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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12265 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-08-06 23:29:57 +00:00
parent c7454ea146
commit d1148fd1ee
4 changed files with 72 additions and 14 deletions
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14
examples/kim/log.kim.lj.23Jun14.ubuntu.1 → examples/kim/log.kim.lj.27Jul14.ubuntu.1
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@ -1,4 +1,4 @@
LAMMPS (14 Jun 2014)
LAMMPS (22 Jul 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
@ -8,13 +8,13 @@ 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
Loop time of 4.75245 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)
Pair time (%) = 4.01667 (84.518)
Neigh time (%) = 0.625528 (13.1622)
Comm time (%) = 0.0258038 (0.542958)
Outpt time (%) = 0.000221968 (0.0046706)
Other time (%) = 0.0842211 (1.77216)
Nlocal: 32000 ave 32000 max 32000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

14
examples/kim/log.kim.lj.23Jun14.ubuntu.4 → examples/kim/log.kim.lj.27Jul14.ubuntu.4
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@ -1,4 +1,4 @@
LAMMPS (14 Jun 2014)
LAMMPS (22 Jul 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
@ -8,13 +8,13 @@ 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
Loop time of 5.90028 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)
Pair time (%) = 3.60006 (61.0151)
Neigh time (%) = 0.647729 (10.9779)
Comm time (%) = 1.53499 (26.0156)
Outpt time (%) = 0.000967205 (0.0163925)
Other time (%) = 0.116533 (1.97503)
Nlocal: 8000 ave 8010 max 7989 min
Histogram: 1 0 0 0 0 2 0 0 0 1

29
examples/kim/log.kim.lj.lmp.27Jul14.ubuntu.1 Normal file
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@ -0,0 +1,29 @@
LAMMPS (22 Jul 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 3.54831 on 1 procs for 100 steps with 32000 atoms
Pair time (%) = 3.08427 (86.9224)
Neigh time (%) = 0.360906 (10.1712)
Comm time (%) = 0.0227935 (0.642378)
Outpt time (%) = 0.000263929 (0.00743818)
Other time (%) = 0.08007 (2.25657)
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

29
examples/kim/log.kim.lj.lmp.27Jul14.ubuntu.4 Normal file
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@ -0,0 +1,29 @@
LAMMPS (22 Jul 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 4.39234 on 4 procs for 100 steps with 32000 atoms
Pair time (%) = 2.46061 (56.0206)
Neigh time (%) = 0.355866 (8.10198)
Comm time (%) = 1.4468 (32.9392)
Outpt time (%) = 0.00400174 (0.0911073)
Other time (%) = 0.125055 (2.84712)
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