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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@299 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2007-02-12 17:54:11 +00:00
parent 422cb3ebfd
commit f097174ccb
60 changed files with 4000 additions and 3238 deletions
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140
examples/friction/log.friction.12Feb07.liberty.4 Normal file
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LAMMPS (12 Feb 2007)
# 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 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 110 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
860 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
1422 atoms in group mobile
set lo-fixed atom 4
150 settings made
set hi-fixed atom 4
150 settings made
# 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 100 dump.friction
run 20000
Memory usage per processor = 1.46023 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
0 0.1 -3.1332695 0 -3.0920674 -1.3452097 1384.4128
1000 0.088860957 -3.0636883 0 -3.0270758 0.0047805196 1384.4128
2000 0.087112073 -3.066344 0 -3.030452 -0.63632956 1384.4128
3000 0.10058239 -3.0642114 0 -3.0227694 -0.25555813 1384.4128
4000 0.093260137 -3.0555323 0 -3.0171072 -0.40761447 1384.4128
5000 0.11067201 -3.0399212 0 -2.994322 0.066689705 1384.4128
6000 0.10526463 -3.0390544 0 -2.9956832 -0.51522958 1384.4128
7000 0.11541593 -3.0403447 0 -2.992791 -0.41397003 1384.4128
8000 0.10197576 -3.0347747 0 -2.9927585 -0.5486861 1384.4128
9000 0.11134064 -3.0333357 0 -2.9874611 -0.35496419 1384.4128
10000 0.11080628 -3.0436254 0 -2.9979709 -0.46700659 1384.4128
11000 0.11943821 -3.0413975 0 -2.9921865 -0.30699848 1384.4128
12000 0.10413208 -3.0510277 0 -3.0081231 -0.36572201 1384.4128
13000 0.099296169 -3.039397 0 -2.9984849 -0.4947437 1384.4128
14000 0.10330462 -3.0420671 0 -2.9995034 -0.39995589 1384.4128
15000 0.10870951 -3.038746 0 -2.9939554 -0.50477181 1384.4128
16000 0.11417657 -3.0464982 0 -2.9994551 -0.32657064 1384.4128
17000 0.10800189 -3.047902 0 -3.0034029 -0.41936081 1384.4128
18000 0.10829723 -3.0458306 0 -3.0012098 -0.41668893 1384.4128
19000 0.10404908 -3.0526816 0 -3.0098112 -0.41121519 1384.4128
20000 0.10691019 -3.0411759 0 -2.9971266 -0.23642395 1384.4128
Loop time of 9.48287 on 4 procs for 20000 steps with 1722 atoms
Pair time (%) = 3.73598 (39.3971)
Neigh time (%) = 0.214309 (2.25996)
Comm time (%) = 3.45572 (36.4417)
Outpt time (%) = 0.605395 (6.38409)
Other time (%) = 1.47147 (15.5171)
Nlocal: 430.5 ave 482 max 375 min
Histogram: 1 1 0 0 0 0 0 0 0 2
Nghost: 92 ave 117 max 76 min
Histogram: 2 0 0 0 1 0 0 0 0 1
Neighs: 3601.25 ave 4057 max 3129 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Total # of neighbors = 14405
Ave neighs/atom = 8.36527
Neighbor list builds = 750
Dangerous builds = 0

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examples/friction/log.friction.12Feb07.linux.1 Normal file
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LAMMPS (12 Feb 2007)
# 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 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 110 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
860 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
1422 atoms in group mobile
set lo-fixed atom 4
150 settings made
set hi-fixed atom 4
150 settings made
# 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 100 dump.friction
run 20000
Memory usage per processor = 1.53816 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
0 0.1 -3.1332695 0 -3.0920674 -1.3452097 1384.4128
