ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

update example outputs

Browse Source
This commit is contained in:
Axel Kohlmeyer
2017-05-18 00:46:49 -04:00
parent 24654ad28f
commit 0208fe9996
12 changed files with 535 additions and 317 deletions
Download Patch File Download Diff File Expand all files Collapse all files

54
examples/python/log.4May17.pair_python_melt.g++.1
View File

@ -47,20 +47,20 @@ 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 21.6481 on 1 procs for 250 steps with 4000 atoms
Loop time of 20.9283 on 1 procs for 250 steps with 4000 atoms
Performance: 4988.899 tau/day, 11.548 timesteps/s
98.5% CPU use with 1 MPI tasks x 1 OpenMP threads
Performance: 5160.475 tau/day, 11.946 timesteps/s
98.6% CPU use with 1 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 21.529 | 21.529 | 21.529 | 0.0 | 99.45
Neigh | 0.08819 | 0.08819 | 0.08819 | 0.0 | 0.41
Comm | 0.013276 | 0.013276 | 0.013276 | 0.0 | 0.06
Output | 0.00025654 | 0.00025654 | 0.00025654 | 0.0 | 0.00
Modify | 0.014466 | 0.014466 | 0.014466 | 0.0 | 0.07
Other | | 0.003143 | | | 0.01
Pair | 20.809 | 20.809 | 20.809 | 0.0 | 99.43
Neigh | 0.088638 | 0.088638 | 0.088638 | 0.0 | 0.42
Comm | 0.013424 | 0.013424 | 0.013424 | 0.0 | 0.06
Output | 0.0002737 | 0.0002737 | 0.0002737 | 0.0 | 0.00
Modify | 0.014334 | 0.014334 | 0.014334 | 0.0 | 0.07
Other | | 0.003089 | | | 0.01
Nlocal: 4000 ave 4000 max 4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
@ -112,20 +112,20 @@ 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 21.9592 on 1 procs for 250 steps with 4000 atoms
Loop time of 21.1422 on 1 procs for 250 steps with 4000 atoms
Performance: 4918.203 tau/day, 11.385 timesteps/s
Performance: 5108.279 tau/day, 11.825 timesteps/s
98.5% CPU use with 1 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 21.74 | 21.74 | 21.74 | 0.0 | 99.00
Neigh | 0.18588 | 0.18588 | 0.18588 | 0.0 | 0.85
Comm | 0.01476 | 0.01476 | 0.01476 | 0.0 | 0.07
Output | 0.00022244 | 0.00022244 | 0.00022244 | 0.0 | 0.00
Modify | 0.01356 | 0.01356 | 0.01356 | 0.0 | 0.06
Other | | 0.004382 | | | 0.02
Pair | 20.925 | 20.925 | 20.925 | 0.0 | 98.97
Neigh | 0.18452 | 0.18452 | 0.18452 | 0.0 | 0.87
Comm | 0.014836 | 0.014836 | 0.014836 | 0.0 | 0.07
Output | 0.00027108 | 0.00027108 | 0.00027108 | 0.0 | 0.00
Modify | 0.01366 | 0.01366 | 0.01366 | 0.0 | 0.06
Other | | 0.004355 | | | 0.02
Nlocal: 4000 ave 4000 max 4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
@ -183,20 +183,20 @@ 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 21.8255 on 1 procs for 250 steps with 4000 atoms
Loop time of 21.1026 on 1 procs for 250 steps with 4000 atoms
Performance: 4948.331 tau/day, 11.454 timesteps/s
98.6% CPU use with 1 MPI tasks x 1 OpenMP threads
Performance: 5117.845 tau/day, 11.847 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 | 21.707 | 21.707 | 21.707 | 0.0 | 99.46
Neigh | 0.088455 | 0.088455 | 0.088455 | 0.0 | 0.41
Comm | 0.01311 | 0.01311 | 0.01311 | 0.0 | 0.06
Output | 0.00025082 | 0.00025082 | 0.00025082 | 0.0 | 0.00
Modify | 0.013836 | 0.013836 | 0.013836 | 0.0 | 0.06
Other | | 0.003096 | | | 0.01
Pair | 20.984 | 20.984 | 20.984 | 0.0 | 99.44
Neigh | 0.088639 | 0.088639 | 0.088639 | 0.0 | 0.42
Comm | 0.012881 | 0.012881 | 0.012881 | 0.0 | 0.06
Output | 0.00028563 | 0.00028563 | 0.00028563 | 0.0 | 0.00
Modify | 0.013523 | 0.013523 | 0.013523 | 0.0 | 0.06
Other | | 0.003033 | | | 0.01
Nlocal: 4000 ave 4000 max 4000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
@ -211,4 +211,4 @@ Neighbor list builds = 12
Dangerous builds not checked
shell rm melt.data melt.restart
Total wall time: 0:01:07
Total wall time: 0:01:05