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update example outputs

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Axel Kohlmeyer
2017-05-18 00:46:49 -04:00
parent 24654ad28f
commit 0208fe9996
12 changed files with 535 additions and 317 deletions
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22
examples/python/log.4May17.pair_python_spce.g++.4
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@ -90,22 +90,22 @@ Step Temp E_pair E_mol TotEng Press
80 182.94811 -18155.978 0 -16520.523 -2393.3156
90 191.29902 -18197.887 0 -16487.779 -2242.7104
100 194.70949 -18195.021 0 -16454.425 -1955.2916
Loop time of 6.588 on 4 procs for 100 steps with 4500 atoms
Loop time of 6.4942 on 4 procs for 100 steps with 4500 atoms
Performance: 1.311 ns/day, 18.300 hours/ns, 15.179 timesteps/s
98.4% CPU use with 4 MPI tasks x 1 OpenMP threads
Performance: 1.330 ns/day, 18.039 hours/ns, 15.398 timesteps/s
98.7% CPU use with 4 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 5.3756 | 5.5417 | 5.8745 | 8.3 | 84.12
Bond | 0.0001049 | 0.00013965 | 0.0001812 | 0.0 | 0.00
Kspace | 0.54765 | 0.87786 | 1.042 | 20.8 | 13.33
Neigh | 0.072695 | 0.072884 | 0.072973 | 0.0 | 1.11
Comm | 0.04138 | 0.043576 | 0.045475 | 0.7 | 0.66
Output | 0.00041032 | 0.00043947 | 0.00052142 | 0.0 | 0.01
Modify | 0.047381 | 0.047567 | 0.047745 | 0.1 | 0.72
Other | | 0.003845 | | | 0.06
Pair | 5.4084 | 5.572 | 5.8013 | 7.2 | 85.80
Bond | 0.00012994 | 0.0001421 | 0.00016356 | 0.0 | 0.00
Kspace | 0.52942 | 0.75773 | 0.92078 | 19.5 | 11.67
Neigh | 0.071055 | 0.07116 | 0.071278 | 0.0 | 1.10
Comm | 0.040311 | 0.041255 | 0.041817 | 0.3 | 0.64
Output | 0.00040603 | 0.00048071 | 0.00058675 | 0.0 | 0.01
Modify | 0.047507 | 0.047629 | 0.047772 | 0.1 | 0.73
Other | | 0.003771 | | | 0.06
Nlocal: 1125 ave 1154 max 1092 min
Histogram: 1 0 0 0 1 0 0 1 0 1