Commit 8540a9f0 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

Version 11 Oct 2016

parents 13b6eb1b 04f5eadc
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+12 −12
Original line number Original line Diff line number Diff line
LAMMPS (15 Feb 2016)
LAMMPS (6 Oct 2016)
# FENE beadspring benchmark
# FENE beadspring benchmark


units		lj
units		lj
@@ -43,25 +43,25 @@ Neighbor list info ...
  master list distance cutoff = 1.52
  master list distance cutoff = 1.52
  ghost atom cutoff = 1.52
  ghost atom cutoff = 1.52
  binsize = 0.76 -> bins = 45 45 45
  binsize = 0.76 -> bins = 45 45 45
Memory usage per processor = 11.5189 Mbytes
Memory usage per processor = 12.0423 Mbytes
Step Temp E_pair E_mol TotEng Press 
Step Temp E_pair E_mol TotEng Press 
       0   0.97029772   0.44484087    20.494523    22.394765    4.6721833 
       0   0.97029772   0.44484087    20.494523    22.394765    4.6721833 
     100    0.9729966    0.4361122    20.507698     22.40326    4.6548819 
     100    0.9729966    0.4361122    20.507698     22.40326    4.6548819 
Loop time of 0.978585 on 1 procs for 100 steps with 32000 atoms
Loop time of 0.977647 on 1 procs for 100 steps with 32000 atoms


Performance: 105948.895 tau/day, 102.188 timesteps/s
Performance: 106050.541 tau/day, 102.286 timesteps/s
100.0% CPU use with 1 MPI tasks x no OpenMP threads
99.9% CPU use with 1 MPI tasks x no OpenMP threads


MPI task timing breakdown:
MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
---------------------------------------------------------------
Pair    | 0.19562    | 0.19562    | 0.19562    |   0.0 | 19.99
Pair    | 0.19421    | 0.19421    | 0.19421    |   0.0 | 19.86
Bond    | 0.087475   | 0.087475   | 0.087475   |   0.0 |  8.94
Bond    | 0.08741    | 0.08741    | 0.08741    |   0.0 |  8.94
Neigh   | 0.44861    | 0.44861    | 0.44861    |   0.0 | 45.84
Neigh   | 0.45791    | 0.45791    | 0.45791    |   0.0 | 46.84
Comm    | 0.032932   | 0.032932   | 0.032932   |   0.0 |  3.37
Comm    | 0.032649   | 0.032649   | 0.032649   |   0.0 |  3.34
Output  | 0.00010395 | 0.00010395 | 0.00010395 |   0.0 |  0.01
Output  | 0.00012207 | 0.00012207 | 0.00012207 |   0.0 |  0.01
Modify  | 0.19413    | 0.19413    | 0.19413    |   0.0 | 19.84
Modify  | 0.18071    | 0.18071    | 0.18071    |   0.0 | 18.48
Other   |            | 0.01972    |            |       |  2.02
Other   |            | 0.02464    |            |       |  2.52


Nlocal:    32000 ave 32000 max 32000 min
Nlocal:    32000 ave 32000 max 32000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Histogram: 1 0 0 0 0 0 0 0 0 0
+12 −12
Original line number Original line Diff line number Diff line
LAMMPS (15 Feb 2016)
LAMMPS (6 Oct 2016)
# FENE beadspring benchmark
# FENE beadspring benchmark


units		lj
units		lj
@@ -43,25 +43,25 @@ Neighbor list info ...
  master list distance cutoff = 1.52
  master list distance cutoff = 1.52
  ghost atom cutoff = 1.52
  ghost atom cutoff = 1.52
  binsize = 0.76 -> bins = 45 45 45
  binsize = 0.76 -> bins = 45 45 45
Memory usage per processor = 3.91518 Mbytes
Memory usage per processor = 4.14663 Mbytes
Step Temp E_pair E_mol TotEng Press 
Step Temp E_pair E_mol TotEng Press 
       0   0.97029772   0.44484087    20.494523    22.394765    4.6721833 
       0   0.97029772   0.44484087    20.494523    22.394765    4.6721833 
     100   0.97145835   0.43803883    20.502691    22.397872     4.626988 
     100   0.97145835   0.43803883    20.502691    22.397872     4.626988 
Loop time of 0.271187 on 4 procs for 100 steps with 32000 atoms
Loop time of 0.269205 on 4 procs for 100 steps with 32000 atoms


Performance: 382319.453 tau/day, 368.749 timesteps/s
Performance: 385133.446 tau/day, 371.464 timesteps/s
99.6% CPU use with 4 MPI tasks x no OpenMP threads
99.8% CPU use with 4 MPI tasks x no OpenMP threads


