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lammps/examples/flow/log.flow.pois.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 1.5
#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 1.0758737 -0.36090417 0 0.40501541 2.7822308 575.0659
1000 1 -0.35701441 0 0.35489035 2.0575313 585.71407
1500 1.2368663 -0.37709732 0 0.50343367 1.4865879 587.193
2000 1 -0.39362939 0 0.31827537 1.4236 578.9418
2500 1.2272957 -0.423819 0 0.44989866 1.454461 570.15856
3000 1 -0.49143403 0 0.22047073 1.5345951 554.98633
3500 1.2444908 -0.59761803 0 0.28834092 1.875379 537.01606
4000 1 -0.70133161 0 0.010573147 2.1395416 521.46845
4500 1.2212352 -0.74763375 0 0.1217694 2.7598268 507.63512
5000 1 -0.7889135 0 -0.077008742 2.9809426 501.21601
5500 1.1965673 -0.78262115 0 0.069220825 2.8192028 505.3984
6000 1 -0.71434201 0 -0.0024372499 2.346053 512.05291
6500 1.203859 -0.67621716 0 0.18081576 2.1621043 518.624
7000 1 -0.66493592 0 0.046968842 1.8459166 519.01312
7500 1.2065975 -0.69903932 0 0.15994317 2.0439995 515.42888
8000 1 -0.71320172 0 -0.0012969589 2.1303566 511.98833
8500 1.2146567 -0.72062191 0 0.144098 2.4268382 504.80659
9000 1 -0.74806158 0 -0.036156822 2.5758196 502.43487
9500 1.1970932 -0.73220717 0 0.1200092 2.585169 504.06803
10000 1 -0.71105178 0 0.00085297794 2.3528576 507.92052
Loop time of 0.230103 on 4 procs for 10000 steps with 420 atoms
Pair time (%) = 0.0363874 (15.8136)
Neigh time (%) = 0.00789845 (3.43258)
Comm time (%) = 0.0856229 (37.2107)
Outpt time (%) = 0.000398636 (0.173243)
Other time (%) = 0.0997953 (43.3699)
Nlocal: 105 ave 107 max 103 min
Histogram: 1 0 0 0 0 2 0 0 0 1
Nghost: 42.75 ave 46 max 37 min
Histogram: 1 0 0 0 0 0 0 2 0 1
Neighs: 276.5 ave 295 max 257 min
Histogram: 1 0 1 0 0 0 0 0 1 1
Total # of neighbors = 1106
Ave neighs/atom = 2.63333
Neighbor list builds = 564
Dangerous builds = 0
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