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lammps/examples/flow/log.flow.poiss.12Feb07.liberty.4
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LAMMPS (12 Feb 2007)
# 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 box = (0 0 -0.321089) to (25.6871 22.2457 0.321089)
2 by 2 by 1 processor grid
create_atoms 1
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 lower atom 2
60 settings made
set upper atom 3
60 settings made
# 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 = 1.44615 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
0 1 0 0 0.71071429 0.54228995 366.96236
500 1.0778761 -0.35048279 0 0.41557918 2.8792129 369.20271
1000 1 -0.38740705 0 0.32330724 2.2684877 375.93354
1500 1.2052679 -0.37768559 0 0.47891551 1.6193029 376.17118
2000 1 -0.38060118 0 0.33011311 1.4972142 371.27032
2500 1.2211446 -0.39689946 0 0.47098548 1.5612989 364.09539
3000 1 -0.46394625 0 0.24676803 1.5629864 356.17691
3500 1.2338136 -0.5721878 0 0.30470115 1.8177807 344.96808
4000 1 -0.69530976 0 0.015404522 2.3144776 333.06418
4500 1.2279548 -0.72662695 0 0.14609808 2.9985939 323.55709
5000 1 -0.81185506 0 -0.10114077 3.1833009 321.19482
5500 1.2171627 -0.73966198 0 0.12539291 2.711954 325.39659
6000 1 -0.66983997 0 0.040874311 2.1579634 329.73937
6500 1.2267682 -0.66743744 0 0.20444422 2.1114545 331.88829
7000 1 -0.64509348 0 0.065620807 1.9028431 332.49532
7500 1.2202538 -0.6816503 0 0.18560148 2.1227978 329.88213
8000 1 -0.72110847 0 -0.010394181 2.3587956 327.78501
8500 1.2103845 -0.76502979 0 0.095207788 2.5823624 325.21722
9000 1 -0.75191645 0 -0.041202164 2.4020904 324.81713
9500 1.2094179 -0.74196652 0 0.11758403 2.5289414 326.12345
10000 1 -0.7568777 0 -0.046163412 2.5601376 326.60462
Loop time of 2.55875 on 4 procs for 10000 steps with 420 atoms
Pair time (%) = 0.0984794 (3.84874)
Neigh time (%) = 0.0253601 (0.991114)
Comm time (%) = 1.34455 (52.547)
Outpt time (%) = 0.313694 (12.2597)
Other time (%) = 0.776668 (30.3534)
Nlocal: 105 ave 106 max 103 min
Histogram: 1 0 0 0 0 0 1 0 0 2
Nghost: 43.75 ave 45 max 41 min
Histogram: 1 0 0 0 0 0 0 1 0 2
Neighs: 276.5 ave 291 max 256 min
Histogram: 1 0 0 1 0 0 0 0 0 2
Total # of neighbors = 1106
Ave neighs/atom = 2.63333
Neighbor list builds = 553
Dangerous builds = 0
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