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lammps/examples/obstacle/log.obstacle.1Oct06.liberty.4
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LAMMPS (1 Oct 2006)
# 2d LJ obstacle flow
dimension 2
boundary p s p
atom_style atomic
neighbor 0.3 bin
neigh_modify delay 5
# create geometry
lattice hex 0.7
region box block 0 40 0 10 -0.25 0.25
create_box 3 box
Created box = (0 0 -0.321089) to (51.3743 22.2457 0.321089)
4 by 1 by 1 processor grid
create_atoms 1
Created 840 atoms
mass 1 1.0
mass 2 1.0
mass 3 1.0
# LJ potentials
pair_style lj/cut 1.12246
pair_coeff * * 1.0 1.0 1.12246
# define groups
region 1 block INF INF INF 1.25 INF INF
group lower region 1
120 atoms in group lower
region 2 block INF INF 8.75 INF INF INF
group upper region 2
120 atoms in group upper
group boundary union lower upper
240 atoms in group boundary
group flow subtract all boundary
600 atoms in group flow
set lower atom 2
120 settings made
set upper atom 3
120 settings made
# initial velocities
temperature mobile flow full
velocity flow create 1.0 482748 temp mobile
fix 1 all nve
fix 2 flow temp/rescale 200 1.0 1.0 0.02 1.0
fix_modify 2 temp mobile
# Poiselle flow
velocity boundary set 0.0 0.0 0.0
fix 3 lower setforce 0.0 0.0 0.0
fix 4 upper setforce 0.0 NULL 0.0
fix 5 upper aveforce 0.0 -0.5 0.0
fix 6 flow addforce 1.0 0.0 0.0
# 2 obstacles
region void1 sphere 10 4 0 3
delete_atoms region void1
Deleted 36 atoms, new total = 804
region void2 sphere 20 7 0 3
delete_atoms region void2
Deleted 37 atoms, new total = 767
fix 7 flow indent 100 sphere 10 4 0 4
fix 8 flow indent 100 sphere 20 7 0 4
fix 9 all enforce2d
# Run
timestep 0.003
thermo 1000
thermo_modify temp mobile
dump 1 all atom 100 dump.obstacle
#dump 1 all custom 100 dump.custom tag type x y z vx vy
run 25000
Memory usage per processor = 1.44234 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
0 1.0026027 0 0 0.68692013 0.47858472 733.92473
1000 1 -0.37738477 0 0.30775213 1.5583691 784.71717
2000 1 -0.41654339 0 0.26859351 1.4383017 811.91076
3000 1 -0.457908 0 0.22722889 1.4560268 840.96593
4000 1 -0.49703654 0 0.18810036 1.6667159 875.09273
5000 1 -0.5036762 0 0.18146069 1.5201858 896.06529
6000 1 -0.46146759 0 0.22366931 1.2626363 910.96886
7000 1 -0.45319553 0 0.23194137 1.2400164 919.79024
8000 1 -0.43703324 0 0.24810365 1.1687124 917.54854
9000 1 -0.41944398 0 0.26569292 1.1506946 919.08596
10000 1 -0.38212395 0 0.30301294 1.2159701 922.73564
11000 1 -0.40131109 0 0.2838258 1.0143617 928.59439
12000 1 -0.40729865 0 0.27783825 1.1463534 927.92228
13000 1 -0.40247949 0 0.28265741 1.0362177 932.66931
14000 1 -0.40708584 0 0.27805106 1.05021 931.20813
15000 1 -0.38885172 0 0.29628518 0.97302912 932.47567
16000 1 -0.36720972 0 0.31792717 1.0900379 929.29673
17000 1 -0.38146707 0 0.30366982 1.0608592 931.83222
18000 1 -0.38710515 0 0.29803175 0.91156243 940.47326
19000 1 -0.38215507 0 0.30298183 1.049551 937.81127
20000 1 -0.33197729 0 0.35315961 0.97020648 938.40346
21000 1 -0.33775592 0 0.34738098 1.0035901 932.85086
22000 1 -0.38733229 0 0.29780461 1.0175281 926.40207
23000 1 -0.35819884 0 0.32693805 1.0468418 927.63479
24000 1 -0.36327235 0 0.32186455 1.0859266 930.98575
25000 1 -0.41296958 0 0.27216731 1.0157726 929.59365
Loop time of 4.53299 on 4 procs for 25000 steps with 767 atoms
Pair time (%) = 0.355299 (7.83807)
Neigh time (%) = 0.1305 (2.87891)
Comm time (%) = 1.82422 (40.2431)
Outpt time (%) = 0.366969 (8.09551)
Other time (%) = 1.856 (40.9444)
Nlocal: 191.75 ave 243 max 152 min
Histogram: 1 1 0 0 0 1 0 0 0 1
Nghost: 41.75 ave 45 max 40 min
Histogram: 1 0 2 0 0 0 0 0 0 1
Neighs: 405.5 ave 588 max 272 min
Histogram: 2 0 0 0 0 0 1 0 0 1
Total # of neighbors = 1622
Ave neighs/atom = 2.11473
Neighbor list builds = 1613
Dangerous builds = 0
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