Commit 0208fe99 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

update example outputs

parent 24654ad2

examples/python/log.4May17.pair_python_coulomb.g++.1

+31 −71
Original line number Diff line number Diff line
@@ -21,14 +21,11 @@ read_data data.spce 
  1 = max # of 1-4 neighbors

  2 = max # of special neighbors



pair_style	hybrid/overlay coul/long 12.0 python 12.0

kspace_style	pppm 1.0e-6

pair_style	hybrid/overlay coul/cut 12.0 python 12.0



pair_coeff	* * coul/long

pair_coeff	* * coul/cut

pair_coeff	* * python py_pot.LJCutSPCE OW NULL



pair_modify     table 0



bond_style	harmonic

angle_style	harmonic

dihedral_style	none
@@ -54,15 +51,6 @@ fix 2 all nvt temp 300.0 300.0 100.0 
# create combined lj/coul table for all atom types

# generate tabulated potential from python variant

pair_write      1 1 2000 rsq 0.1 12 spce.table OW-OW -0.8472 -0.8472

PPPM initialization ...

WARNING: Using polynomial approximation for long-range coulomb (../kspace.cpp:321)

  G vector (1/distance) = 0.279652

  grid = 40 40 40

  stencil order = 5

  estimated absolute RMS force accuracy = 0.000394206

  estimated relative force accuracy = 1.18714e-06

  using double precision FFTs

  3d grid and FFT values/proc = 103823 64000

Neighbor list info ...

  update every 1 steps, delay 10 steps, check yes

  max neighbors/atom: 2000, page size: 100000
@@ -70,7 +58,7 @@ Neighbor list info ... 
  ghost atom cutoff = 14

  binsize = 7, bins = 6 6 6

  2 neighbor lists, perpetual/occasional/extra = 2 0 0

  (1) pair coul/long, perpetual

  (1) pair coul/cut, perpetual

      attributes: half, newton on

      pair build: half/bin/newton

      stencil: half/bin/3d/newton
@@ -81,25 +69,7 @@ Neighbor list info ... 
      stencil: none

      bin: none

pair_write      1 2 2000 rsq 0.1 12 spce.table OW-HW -0.8472  0.4236

PPPM initialization ...

WARNING: Using polynomial approximation for long-range coulomb (../kspace.cpp:321)

  G vector (1/distance) = 0.279652

  grid = 40 40 40

  stencil order = 5

  estimated absolute RMS force accuracy = 0.000394206

  estimated relative force accuracy = 1.18714e-06

  using double precision FFTs

  3d grid and FFT values/proc = 103823 64000

pair_write      2 2 2000 rsq 0.1 12 spce.table HW-HW  0.4236  0.4236

PPPM initialization ...

WARNING: Using polynomial approximation for long-range coulomb (../kspace.cpp:321)

  G vector (1/distance) = 0.279652

  grid = 40 40 40

  stencil order = 5

  estimated absolute RMS force accuracy = 0.000394206

  estimated relative force accuracy = 1.18714e-06

  using double precision FFTs

  3d grid and FFT values/proc = 103823 64000



# switch to tabulated potential

pair_style      table linear 2000 pppm
@@ -109,15 +79,6 @@ pair_coeff 2 2 spce.table HW-HW 


thermo 10

run 100

PPPM initialization ...

WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:321)

  G vector (1/distance) = 0.279652

  grid = 40 40 40

  stencil order = 5

  estimated absolute RMS force accuracy = 0.000394674

  estimated relative force accuracy = 1.18855e-06

  using double precision FFTs

  3d grid and FFT values/proc = 103823 64000

Neighbor list info ...

  update every 1 steps, delay 10 steps, check yes

  max neighbors/atom: 2000, page size: 100000
@@ -130,49 +91,48 @@ Neighbor list info ... 
      pair build: half/bin/newton

