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lammps/examples/obstacle/log.obstacle.22Jan08.linux.4
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LAMMPS (22 Jan 2008)
# 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
Lattice spacing in x,y,z = 1.28436 2.22457 1.28436
region box block 0 40 0 10 -0.25 0.25
create_box 3 box
Created orthogonal box = (0 0 -0.321089) to (51.3743 22.2457 0.321089)
4 by 1 by 1 processor grid
create_atoms 1 box
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 group lower type 2
120 settings made for type
set group upper type 3
120 settings made for type
# initial velocities
compute mobile flow temp
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 35 atoms, new total = 769
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 = 1.6747 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
0 1.0005301 0 0 0.68631944 0.46180304 1142.8674
1000 1 -0.2948784 0 0.39107738 1.1626002 1268.8767
2000 1 -0.34841619 0 0.3375396 1.1178514 1300.3744
3000 1 -0.45198006 0 0.23397572 1.5104251 1319.535
4000 1 -0.4930904 0 0.19286538 1.5054789 1359.7954
5000 1 -0.49437088 0 0.19158491 1.5038965 1397.2548
6000 1 -0.4538845 0 0.23207128 1.2100734 1429.6759
7000 1 -0.46715598 0 0.2187998 1.1832386 1441.9733
8000 1 -0.4490541 0 0.23690168 1.1504605 1441.328
9000 1 -0.41648732 0 0.26946847 1.1453723 1437.0673
10000 1 -0.3776725 0 0.30828328 1.080226 1434.3847
11000 1 -0.4189651 0 0.26699069 1.0496379 1435.2496
12000 1 -0.39688957 0 0.28906621 1.0443611 1440.7218
13000 1 -0.38977976 0 0.29617602 1.0309823 1460.2618
14000 1 -0.38124839 0 0.30470739 1.0195507 1463.0566
15000 1 -0.35208681 0 0.33386897 0.93784921 1466.2431
16000 1 -0.41112084 0 0.27483495 1.0717681 1465.3625
17000 1 -0.36742687 0 0.31852892 1.0452766 1466.8819
18000 1 -0.38418683 0 0.30176896 0.94933535 1464.1674
19000 1 -0.38168345 0 0.30427234 0.97892386 1457.3935
20000 1 -0.37778426 0 0.30817153 1.0205159 1452.8383
21000 1 -0.3778136 0 0.30814218 1.07933 1449.0972
22000 1 -0.36663586 0 0.31931993 0.93798261 1452.0117
23000 1 -0.39885464 0 0.28710115 1.0286456 1449.9107
24000 1 -0.40766765 0 0.27828813 1.138272 1451.4717
25000 1 -0.36180623 0 0.32414956 0.91494742 1464.0945
Loop time of 9.24974 on 4 procs for 25000 steps with 769 atoms
Pair time (%) = 0.269292 (2.91135)
Neigh time (%) = 0.0605692 (0.654821)
Comm time (%) = 4.36665 (47.2083)
Outpt time (%) = 0.31033 (3.35502)
Other time (%) = 4.2429 (45.8705)
Nlocal: 192.25 ave 244 max 151 min
Histogram: 1 1 0 0 0 1 0 0 0 1
Nghost: 43 ave 45 max 41 min
Histogram: 1 0 0 0 0 2 0 0 0 1
Neighs: 399.25 ave 566 max 263 min
Histogram: 1 1 0 0 0 0 1 0 0 1
Total # of neighbors = 1597
Ave neighs/atom = 2.07672
Neighbor list builds = 1638
Dangerous builds = 0
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