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lammps/examples/flow/log.flow.poiss.21May08.linux.1
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LAMMPS (21 May 2008)
# 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 1.2404529 -0.63017441 0 0.25290988 1.7684925 535.11692
4000 1 -0.71550459 0 -0.0035998233 2.2080667 516.62241
4500 1.2252925 -0.76523375 0 0.10705778 2.6150526 503.09392
5000 1 -0.79183795 0 -0.079933193 3.0396463 499.00782
5500 1.2154662 -0.76641284 0 0.098883321 2.5749248 501.79835
6000 1 -0.64579024 0 0.066114526 2.1632023 511.927
6500 1.2040094 -0.67569325 0 0.18144675 1.988296 515.52367
7000 1 -0.67495483 0 0.036949936 1.8145292 515.56679
7500 1.224424 -0.70211643 0 0.16955688 1.9563915 513.39341
8000 1 -0.68750419 0 0.024400573 2.2133264 508.15889
8500 1.1991285 -0.81030024 0 0.04336508 2.5391079 501.58914
9000 1 -0.79950245 0 -0.087597685 2.5700917 498.68874
9500 1.2060053 -0.68460543 0 0.17395548 2.4774286 501.9809
10000 1 -0.7187822 0 -0.0068774412 2.1346851 507.66533
Loop time of 0.73335 on 1 procs for 10000 steps with 420 atoms
Pair time (%) = 0.235934 (32.1721)
Neigh time (%) = 0.0389028 (5.3048)
Comm time (%) = 0.0151122 (2.0607)
Outpt time (%) = 0.239849 (32.7059)
Other time (%) = 0.203552 (27.7565)
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: 1126 ave 1126 max 1126 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 1126
Ave neighs/atom = 2.68095
Neighbor list builds = 560
Dangerous builds = 0
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