git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12149 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2014-06-27 17:35:07 +00:00 · 2014-06-27 17:35:07 +00:00 · ae2d215b8c
parent b9531f508f
commit ae2d215b8c
4 changed files with 116 additions and 0 deletions
--- a/examples/kim/log.kim.lj.23Jun14.ubuntu.1
+++ b/examples/kim/log.kim.lj.23Jun14.ubuntu.1
@ -0,0 +1,29 @@
+LAMMPS (14 Jun 2014)
+Lattice spacing in x,y,z = 4.43 4.43 4.43
+Created orthogonal box = (0 0 0) to (88.6 88.6 88.6)
+  1 by 1 by 1 MPI processor grid
+Created 32000 atoms
+Setting up run ...
+Memory usage per processor = 9.43789 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0          200   -741.55469            0    85.684388   -34.939092 
+     100    108.37517   -362.56658            0    85.694308    3963.7892 
+Loop time of 3.83621 on 1 procs for 100 steps with 32000 atoms
+
+Pair  time (%) = 3.2118 (83.7233)
+Neigh time (%) = 0.542907 (14.1522)
+Comm  time (%) = 0.0232558 (0.606219)
+Outpt time (%) = 0.000192881 (0.0050279)
+Other time (%) = 0.0580511 (1.51324)
+
+Nlocal:    32000 ave 32000 max 32000 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    20131 ave 20131 max 20131 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    2.09236e+06 ave 2.09236e+06 max 2.09236e+06 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 2092355
+Ave neighs/atom = 65.3861
+Neighbor list builds = 5
+Dangerous builds = 0
--- a/examples/kim/log.kim.lj.23Jun14.ubuntu.4
+++ b/examples/kim/log.kim.lj.23Jun14.ubuntu.4
@ -0,0 +1,29 @@
+LAMMPS (14 Jun 2014)
+Lattice spacing in x,y,z = 4.43 4.43 4.43
+Created orthogonal box = (0 0 0) to (88.6 88.6 88.6)
+  1 by 2 by 2 MPI processor grid
+Created 32000 atoms
+Setting up run ...
+Memory usage per processor = 4.70961 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0          200   -741.55469            0    85.684388   -34.939092 
+     100    108.37517   -362.56658            0    85.694308    3963.7892 
+Loop time of 4.5871 on 4 procs for 100 steps with 32000 atoms
+
+Pair  time (%) = 2.86385 (62.4326)
+Neigh time (%) = 0.52011 (11.3385)
+Comm  time (%) = 1.14193 (24.8943)
+Outpt time (%) = 0.000616491 (0.0134397)
+Other time (%) = 0.0606013 (1.32112)
+
+Nlocal:    8000 ave 8010 max 7989 min
+Histogram: 1 0 0 0 0 2 0 0 0 1
+Nghost:    9240.25 ave 9249 max 9228 min
+Histogram: 1 0 0 0 1 0 0 0 0 2
+Neighs:    555266 ave 555920 max 554805 min
+Histogram: 2 0 0 0 0 1 0 0 0 1
+
+Total # of neighbors = 2221065
+Ave neighs/atom = 69.4083
+Neighbor list builds = 5
+Dangerous builds = 0
--- a/examples/kim/log.kim.lj.lmp.23Jun14.ubuntu.1
+++ b/examples/kim/log.kim.lj.lmp.23Jun14.ubuntu.1
@ -0,0 +1,29 @@
+LAMMPS (14 Jun 2014)
+Lattice spacing in x,y,z = 4.43 4.43 4.43
+Created orthogonal box = (0 0 0) to (88.6 88.6 88.6)
+  1 by 1 by 1 MPI processor grid
+Created 32000 atoms
+Setting up run ...
+Memory usage per processor = 9.18789 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0          200   -741.55469            0    85.684388   -34.939092 
+     100    108.37517   -362.56658            0    85.694308    3963.7892 
+Loop time of 2.93267 on 1 procs for 100 steps with 32000 atoms
+
+Pair  time (%) = 2.53716 (86.5136)
+Neigh time (%) = 0.316884 (10.8053)
+Comm  time (%) = 0.0216067 (0.736757)
+Outpt time (%) = 0.000198126 (0.00675581)
+Other time (%) = 0.0568225 (1.93757)
+
+Nlocal:    32000 ave 32000 max 32000 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    20131 ave 20131 max 20131 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    1.88909e+06 ave 1.88909e+06 max 1.88909e+06 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 1889091
+Ave neighs/atom = 59.0341
+Neighbor list builds = 5
+Dangerous builds = 0
--- a/examples/kim/log.kim.lj.lmp.23Jun14.ubuntu.4
+++ b/examples/kim/log.kim.lj.lmp.23Jun14.ubuntu.4
@ -0,0 +1,29 @@
+LAMMPS (14 Jun 2014)
+Lattice spacing in x,y,z = 4.43 4.43 4.43
+Created orthogonal box = (0 0 0) to (88.6 88.6 88.6)
+  1 by 2 by 2 MPI processor grid
+Created 32000 atoms
+Setting up run ...
+Memory usage per processor = 4.58461 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0          200   -741.55469            0    85.684388   -34.939092 
+     100    108.37517   -362.56658            0    85.694308    3963.7892 
+Loop time of 3.50562 on 4 procs for 100 steps with 32000 atoms
+
+Pair  time (%) = 1.8707 (53.3628)
+Neigh time (%) = 0.297524 (8.48707)
+Comm  time (%) = 1.28415 (36.6314)
+Outpt time (%) = 0.000634253 (0.0180925)
+Other time (%) = 0.052608 (1.50068)
+
+Nlocal:    8000 ave 8010 max 7989 min
+Histogram: 1 0 0 0 0 2 0 0 0 1
+Nghost:    9240.25 ave 9249 max 9228 min
+Histogram: 1 0 0 0 1 0 0 0 0 2
+Neighs:    472273 ave 473390 max 471652 min
+Histogram: 2 0 0 1 0 0 0 0 0 1
+
+Total # of neighbors = 1889091
+Ave neighs/atom = 59.0341
+Neighbor list builds = 5
+Dangerous builds = 0