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lammps/examples/obstacle/log.obstacle.22Jun07.linux.1
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LAMMPS (22 June 2007)
# 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)
1 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 35 atoms, new total = 805
region void2 sphere 20 7 0 3
delete_atoms region void2
Deleted 35 atoms, new total = 770
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 = 1.4637 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
0 1.0087541 0 0 0.69237216 0.48426997 733.92473
1000 1 -0.37498059 0 0.31138304 1.5619007 780.16609
2000 1 -0.42018277 0 0.26618087 1.381975 813.7446
3000 1 -0.49158436 0 0.19477928 1.4950838 846.60042
4000 1 -0.50974647 0 0.17661717 1.6968335 877.90837
5000 1 -0.48739676 0 0.19896688 1.372862 906.72222
6000 1 -0.45489776 0 0.23146588 1.1850408 922.1588
7000 1 -0.44298261 0 0.24338103 1.2353271 922.55214
8000 1 -0.39106076 0 0.29530287 1.2129774 923.79013
9000 1 -0.36894699 0 0.31741665 1.1022787 925.88908
10000 1 -0.40366483 0 0.28269881 1.0425088 924.55991
11000 1 -0.37662826 0 0.30973537 1.0605386 924.15634
12000 1 -0.39748408 0 0.28887956 1.1069709 926.1591
13000 1 -0.40533845 0 0.28102518 1.0999422 931.71451
14000 1 -0.39364952 0 0.29271412 0.98434706 935.98322
15000 1 -0.38545757 0 0.30090607 1.0288972 936.10741
16000 1 -0.34970581 0 0.33665783 1.0686207 939.12879
17000 1 -0.35935376 0 0.32700987 0.96188021 939.41127
18000 1 -0.38218429 0 0.30417934 0.97219528 939.42804
19000 1 -0.35002145 0 0.33634218 0.96884865 941.93045
20000 1 -0.37936966 0 0.30699398 1.0604325 935.73258
21000 1 -0.3797544 0 0.30660924 1.0525308 936.59648
22000 1 -0.37015981 0 0.31620383 1.0908613 935.05927
23000 1 -0.39940438 0 0.28695925 1.0860163 932.28118
24000 1 -0.36738604 0 0.3189776 0.97212319 936.04359
25000 1 -0.36023241 0 0.32613123 1.0971047 938.21817
Loop time of 9.91214 on 1 procs for 25000 steps with 770 atoms
Pair time (%) = 3.48576 (35.1666)
Neigh time (%) = 0.841295 (8.48752)
Comm time (%) = 0.288146 (2.907)
Outpt time (%) = 0.994089 (10.029)
Other time (%) = 4.30285 (43.4099)
Nlocal: 770 ave 770 max 770 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 45 ave 45 max 45 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 1637 ave 1637 max 1637 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 1637
Ave neighs/atom = 2.12597
Neighbor list builds = 1632
Dangerous builds = 0
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