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lammps/examples/friction/log.15Feb16.friction.g++.1
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LAMMPS (15 Feb 2016)
# 2d friction simulation
dimension 2
boundary p s p
atom_style atomic
neighbor 0.3 bin
neigh_modify delay 5
# create geometry
lattice hex 0.9
Lattice spacing in x,y,z = 1.1327 1.96189 1.1327
region box block 0 50 0 22 -0.25 0.25
create_box 4 box
Created orthogonal box = (0 0 -0.283174) to (56.6348 43.1615 0.283174)
1 by 1 by 1 MPI processor grid
mass 1 1.0
mass 2 1.0
mass 3 1.0
mass 4 1.0
# atom regions
region lo-fixed block INF INF INF 1.1 INF INF
region lo-slab block INF INF INF 7 INF INF
region above-lo block INF INF INF 7 INF INF side out
region hi-fixed block INF INF 20.9 INF INF INF
region hi-slab block INF INF 15 INF INF INF
region below-hi block INF INF 15 INF INF INF side out
region lo-asperity sphere 32 7 0 8
region hi-asperity sphere 18 15 0 8
region lo-half-sphere intersect 2 lo-asperity above-lo
region hi-half-sphere intersect 2 hi-asperity below-hi
# create 2 surfaces with asperities
create_atoms 1 region lo-slab
Created 750 atoms
create_atoms 1 region hi-slab
Created 750 atoms
create_atoms 2 region lo-half-sphere
Created 112 atoms
create_atoms 3 region hi-half-sphere
Created 112 atoms
# LJ potentials
pair_style lj/cut 2.5
pair_coeff * * 1.0 1.0 2.5
# define groups
group lo region lo-slab
750 atoms in group lo
group lo type 2
862 atoms in group lo
group hi region hi-slab
750 atoms in group hi
group hi type 3
862 atoms in group hi
group lo-fixed region lo-fixed
150 atoms in group lo-fixed
group hi-fixed region hi-fixed
150 atoms in group hi-fixed
group boundary union lo-fixed hi-fixed
300 atoms in group boundary
group mobile subtract all boundary
1424 atoms in group mobile
set group lo-fixed type 4
150 settings made for type
set group hi-fixed type 4
150 settings made for type
# initial velocities
compute new mobile temp/partial 0 1 0
velocity mobile create 0.1 482748 temp new
velocity hi set 1.0 0.0 0.0 sum yes
# fixes
fix 1 all nve
fix 2 boundary setforce 0.0 0.0 0.0
fix 3 mobile temp/rescale 200 0.1 0.1 0.02 1.0
fix_modify 3 temp new
fix 4 all enforce2d
# Run
timestep 0.0025
thermo 1000
thermo_modify temp new
WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:445)
#dump 1 all atom 500 dump.friction
#dump 2 all image 500 image.*.jpg type type # zoom 1.6 adiam 1.5
#dump_modify 2 pad 5
#dump 3 all movie 500 movie.mpg type type # zoom 1.6 adiam 1.5
#dump_modify 3 pad 5
run 20000
Neighbor list info ...
1 neighbor list requests
update every 1 steps, delay 5 steps, check yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 2.8
ghost atom cutoff = 2.8
binsize = 1.4 -> bins = 41 31 1
Memory usage per processor = 2.47434 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
0 0.1 -3.1333672 0 -3.0921259 -1.1437867 2444.9333
1000 0.1 -3.0915465 0 -3.0503052 0.010015559 2444.9333
2000 0.1 -3.0826487 0 -3.0414074 -0.42012889 2444.9333
3000 0.089819692 -3.07584 0 -3.0387972 -0.25252108 2444.9333
4000 0.098489874 -3.0667093 0 -3.0260907 -0.25506538 2444.9333
5000 0.11379986 -3.0557087 0 -3.0087762 -0.080871179 2444.9333
6000 0.11269179 -3.04532 0 -2.9988445 -0.33381202 2444.9333
7000 0.1 -3.0380599 0 -2.9968186 -0.32423949 2444.9333
8000 0.1 -3.0346451 0 -2.9934038 -0.38015467 2444.9333
9000 0.1 -3.0328231 0 -2.9915818 -0.43229228 2444.9333
10000 0.11715901 -3.0339975 0 -2.9856796 -0.32994136 2444.9333
11000 0.11489931 -3.0347978 0 -2.9874118 -0.45189608 2444.9333
12000 0.10977417 -3.0396002 0 -2.994328 -0.18902632 2444.9333
13000 0.1 -3.0460576 0 -3.0048163 -0.30636366 2444.9333
14000 0.10650444 -3.0498066 0 -3.0058827 -0.37168966 2444.9333
15000 0.11262528 -3.053675 0 -3.0072269 -0.32295729 2444.9333
16000 0.10822084 -3.0524308 0 -3.0077991 -0.25034257 2444.9333
17000 0.10833465 -3.0487557 0 -3.0040771 -0.4048054 2444.9333
18000 0.11599608 -3.0540506 0 -3.0062123 -0.30721348 2444.9333
19000 0.11303674 -3.0521905 0 -3.0055727 -0.29399612 2444.9333
20000 0.09925739 -3.0483895 0 -3.0074545 -0.34540139 2444.9333
Loop time of 5.95865 on 1 procs for 20000 steps with 1724 atoms
Performance: 724995.927 tau/day, 3356.463 timesteps/s
99.9% CPU use with 1 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 4.8617 | 4.8617 | 4.8617 | 0.0 | 81.59
Neigh | 0.33399 | 0.33399 | 0.33399 | 0.0 | 5.61
Comm | 0.036682 | 0.036682 | 0.036682 | 0.0 | 0.62
Output | 0.00041318 | 0.00041318 | 0.00041318 | 0.0 | 0.01
Modify | 0.57978 | 0.57978 | 0.57978 | 0.0 | 9.73
Other | | 0.1461 | | | 2.45
Nlocal: 1724 ave 1724 max 1724 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 145 ave 145 max 145 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 14387 ave 14387 max 14387 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14387
Ave neighs/atom = 8.34513
Neighbor list builds = 726
Dangerous builds = 0
Total wall time: 0:00:05
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