MPI task timing breakdown:
MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
---------------------------------------------------------------
Pair    | 0.048621   | 0.050076   | 0.051229   |   0.4 | 18.47
Pair    | 0.049383   | 0.049756   | 0.049988   |   0.1 | 18.48
Bond    | 0.022254   | 0.022942   | 0.023567   |   0.3 |  8.46
Bond    | 0.022701   | 0.022813   | 0.022872   |   0.0 |  8.47
Neigh   | 0.11873    | 0.11881    | 0.11887    |   0.0 | 43.81
Neigh   | 0.11982    | 0.12002    | 0.12018    |   0.0 | 44.58
Comm    | 0.019066   | 0.021357   | 0.024297   |   1.3 |  7.88
Comm    | 0.020274   | 0.021077   | 0.022348   |   0.5 |  7.83
Output  | 5.0068e-05 | 5.5015e-05 | 6.1035e-05 |   0.1 |  0.02
Output  | 5.3167e-05 | 5.6148e-05 | 6.3181e-05 |   0.1 |  0.02
Modify  | 0.048737   | 0.050198   | 0.051231   |   0.4 | 18.51
Modify  | 0.046276   | 0.046809   | 0.047016   |   0.1 | 17.39
Other   |            | 0.007751   |            |       |  2.86
Other   |            | 0.008669   |            |       |  3.22


Nlocal:    8000 ave 8030 max 7974 min
Nlocal:    8000 ave 8030 max 7974 min
Histogram: 1 0 0 1 0 1 0 0 0 1
Histogram: 1 0 0 1 0 1 0 0 0 1
+12 −12
Original line number Original line Diff line number Diff line
LAMMPS (15 Feb 2016)
LAMMPS (6 Oct 2016)
# FENE beadspring benchmark
# FENE beadspring benchmark


variable	x index 1
variable	x index 1
@@ -59,25 +59,25 @@ Neighbor list info ...
  master list distance cutoff = 1.52
  master list distance cutoff = 1.52
  ghost atom cutoff = 1.52
  ghost atom cutoff = 1.52
  binsize = 0.76 -> bins = 89 89 45
  binsize = 0.76 -> bins = 89 89 45
Memory usage per processor = 12.8735 Mbytes
Memory usage per processor = 13.2993 Mbytes
Step Temp E_pair E_mol TotEng Press 
Step Temp E_pair E_mol TotEng Press 
       0   0.97027498   0.44484087    20.494523    22.394765    4.6721833 
       0   0.97027498   0.44484087    20.494523    22.394765    4.6721833 
     100   0.97682955   0.44239968    20.500229    22.407862    4.6527025 
     100   0.97682955   0.44239968    20.500229    22.407862    4.6527025 
Loop time of 1.20889 on 4 procs for 100 steps with 128000 atoms
Loop time of 1.14845 on 4 procs for 100 steps with 128000 atoms


Performance: 85764.410 tau/day, 82.720 timesteps/s
Performance: 90277.919 tau/day, 87.074 timesteps/s
99.8% CPU use with 4 MPI tasks x no OpenMP threads
99.9% CPU use with 4 MPI tasks x no OpenMP threads


MPI task timing breakdown:
MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
---------------------------------------------------------------
Pair    | 0.21738    | 0.23306    | 0.23926    |   1.9 | 19.28
Pair    | 0.2203     | 0.22207    | 0.22386    |   0.3 | 19.34
Bond    | 0.094536   | 0.10196    | 0.10534    |   1.4 |  8.43
Bond    | 0.094861   | 0.095302   | 0.095988   |   0.1 |  8.30
Neigh   | 0.52311    | 0.52392    | 0.52519    |   0.1 | 43.34
Neigh   | 0.52127    | 0.5216     | 0.52189    |   0.0 | 45.42
Comm    | 0.090161   | 0.10022    | 0.12557    |   4.7 |  8.29
Comm    | 0.079585   | 0.082159   | 0.084366   |   0.7 |  7.15
Output  | 0.00012207 | 0.00017327 | 0.00019598 |   0.2 |  0.01
Output  | 0.00013304 | 0.00015306 | 0.00018501 |   0.2 |  0.01
Modify  | 0.19662    | 0.20262    | 0.20672    |   0.8 | 16.76
Modify  | 0.18351    | 0.18419    | 0.1856     |   0.2 | 16.04
Other   |            | 0.04694    |            |       |  3.88
Other   |            | 0.04298    |            |       |  3.74


Nlocal:    32000 ave 32015 max 31983 min
Nlocal:    32000 ave 32015 max 31983 min
Histogram: 1 0 1 0 0 0 0 0 1 1
Histogram: 1 0 1 0 0 0 0 0 1 1
+12 −12
Original line number Original line Diff line number Diff line
LAMMPS (15 Feb 2016)
LAMMPS (6 Oct 2016)
# LAMMPS benchmark of granular flow
# LAMMPS benchmark of granular flow
# chute flow of 32000 atoms with frozen base at 26 degrees
# chute flow of 32000 atoms with frozen base at 26 degrees


