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lammps/examples/colloid/log.colloid.9Jan12.linux.4
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LAMMPS (10 Jan 2012)
# Big colloid particles and small LJ particles
units lj
atom_style sphere
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 MPI processor grid
create_atoms 1 box
Created 900 atoms
set group all type/fraction 2 0.96 23984
861 settings made for type/fraction
set type 1 mass 9
39 settings made for mass
set type 2 mass 1
861 settings made for mass
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 = 2.87079 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 0.01274853 2.156691 0.07399494 28660.577
6000 2.1073955 0.0076739854 2.1127279 0.09765736 21544.21
7000 2.084383 -0.002011532 2.0800555 0.11035732 17791.249
8000 2.0697462 -0.0035908236 2.0638557 0.12727264 15495.564
9000 2.0565713 0.005100289 2.0593865 0.14847835 13885.03
10000 2.0498621 0.0063267281 2.0539112 0.15879624 12601.99
11000 2.0438679 0.018955755 2.0605527 0.18959409 11490.646
12000 2.053458 0.0044167998 2.0555932 0.19336438 10572.921
13000 2.0429256 0.013698073 2.0543538 0.21707695 9791.7501
14000 2.0132501 0.042422704 2.0534359 0.27926827 9147.46
15000 2.0501152 0.0064708164 2.0543081 0.25954559 8659.5624
16000 2.0371395 0.017291634 2.0521676 0.27240923 8172.3226
17000 2.0267747 0.025623672 2.0501464 0.32046495 7767.5953
18000 2.0422824 0.014182115 2.0541954 0.30856342 7387.0945
19000 2.002713 0.050847562 2.0513354 0.3943075 7044.3881
20000 2.028578 0.02503956 2.0513636 0.35569094 6770.0283
21000 2.0222359 0.033814924 2.0538039 0.42126528 6523.5394
22000 2.0312713 0.024739786 2.0537541 0.41123899 6289.3329
23000 1.9999306 0.055831167 2.0535396 0.46845747 6092.6534
24000 2.0082371 0.050865049 2.0568708 0.45467368 5945.5344
25000 2.0184402 0.039542114 2.0557396 0.46077228 5776.9458
26000 2.0197538 0.046732692 2.0642423 0.57349226 5587.6764
27000 2.0225605 0.036043629 2.0563569 0.48998661 5465.5575
28000 2.0282806 0.029362245 2.0553892 0.46801488 5344.7841
29000 2.025716 0.035993945 2.0594592 0.53066607 5238.028
30000 2.0121673 0.054545747 2.0644773 0.62001526 5107.2201
31000 2.0208128 0.048119988 2.0666874 0.54439146 4994.3653
32000 2.0272104 0.045076806 2.0700348 0.63197584 4872.4903
33000 2.0107761 0.060072558 2.0686144 0.63025398 4766.141
34000 1.9980266 0.075358195 2.0711648 0.67880824 4677.1269
35000 2.0253327 0.048362443 2.0714448 0.64004324 4599.5201
36000 2.0118504 0.058973713 2.0685888 0.67459858 4529.9483
37000 2.0104548 0.065481203 2.0737022 0.80781793 4463.1985
38000 2.0125078 0.066003564 2.0762752 0.78305688 4377.6954
39000 2.0174905 0.063736966 2.0789858 0.70398438 4293.5819
40000 2.0275434 0.05243574 2.0777263 0.78595198 4236.8235
41000 1.9680044 0.10509725 2.070915 0.84301968 4224.0137
42000 2.0169009 0.071278882 2.0859388 0.78081027 4160.3455
43000 2.0404682 0.05026415 2.0884652 0.75914083 4061.9873
44000 2.016673 0.068784573 2.0832168 0.80476991 3996.8686
45000 1.9857998 0.10014888 2.0837422 0.90863992 3939.2325
46000 2.0071737 0.075441094 2.0803846 0.86595933 3918.6894
47000 2.0371945 0.055594532 2.0905255 0.88572726 3889.3681
48000 1.9981195 0.097729669 2.093629 1.0507251 3846.1939
49000 2.0047164 0.089245076 2.091734 0.96126669 3809.5319
50000 2.0028203 0.1069487 2.1075437 1.0114594 3741.7317
Loop time of 4.07413 on 4 procs for 50000 steps with 900 atoms
Pair time (%) = 1.10861 (27.2108)
Neigh time (%) = 0.293286 (7.19874)
Comm time (%) = 0.97903 (24.0304)
Outpt time (%) = 0.13185 (3.23627)
Other time (%) = 1.56136 (38.3238)
Nlocal: 225 ave 241 max 200 min
Histogram: 1 0 0 0 0 0 1 1 0 1
Nghost: 301 ave 311 max 289 min
Histogram: 1 0 0 0 1 0 0 1 0 1
Neighs: 1463 ave 1565 max 1310 min
Histogram: 1 0 0 0 0 0 1 1 0 1
Total # of neighbors = 5852
Ave neighs/atom = 6.50222
Neighbor list builds = 3126
Dangerous builds = 0
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