      stencil: half/bin/3d/newton

      bin: standard

Per MPI rank memory allocation (min/avg/max) = 35.26 | 35.26 | 35.26 Mbytes

Per MPI rank memory allocation (min/avg/max) = 25.08 | 25.08 | 25.08 Mbytes

Step Temp E_pair E_mol TotEng Press 

       0            0   -100272.97            0   -100272.97   -1282.0708 

      10    120.61568   -101350.63            0   -100272.39   -4077.5051 

      20    136.11379   -101465.43            0   -100248.65   -5136.5677 

      30    137.01602    -101455.3            0   -100230.46   -5347.8311 

      40      153.424   -101582.46            0   -100210.93   -5223.1676 

      50    167.73654   -101686.24            0   -100186.77   -4468.6687 

      60    163.11642   -101618.16            0   -100159.99   -3291.7815 

      70    169.64512   -101647.89            0   -100131.35    -2611.638 

      80     182.9979   -101737.01            0   -100101.11   -2390.6293 

      90    191.33873   -101778.71            0   -100068.24    -2239.386 

     100     194.7458   -101775.84            0   -100034.92   -1951.9128 

Loop time of 7.63869 on 1 procs for 100 steps with 4500 atoms



Performance: 1.131 ns/day, 21.219 hours/ns, 13.091 timesteps/s

99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

       0            0   -18284.922            0   -18284.922   -2080.7739 

      10    146.83806   -19552.072            0   -18239.421     -4865.31 

      20    183.15761   -18706.872            0   -17069.543   -4865.6695 

      30    205.96203   -18901.541            0   -17060.354   -4454.8634 

      40    241.62768   -18323.117            0   -16163.099   -3269.1475 

      50    265.98384   -19883.562            0   -17505.813   -2788.5194 

      60    274.01897   -21320.575            0   -18870.996   -2387.0708 

      70     288.7601   -19849.269            0   -17267.913    -1235.818 

      80    300.64724   -20958.602            0   -18270.981   -1714.7988 

      90    304.19113     -21580.4            0   -18861.099   -2144.1614 

     100    304.22027   -21239.014            0   -18519.452   -2092.6759 

Loop time of 6.01861 on 1 procs for 100 steps with 4500 atoms



Performance: 1.436 ns/day, 16.718 hours/ns, 16.615 timesteps/s

99.7% CPU use with 1 MPI tasks x 1 OpenMP threads



MPI task timing breakdown:

Section |  min time  |  avg time  |  max time  |%varavg| %total

---------------------------------------------------------------

Pair    | 5.7777     | 5.7777     | 5.7777     |   0.0 | 75.64

Bond    | 0.00017595 | 0.00017595 | 0.00017595 |   0.0 |  0.00

Kspace  | 1.5385     | 1.5385     | 1.5385     |   0.0 | 20.14

Neigh   | 0.22962    | 0.22962    | 0.22962    |   0.0 |  3.01

Comm    | 0.024123   | 0.024123   | 0.024123   |   0.0 |  0.32

Output  | 0.00061131 | 0.00061131 | 0.00061131 |   0.0 |  0.01

Modify  | 0.062444   | 0.062444   | 0.062444   |   0.0 |  0.82

Other   |            | 0.005466   |            |       |  0.07

Pair    | 5.698      | 5.698      | 5.698      |   0.0 | 94.67

Bond    | 0.0001626  | 0.0001626  | 0.0001626  |   0.0 |  0.00

Neigh   | 0.23235    | 0.23235    | 0.23235    |   0.0 |  3.86

Comm    | 0.018961   | 0.018961   | 0.018961   |   0.0 |  0.32

Output  | 0.00058126 | 0.00058126 | 0.00058126 |   0.0 |  0.01

Modify  | 0.063452   | 0.063452   | 0.063452   |   0.0 |  1.05

Other   |            | 0.005146   |            |       |  0.09



Nlocal:    4500 ave 4500 max 4500 min

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

Nghost:    21216 ave 21216 max 21216 min

Nghost:    21285 ave 21285 max 21285 min

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

Neighs:    2.60177e+06 ave 2.60177e+06 max 2.60177e+06 min

Neighs:    2.59766e+06 ave 2.59766e+06 max 2.59766e+06 min

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



Total # of neighbors = 2601766

Ave neighs/atom = 578.17

Total # of neighbors = 2597662

Ave neighs/atom = 577.258

Ave special neighs/atom = 2

Neighbor list builds = 3

Dangerous builds = 0



shell rm spce.table



Total wall time: 0:00:07
 
Total wall time: 0:00:06

examples/python/log.4May17.pair_python_coulomb.g++.4

+37 −77
Original line number Diff line number Diff line
@@ -21,14 +21,11 @@ read_data data.spce 
  1 = max # of 1-4 neighbors

  2 = max # of special neighbors



pair_style	hybrid/overlay coul/long 12.0 python 12.0

kspace_style	pppm 1.0e-6

pair_style	hybrid/overlay coul/cut 12.0 python 12.0



pair_coeff	* * coul/long

pair_coeff	* * coul/cut

pair_coeff	* * python py_pot.LJCutSPCE OW NULL



pair_modify     table 0



bond_style	harmonic

angle_style	harmonic

dihedral_style	none
@@ -54,15 +51,6 @@ fix 2 all nvt temp 300.0 300.0 100.0 
# create combined lj/coul table for all atom types

# generate tabulated potential from python variant

pair_write      1 1 2000 rsq 0.1 12 spce.table OW-OW -0.8472 -0.8472

PPPM initialization ...