@@ -47,24 +47,24 @@ Neighbor list info ...
  master list distance cutoff = 1.1
  master list distance cutoff = 1.1
  ghost atom cutoff = 1.1
  ghost atom cutoff = 1.1
  binsize = 0.55 -> bins = 73 37 68
  binsize = 0.55 -> bins = 73 37 68
Memory usage per processor = 15.567 Mbytes
Memory usage per processor = 16.0904 Mbytes
Step Atoms KinEng 1 Volume 
Step Atoms KinEng c_1 Volume 
       0    32000    784139.13    1601.1263    29833.783 
       0    32000    784139.13    1601.1263    29833.783 
     100    32000    784292.08    1571.0968    29834.707 
     100    32000    784292.08    1571.0968    29834.707 
Loop time of 0.550482 on 1 procs for 100 steps with 32000 atoms
Loop time of 0.534174 on 1 procs for 100 steps with 32000 atoms


Performance: 1569.534 tau/day, 181.659 timesteps/s
Performance: 1617.451 tau/day, 187.205 timesteps/s
100.1% CPU use with 1 MPI tasks x no OpenMP threads
99.8% CPU use with 1 MPI tasks x no OpenMP threads


MPI task timing breakdown:
MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
---------------------------------------------------------------
Pair    | 0.33849    | 0.33849    | 0.33849    |   0.0 | 61.49
Pair    | 0.33346    | 0.33346    | 0.33346    |   0.0 | 62.43
Neigh   | 0.040353   | 0.040353   | 0.040353   |   0.0 |  7.33
Neigh   | 0.043902   | 0.043902   | 0.043902   |   0.0 |  8.22
Comm    | 0.018023   | 0.018023   | 0.018023   |   0.0 |  3.27
Comm    | 0.018391   | 0.018391   | 0.018391   |   0.0 |  3.44
Output  | 0.00020385 | 0.00020385 | 0.00020385 |   0.0 |  0.04
Output  | 0.00022411 | 0.00022411 | 0.00022411 |   0.0 |  0.04
Modify  | 0.13155    | 0.13155    | 0.13155    |   0.0 | 23.90
Modify  | 0.11666    | 0.11666    | 0.11666    |   0.0 | 21.84
Other   |            | 0.02186    |            |       |  3.97
Other   |            | 0.02153    |            |       |  4.03


Nlocal:    32000 ave 32000 max 32000 min
Nlocal:    32000 ave 32000 max 32000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Histogram: 1 0 0 0 0 0 0 0 0 0
+12 −12
Original line number Original line Diff line number Diff line
LAMMPS (15 Feb 2016)
LAMMPS (6 Oct 2016)
# LAMMPS benchmark of granular flow
# LAMMPS benchmark of granular flow
# chute flow of 32000 atoms with frozen base at 26 degrees
# chute flow of 32000 atoms with frozen base at 26 degrees


@@ -47,24 +47,24 @@ Neighbor list info ...
  master list distance cutoff = 1.1
  master list distance cutoff = 1.1
  ghost atom cutoff = 1.1
  ghost atom cutoff = 1.1
  binsize = 0.55 -> bins = 73 37 68
  binsize = 0.55 -> bins = 73 37 68
Memory usage per processor = 6.81783 Mbytes
Memory usage per processor = 7.04927 Mbytes
Step Atoms KinEng 1 Volume 
Step Atoms KinEng c_1 Volume 
       0    32000    784139.13    1601.1263    29833.783 
       0    32000    784139.13    1601.1263    29833.783 
     100    32000    784292.08    1571.0968    29834.707 
     100    32000    784292.08    1571.0968    29834.707 
Loop time of 0.13141 on 4 procs for 100 steps with 32000 atoms
Loop time of 0.171815 on 4 procs for 100 steps with 32000 atoms


Performance: 6574.833 tau/day, 760.976 timesteps/s
Performance: 5028.653 tau/day, 582.020 timesteps/s
99.3% CPU use with 4 MPI tasks x no OpenMP threads
99.7% CPU use with 4 MPI tasks x no OpenMP threads


MPI task timing breakdown:
MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
---------------------------------------------------------------
Pair    | 0.062505   | 0.067      | 0.07152    |   1.5 | 50.99
Pair    | 0.093691   | 0.096898   | 0.10005    |   0.8 | 56.40
Neigh   | 0.010041   | 0.0101     | 0.010178   |   0.1 |  7.69
Neigh   | 0.011976   | 0.012059   | 0.012146   |   0.1 |  7.02
Comm    | 0.012347   | 0.012895   | 0.013444   |   0.5 |  9.81
Comm    | 0.016384   | 0.017418   | 0.018465   |   0.8 | 10.14
Output  | 6.3896e-05 | 0.00010294 | 0.00014091 |   0.3 |  0.08
Output  | 7.7963e-05 | 0.00010747 | 0.00013304 |   0.2 |  0.06
Modify  | 0.031802   | 0.032348   | 0.032897   |   0.3 | 24.62
Modify  | 0.031744   | 0.031943   | 0.032167   |   0.1 | 18.59
Other   |            | 0.008965   |            |       |  6.82
Other   |            | 0.01339    |            |       |  7.79


Nlocal:    8000 ave 8008 max 7992 min
Nlocal:    8000 ave 8008 max 7992 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Histogram: 2 0 0 0 0 0 0 0 0 2
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