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lammps/examples/friction/log.15Feb16.friction.g++.4
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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)
2 by 2 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 = 2.47775 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
0 0.1 -3.1333672 0 -3.0921259 -1.1437867 2444.9333
1000 0.081958665 -3.0927273 0 -3.0589265 -0.021846131 2444.9333
2000 0.082641883 -3.0850764 0 -3.0509938 -0.44960195 2444.9333
3000 0.092293442 -3.0748001 0 -3.0367371 -0.25353161 2444.9333
4000 0.096012911 -3.0565129 0 -3.0169159 -0.027669541 2444.9333
5000 0.1 -3.0465555 0 -3.0053142 -0.099323956 2444.9333
6000 0.11642983 -3.0390782 0 -2.991061 -0.21034609 2444.9333
7000 0.11597774 -3.0331763 0 -2.9853456 -0.46345898 2444.9333
8000 0.11937908 -3.0305561 0 -2.9813227 -0.3077312 2444.9333
9000 0.11110633 -3.0274042 0 -2.9815825 -0.52435329 2444.9333
10000 0.11593138 -3.0164989 0 -2.9686873 -0.36943466 2444.9333
11000 0.11066412 -3.0156369 0 -2.9699976 -0.46759658 2444.9333
12000 0.10383247 -3.0199664 0 -2.9771445 -0.27390498 2444.9333
13000 0.11288647 -3.027191 0 -2.9806352 -0.38261516 2444.9333
14000 0.10587004 -3.0302799 0 -2.9866177 -0.20888958 2444.9333
15000 0.11092262 -3.0308702 0 -2.9851243 -0.37310523 2444.9333
16000 0.11258624 -3.0421958 0 -2.9957638 -0.27895709 2444.9333
17000 0.10980848 -3.0388353 0 -2.9935488 -0.31492687 2444.9333
18000 0.11125763 -3.0392991 0 -2.993415 -0.30414022 2444.9333
19000 0.11673298 -3.0405242 0 -2.992382 -0.34902574 2444.9333
20000 0.11753441 -3.0437232 0 -2.9952505 -0.31244935 2444.9333
Loop time of 1.96189 on 4 procs for 20000 steps with 1724 atoms
Performance: 2201963.286 tau/day, 10194.274 timesteps/s
99.3% CPU use with 4 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 1.0666 | 1.2376 | 1.4382 | 12.1 | 63.08
Neigh | 0.072524 | 0.085115 | 0.099557 | 3.4 | 4.34
Comm | 0.16011 | 0.38337 | 0.56903 | 24.0 | 19.54
Output | 0.00041413 | 0.00043744 | 0.0005033 | 0.2 | 0.02
Modify | 0.12679 | 0.14438 | 0.15946 | 3.2 | 7.36
Other | | 0.111 | | | 5.66
Nlocal: 431 ave 495 max 377 min
Histogram: 1 0 1 0 0 1 0 0 0 1
Nghost: 96 ave 125 max 74 min
Histogram: 1 1 0 0 0 1 0 0 0 1
Neighs: 3597.75 ave 4233 max 3149 min
Histogram: 1 1 0 0 0 1 0 0 0 1
Total # of neighbors = 14391
Ave neighs/atom = 8.34745
Neighbor list builds = 704
Dangerous builds = 0
Total wall time: 0:00:01
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