1000 0.088253389 -3.0560474 0 -3.0196852 0.050420633 1384.4128
2000 0.087864125 -3.0547262 0 -3.0185243 -0.67004561 1384.4128
3000 0.10557467 -3.0607837 0 -3.0172848 -0.221612 1384.4128
4000 0.085491315 -3.0478702 0 -3.012646 -0.42154648 1384.4128
5000 0.10534884 -3.051862 0 -3.0084561 -0.087935136 1384.4128
6000 0.10556767 -3.0559544 0 -3.0124583 -0.54210169 1384.4128
7000 0.098711954 -3.0590419 0 -3.0183705 -0.42838742 1384.4128
8000 0.11529691 -3.0366296 0 -2.9891248 -0.4457814 1384.4128
9000 0.1 -3.0333227 0 -2.9921206 -0.49174903 1384.4128
10000 0.11644796 -3.04181 0 -2.993831 -0.41991946 1384.4128
11000 0.1051652 -3.0340308 0 -2.9907005 -0.61535665 1384.4128
12000 0.10761127 -3.0351207 0 -2.9907826 -0.30937044 1384.4128
13000 0.11361189 -3.0354003 0 -2.9885898 -0.44289723 1384.4128
14000 0.11530172 -3.037545 0 -2.9900383 -0.31673329 1384.4128
15000 0.098629121 -3.0397602 0 -2.9991229 -0.44569024 1384.4128
16000 0.10525229 -3.0429476 0 -2.9995815 -0.29935796 1384.4128
17000 0.10467455 -3.0381932 0 -2.9950651 -0.48920299 1384.4128
18000 0.10817926 -3.0402364 0 -2.9956643 -0.37596363 1384.4128
19000 0.10816167 -3.0452456 0 -3.0006808 -0.35822139 1384.4128
20000 0.11364667 -3.0448494 0 -2.9980246 -0.40159119 1384.4128
Loop time of 39.1823 on 1 procs for 20000 steps with 1722 atoms
Pair time (%) = 28.9006 (73.7594)
Neigh time (%) = 1.39861 (3.5695)
Comm time (%) = 0.380868 (0.972041)
Outpt time (%) = 3.67569 (9.381)
Other time (%) = 4.82651 (12.3181)
Nlocal: 1722 ave 1722 max 1722 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 146 ave 146 max 146 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 14398 ave 14398 max 14398 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14398
Ave neighs/atom = 8.36121
Neighbor list builds = 728
Dangerous builds = 0

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examples/friction/log.friction.1Oct06.liberty.4
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LAMMPS (1 Oct 2006)
# 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
region box block 0 50 0 22 -0.25 0.25
create_box 4 box
Created 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 lo-slab
Created 750 atoms
create_atoms 1 hi-slab
Created 750 atoms
create_atoms 2 lo-half-sphere
Created 112 atoms
create_atoms 3 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 lo-fixed atom 4
150 settings made
set hi-fixed atom 4
150 settings made
# initial velocities
temperature new mobile 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 100 dump.friction
run 20000
Memory usage per processor = 1.4603 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
0 0.1 -3.1333672 0 -3.0921549 -1.3466755 1384.4128
1000 0.08936608 -3.060858 0 -3.0240282 0.018536372 1384.4128
2000 0.087353242 -3.0615115 0 -3.0255112 -0.58816858 1384.4128
3000 0.097185838 -3.0626106 0 -3.0225581 -0.099745896 1384.4128
4000 0.10514697 -3.0540883 0 -3.0107549 -0.40469143 1384.4128
5000 0.10965701 -3.0502726 0 -3.0050804 0.15587748 1384.4128
6000 0.1142368 -3.0461587 0 -2.9990791 -0.27554064 1384.4128
7000 0.1 -3.038824 0 -2.9976117 -0.38655949 1384.4128
8000 0.11116929 -3.0485103 0 -3.0026949 -0.50529564 1384.4128
9000 0.11426746 -3.044549 0 -2.9974568 -0.4678125 1384.4128
10000 0.10652378 -3.0503221 0 -3.0064212 -0.52457375 1384.4128
11000 0.1102547 -3.0498241 0 -3.0043856 -0.45053087 1384.4128
12000 0.11548097 -3.0510641 0 -3.0034718 -0.27052982 1384.4128
13000 0.10919538 -3.0438158 0 -2.9988139 -0.53868739 1384.4128
14000 0.10742456 -3.045668 0 -3.0013959 -0.25306386 1384.4128
