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lammps/examples/obstacle/log.obstacle.21May08.linux.4
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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)
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 1.0004177 0 0 0.68689281 0.46218884 1142.8674
1000 1 -0.31542378 0 0.3711822 1.175277 1269.5736
2000 1 -0.41219854 0 0.27440745 1.1491113 1299.751
3000 1 -0.47091634 0 0.21568964 1.5138975 1319.4646
4000 1 -0.53218028 0 0.1544257 1.4947487 1368.5894
5000 1 -0.46667863 0 0.21992736 1.2479263 1416.3743
6000 1 -0.48435058 0 0.20225541 1.1547645 1435.6664
7000 1 -0.45166298 0 0.23494301 1.2360154 1436.1059
8000 1 -0.42767328 0 0.2589327 1.0669461 1445.2577
9000 1 -0.3731244 0 0.31348158 1.0759192 1437.8863
10000 1 -0.38390694 0 0.30269904 1.0086513 1433.1836
11000 1 -0.38602215 0 0.30058383 0.97948448 1433.262
12000 1 -0.39324632 0 0.29335966 1.0627957 1439.8189
13000 1 -0.38406328 0 0.3025427 1.0506023 1450.2548
14000 1 -0.39923996 0 0.28736602 1.0593743 1453.5768
15000 1 -0.39243934 0 0.29416664 1.0295791 1451.2386
16000 1 -0.39115558 0 0.2954504 0.99442342 1452.2425
17000 1 -0.37672706 0 0.30987892 1.1334027 1446.7615
18000 1 -0.39587578 0 0.2907302 1.0416836 1451.6676
19000 1 -0.37159192 0 0.31501406 0.97004312 1453.7464
20000 1 -0.37573625 0 0.31086973 1.0174394 1456.2812
21000 1 -0.37788053 0 0.30872545 0.93039844 1468.4444
22000 1 -0.38096917 0 0.30563681 1.0034608 1464.2511
23000 1 -0.37098283 0 0.31562315 0.98141206 1460.3666
24000 1 -0.37160721 0 0.31499877 0.98831948 1462.133
25000 1 -0.39191532 0 0.29469067 1.0326092 1457.8187
Loop time of 7.66898 on 4 procs for 25000 steps with 769 atoms
Pair time (%) = 0.240548 (3.13664)
Neigh time (%) = 0.0541248 (0.705762)
Comm time (%) = 3.3025 (43.0631)
Outpt time (%) = 0.277801 (3.6224)
Other time (%) = 3.79401 (49.4721)
Nlocal: 192.25 ave 235 max 157 min
Histogram: 1 1 0 0 0 0 1 0 0 1
Nghost: 42.25 ave 46 max 38 min
Histogram: 1 0 0 0 0 1 1 0 0 1
Neighs: 401.25 ave 540 max 283 min
Histogram: 2 0 0 0 0 0 0 1 0 1
Total # of neighbors = 1605
Ave neighs/atom = 2.08713
Neighbor list builds = 1636
Dangerous builds = 0
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