Commit 85a60a94 authored by sjplimp's avatar sjplimp
Browse files 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14607 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent de853a37

bench/log.15May15.chain.fixed.icc.1

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LAMMPS (30 Apr 2015)

# FENE beadspring benchmark



units		lj

atom_style	bond

special_bonds   fene



read_data	data.chain

  orthogonal box = (-16.796 -16.796 -16.796) to (16.796 16.796 16.796)

  1 by 1 by 1 MPI processor grid

  reading atoms ...

  32000 atoms

  reading velocities ...

  32000 velocities

  scanning bonds ...

  1 = max bonds/atom

  reading bonds ...

  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

Neighbor list info ...

  1 neighbor list requests

  update every 1 steps, delay 1 steps, check yes

  master list distance cutoff = 1.52

Memory usage per processor = 11.5189 Mbytes

Step Temp E_pair E_mol TotEng Press 

       0   0.97029772   0.44484087    20.494523    22.394765    4.6721833 

     100    0.9729966    0.4361122    20.507698     22.40326    4.6548819 

Loop time of 0.978717 on 1 procs for 100 steps with 32000 atoms



Pair  time (%) = 0.195673 (19.9928)

Bond  time (%) = 0.0878832 (8.97943)

Neigh time (%) = 0.448004 (45.7746)

Comm  time (%) = 0.0329976 (3.37152)

Outpt time (%) = 0.000105143 (0.0107429)

Other time (%) = 0.214054 (21.8709)



Nlocal:    32000 ave 32000 max 32000 min

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

Nghost:    9493 ave 9493 max 9493 min

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

Neighs:    155873 ave 155873 max 155873 min

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



Total # of neighbors = 155873

Ave neighs/atom = 4.87103

Ave special neighs/atom = 1.98

Neighbor list builds = 25

Dangerous builds = 0

bench/log.15May15.chain.fixed.icc.4

deleted100644 → 0
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Original line number Diff line number Diff line 
LAMMPS (30 Apr 2015)

# FENE beadspring benchmark



units		lj

atom_style	bond

special_bonds   fene



read_data	data.chain

  orthogonal box = (-16.796 -16.796 -16.796) to (16.796 16.796 16.796)

  1 by 2 by 2 MPI processor grid

  reading atoms ...

  32000 atoms

  reading velocities ...

  32000 velocities

  scanning bonds ...

  1 = max bonds/atom

  reading bonds ...

  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

Neighbor list info ...

  1 neighbor list requests

  update every 1 steps, delay 1 steps, check yes

  master list distance cutoff = 1.52

Memory usage per processor = 3.91518 Mbytes

Step Temp E_pair E_mol TotEng Press 

       0   0.97029772   0.44484087    20.494523    22.394765    4.6721833 

     100   0.97145835   0.43803883    20.502691    22.397872     4.626988 

Loop time of 0.274371 on 4 procs for 100 steps with 32000 atoms



Pair  time (%) = 0.0504887 (18.4016)

Bond  time (%) = 0.0229129 (8.35106)

Neigh time (%) = 0.119957 (43.7206)

Comm  time (%) = 0.020835 (7.59373)

Outpt time (%) = 5.74589e-05 (0.0209421)

Other time (%) = 0.0601202 (21.912)



Nlocal:    8000 ave 8030 max 7974 min

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

Nghost:    4177 ave 4191 max 4160 min

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

Neighs:    38995.8 ave 39169 max 38852 min

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



Total # of neighbors = 155983

Ave neighs/atom = 4.87447

Ave special neighs/atom = 1.98

Neighbor list builds = 25

Dangerous builds = 0

bench/log.15May15.chain.scaled.icc.4

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LAMMPS (30 Apr 2015)

# 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   fene



read_data	data.chain

  orthogonal box = (-16.796 -16.796 -16.796) to (16.796 16.796 16.796)

  1 by 2 by 2 MPI processor grid

  reading atoms ...

  32000 atoms

  reading velocities ...

  32000 velocities

  scanning bonds ...

  1 = max bonds/atom

  reading bonds ...

  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 1

  orthogonal box = (-16.796 -16.796 -16.796) to (50.388 50.388 16.796)

  2 by 2 by 1 MPI processor grid

  128000 atoms

  126720 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

Neighbor list info ...