WARNING: Using polynomial approximation for long-range coulomb (../kspace.cpp:321)

  G vector (1/distance) = 0.279652

  grid = 40 40 40

  stencil order = 5

  estimated absolute RMS force accuracy = 0.000394206

  estimated relative force accuracy = 1.18714e-06

  using double precision FFTs

  3d grid and FFT values/proc = 34263 16000

Neighbor list info ...

  update every 1 steps, delay 10 steps, check yes

  max neighbors/atom: 2000, page size: 100000
@@ -70,7 +58,7 @@ Neighbor list info ... 
  ghost atom cutoff = 14

  binsize = 7, bins = 6 6 6

  2 neighbor lists, perpetual/occasional/extra = 2 0 0

  (1) pair coul/long, perpetual

  (1) pair coul/cut, perpetual

      attributes: half, newton on

      pair build: half/bin/newton

      stencil: half/bin/3d/newton
@@ -81,25 +69,7 @@ Neighbor list info ... 
      stencil: none

      bin: none

pair_write      1 2 2000 rsq 0.1 12 spce.table OW-HW -0.8472  0.4236

PPPM initialization ...

WARNING: Using polynomial approximation for long-range coulomb (../kspace.cpp:321)

  G vector (1/distance) = 0.279652

  grid = 40 40 40

  stencil order = 5

  estimated absolute RMS force accuracy = 0.000394206

  estimated relative force accuracy = 1.18714e-06

  using double precision FFTs

  3d grid and FFT values/proc = 34263 16000

pair_write      2 2 2000 rsq 0.1 12 spce.table HW-HW  0.4236  0.4236

PPPM initialization ...

WARNING: Using polynomial approximation for long-range coulomb (../kspace.cpp:321)

  G vector (1/distance) = 0.279652

  grid = 40 40 40

  stencil order = 5

  estimated absolute RMS force accuracy = 0.000394206

  estimated relative force accuracy = 1.18714e-06

  using double precision FFTs

  3d grid and FFT values/proc = 34263 16000



# switch to tabulated potential

pair_style      table linear 2000 pppm
@@ -109,15 +79,6 @@ pair_coeff 2 2 spce.table HW-HW 


thermo 10

run 100

PPPM initialization ...

WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:321)

  G vector (1/distance) = 0.279652

  grid = 40 40 40

  stencil order = 5

  estimated absolute RMS force accuracy = 0.000394674

  estimated relative force accuracy = 1.18855e-06

  using double precision FFTs

  3d grid and FFT values/proc = 34263 16000

Neighbor list info ...

  update every 1 steps, delay 10 steps, check yes

  max neighbors/atom: 2000, page size: 100000
@@ -130,49 +91,48 @@ Neighbor list info ... 
      pair build: half/bin/newton

