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 [email protected] http://pwscf.org/mailman/listinfo/pw_forum
