[Pw_forum] band parallelization
Tiana Davide
davide.tiana at epfl.ch
Tue Sep 22 12:42:13 CEST 2015
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
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