      stencil: half/bin/3d/newton

      bin: standard

Per MPI rank memory allocation (min/avg/max) = 13.05 | 13.05 | 13.05 Mbytes

Per MPI rank memory allocation (min/avg/max) = 9.962 | 9.963 | 9.963 Mbytes

Step Temp E_pair E_mol TotEng Press 

       0            0   -100272.97            0   -100272.97   -1282.0708 

      10    120.61568   -101350.63            0   -100272.39   -4077.5051 

      20    136.11379   -101465.43            0   -100248.65   -5136.5677 

      30    137.01602    -101455.3            0   -100230.46   -5347.8311 

      40      153.424   -101582.46            0   -100210.93   -5223.1676 

      50    167.73654   -101686.24            0   -100186.77   -4468.6687 

      60    163.11642   -101618.16            0   -100159.99   -3291.7815 

      70    169.64512   -101647.89            0   -100131.35    -2611.638 

      80     182.9979   -101737.01            0   -100101.11   -2390.6293 

      90    191.33873   -101778.71            0   -100068.24    -2239.386 

     100     194.7458   -101775.84            0   -100034.92   -1951.9128 

Loop time of 2.35848 on 4 procs for 100 steps with 4500 atoms



Performance: 3.663 ns/day, 6.551 hours/ns, 42.400 timesteps/s

99.0% CPU use with 4 MPI tasks x 1 OpenMP threads

       0            0   -18284.922            0   -18284.922   -2080.7739 

      10    146.83806   -19552.072            0   -18239.421     -4865.31 

      20    183.15761   -18706.872            0   -17069.543   -4865.6695 

      30    205.96203   -18901.541            0   -17060.354   -4454.8634 

      40    241.62768   -18323.117            0   -16163.099   -3269.1475 

      50    265.98384   -19883.562            0   -17505.813   -2788.5194 

      60    274.01897   -21320.575            0   -18870.996   -2387.0708 

      70     288.7601   -19849.269            0   -17267.913    -1235.818 

      80    300.64724   -20958.602            0   -18270.981   -1714.7988 

      90    304.19113     -21580.4            0   -18861.099   -2144.1614 

     100    304.22027   -21239.014            0   -18519.452   -2092.6759 

Loop time of 1.7361 on 4 procs for 100 steps with 4500 atoms



Performance: 4.977 ns/day, 4.823 hours/ns, 57.600 timesteps/s

99.2% CPU use with 4 MPI tasks x 1 OpenMP threads



MPI task timing breakdown:

Section |  min time  |  avg time  |  max time  |%varavg| %total

---------------------------------------------------------------

Pair    | 1.5061     | 1.5612     | 1.6879     |   5.9 | 66.20

Bond    | 9.5129e-05 | 0.00012672 | 0.00014567 |   0.0 |  0.01

Kspace  | 0.52033    | 0.64456    | 0.69933    |   9.1 | 27.33

Neigh   | 0.066265   | 0.066342   | 0.06644    |   0.0 |  2.81

Comm    | 0.03394    | 0.036139   | 0.038043   |   0.8 |  1.53

Output  | 0.00040889 | 0.00044978 | 0.00056887 |   0.0 |  0.02

Modify  | 0.04557    | 0.045813   | 0.046082   |   0.1 |  1.94

Other   |            | 0.003826   |            |       |  0.16



Nlocal:    1125 ave 1154 max 1092 min

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

Nghost:    12256.2 ave 12296 max 12213 min

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

Neighs:    650442 ave 678824 max 626375 min

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



Total # of neighbors = 2601766

Ave neighs/atom = 578.17

Pair    | 1.4424     | 1.5149     | 1.6066     |   5.3 | 87.26

Bond    | 8.9407e-05 | 0.00010258 | 0.00012374 |   0.0 |  0.01

Neigh   | 0.064205   | 0.064241   | 0.064295   |   0.0 |  3.70

Comm    | 0.023643   | 0.1155     | 0.18821    |  19.2 |  6.65

Output  | 0.00038004 | 0.00042355 | 0.00054145 |   0.0 |  0.02

Modify  | 0.037507   | 0.037787   | 0.038042   |   0.1 |  2.18

Other   |            | 0.003148   |            |       |  0.18



Nlocal:    1125 ave 1162 max 1098 min

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

Nghost:    12267.8 ave 12302 max 12238 min

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

Neighs:    649416 ave 681458 max 630541 min

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



Total # of neighbors = 2597662

Ave neighs/atom = 577.258

Ave special neighs/atom = 2

Neighbor list builds = 3

Dangerous builds = 0



shell rm spce.table



Total wall time: 0:00:02
 
Total wall time: 0:00:01

examples/python/log.4May17.pair_python_hybrid.g++.1

+42 −39
Original line number Diff line number Diff line
@@ -14,6 +14,9 @@ Created orthogonal box = (0 0 0) to (16.796 16.796 16.796) 
create_atoms	1 box

Created 4000 atoms

mass		* 1.0

region          half block -0.1 4.9 0 10 0 10

set region half type 2

  2000 settings made for type



velocity	all create 3.0 87287
@@ -50,7 +53,7 @@ Neighbor list info ... 
      pair build: half/bin/atomonly/newton

      stencil: half/bin/3d/newton

      bin: standard

Per MPI rank memory allocation (min/avg/max) = 4.828 | 4.828 | 4.828 Mbytes

Per MPI rank memory allocation (min/avg/max) = 4.446 | 4.446 | 4.446 Mbytes

Step Temp E_pair E_mol TotEng Press 

       0            3   -6.7733681            0   -2.2744931   -3.7033504 

      50    1.6758903   -4.7955425            0   -2.2823355     5.670064
@@ -58,30 +61,30 @@ Step Temp E_pair E_mol TotEng Press 
     150    1.6324555   -4.7286791            0    -2.280608    5.9589514 