15000 0.10795006 -3.0436862 0 -2.9991975 -0.44644395 1384.4128
16000 0.11271512 -3.0478462 0 -3.0013937 -0.28516203 1384.4128
17000 0.11209577 -3.0497319 0 -3.0035347 -0.39432942 1384.4128
18000 0.1 -3.050733 0 -3.0095207 -0.34607727 1384.4128
19000 0.092061676 -3.048521 0 -3.0105803 -0.37268438 1384.4128
20000 0.10666663 -3.0598394 0 -3.0158797 -0.33025583 1384.4128
Loop time of 8.99743 on 4 procs for 20000 steps with 1724 atoms
Pair time (%) = 3.6897 (41.0084)
Neigh time (%) = 0.202473 (2.25034)
Comm time (%) = 3.18145 (35.3595)
Outpt time (%) = 0.579402 (6.43964)
Other time (%) = 1.3444 (14.9421)
Nlocal: 431 ave 484 max 381 min
Histogram: 1 1 0 0 0 0 0 1 0 1
Nghost: 100.5 ave 119 max 87 min
Histogram: 1 0 0 2 0 0 0 0 0 1
Neighs: 3597.5 ave 4163 max 3176 min
Histogram: 2 0 0 0 0 0 1 0 0 1
Total # of neighbors = 14390
Ave neighs/atom = 8.34687
Neighbor list builds = 720
Dangerous builds = 0

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examples/friction/log.friction.1Oct06.linux.1
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LAMMPS (1 Oct 2006)
# 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
region box block 0 50 0 22 -0.25 0.25
create_box 4 box
Created 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 lo-slab
Created 750 atoms
create_atoms 1 hi-slab
Created 750 atoms
create_atoms 2 lo-half-sphere
Created 112 atoms
create_atoms 3 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 lo-fixed atom 4
150 settings made
set hi-fixed atom 4
150 settings made
# initial velocities
temperature new mobile 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 100 dump.friction
run 20000
Memory usage per processor = 1.53824 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
0 0.1 -3.1333672 0 -3.0921549 -1.3466755 1384.4128
1000 0.085622556 -3.0583969 0 -3.0231098 0.040017208 1384.4128
2000 0.085921887 -3.0572271 0 -3.0218167 -0.60479351 1384.4128
3000 0.10739474 -3.0650606 0 -3.0208008 -0.04184404 1384.4128
4000 0.089682132 -3.04809 0 -3.01113 -0.22441446 1384.4128
5000 0.10934102 -3.0485926 0 -3.0035307 0.12177364 1384.4128
6000 0.10817011 -3.0584907 0 -3.0139113 -0.36521995 1384.4128
7000 0.10519415 -3.0511557 0 -3.0078027 -0.279893 1384.4128
8000 0.11660453 -3.0348037 0 -2.9867483 -0.47310792 1384.4128
9000 0.1 -3.0308672 0 -2.9896549 -0.35351908 1384.4128
10000 0.10012993 -3.0431145 0 -3.0018486 -0.4837576 1384.4128
11000 0.11987001 -3.0484839 0 -2.9990827 -0.45971209 1384.4128
12000 0.11063404 -3.0457139 0 -3.000119 -0.32411476 1384.4128
13000 0.11214672 -3.0407157 0 -2.9944974 -0.4453681 1384.4128
14000 0.11127122 -3.0431707 0 -2.9973132 -0.35672869 1384.4128
15000 0.11311298 -3.0456742 0 -2.9990577 -0.42235702 1384.4128
16000 0.11003354 -3.0519914 0 -3.0066441 -0.24377861 1384.4128
17000 0.095617549 -3.0478455 0 -3.0084393 -0.54070059 1384.4128
18000 0.10655281 -3.0497371 0 -3.0058242 -0.2968023 1384.4128
19000 0.096661108 -3.0630512 0 -3.0232149 -0.35284808 1384.4128
20000 0.099961152 -3.0606412 0 -3.0194449 -0.39275101 1384.4128
Loop time of 42.478 on 1 procs for 20000 steps with 1724 atoms
Pair time (%) = 34.1596 (80.4171)
Neigh time (%) = 1.4565 (3.42883)
Comm time (%) = 0.402718 (0.948062)
Outpt time (%) = 1.64536 (3.87344)
Other time (%) = 4.81384 (11.3326)
Nlocal: 1724 ave 1724 max 1724 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 141 ave 141 max 141 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 14389 ave 14389 max 14389 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14389
Ave neighs/atom = 8.34629
Neighbor list builds = 730
Dangerous builds = 0