Commit 5455c712 authored by sjplimp's avatar sjplimp
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parent d680d349

bench/cuu3.eam

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bench/log.12Feb07.chain.lmp.fixed.liberty.8

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LAMMPS (12 Feb 2007)

# FENE beadspring benchmark



units		lj

atom_style	bond

special_bonds   0.0 1.0 1.0



read_data	data.chain

  1 = max bonds/atom

  2 by 2 by 2 processor grid

  32000 atoms

  32000 velocities

  31680 bonds

  2 = max # of 1-2 neighbors

  2 = max # of special neighbors



neighbor	0.4 bin

neigh_modify	every 1 delay 1



bond_style      fene

bond_coeff	1 30.0 1.5 1.0 1.0



pair_style	lj/cut 1.12

pair_modify	shift yes

pair_coeff	1 1 1.0 1.0 1.12



fix		1 all nve

fix		2 all langevin 1.0 1.0 10.0 904297



thermo          100

timestep	0.012



run		100

Memory usage per processor = 2.55132 Mbytes

Step Temp E_pair E_mol TotEng Press 

       0   0.97029772   0.44484087    20.494523    22.394765    4.6721833 

     100   0.97000691   0.44751221    20.498199    22.400676    4.7159344 

Loop time of 0.567145 on 8 procs for 100 steps with 32000 atoms



Pair  time (%) = 0.0830945 (14.6514)

Bond  time (%) = 0.0505197 (8.90772)

Neigh time (%) = 0.133964 (23.6207)

Comm  time (%) = 0.176345 (31.0935)

Outpt time (%) = 0.000548124 (0.0966462)

Other time (%) = 0.122674 (21.6301)



Nlocal:    4000 ave 4029 max 3985 min

Histogram: 2 0 2 1 2 0 0 0 0 1

Nghost:    2592.25 ave 2602 max 2566 min

Histogram: 1 0 0 0 0 1 1 1 0 4

Neighs:    19477.4 ave 19776 max 19279 min

Histogram: 1 2 2 0 0 0 1 1 0 1



Total # of neighbors = 155819

Ave neighs/atom = 4.86934

Ave special neighs/atom = 1.98

Neighbor list builds = 25

Dangerous builds = 0

bench/log.12Feb07.chain.lmp.fixed.linux.1

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LAMMPS (12 Feb 2007)

# FENE beadspring benchmark



units		lj

atom_style	bond

special_bonds   0.0 1.0 1.0



read_data	data.chain

  1 = max bonds/atom

  1 by 1 by 1 processor grid

  32000 atoms

  32000 velocities

  31680 bonds

  2 = max # of 1-2 neighbors

  2 = max # of special neighbors



neighbor	0.4 bin

neigh_modify	every 1 delay 1



bond_style      fene

bond_coeff	1 30.0 1.5 1.0 1.0



pair_style	lj/cut 1.12

pair_modify	shift yes

pair_coeff	1 1 1.0 1.0 1.12



fix		1 all nve

fix		2 all langevin 1.0 1.0 10.0 904297



thermo          100

timestep	0.012



run		100

Memory usage per processor = 8.45251 Mbytes

Step Temp E_pair E_mol TotEng Press 

       0   0.97029772   0.44484087    20.494523    22.394765    4.6721833 

     100   0.97434451     0.439712    20.499596    22.400779    4.6558589 

Loop time of 7.89679 on 1 procs for 100 steps with 32000 atoms



Pair  time (%) = 2.2188 (28.0975)

Bond  time (%) = 0.694979 (8.80078)

Neigh time (%) = 2.6686 (33.7934)

Comm  time (%) = 0.334908 (4.24106)

Outpt time (%) = 0.000815 (0.0103206)

Other time (%) = 1.97869 (25.0569)



Nlocal:    32000 ave 32000 max 32000 min

Histogram: 1 0 0 0 0 0 0 0 0 0

Nghost:    9537 ave 9537 max 9537 min

Histogram: 1 0 0 0 0 0 0 0 0 0

Neighs:    155877 ave 155877 max 155877 min

Histogram: 1 0 0 0 0 0 0 0 0 0



Total # of neighbors = 155877

Ave neighs/atom = 4.87116

Ave special neighs/atom = 1.98

Neighbor list builds = 25

Dangerous builds = 0

bench/log.12Feb07.chain.lmp.scaled.liberty.8

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LAMMPS (12 Feb 2007)