     200    1.6630725   -4.7750988            0   -2.2811136    5.7364886 

     250    1.6275257   -4.7224992            0    -2.281821    5.9567365 

Loop time of 21.9463 on 1 procs for 250 steps with 4000 atoms

Loop time of 10.0384 on 1 procs for 250 steps with 4000 atoms



Performance: 4921.114 tau/day, 11.391 timesteps/s

98.6% CPU use with 1 MPI tasks x 1 OpenMP threads

Performance: 10758.705 tau/day, 24.904 timesteps/s

98.8% CPU use with 1 MPI tasks x 1 OpenMP threads



MPI task timing breakdown:

Section |  min time  |  avg time  |  max time  |%varavg| %total

---------------------------------------------------------------

Pair    | 21.819     | 21.819     | 21.819     |   0.0 | 99.42

Neigh   | 0.094718   | 0.094718   | 0.094718   |   0.0 |  0.43

Comm    | 0.01407    | 0.01407    | 0.01407    |   0.0 |  0.06

Output  | 0.00024915 | 0.00024915 | 0.00024915 |   0.0 |  0.00

Modify  | 0.015002   | 0.015002   | 0.015002   |   0.0 |  0.07

Other   |            | 0.003232   |            |       |  0.01

Pair    | 9.913      | 9.913      | 9.913      |   0.0 | 98.75

Neigh   | 0.095569   | 0.095569   | 0.095569   |   0.0 |  0.95

Comm    | 0.012686   | 0.012686   | 0.012686   |   0.0 |  0.13

Output  | 0.00027537 | 0.00027537 | 0.00027537 |   0.0 |  0.00

Modify  | 0.01386    | 0.01386    | 0.01386    |   0.0 |  0.14

Other   |            | 0.003027   |            |       |  0.03



Nlocal:    4000 ave 4000 max 4000 min

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

Nghost:    5499 ave 5499 max 5499 min

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

Neighs:    0 ave 0 max 0 min

Neighs:    85978 ave 85978 max 85978 min

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



Total # of neighbors = 0

Ave neighs/atom = 0

Total # of neighbors = 85978

Ave neighs/atom = 21.4945

Neighbor list builds = 12

Dangerous builds not checked
@@ -126,7 +129,7 @@ Neighbor list info ... 
      pair build: half/bin/atomonly/newton

      stencil: half/bin/3d/newton

      bin: standard

Per MPI rank memory allocation (min/avg/max) = 4.626 | 4.626 | 4.626 Mbytes

Per MPI rank memory allocation (min/avg/max) = 4.245 | 4.245 | 4.245 Mbytes

Step Temp E_pair E_mol TotEng Press 

     250    1.6275257   -4.7224992            0    -2.281821    5.9567365 

     300     1.645592   -4.7496711            0   -2.2819002    5.8734193
@@ -134,30 +137,30 @@ Step Temp E_pair E_mol TotEng Press 
     400    1.6540555   -4.7622999            0    -2.281837    5.8200413 

     450    1.6264734   -4.7200865            0   -2.2809863    5.9546991 

     500    1.6366891   -4.7350979            0   -2.2806781    5.9369284 

Loop time of 21.9098 on 1 procs for 250 steps with 4000 atoms

Loop time of 10.0803 on 1 procs for 250 steps with 4000 atoms



Performance: 4929.303 tau/day, 11.410 timesteps/s

98.8% CPU use with 1 MPI tasks x 1 OpenMP threads

Performance: 10713.932 tau/day, 24.801 timesteps/s

98.7% CPU use with 1 MPI tasks x 1 OpenMP threads



MPI task timing breakdown:

