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RQC-HU / sum_dirac_dfcoef

This program summarizes the coefficients from DIRAC (http://diracprogram.org) output file that the .ANALYZE option and *PRIVEC and .VECPRI options in **ANALYZE section are used. (c.f. http://www.diracprogram.org/doc/release-23/manual/analyze/privec.html)
https://pypi.org/project/sum-dirac-dfcoef/
GNU Lesser General Public License v2.1
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Supports multi-process parallelization #78

Closed kohei-noda-qcrg closed 9 months ago

kohei-noda-qcrg commented 9 months ago

216MBのデータの場合、1並列と比べて概ね3倍程度まで高速化されます

Start running "sum_dirac_dfcoef -j1 -i ./Cm3+_phen.out -g" for 5 times...
Total time: 225.5122283489909 sec
Average time: 45.10244566979818 sec
Start running "sum_dirac_dfcoef -j4 -i ./Cm3+_phen.out -g" for 5 times...
Total time: 109.67492689198116 sec
Average time: 21.93498537839623 sec
Start running "sum_dirac_dfcoef -j8 -i ./Cm3+_phen.out -g" for 5 times...
Total time: 92.90136299503502 sec
Average time: 18.580272599007003 sec