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lammps/examples/flow/log.flow.couette.22Jun07.linux.1
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LAMMPS (22 June 2007)
# 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
Lattice spacing in x,y,z = 1.28436 2.22457 1.28436
region box block 0 20 0 10 -0.25 0.25
create_box 3 box
Created orthogonal box = (0 0 -0.321089) to (25.6871 22.2457 0.321089)
1 by 1 by 1 processor grid
create_atoms 1 box
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 group lower type 2
60 settings made for type
set group upper type 3
60 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
# 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 50 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 1.0604224 -0.31549525 0 0.4381621 3.1208962 366.96236
1000 1 -0.34356865 0 0.36714563 3.0305145 366.96236
1500 1.1738082 -0.382026 0 0.45221626 2.9197883 366.96236
2000 1 -0.42682511 0 0.28388918 2.8469183 366.96236
2500 1.0256109 -0.41905835 0 0.30985794 2.9371918 366.96236
3000 1 -0.47521752 0 0.23549677 2.5062527 366.96236
3500 1.1314909 -0.4206347 0 0.38353207 2.7478302 366.96236
4000 1 -0.43576251 0 0.27495178 2.6141195 366.96236
4500 1.0005992 -0.42588084 0 0.28525931 2.7421664 366.96236
5000 1 -0.42282912 0 0.28788516 2.7688981 366.96236
5500 1.0686835 -0.4761288 0 0.28339982 2.5689028 366.96236
6000 1 -0.42978507 0 0.28092922 2.6551983 366.96236
6500 1.0786904 -0.43713715 0 0.3295035 2.5141669 366.96236
7000 1 -0.4121221 0 0.29859218 2.594973 366.96236
7500 1.0939854 -0.40293252 0 0.37457856 2.6974983 366.96236
8000 1 -0.45181425 0 0.25890004 2.6049049 366.96236
8500 1.0257333 -0.400669 0 0.32833428 2.5577387 366.96236
9000 1 -0.42858125 0 0.28213304 2.5725646 366.96236
9500 1.0823613 -0.38920599 0 0.38004366 2.6543624 366.96236
10000 1 -0.42341732 0 0.28729697 2.4806728 366.96236
Loop time of 2.27165 on 1 procs for 10000 steps with 420 atoms
Pair time (%) = 0.707011 (31.1232)
Neigh time (%) = 0.278071 (12.2409)
Comm time (%) = 0.108514 (4.77687)
Outpt time (%) = 0.425657 (18.7377)
Other time (%) = 0.752402 (33.1213)
Nlocal: 420 ave 420 max 420 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 50 ave 50 max 50 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 955 ave 955 max 955 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 955
Ave neighs/atom = 2.27381
Neighbor list builds = 1003
Dangerous builds = 0
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