Dear Lorenzo and Paolo Sorry if I was not clear. I didn't know about the only hybrid calculation. This means my test is useless. Since I will use on hybrid I would like to check if my approach is correct of it I am doing something wrong.
What I was trying to say is that I run a gamma point calculation with 272 orbitals. I run 3 tests using 272 cores no band parallelisation Parallel version (MPI & OpenMP), running on 272 processor cores Number of MPI processes: 272 Threads/MPI process: 1 R & G space division: proc/nbgrp/npool/nimage = 272 time for scf 2 cycles total cpu time spent up to now is 11.8 secs total cpu time spent up to now is 22.0 secs total cpu time spent up to now is 28.0 secs 544 cores using band parallelisation and Parallel version (MPI & OpenMP), running on 544 processor cores Number of MPI processes: 544 Threads/MPI process: 1 band groups division: nbgrp = 2 R & G space division: proc/nbgrp/npool/nimage = 272 time for scf 2 cycles total cpu time spent up to now is 15.1 secs total cpu time spent up to now is 27.3 secs total cpu time spent up to now is 33.9 secs 816 cores with Parallel version (MPI & OpenMP), running on 816 processor cores Number of MPI processes: 816 Threads/MPI process: 1 band groups division: nbgrp = 3 R & G space division: proc/nbgrp/npool/nimage = 272 time for 2 scf cycles total cpu time spent up to now is 20.5 secs total cpu time spent up to now is 30.4 secs total cpu time spent up to now is 36.5 secs is the principle correct or it should be done in another way? Many thanks Davide _______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum