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lammps/examples/flow/log.flow.couette.18Feb13.linux.4
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LAMMPS (18 Feb 2013)
# 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)
2 by 2 by 1 MPI 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
# Poiseuille 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
WARNING: Temperature for thermo pressure is not for group all (thermo.cpp:436)
#dump 1 all atom 500 dump.flow
#dump 1 all image 100 image.*.jpg type type # zoom 1.6 adiam 1.2
#dump_modify 1 pad 5
run 10000
Memory usage per processor = 2.06627 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
0 1 0 0 0.71190476 0.52314537 571.54286
500 1.0951876 -0.33403931 0 0.44562996 3.2502319 571.54286
1000 1 -0.3731019 0 0.33880286 2.8561715 571.54286
1500 1.0366879 -0.36031105 0 0.37771198 3.0196355 571.54286
2000 1 -0.41052955 0 0.30137522 2.865194 571.54286
2500 1.1228407 -0.37042187 0 0.4289338 2.9445246 571.54286
3000 1 -0.38445444 0 0.32745032 2.5935182 571.54286
3500 0.9837004 -0.45271556 0 0.24758544 2.7982195 571.54286
4000 1 -0.39733214 0 0.31457262 2.5610834 571.54286
4500 1.1185501 -0.40471335 0 0.39158777 2.4136693 571.54286
5000 1 -0.41474863 0 0.29715613 2.5475686 571.54286
5500 1.0417966 -0.3742507 0 0.36740927 2.4667154 571.54286
6000 1 -0.45012825 0 0.26177652 2.569894 571.54286
6500 1.1544519 -0.3964682 0 0.42539161 2.5635202 571.54286
7000 1 -0.44665963 0 0.26524513 2.4335307 571.54286
7500 0.97729968 -0.47377977 0 0.22196453 2.7482936 571.54286
8000 1 -0.42864525 0 0.28325951 2.3927949 571.54286
8500 1.0967901 -0.40513897 0 0.37567113 2.612602 571.54286
9000 1 -0.3847711 0 0.32713366 2.6900106 571.54286
9500 1.0085423 -0.4393538 0 0.27863229 2.4411599 571.54286
10000 1 -0.44847346 0 0.26343131 2.4997148 571.54286
Loop time of 0.160618 on 4 procs for 10000 steps with 420 atoms
Pair time (%) = 0.032594 (20.2929)
Neigh time (%) = 0.0132387 (8.24237)
Comm time (%) = 0.070047 (43.6109)
Outpt time (%) = 0.00035125 (0.218687)
Other time (%) = 0.044387 (27.6351)
Nlocal: 105 ave 115 max 94 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Nghost: 40.25 ave 43 max 39 min
Histogram: 2 0 1 0 0 0 0 0 0 1
Neighs: 235.75 ave 297 max 170 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Total # of neighbors = 943
Ave neighs/atom = 2.24524
Neighbor list builds = 965
Dangerous builds = 0
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