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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13504 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-07-02 00:44:17 +00:00
parent 7abe03a595
commit b3242e1962
4 changed files with 132 additions and 0 deletions
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examples/kim/log.kim.lj.28jun15.ubuntu.1 Normal file
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LAMMPS (15 May 2015)
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
Neighbor list info ...
1 neighbor list requests
update every 1 steps, delay 0 steps, check yes
master list distance cutoff = 8.45
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 3.79746 on 1 procs for 100 steps with 32000 atoms
Pair time (%) = 3.18686 (83.9207)
Neigh time (%) = 0.524724 (13.8178)
Comm time (%) = 0.0244031 (0.642616)
Outpt time (%) = 0.000174046 (0.00458321)
Other time (%) = 0.061305 (1.61437)
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

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examples/kim/log.kim.lj.28jun15.ubuntu.4 Normal file
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LAMMPS (15 May 2015)
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
Neighbor list info ...
1 neighbor list requests
update every 1 steps, delay 0 steps, check yes
master list distance cutoff = 8.45
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 7.25305 on 4 procs for 100 steps with 32000 atoms
Pair time (%) = 2.52571 (34.8227)
Neigh time (%) = 0.500287 (6.8976)
Comm time (%) = 3.70236 (51.0456)
Outpt time (%) = 0.00146681 (0.0202234)
Other time (%) = 0.523229 (7.21391)
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

33
examples/kim/log.kim.lj.lmp.28jun15.ubuntu.1 Normal file
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LAMMPS (15 May 2015)
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
Neighbor list info ...
1 neighbor list requests
update every 1 steps, delay 0 steps, check yes
master list distance cutoff = 8.45
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 2.95205 on 1 procs for 100 steps with 32000 atoms
Pair time (%) = 2.52074 (85.3894)
Neigh time (%) = 0.347949 (11.7867)
Comm time (%) = 0.0228171 (0.772925)
Outpt time (%) = 0.000188828 (0.00639649)
Other time (%) = 0.0603588 (2.04464)
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

33
examples/kim/log.kim.lj.lmp.28jun15.ubuntu.4 Normal file
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LAMMPS (15 May 2015)
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
Neighbor list info ...
1 neighbor list requests
update every 1 steps, delay 0 steps, check yes
master list distance cutoff = 8.45
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 6.15911 on 4 procs for 100 steps with 32000 atoms
Pair time (%) = 1.76201 (28.6083)
Neigh time (%) = 0.265002 (4.30261)
Comm time (%) = 3.64452 (59.1729)
Outpt time (%) = 0.0169877 (0.275815)
Other time (%) = 0.470582 (7.64042)
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