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lammps/examples/flow/log.flow.pois.10Sep10.linux.1
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LAMMPS (10 Sep 2010)
# 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 25 dump.flow
run 10000
Memory usage per processor = 1.68525 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
0 1 0 0 0.71190476 0.5232453 571.43371
500 1.0990751 -0.36396768 0 0.41846911 2.5229954 575.44891
1000 1 -0.34609791 0 0.36580685 1.9739861 584.56264
1500 1.2112861 -0.39062708 0 0.47169327 1.5221639 587.13863
2000 1 -0.39956949 0 0.31233527 1.2499009 582.89761
2500 1.2236323 -0.40128446 0 0.46982521 1.4279626 569.92814
3000 1 -0.48849341 0 0.22341135 1.5094342 553.53722
3500 1.2404531 -0.63017461 0 0.25290984 1.7684919 535.11692
4000 1 -0.71551408 0 -0.0036093194 2.2079801 516.62236
4500 1.2253142 -0.76279403 0 0.10951296 2.6160527 503.09551
5000 1 -0.79031676 0 -0.078411998 3.0921313 499.00007
5500 1.2025712 -0.74032174 0 0.11579442 2.5892112 502.06255
6000 1 -0.6581062 0 0.053798563 2.0984473 510.32132
6500 1.2126636 -0.65632165 0 0.20697931 2.0771501 515.46227
7000 1 -0.68607157 0 0.02583319 1.9548014 518.03757
7500 1.2318514 -0.64168507 0 0.23527579 1.8621166 515.41686
8000 1 -0.69622159 0 0.015683171 2.1564483 508.61671
8500 1.2204376 -0.74071986 0 0.12811549 2.3967887 501.80266
9000 1 -0.79193368 0 -0.080028922 2.4413256 499.77059
9500 1.2151255 -0.75195108 0 0.11310255 2.4315907 500.33116
10000 1 -0.76066018 0 -0.048755416 2.4113886 502.50751
Loop time of 0.764731 on 1 procs for 10000 steps with 420 atoms
Pair time (%) = 0.234223 (30.6282)
Neigh time (%) = 0.0379255 (4.95932)
Comm time (%) = 0.0148194 (1.93786)
Outpt time (%) = 0.256361 (33.523)
Other time (%) = 0.221402 (28.9516)
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: 1124 ave 1124 max 1124 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 1124
Ave neighs/atom = 2.67619
Neighbor list builds = 562
Dangerous builds = 0
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