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lammps/examples/obstacle/log.obstacle.21May08.linux.1
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LAMMPS (21 May 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)
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 = 1.70365 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
0 1.0027471 0 0 0.68849216 0.463265 1142.8674
1000 1 -0.33974838 0 0.3468576 1.3038702 1270.08
2000 1 -0.39015699 0 0.296449 1.3186607 1302.3377
3000 1 -0.46396059 0 0.22264539 1.4481737 1319.6122
4000 1 -0.5496054 0 0.13700058 1.4226554 1363.8627
5000 1 -0.48050604 0 0.20609995 1.2559184 1407.1184
6000 1 -0.48128066 0 0.20532532 1.269977 1433.5837
7000 1 -0.40707539 0 0.2795306 1.1836577 1441.9606
8000 1 -0.43843955 0 0.24816644 1.1680682 1445.6274
9000 1 -0.37805786 0 0.30854812 1.0549192 1453.6089
10000 1 -0.40408007 0 0.28252592 1.0810363 1446.2246
11000 1 -0.42972416 0 0.25688183 1.1044938 1443.9994
12000 1 -0.41545586 0 0.27115012 1.1307776 1447.7388
13000 1 -0.36928332 0 0.31732266 0.97287103 1456.3013
14000 1 -0.40912145 0 0.27748454 0.95493422 1459.6415
15000 1 -0.37477252 0 0.31183347 1.0249663 1468.7959
16000 1 -0.38531111 0 0.30129487 1.0220375 1462.2135
17000 1 -0.37376992 0 0.31283607 0.97728961 1461.4028
18000 1 -0.37434423 0 0.31226175 0.96886643 1463.9162
19000 1 -0.36998688 0 0.3166191 0.91573344 1462.3663
20000 1 -0.34624142 0 0.34036456 0.9870418 1458.2772
21000 1 -0.39671499 0 0.28989099 1.0313285 1453.5442
22000 1 -0.35842296 0 0.32818302 0.98937969 1454.5928
23000 1 -0.36252176 0 0.32408422 0.98605146 1457.477
24000 1 -0.38519815 0 0.30140784 1.0132503 1466.8342
25000 1 -0.38889832 0 0.29770766 0.99272161 1462.2441
Loop time of 3.01278 on 1 procs for 25000 steps with 769 atoms
Pair time (%) = 0.867625 (28.7981)
Neigh time (%) = 0.200178 (6.64429)
Comm time (%) = 0.0479047 (1.59005)
Outpt time (%) = 0.27641 (9.17456)
Other time (%) = 1.62067 (53.793)
Nlocal: 769 ave 769 max 769 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: 1615 ave 1615 max 1615 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 1615
Ave neighs/atom = 2.10013
Neighbor list builds = 1636
Dangerous builds = 0
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