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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5850 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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examples/friction/log.friction.10Sep10.linux.1
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LAMMPS (10 Sep 2010)
# 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 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
# Run
timestep 0.0025
thermo 1000
thermo_modify temp new
dump 1 all atom 500 dump.friction
run 20000
Memory usage per processor = 1.73539 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
0 0.1 -3.1333672 0 -3.0921259 -1.1440102 2444.4558
1000 0.1 -3.0915465 0 -3.0503052 0.010017516 2444.4558
2000 0.1 -3.0826487 0 -3.0414074 -0.42021097 2444.4558
3000 0.089819692 -3.07584 0 -3.0387972 -0.25257042 2444.4558
4000 0.098489874 -3.0667093 0 -3.0260907 -0.25511521 2444.4558
5000 0.11379986 -3.0557087 0 -3.0087762 -0.080886978 2444.4558
6000 0.11269179 -3.04532 0 -2.9988445 -0.33387724 2444.4558
7000 0.1 -3.0380598 0 -2.9968185 -0.32430244 2444.4558
8000 0.1 -3.0346458 0 -2.9934045 -0.38022997 2444.4558
9000 0.1 -3.0323928 0 -2.9911515 -0.42944097 2444.4558
10000 0.1 -3.0354969 0 -2.9942556 -0.3547036 2444.4558
11000 0.11248007 -3.0371526 0 -2.9907643 -0.42222237 2444.4558
12000 0.10241295 -3.0422315 0 -2.9999951 -0.24193736 2444.4558
13000 0.11139984 -3.044969 0 -2.9990263 -0.32692165 2444.4558
14000 0.099297055 -3.0415792 0 -3.0006278 -0.34441013 2444.4558
15000 0.11494243 -3.045278 0 -2.9978742 -0.26868839 2444.4558
16000 0.11211716 -3.0460201 0 -2.9997815 -0.27620024 2444.4558
17000 0.11246574 -3.0461857 0 -2.9998034 -0.31782055 2444.4558
18000 0.11194476 -3.0440786 0 -2.9979112 -0.35902467 2444.4558
19000 0.11200621 -3.0473992 0 -3.0012064 -0.25540459 2444.4558
20000 0.10818968 -3.0456459 0 -3.0010271 -0.29452342 2444.4558
Loop time of 10.5557 on 1 procs for 20000 steps with 1724 atoms
Pair time (%) = 8.7916 (83.2874)
Neigh time (%) = 0.439275 (4.16148)
Comm time (%) = 0.0686255 (0.650125)
Outpt time (%) = 0.105519 (0.999635)
Other time (%) = 1.15071 (10.9013)
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: 14369 ave 14369 max 14369 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14369
Ave neighs/atom = 8.33469
Neighbor list builds = 717
Dangerous builds = 0

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examples/friction/log.friction.10Sep10.linux.4
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LAMMPS (10 Sep 2010)
# 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 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
# Run
timestep 0.0025
thermo 1000
thermo_modify temp new
dump 1 all atom 500 dump.friction
run 20000
Memory usage per processor = 1.69136 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
0 0.1 -3.1333672 0 -3.0921259 -1.1440102 2444.4558
1000 0.081958665 -3.0927273 0 -3.0589265 -0.021850399 2444.4558
2000 0.082641883 -3.0850764 0 -3.0509938 -0.44968978 2444.4558
3000 0.092293442 -3.0748001 0 -3.0367371 -0.25358115 2444.4558
4000 0.096012911 -3.0565129 0 -3.0169159 -0.027674947 2444.4558
5000 0.1 -3.0465555 0 -3.0053142 -0.09934336 2444.4558
6000 0.11642983 -3.0390782 0 -2.991061 -0.21038719 2444.4558
7000 0.11597773 -3.0331763 0 -2.9853456 -0.46354952 2444.4558
8000 0.11937909 -3.0305563 0 -2.9813228 -0.30779188 2444.4558
9000 0.11109992 -3.0274146 0 -2.9815956 -0.52451724 2444.4558
10000 0.11600378 -3.0164577 0 -2.9686163 -0.35721513 2444.4558
11000 0.11403444 -3.0138385 0 -2.9668092 -0.45128937 2444.4558
12000 0.11732466 -3.0220572 0 -2.973671 -0.26756468 2444.4558
13000 0.10909933 -3.0270216 0 -2.9820276 -0.39570586 2444.4558
14000 0.10530217 -3.0326565 0 -2.9892285 -0.1708647 2444.4558
15000 0.11252086 -3.0326775 0 -2.9862724 -0.41750799 2444.4558
16000 0.10635548 -3.0310857 0 -2.9872233 -0.27111401 2444.4558
17000 0.11718463 -3.036313 0 -2.9879845 -0.34485392 2444.4558
18000 0.11632659 -3.0376748 0 -2.9897002 -0.2781061 2444.4558
19000 0.11302219 -3.0324168 0 -2.985805 -0.35512798 2444.4558
20000 0.11916746 -3.0379931 0 -2.9888469 -0.30162295 2444.4558
Loop time of 3.56169 on 4 procs for 20000 steps with 1724 atoms
Pair time (%) = 2.21851 (62.2882)
Neigh time (%) = 0.110155 (3.09278)
Comm time (%) = 0.753734 (21.1623)
Outpt time (%) = 0.0866534 (2.43293)
Other time (%) = 0.392634 (11.0238)
Nlocal: 431 ave 486 max 376 min
Histogram: 1 0 0 1 0 0 1 0 0 1
Nghost: 95 ave 119 max 75 min
Histogram: 1 0 1 0 0 1 0 0 0 1
Neighs: 3599 ave 4160 max 3136 min
Histogram: 1 0 1 0 0 1 0 0 0 1
Total # of neighbors = 14396
Ave neighs/atom = 8.35035
Neighbor list builds = 708
Dangerous builds = 0