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lammps/examples/flow/log.flow.pois.18Feb13.linux.1
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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)
1 by 1 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 1.5
#dump_modify 1 pad 5
run 10000
Memory usage per processor = 2.06376 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
0 1 0 0 0.71190476 0.52314537 571.54286
500 1.0990751 -0.36396768 0 0.41846911 2.522517 575.55806
1000 1 -0.34609791 0 0.36580685 1.9736175 584.67179
1500 1.2112861 -0.39062708 0 0.47169327 1.521881 587.24778
2000 1 -0.39956949 0 0.31233527 1.2496669 583.00676
2500 1.2236323 -0.40128446 0 0.46982521 1.4276891 570.03729
3000 1 -0.48849341 0 0.22341135 1.5091366 553.64637
3500 1.2404531 -0.63017461 0 0.25290984 1.7681313 535.22607
4000 1 -0.71551407 0 -0.003609313 2.2075137 516.73151
4500 1.2253143 -0.76279415 0 0.10951296 2.6154841 503.20466
5000 1 -0.79031519 0 -0.078410425 3.0914492 499.10917
5500 1.2025432 -0.74031121 0 0.115785 2.5889437 502.17138
6000 1 -0.64454518 0 0.067359583 2.0907022 510.47702
6500 1.2112733 -0.65703634 0 0.20527486 2.054449 515.41213
7000 1 -0.61856581 0 0.093338954 1.9843361 516.79512
7500 1.2212907 -0.67431193 0 0.19513077 1.9939559 517.17301
8000 1 -0.69966668 0 0.012238083 2.1559293 510.52934
8500 1.2245982 -0.73461969 0 0.13717758 2.4482542 506.2679
9000 1 -0.697338 0 0.014566762 2.4757604 503.86953
9500 1.1882 -0.66622491 0 0.17966032 2.3295348 505.67684
10000 1 -0.70364194 0 0.008262826 2.218568 507.64681
Loop time of 0.328633 on 1 procs for 10000 steps with 420 atoms
Pair time (%) = 0.139281 (42.3819)
Neigh time (%) = 0.028775 (8.75596)
Comm time (%) = 0.00759435 (2.31089)
Outpt time (%) = 0.000191689 (0.058329)
Other time (%) = 0.152791 (46.493)
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: 1116 ave 1116 max 1116 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 1116
Ave neighs/atom = 2.65714
Neighbor list builds = 563
Dangerous builds = 0
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