Section |  min time  |  avg time  |  max time  |%varavg| %total

---------------------------------------------------------------

Pair    | 21.68      | 21.68      | 21.68      |   0.0 | 98.95

Neigh   | 0.19625    | 0.19625    | 0.19625    |   0.0 |  0.90

Comm    | 0.014877   | 0.014877   | 0.014877   |   0.0 |  0.07

Output  | 0.00027227 | 0.00027227 | 0.00027227 |   0.0 |  0.00

Modify  | 0.013663   | 0.013663   | 0.013663   |   0.0 |  0.06

Other   |            | 0.004371   |            |       |  0.02

Pair    | 9.8479     | 9.8479     | 9.8479     |   0.0 | 97.69

Neigh   | 0.20002    | 0.20002    | 0.20002    |   0.0 |  1.98

Comm    | 0.01437    | 0.01437    | 0.01437    |   0.0 |  0.14

Output  | 0.00024033 | 0.00024033 | 0.00024033 |   0.0 |  0.00

Modify  | 0.013422   | 0.013422   | 0.013422   |   0.0 |  0.13

Other   |            | 0.004348   |            |       |  0.04



Nlocal:    4000 ave 4000 max 4000 min

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

Nghost:    5472 ave 5472 max 5472 min

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

Neighs:    0 ave 0 max 0 min

Neighs:    86930 ave 86930 max 86930 min

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



Total # of neighbors = 0

Ave neighs/atom = 0

Total # of neighbors = 86930

Ave neighs/atom = 21.7325

Neighbor list builds = 25

Dangerous builds = 25
@@ -208,7 +211,7 @@ Neighbor list info ... 
      pair build: half/bin/atomonly/newton

      stencil: half/bin/3d/newton

      bin: standard

Per MPI rank memory allocation (min/avg/max) = 4.126 | 4.126 | 4.126 Mbytes

Per MPI rank memory allocation (min/avg/max) = 3.745 | 3.745 | 3.745 Mbytes

Step Temp E_pair E_mol TotEng Press 

       0    1.6275257   -4.7224992            0    -2.281821    5.9567365 

      50    1.6454666   -4.7497515            0   -2.2821686    5.8729175
@@ -216,32 +219,32 @@ Step Temp E_pair E_mol TotEng Press 
     150    1.6537193   -4.7627023            0   -2.2827434    5.8177704 

     200    1.6258731   -4.7205017            0   -2.2823017     5.952511 

     250    1.6370862   -4.7373176            0   -2.2823022     5.925807 

Loop time of 22.091 on 1 procs for 250 steps with 4000 atoms

Loop time of 9.93686 on 1 procs for 250 steps with 4000 atoms



Performance: 4888.868 tau/day, 11.317 timesteps/s

Performance: 10868.626 tau/day, 25.159 timesteps/s

98.8% CPU use with 1 MPI tasks x 1 OpenMP threads



MPI task timing breakdown:

Section |  min time  |  avg time  |  max time  |%varavg| %total

---------------------------------------------------------------

Pair    | 21.966     | 21.966     | 21.966     |   0.0 | 99.43

Neigh   | 0.094647   | 0.094647   | 0.094647   |   0.0 |  0.43

Comm    | 0.013071   | 0.013071   | 0.013071   |   0.0 |  0.06

Output  | 0.00027871 | 0.00027871 | 0.00027871 |   0.0 |  0.00

Modify  | 0.013882   | 0.013882   | 0.013882   |   0.0 |  0.06

Other   |            | 0.003102   |            |       |  0.01

Pair    | 9.8119     | 9.8119     | 9.8119     |   0.0 | 98.74

Neigh   | 0.096041   | 0.096041   | 0.096041   |   0.0 |  0.97

Comm    | 0.01243    | 0.01243    | 0.01243    |   0.0 |  0.13

Output  | 0.00028133 | 0.00028133 | 0.00028133 |   0.0 |  0.00

Modify  | 0.013261   | 0.013261   | 0.013261   |   0.0 |  0.13

Other   |            | 0.002994   |            |       |  0.03



Nlocal:    4000 ave 4000 max 4000 min

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

Nghost:    5487 ave 5487 max 5487 min

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

Neighs:    0 ave 0 max 0 min

Neighs:    86831 ave 86831 max 86831 min

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



Total # of neighbors = 0

Ave neighs/atom = 0

Total # of neighbors = 86831

Ave neighs/atom = 21.7078

Neighbor list builds = 12

Dangerous builds not checked



shell rm hybrid.data hybrid.restart

Total wall time: 0:01:07
 
Total wall time: 0:00:30

examples/python/log.4May17.pair_python_hybrid.g++.4

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examples/python/log.4May17.pair_python_long.g++.1

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