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lammps/examples/obstacle/log.obstacle.5Oct07.linux.1
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LAMMPS (5 Oct 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 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 = 1.36032 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
0 1.0028598 0 0 0.68791746 0.4628783 1142.8674
1000 1 -0.37328511 0 0.31267068 1.3684627 1268.502
2000 1 -0.37505949 0 0.3108963 1.1534403 1304.1442
3000 1 -0.47919489 0 0.20676089 1.4549832 1322.0606
4000 1 -0.48849092 0 0.19746486 1.4619445 1361.4653
5000 1 -0.5158306 0 0.17012519 1.3415433 1399.8571
6000 1 -0.46839183 0 0.21756396 1.1363632 1433.3799
7000 1 -0.4934634 0 0.19249239 1.1974639 1438.8597
8000 1 -0.43365481 0 0.25230098 1.1237932 1444.8858
9000 1 -0.38250014 0 0.30345564 1.0808676 1445.4458
10000 1 -0.41296265 0 0.27299313 1.0868711 1444.8934
11000 1 -0.3906263 0 0.29532949 1.0008831 1443.6394
12000 1 -0.41935827 0 0.26659752 1.0104839 1435.183
13000 1 -0.35477192 0 0.33118387 0.94488941 1440.5498
14000 1 -0.39497861 0 0.29097718 1.072787 1435.3595
15000 1 -0.38656691 0 0.29938888 1.05116 1442.1287
16000 1 -0.37132523 0 0.31463056 1.0827132 1450.8796
17000 1 -0.37146616 0 0.31448963 1.1724883 1450.3808
18000 1 -0.38747606 0 0.29847973 1.0753661 1455.6913
19000 1 -0.37206204 0 0.31389375 1.0665364 1450.8326
20000 1 -0.39878843 0 0.28716736 1.0958347 1453.0454
21000 1 -0.36006462 0 0.32589117 0.92452983 1459.3281
22000 1 -0.36787908 0 0.3180767 0.9659935 1465.6707
23000 1 -0.36909747 0 0.31685831 0.9769748 1470.1647
24000 1 -0.38163837 0 0.30431741 0.99582238 1458.5709
25000 1 -0.38524202 0 0.30071376 0.96693615 1458.596
Loop time of 3.18151 on 1 procs for 25000 steps with 769 atoms
Pair time (%) = 0.885881 (27.8447)
Neigh time (%) = 0.198662 (6.24426)
Comm time (%) = 0.052001 (1.63448)
Outpt time (%) = 0.45079 (14.1691)
Other time (%) = 1.59418 (50.1075)
Nlocal: 769 ave 769 max 769 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 43 ave 43 max 43 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 1642 ave 1642 max 1642 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 1642
Ave neighs/atom = 2.13524
Neighbor list builds = 1639
Dangerous builds = 0
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