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

56
examples/python/log.4May17.pair_python_melt.g++.4
View File

@ -47,20 +47,20 @@ 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 5.83903 on 4 procs for 250 steps with 4000 atoms
Loop time of 5.65922 on 4 procs for 250 steps with 4000 atoms
Performance: 18496.226 tau/day, 42.815 timesteps/s
98.2% CPU use with 4 MPI tasks x 1 OpenMP threads
Performance: 19083.895 tau/day, 44.176 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 | 5.152 | 5.5209 | 5.7679 | 9.6 | 94.55
Neigh | 0.022809 | 0.023364 | 0.023891 | 0.3 | 0.40
Comm | 0.041927 | 0.28952 | 0.65893 | 42.2 | 4.96
Output | 0.0002389 | 0.00024772 | 0.00026727 | 0.0 | 0.00
Modify | 0.0036368 | 0.0036796 | 0.0037563 | 0.1 | 0.06
Other | | 0.001328 | | | 0.02
Pair | 5.4529 | 5.5207 | 5.5575 | 1.7 | 97.55
Neigh | 0.023164 | 0.023376 | 0.023883 | 0.2 | 0.41
Comm | 0.073318 | 0.1099 | 0.17804 | 12.2 | 1.94
Output | 0.00023365 | 0.00026143 | 0.00030684 | 0.0 | 0.00
Modify | 0.0036483 | 0.0037143 | 0.003896 | 0.2 | 0.07
Other | | 0.001274 | | | 0.02
Nlocal: 1000 ave 1010 max 982 min
Histogram: 1 0 0 0 0 0 1 0 0 2
@ -112,20 +112,20 @@ 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 5.85683 on 4 procs for 250 steps with 4000 atoms
Loop time of 5.70169 on 4 procs for 250 steps with 4000 atoms
Performance: 18440.001 tau/day, 42.685 timesteps/s
98.4% CPU use with 4 MPI tasks x 1 OpenMP threads
Performance: 18941.760 tau/day, 43.847 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 | 5.2483 | 5.5095 | 5.7744 | 8.0 | 94.07
Neigh | 0.047228 | 0.047998 | 0.049293 | 0.4 | 0.82
Comm | 0.027134 | 0.29341 | 0.55554 | 34.6 | 5.01
Output | 0.00020003 | 0.00021219 | 0.0002358 | 0.0 | 0.00
Modify | 0.0035472 | 0.0036988 | 0.0038681 | 0.2 | 0.06
Other | | 0.001984 | | | 0.03
Pair | 5.3919 | 5.4905 | 5.6136 | 3.7 | 96.30
Neigh | 0.046791 | 0.047817 | 0.048795 | 0.3 | 0.84
Comm | 0.034221 | 0.1575 | 0.25635 | 22.1 | 2.76
Output | 0.00020409 | 0.00023448 | 0.00026131 | 0.0 | 0.00
Modify | 0.0035028 | 0.0035674 | 0.0036926 | 0.1 | 0.06
Other | | 0.002079 | | | 0.04
Nlocal: 1000 ave 1012 max 983 min
Histogram: 1 0 0 0 0 0 2 0 0 1
@ -183,20 +183,20 @@ 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 5.86684 on 4 procs for 250 steps with 4000 atoms
Loop time of 5.69568 on 4 procs for 250 steps with 4000 atoms
Performance: 18408.545 tau/day, 42.612 timesteps/s
98.4% CPU use with 4 MPI tasks x 1 OpenMP threads
Performance: 18961.751 tau/day, 43.893 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 | 5.3207 | 5.5695 | 5.8071 | 7.6 | 94.93
Neigh | 0.023073 | 0.023405 | 0.023834 | 0.2 | 0.40
Comm | 0.030558 | 0.2686 | 0.51789 | 34.7 | 4.58
Output | 0.00028825 | 0.00036758 | 0.00042987 | 0.0 | 0.01
Modify | 0.0034878 | 0.0036733 | 0.0039375 | 0.3 | 0.06
Other | | 0.001259 | | | 0.02
Pair | 5.4041 | 5.5245 | 5.6139 | 3.2 | 96.99
Neigh | 0.022658 | 0.022986 | 0.023398 | 0.2 | 0.40
Comm | 0.053521 | 0.14309 | 0.26385 | 20.2 | 2.51
Output | 0.00027037 | 0.00029504 | 0.00033665 | 0.0 | 0.01
Modify | 0.0035288 | 0.0035585 | 0.0035827 | 0.0 | 0.06
Other | | 0.001275 | | | 0.02
Nlocal: 1000 ave 1013 max 989 min
Histogram: 1 0 0 1 0 1 0 0 0 1
@ -211,4 +211,4 @@ Neighbor list builds = 12
Dangerous builds not checked
shell rm melt.data melt.restart
Total wall time: 0:00:18
Total wall time: 0:00:17