I do not think anything has been done that negatively affects speed of execution. Before taking seriously any claim on increased or decreased speed due to X, I want to see a "diff" of two runs made with different X and all other conditions unchanged; plus a few different runs of the same code yielding the same results and very close timings.
Paolo On Wed, Nov 23, 2016 at 12:09 PM, Francesco Pelizza < francesco.peli...@strath.ac.uk> wrote: > Hi Dear community, > > > I have a question...Since the qe 6.0 release i started to use it, and I > noticed a slow down for systems up to 48 atoms / 100 electrons running > on few cores, and a speed up running upon more cores. > > I other words, taking as example an insulator polymer, set in its > lattice with 96 electrons: > > using qe 5.4 on 8 threads takes 25-35% less time than qe 6.0 > > that's generally true from scf, to vc-relax to bands and phonon or > whatever calculations > > if I scale on servers or HPC I do not see slow down, and perhaps the qe > 6.0 is in the average 10-15% faster. > > > Was it expected to be so? > > Something changed in the way the system is fragmented across threads? > > > BW > > Francesco Pelizza > > Strathclyde University > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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