 0.0139029 2.01004 0.31146407 7435.9099
18000 2.0105768 0.022014389 2.0292402 0.37565593 7107.63
19000 2.0241137 0.017983125 2.0387233 0.35000991 6845.2682
20000 2.0027231 0.025233952 2.0246191 0.41714655 6588.2364
21000 2.0139047 0.015929062 2.0264773 0.39101346 6322.3272
22000 2.0188343 0.019474932 2.0349445 0.40689058 6067.8792
23000 1.9968998 0.017049306 2.0106209 0.42441698 5885.9917
24000 1.9913995 0.022023169 2.0101037 0.49276546 5713.8287
25000 2.0282271 0.0010811866 2.0259279 0.43846627 5535.1617
26000 1.99007 0.037451308 2.0242046 0.51153606 5374.4974
27000 2.0032103 0.02793327 2.0278049 0.53287006 5246.9824
28000 2.0012016 0.031183734 2.02905 0.49026667 5103.936
29000 1.9921192 0.033101665 2.0219007 0.56679853 4945.3262
30000 2.0112942 0.028974887 2.0369169 0.59607886 4811.7925
31000 2.0068077 0.033866848 2.0373299 0.57936336 4720.1126
32000 1.9796234 0.062198621 2.0385226 0.66287681 4636.0262
33000 2.0008592 0.037115927 2.0346403 0.64171308 4542.6751
34000 2.0312988 0.019280094 2.0471934 0.60599935 4444.4538
35000 1.998235 0.048493255 2.0433979 0.69883437 4366.7212
36000 2.0108358 0.036898896 2.0443833 0.8189753 4304.603
37000 2.0193723 0.035454333 2.051461 0.71428244 4229.3292
38000 1.9977656 0.053908975 2.048345 0.74599208 4168.8054
39000 1.9910258 0.053411944 2.0411194 1.0020227 4135.5413
40000 2.0068958 0.062820555 2.0663716 0.7380476 4077.369
41000 2.0151378 0.044268277 2.0560475 0.7815389 3971.5744
42000 1.9899084 0.06823508 2.054827 0.88353238 3899.603
43000 1.995483 0.054557002 2.0467142 0.87798264 3861.8059
44000 1.9672099 0.065595401 2.0295266 1.0402091 3811.7046
45000 1.991365 0.046768622 2.0348147 0.86054084 3788.9404
46000 1.9565876 0.079004276 2.0323309 1.0350984 3725.8947
47000 2.0092594 0.057752764 2.0636634 0.83469987 3652.7366
48000 2.014792 0.046218596 2.0576526 0.9098087 3628.3485
49000 2.0035173 0.065852566 2.0660307 0.94870248 3574.256
50000 2.0196028 0.065457163 2.0816939 0.92720759 3546.5336
Loop time of 31.5797 on 4 procs for 50000 steps with 900 atoms
Pair time (%) = 2.09001 (6.61822)
Neigh time (%) = 0.416893 (1.32013)
Comm time (%) = 16.7082 (52.9078)
Outpt time (%) = 0.340365 (1.0778)
Other time (%) = 12.0243 (38.076)
Nlocal: 225 ave 241 max 214 min
Histogram: 1 1 0 0 1 0 0 0 0 1
Nghost: 320 ave 340 max 303 min
Histogram: 1 0 0 1 1 0 0 0 0 1
Neighs: 1494 ave 1550 max 1375 min
Histogram: 1 0 0 0 0 0 0 1 0 2
Total # of neighbors = 5976
Ave neighs/atom = 6.64
Neighbor list builds = 2762
Dangerous builds = 0
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