Homec4science
Diffusion lammps (lammm-master) Browse

lammps/examples/obstacle/log.obstacle.1Feb14.linux.1
7035998d015blammm-master

Last Change
Raw File

log.obstacle.1Feb14.linux.1
View Options

LAMMPS (1 Feb 2014)
# 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 MPI 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
WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:439)
#dump 1 all atom 100 dump.obstacle
#dump 2 all image 500 image.*.jpg type type # zoom 1.6 adiam 1.5
#dump_modify 2 pad 5
#dump 3 all movie 500 movie.mpg type type # zoom 1.6 adiam 1.5
#dump_modify 3 pad 5
run 25000
Memory usage per processor = 2.06342 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
0 1.0027471 0 0 0.68849216 0.46317653 1143.0857
1000 1 -0.33689286 0 0.34971312 1.2905426 1286.7728
2000 1 -0.36746164 0 0.31914434 1.1668828 1313.44
3000 1 -0.52004751 0 0.16655848 1.4177739 1324.489
4000 1 -0.50683869 0 0.17976729 1.4851498 1370.896
5000 1 -0.49074513 0 0.19586085 1.2870129 1411.5513
6000 1 -0.45051896 0 0.23608702 1.2173953 1441.7581
7000 1 -0.44428914 0 0.24231685 1.2136189 1451.7268
8000 1 -0.41943736 0 0.26716862 1.0476856 1463.0805
9000 1 -0.42143857 0 0.26516741 1.1040812 1449.7584
10000 1 -0.40181705 0 0.28478893 0.97148485 1448.5974
11000 1 -0.4088962 0 0.27770978 1.1761219 1440.3567
12000 1 -0.38630717 0 0.30029881 1.0593811 1444.9934
13000 1 -0.37152911 0 0.31507687 0.98075952 1448.0726
14000 1 -0.37370096 0 0.31290502 1.0046443 1449.4749
15000 1 -0.39915937 0 0.28744662 1.0240313 1452.3583
16000 1 -0.37562636 0 0.31097963 1.0053468 1452.3514
17000 1 -0.35736161 0 0.32924437 1.070682 1452.898
18000 1 -0.38767402 0 0.29893196 1.0418661 1456.1288
19000 1 -0.38489181 0 0.30171417 1.0361798 1446.8804
20000 1 -0.39521864 0 0.29138735 1.0754044 1447.4619
21000 1 -0.37845983 0 0.30814615 1.0072922 1453.8721
22000 1 -0.40926684 0 0.27733914 1.0929362 1452.8181
23000 1 -0.3586683 0 0.32793768 1.006092 1459.6104
24000 1 -0.38908821 0 0.29751777 0.95291948 1464.8522
25000 1 -0.38890426 0 0.29770172 0.95284427 1455.9361
Loop time of 1.70272 on 1 procs for 25000 steps with 769 atoms
Pair time (%) = 0.496648 (29.1678)
Neigh time (%) = 0.140946 (8.27769)
Comm time (%) = 0.0254805 (1.49646)
Outpt time (%) = 0.000277758 (0.0163125)
Other time (%) = 1.03937 (61.0417)
Nlocal: 769 ave 769 max 769 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 48 ave 48 max 48 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 1624 ave 1624 max 1624 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 1624
Ave neighs/atom = 2.11183
Neighbor list builds = 1642
Dangerous builds = 0
c4science · Help