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

83
examples/python/log.4May17.pair_python_hybrid.g++.4
View File

@ -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
@ -58,30 +61,30 @@ Step Temp E_pair E_mol TotEng Press
150 1.6596605 -4.7699432 0 -2.2810749 5.7830138
200 1.6371874 -4.7365462 0 -2.2813789 5.9246674
250 1.6323462 -4.7292021 0 -2.2812949 5.9762238
Loop time of 6.01723 on 4 procs for 250 steps with 4000 atoms
Loop time of 2.71748 on 4 procs for 250 steps with 4000 atoms
Performance: 17948.472 tau/day, 41.547 timesteps/s
98.2% CPU use with 4 MPI tasks x 1 OpenMP threads
Performance: 39742.745 tau/day, 91.997 timesteps/s
98.4% CPU use with 4 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 5.1507 | 5.4989 | 5.9629 | 13.1 | 91.39
Neigh | 0.024123 | 0.024877 | 0.025959 | 0.5 | 0.41
Comm | 0.02258 | 0.48785 | 0.83691 | 44.1 | 8.11
Output | 0.00039768 | 0.00045246 | 0.00052929 | 0.0 | 0.01
Modify | 0.0036325 | 0.0037773 | 0.0038905 | 0.2 | 0.06
Other | | 0.001357 | | | 0.02
Pair | 2.4777 | 2.5639 | 2.6253 | 3.9 | 94.35
Neigh | 0.024626 | 0.025331 | 0.02598 | 0.3 | 0.93
Comm | 0.061933 | 0.12297 | 0.20987 | 18.0 | 4.53
Output | 0.00026131 | 0.00027591 | 0.00031352 | 0.0 | 0.01
Modify | 0.0036087 | 0.0036573 | 0.0037553 | 0.1 | 0.13
Other | | 0.001337 | | | 0.05
Nlocal: 1000 ave 1010 max 982 min
Histogram: 1 0 0 0 0 0 1 0 0 2
Nghost: 2703.75 ave 2713 max 2689 min
Histogram: 1 0 0 0 0 0 0 2 0 1
Neighs: 0 ave 0 max 0 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Neighs: 21469.8 ave 22167 max 20546 min
Histogram: 1 0 0 0 0 1 1 0 0 1
Total # of neighbors = 0
Ave neighs/atom = 0
Total # of neighbors = 85879
Ave neighs/atom = 21.4698
Neighbor list builds = 12
Dangerous builds not checked
@ -134,30 +137,30 @@ Step Temp E_pair E_mol TotEng Press
400 1.6388136 -4.7387093 0 -2.2811035 5.9331084
450 1.6431295 -4.7452215 0 -2.2811435 5.8929898
500 1.643316 -4.7454222 0 -2.2810644 5.8454817
Loop time of 6.09991 on 4 procs for 250 steps with 4000 atoms
Loop time of 2.75827 on 4 procs for 250 steps with 4000 atoms
Performance: 17705.179 tau/day, 40.984 timesteps/s
98.2% CPU use with 4 MPI tasks x 1 OpenMP threads
Performance: 39155.038 tau/day, 90.637 timesteps/s
98.3% CPU use with 4 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 5.2315 | 5.5179 | 6.0183 | 13.7 | 90.46
Neigh | 0.049134 | 0.051424 | 0.053837 | 0.8 | 0.84
Comm | 0.021671 | 0.52455 | 0.8132 | 44.5 | 8.60
Output | 0.00019336 | 0.00026017 | 0.00032115 | 0.0 | 0.00
Modify | 0.0036032 | 0.0036635 | 0.0038021 | 0.1 | 0.06
Other | | 0.002068 | | | 0.03
Pair | 2.3631 | 2.5412 | 2.6672 | 7.2 | 92.13
Neigh | 0.050358 | 0.052316 | 0.053312 | 0.5 | 1.90
Comm | 0.032793 | 0.15893 | 0.33904 | 29.1 | 5.76
Output | 0.00018525 | 0.00020212 | 0.00024509 | 0.0 | 0.01
Modify | 0.0034482 | 0.0035321 | 0.0036578 | 0.1 | 0.13
Other | | 0.002039 | | | 0.07
Nlocal: 1000 ave 1012 max 983 min
Histogram: 1 0 0 0 0 0 2 0 0 1
Nghost: 2699 ave 2706 max 2693 min
Histogram: 1 1 0 0 0 0 1 0 0 1
Neighs: 0 ave 0 max 0 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Neighs: 21802 ave 22700 max 21236 min
Histogram: 1 1 0 1 0 0 0 0 0 1
Total # of neighbors = 0
Ave neighs/atom = 0
Total # of neighbors = 87208
Ave neighs/atom = 21.802
Neighbor list builds = 25
Dangerous builds = 25
@ -216,32 +219,32 @@ Step Temp E_pair E_mol TotEng Press
150 1.6384234 -4.7389689 0 -2.2819482 5.9315273
200 1.6428814 -4.7460743 0 -2.2823683 5.8888228
250 1.6432631 -4.7466603 0 -2.2823818 5.8398819
Loop time of 6.04476 on 4 procs for 250 steps with 4000 atoms
Loop time of 2.71936 on 4 procs for 250 steps with 4000 atoms
Performance: 17866.705 tau/day, 41.358 timesteps/s
98.3% CPU use with 4 MPI tasks x 1 OpenMP threads
Performance: 39715.257 tau/day, 91.933 timesteps/s
98.4% CPU use with 4 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 5.2589 | 5.5841 | 5.9788 | 11.1 | 92.38
Neigh | 0.023942 | 0.024705 | 0.025509 | 0.4 | 0.41
Comm | 0.034946 | 0.43056 | 0.75671 | 40.0 | 7.12
Output | 0.00022149 | 0.00029725 | 0.0003593 | 0.0 | 0.00
Modify | 0.003613 | 0.0037647 | 0.003829 | 0.1 | 0.06
Other | | 0.001313 | | | 0.02
Pair | 2.3769 | 2.5432 | 2.6447 | 6.6 | 93.52
Neigh | 0.024088 | 0.025093 | 0.025748 | 0.4 | 0.92
Comm | 0.044614 | 0.14598 | 0.31339 | 27.5 | 5.37
Output | 0.00026488 | 0.00028872 | 0.00034189 | 0.0 | 0.01
Modify | 0.0034099 | 0.0035709 | 0.0036535 | 0.2 | 0.13
Other | | 0.001215 | | | 0.04
Nlocal: 1000 ave 1013 max 989 min
Histogram: 1 0 0 1 0 1 0 0 0 1
Nghost: 2695.5 ave 2706 max 2682 min
Histogram: 1 0 0 0 0 0 2 0 0 1
Neighs: 0 ave 0 max 0 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Neighs: 21792 ave 22490 max 21457 min
Histogram: 2 0 1 0 0 0 0 0 0 1
Total # of neighbors = 0
Ave neighs/atom = 0
Total # of neighbors = 87168
Ave neighs/atom = 21.792
Neighbor list builds = 12
Dangerous builds not checked
shell rm hybrid.data hybrid.restart
Total wall time: 0:00:18
Total wall time: 0:00:08