# FENE beadspring benchmark



variable	x index 1

variable	y index 1

variable	z index 1



units		lj

atom_style	bond

atom_modify	map hash

special_bonds   0.0 1.0 1.0



read_data	data.chain

  1 = max bonds/atom

  2 by 2 by 2 processor grid

  32000 atoms

  32000 velocities

  31680 bonds

  2 = max # of 1-2 neighbors

  2 = max # of special neighbors



replicate	$x $y $z

replicate	2 $y $z

replicate	2 2 $z

replicate	2 2 2

  2 by 2 by 2 processor grid

  256000 atoms

  253440 bonds

  2 = max # of 1-2 neighbors

  2 = max # of special neighbors



neighbor	0.4 bin

neigh_modify	every 1 delay 1



bond_style      fene

bond_coeff	1 30.0 1.5 1.0 1.0



pair_style	lj/cut 1.12

pair_modify	shift yes

pair_coeff	1 1 1.0 1.0 1.12



fix		1 all nve

fix		2 all langevin 1.0 1.0 10.0 904297



thermo          100

timestep	0.012



run		100

Memory usage per processor = 10.0158 Mbytes

Step Temp E_pair E_mol TotEng Press 

       0   0.97027119   0.44484087    20.494523    22.394765    4.6721833 

     100   0.97424237   0.44152909    20.501694    22.404581    4.6873411 

Loop time of 5.82027 on 8 procs for 100 steps with 256000 atoms



Pair  time (%) = 1.10706 (19.0208)

Bond  time (%) = 0.553447 (9.50897)

Neigh time (%) = 1.48756 (25.5583)

Comm  time (%) = 1.07831 (18.5267)

Outpt time (%) = 0.0030714 (0.0527707)

Other time (%) = 1.59082 (27.3325)



Nlocal:    32000 ave 32058 max 31953 min

Histogram: 1 1 0 1 2 1 1 0 0 1

Nghost:    9505.38 ave 9533 max 9479 min

Histogram: 2 0 0 1 0 2 1 1 0 1

Neighs:    155776 ave 156274 max 155380 min

Histogram: 1 0 1 1 3 1 0 0 0 1



Total # of neighbors = 1246208

Ave neighs/atom = 4.868

Ave special neighs/atom = 1.98

Neighbor list builds = 25

Dangerous builds = 0

bench/log.12Feb07.chute.lmp.fixed.liberty.8

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LAMMPS (12 Feb 2007)

# LAMMPS benchmark of granular flow

# chute flow of 32000 atoms with frozen base at 26 degrees



units		lj

atom_style	granular

boundary	p p fs

newton		off



read_data	data.chute

  2 by 2 by 2 processor grid

  32000 atoms

  32000 velocities



pair_style	gran/history 200000.0 50.0 0.5 0



neighbor	0.1 bin

neigh_modify	every 1 delay 0



timestep	0.0001



group		bottom type 2

912 atoms in group bottom

group		active subtract all bottom

31088 atoms in group active

neigh_modify	exclude group bottom bottom



fix		1 all gravity chute 26.0

fix		2 bottom freeze

fix		3 active nve/gran



thermo_style	granular

thermo		100



run		100

Memory usage per processor = 9.31091 Mbytes

Step Atoms KinEng RotKEgrn Volume 

       0    32000    784139.13    1601.1263     29830.88 

     100    32000    784289.99    1571.0137    29831.804 

Loop time of 0.712546 on 8 procs for 100 steps with 32000 atoms



Pair  time (%) = 0.318114 (44.6448)

Neigh time (%) = 0.0166372 (2.33489)

Comm  time (%) = 0.164817 (23.1307)

Outpt time (%) = 0.000648975 (0.0910784)

Other time (%) = 0.212329 (29.7986)



Nlocal:    4000 ave 4005 max 3995 min

Histogram: 4 0 0 0 0 0 0 0 0 4

Nghost:    1736.5 ave 1739 max 1734 min

Histogram: 4 0 0 0 0 0 0 0 0 4

Neighs:    15093 ave 15610 max 14576 min

Histogram: 4 0 0 0 0 0 0 0 0 4



Total # of neighbors = 120744

Ave neighs/atom = 3.77325

Neighbor list builds = 2

Dangerous builds = 0

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