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lammps/examples/colloid/log.colloid.22Jan08.linux.1
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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)
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 1.4375978 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 -0.0017934808 2.0405064 0.069440615 27252.713
6000 2.0094249 -0.0030357548 2.0030401 0.095318346 20437.896
7000 1.9791016 0.015378539 1.9911816 0.12201039 16963.981
8000 2.0037567 0.00087754405 2.0012947 0.13624715 14904.297
9000 1.9954986 0.0074776387 1.9996504 0.15437139 13466.422
10000 2.0017119 0.0090860936 2.0074618 0.15967653 12285.361
11000 1.9965885 0.020076864 2.0133378 0.20431975 11226.299
12000 1.9893265 0.029138936 2.0151499 0.22508119 10359.215
13000 2.0096277 0.0055549561 2.0118333 0.23118708 9650.1073
14000 1.9874756 0.025360954 2.009524 0.25223651 9022.125
15000 1.9818513 0.036888053 2.0154362 0.3116855 8475.2794
16000 1.9928816 0.018897335 2.0084574 0.30081232 8067.2389
17000 1.9990591 0.025240285 2.0209676 0.30592349 7632.1957
18000 2.0101337 0.01582473 2.0226082 0.35986446 7250.9935
19000 2.0091976 0.019233907 2.0250828 0.33919836 6974.9737
20000 2.0064131 0.017623877 2.020693 0.35420372 6745.1629
21000 1.9971779 0.023499432 2.0173487 0.40913112 6504.8686
22000 1.9899433 0.036716791 2.0233435 0.46792355 6249.486
23000 2.0165042 0.030701843 2.0438452 0.43797608 6047.9924
24000 2.0162136 0.034428645 2.0472819 0.45591758 5884.7421
25000 2.0127204 0.035477231 2.0448431 0.5131322 5698.5164
26000 2.0187252 0.017160139 2.0325208 0.43758584 5558.1903
27000 1.9830248 0.049563853 2.0292837 0.56069898 5409.6546
28000 2.0189391 0.019264404 2.0348386 0.48027834 5284.0336
29000 1.9713776 0.050692614 2.0187846 0.61025529 5173.3555
30000 1.9819168 0.039816462 2.0184301 0.63355537 5059.7477
31000 1.9957876 0.045223147 2.0376844 0.60945681 4940.036
32000 2.0208255 0.028176971 2.0456344 0.62584685 4820.4303
33000 2.0103751 0.039181534 2.046206 0.69487302 4753.2781
34000 1.9959594 0.061461733 2.0540945 0.611319 4671.1011
35000 1.9843152 0.063438307 2.0444463 0.67227839 4580.8853
36000 2.0187362 0.029117024 2.0444886 0.67437268 4451.5952
37000 1.9767721 0.064543976 2.0380214 0.75641695 4386.7451
38000 2.0054158 0.038665525 2.040739 0.75284861 4340.2087
39000 2.0190605 0.028863116 2.0445585 0.72515667 4322.6267
40000 1.99241 0.056203851 2.0452932 0.77541878 4240.6248
41000 1.9794314 0.06647082 2.0426031 0.91929985 4161.9926
42000 2.0137404 0.050868342 2.0612525 0.76319297 4112.588
43000 2.0251176 0.041454389 2.0631968 0.8153631 4098.5268
44000 1.9931653 0.058795109 2.0486384 0.83341834 4025.7567
45000 1.992498 0.059944502 2.0491217 0.9195581 3949.158
46000 1.950407 0.087564106 2.0347204 1.0730912 3904.5945
47000 1.9829495 0.079781556 2.0594262 0.99133843 3840.5951
48000 2.0085408 0.051200913 2.0563942 0.91558928 3817.7264
49000 1.9929984 0.063176682 2.0528534 0.97184545 3811.188
50000 1.9924895 0.066841874 2.0560106 1.0256436 3768.1172
Loop time of 14.0171 on 1 procs for 50000 steps with 900 atoms
Pair time (%) = 8.39109 (59.8632)
Neigh time (%) = 1.62785 (11.6133)
Comm time (%) = 0.380158 (2.7121)
Outpt time (%) = 0.311819 (2.22456)
Other time (%) = 3.3062 (23.5868)
Nlocal: 900 ave 900 max 900 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 506 ave 506 max 506 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 6031 ave 6031 max 6031 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 6031
Ave neighs/atom = 6.70111
Neighbor list builds = 2778
Dangerous builds = 0
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