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lammps/examples/obstacle/log.obstacle.9Jan12.linux.4
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LAMMPS (10 Jan 2012)
# 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 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:442)
dump 1 all atom 100 dump.obstacle
#dump 1 all custom 100 dump.custom id type x y z vx vy
run 25000
Memory usage per processor = 2.0558 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
0 1.0004177 0 0 0.68689281 0.46218884 1142.8674
1000 1 -0.32494012 0 0.36166587 1.2242587 1282.3056
2000 1 -0.37815616 0 0.30844982 1.0644647 1312.3508
3000 1 -0.49062349 0 0.1959825 1.524186 1322.0444
4000 1 -0.50104961 0 0.18555637 1.4608096 1367.4322
5000 1 -0.46523216 0 0.22137383 1.3335657 1406.7051
6000 1 -0.47059773 0 0.21600825 1.2548634 1423.0902
7000 1 -0.44657953 0 0.24002645 1.106616 1436.7658
8000 1 -0.43539162 0 0.25121437 1.0742654 1442.8753
9000 1 -0.38186467 0 0.30474131 1.0117035 1447.3876
10000 1 -0.39896866 0 0.28763732 1.0524893 1446.5995
11000 1 -0.37849424 0 0.30811174 1.0893542 1442.4734
12000 1 -0.39472467 0 0.29188132 1.0838529 1443.7807
13000 1 -0.37490702 0 0.31169896 1.1173928 1457.8891
14000 1 -0.36757971 0 0.31902627 1.027341 1463.8882
15000 1 -0.40485222 0 0.28175376 1.0862575 1461.3309
16000 1 -0.38136304 0 0.30524295 1.0094705 1460.0656
17000 1 -0.37412919 0 0.3124768 0.99444621 1458.5668
18000 1 -0.36780296 0 0.31880302 0.99102309 1454.7293
19000 1 -0.36676642 0 0.31983956 0.98342341 1456.8015
20000 1 -0.39037633 0 0.29622965 1.0065285 1458.0052
21000 1 -0.37528404 0 0.31132195 0.93202146 1457.1218
22000 1 -0.40600625 0 0.28059973 1.0458453 1457.5121
23000 1 -0.37632791 0 0.31027808 0.91482419 1461.225
24000 1 -0.37066269 0 0.31594329 0.97118976 1456.6596
25000 1 -0.39711429 0 0.28949169 0.99340063 1456.4638
Loop time of 0.985739 on 4 procs for 25000 steps with 769 atoms
Pair time (%) = 0.12752 (12.9365)
Neigh time (%) = 0.0371044 (3.76412)
Comm time (%) = 0.235177 (23.858)
Outpt time (%) = 0.113567 (11.521)
Other time (%) = 0.47237 (47.9204)
Nlocal: 192.25 ave 234 max 156 min
Histogram: 1 1 0 0 0 0 0 1 0 1
Nghost: 42 ave 50 max 38 min
Histogram: 2 0 1 0 0 0 0 0 0 1
Neighs: 405 ave 561 max 281 min
Histogram: 2 0 0 0 0 0 0 1 0 1
Total # of neighbors = 1620
Ave neighs/atom = 2.10663
Neighbor list builds = 1629
Dangerous builds = 1
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