  1 neighbor list requests

  update every 1 steps, delay 1 steps, check yes

  master list distance cutoff = 1.52

Memory usage per processor = 12.8735 Mbytes

Step Temp E_pair E_mol TotEng Press 

       0   0.97027498   0.44484087    20.494523    22.394765    4.6721833 

     100   0.97682955   0.44239968    20.500229    22.407862    4.6527025 

Loop time of 1.19919 on 4 procs for 100 steps with 128000 atoms



Pair  time (%) = 0.227794 (18.9957)

Bond  time (%) = 0.0981662 (8.18606)

Neigh time (%) = 0.527868 (44.0188)

Comm  time (%) = 0.0980042 (8.17255)

Outpt time (%) = 0.000200272 (0.0167006)

Other time (%) = 0.247155 (20.6102)



Nlocal:    32000 ave 32015 max 31983 min

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

Nghost:    9492 ave 9522 max 9432 min

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

Neighs:    155837 ave 156079 max 155506 min

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



Total # of neighbors = 623349

Ave neighs/atom = 4.86991

Ave special neighs/atom = 1.98

Neighbor list builds = 25

Dangerous builds = 0

bench/log.15May15.chute.fixed.icc.1

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LAMMPS (30 Apr 2015)

# LAMMPS benchmark of granular flow

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



units		lj

atom_style	sphere

boundary	p p fs

newton		off

comm_modify	vel yes



read_data	data.chute

  orthogonal box = (0 0 0) to (40 20 37.2886)

  1 by 1 by 1 MPI processor grid

  reading atoms ...

  32000 atoms

  reading velocities ...

  32000 velocities



pair_style	gran/hooke/history 200000.0 NULL 50.0 NULL 0.5 0

pair_coeff	* *



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 1.0 chute 26.0

fix		2 bottom freeze

fix		3 active nve/sphere



compute		1 all erotate/sphere

thermo_style	custom step atoms ke c_1 vol

thermo_modify	norm no

thermo		100



run		100

Neighbor list info ...

  2 neighbor list requests

  update every 1 steps, delay 0 steps, check yes

  master list distance cutoff = 1.1

Memory usage per processor = 15.567 Mbytes

Step Atoms KinEng 1 Volume 

       0    32000    784139.13    1601.1263    29833.783 

     100    32000    784292.08    1571.0968    29834.707 

Loop time of 0.539647 on 1 procs for 100 steps with 32000 atoms



Pair  time (%) = 0.328789 (60.9267)

Neigh time (%) = 0.0401711 (7.44397)

Comm  time (%) = 0.0179052 (3.31795)

Outpt time (%) = 0.00019908 (0.0368907)

Other time (%) = 0.152582 (28.2745)



Nlocal:    32000 ave 32000 max 32000 min

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

Nghost:    5463 ave 5463 max 5463 min

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

Neighs:    115133 ave 115133 max 115133 min

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



Total # of neighbors = 115133

Ave neighs/atom = 3.59791

Neighbor list builds = 2

Dangerous builds = 0

bench/log.15May15.chute.fixed.icc.4

deleted100644 → 0
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Original line number Diff line number Diff line 
LAMMPS (30 Apr 2015)

# LAMMPS benchmark of granular flow

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



units		lj

atom_style	sphere

boundary	p p fs

newton		off

comm_modify	vel yes



read_data	data.chute

  orthogonal box = (0 0 0) to (40 20 37.2886)

  2 by 1 by 2 MPI processor grid

  reading atoms ...

  32000 atoms

  reading velocities ...

  32000 velocities



pair_style	gran/hooke/history 200000.0 NULL 50.0 NULL 0.5 0

pair_coeff	* *



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 1.0 chute 26.0

fix		2 bottom freeze

fix		3 active nve/sphere



compute		1 all erotate/sphere

thermo_style	custom step atoms ke c_1 vol

thermo_modify	norm no

thermo		100



run		100

Neighbor list info ...

  2 neighbor list requests

  update every 1 steps, delay 0 steps, check yes

  master list distance cutoff = 1.1

Memory usage per processor = 6.81783 Mbytes

Step Atoms KinEng 1 Volume 

       0    32000    784139.13    1601.1263    29833.783 

     100    32000    784292.08    1571.0968    29834.707 

Loop time of 0.146584 on 4 procs for 100 steps with 32000 atoms



Pair  time (%) = 0.0737562 (50.3167)

Neigh time (%) = 0.0105147 (7.17314)

Comm  time (%) = 0.0147474 (10.0607)

Outpt time (%) = 0.000131965 (0.0900267)

Other time (%) = 0.0474337 (32.3594)



Nlocal:    8000 ave 8008 max 7992 min

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

Nghost:    2439 ave 2450 max 2428 min

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

Neighs:    29500.5 ave 30488 max 28513 min

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



Total # of neighbors = 118002

Ave neighs/atom = 3.68756

Neighbor list builds = 2

Dangerous builds = 0

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