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lammps/examples/flow/log.flow.poiss.1Oct06.linux.1
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LAMMPS (1 Oct 2006)
# 2-d LJ flow simulation
dimension 2
boundary p s p
atom_style atomic
neighbor 0.3 bin
neigh_modify delay 5
# create geometry
lattice hex 0.7
region box block 0 20 0 10 -0.25 0.25
create_box 3 box
Created box = (0 0 -0.321089) to (25.6871 22.2457 0.321089)
1 by 1 by 1 processor grid
create_atoms 1
Created 420 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
60 atoms in group lower
region 2 block INF INF 8.75 INF INF INF
group upper region 2
60 atoms in group upper
group boundary union lower upper
120 atoms in group boundary
group flow subtract all boundary
300 atoms in group flow
set lower atom 2
60 settings made
set upper atom 3
60 settings made
# initial velocities
temperature mobile flow full
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
# Couette flow
#velocity lower set 0.0 0.0 0.0
#velocity upper set 3.0 0.0 0.0
#fix 3 boundary setforce 0.0 0.0 0.0
#fix 4 all enforce2d
# Poisseuille 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 -1.0 0.0
fix 6 flow addforce 0.5 0.0 0.0
fix 7 all enforce2d
# Run
timestep 0.003
thermo 500
thermo_modify temp mobile
dump 1 all atom 25 dump.flow
run 10000
Memory usage per processor = 1.45035 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
0 1 0 0 0.71071429 0.54228995 366.96236
500 1.1036177 -0.37435595 0 0.4100009 2.6003586 369.52344
1000 1 -0.40278179 0 0.30793249 2.0566706 375.56836
1500 1.2346487 -0.41204291 0 0.46543956 1.6254791 376.55032
2000 1 -0.40773469 0 0.3029796 1.5174808 374.73899
2500 1.2225527 -0.43831256 0 0.43057311 1.538442 366.48806
3000 1 -0.49535329 0 0.215361 1.5818851 355.29346
3500 1.2493652 -0.59970719 0 0.28823452 1.7494829 344.5223
4000 1 -0.67604277 0 0.034671516 2.0751068 332.82226
4500 1.1963622 -0.74392294 0 0.10634877 2.9790662 322.98092
5000 1 -0.77322139 0 -0.062507105 3.3772359 320.78002
5500 1.2048992 -0.77634312 0 0.079995929 2.9951611 324.35044
6000 1 -0.68526989 0 0.025444398 2.3511721 331.72304
6500 1.2079513 -0.59742461 0 0.26108363 1.8598207 336.52669
7000 1 -0.60208737 0 0.10862692 1.9011673 336.55357
7500 1.2390152 -0.68215629 0 0.19842954 1.9783028 333.8701
8000 1 -0.69342292 0 0.01729137 2.3176685 328.52309
8500 1.23233 -0.69508948 0 0.18074504 2.4605225 324.4685
9000 1 -0.78017888 0 -0.069464593 2.5102443 323.83769
9500 1.2049045 -0.78839912 0 0.067943719 2.6572163 323.67252
10000 1 -0.72912664 0 -0.018412351 2.4438564 325.74175
Loop time of 2.71301 on 1 procs for 10000 steps with 420 atoms
Pair time (%) = 0.850197 (31.3377)
Neigh time (%) = 0.171296 (6.31386)
Comm time (%) = 0.096819 (3.56869)
Outpt time (%) = 0.824351 (30.3851)
Other time (%) = 0.770352 (28.3947)
Nlocal: 420 ave 420 max 420 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 47 ave 47 max 47 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 1117 ave 1117 max 1117 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 1117
Ave neighs/atom = 2.65952
Neighbor list builds = 558
Dangerous builds = 0
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