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lammps/examples/colloid/log.colloid.22Jan08.linux.4
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LAMMPS (22 Jan 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 1.4375978 0.014375923 90000
1000 1.7223464 0.00099729506 1.7204731 0.015431199 101039.13
2000 1.9986619 0.00075906115 1.9960899 0.018607661 99018.745
3000 2.1174664 0.0023215952 2.1162589 0.029169081 68947.872
4000 2.0922515 0.0027117962 2.0914762 0.048247413 41709.954
5000 2.0457094 -0.0017934811 2.0405064 0.069440615 27252.713
6000 2.0094247 -0.0030357089 2.00304 0.095318361 20437.896
7000 1.9787517 0.015727213 1.991181 0.12210082 16963.98
8000 1.9983 0.0017433401 1.9967129 0.14165341 14903.677
9000 1.9927888 0.013406349 2.0028739 0.17008104 13468.549
10000 1.99929 0.011927067 2.0078849 0.18343491 12299.949
11000 2.0150846 0.00018121827 2.0119074 0.18478179 11314.797
12000 2.0039613 0.0083020972 2.0089234 0.22215222 10404.632
13000 2.0089431 0.00048942212 2.0060843 0.2159184 9598.2333
14000 1.9642202 0.03348398 1.9944305 0.29178119 8913.182
15000 1.9865717 0.028923917 2.0121846 0.29202685 8385.9226
16000 1.9824603 0.021603392 2.0007596 0.35043111 7979.2443
17000 2.0212495 0.0013151574 2.0191959 0.29445176 7613.1843
18000 2.00735 0.016693347 2.0206977 0.35537739 7292.1647
19000 1.9996379 0.025020058 2.0213252 0.35594894 6980.3692
20000 1.99304 0.035528694 2.025247 0.39068018 6690.3555
21000 1.9996323 0.017458241 2.0137578 0.39735127 6497.3837
22000 1.9949617 0.028866687 2.0205034 0.40527844 6223.7318
23000 2.0109325 0.017646321 2.0252272 0.4171507 5971.5878
24000 2.0065992 0.020958573 2.0242135 0.44285242 5811.3038
25000 2.0162034 0.013608049 2.0264511 0.44820753 5670.6039
26000 2.0155947 0.021613098 2.0338484 0.50646486 5560.9474
27000 1.9867282 0.061035788 2.0444527 0.52834033 5416.229
28000 2.0182277 0.027696843 2.0425608 0.50068529 5248.3423
29000 1.9969804 0.025362049 2.0190142 0.62372967 5114.3052
30000 1.9919721 0.031513314 2.0201654 0.58566807 5040.2167
31000 1.9717581 0.065297706 2.0337695 0.58587707 4925.982
32000 2.0031236 0.027941441 2.0277265 0.63718249 4800.1641
33000 2.009939 0.035745131 2.0423342 0.5565546 4716.8179
34000 2.0133737 0.032514079 2.0425322 0.59840543 4661.2112
35000 1.9946613 0.050844465 2.0421813 0.75006325 4544.451
36000 2.013397 0.0397056 2.0497469 0.65849841 4483.7497
37000 2.0006181 0.037963997 2.0352477 0.77598608 4414.6609
38000 1.9575408 0.06996425 2.0242425 0.86318741 4362.8063
39000 1.9858721 0.064218347 2.0467806 0.72824697 4313.8724
40000 2.0033244 0.046949963 2.0469355 0.71735138 4210.7464
41000 1.9841673 0.05811834 2.0389787 0.77792196 4140.5996
42000 2.0176912 0.035140169 2.0494686 0.72179939 4106.7454
43000 1.9910197 0.055696348 2.0433977 0.78813392 4042.2245
44000 1.9684218 0.090017002 2.0551581 0.89775094 3964.1659
45000 1.9934298 0.063845821 2.0539532 0.87564355 3943.1864
46000 2.0098408 0.043671419 2.0501625 0.9380022 3914.699
47000 2.0085323 0.055757448 2.0609422 0.83280289 3838.9374
48000 1.9935643 0.064908847 2.0551505 0.9287581 3822.0687
49000 2.0102242 0.045686005 2.0525598 0.92639038 3796.1209
50000 1.9866234 0.069280947 2.0525933 0.98907678 3713.7478
Loop time of 36.2457 on 4 procs for 50000 steps with 900 atoms
Pair time (%) = 2.46031 (6.78788)
Neigh time (%) = 0.449679 (1.24064)
Comm time (%) = 19.0279 (52.4971)
Outpt time (%) = 0.376391 (1.03844)
Other time (%) = 13.9313 (38.4359)
Nlocal: 225 ave 253 max 182 min
Histogram: 1 0 0 0 1 0 0 0 0 2
Nghost: 297.5 ave 310 max 275 min
Histogram: 1 0 0 0 0 0 1 0 0 2
Neighs: 1518.5 ave 1657 max 1246 min
Histogram: 1 0 0 0 0 0 1 0 0 2
Total # of neighbors = 6074
Ave neighs/atom = 6.74889
Neighbor list builds = 2768
Dangerous builds = 0
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