[QE-users] Correct QE build for Windows using OpenMP

Husak Michal Michal.Husak at vscht.cz
Wed Jan 26 22:50:52 CET 2022


Hi


I am trying to build qe 7 for windows and to use OpenMP parallelization.

I use cygwin64 and gpfortran ...


>From the manual I understand OpenMP builds should be done by

configure --enable-openmp    --disable-parallel


This will enable OpenMP and disable MPI parallelization , correct ?


I have an old binary of QE 6.4.1. made by others witch state in the  header:


  Parallel version (MPI & OpenMP), running on       4 processor cores
     Number of MPI processes:                 1
     Threads/MPI process:                     4

     MPI processes distributed on     1 nodes


And it run very fast utilizing really 4 cores ...


My QE 7 build reports:

  Serial multi-threaded version, running on    4 processor cores
     0 MiB available memory on the printing compute node when the environment starts

And it runs very slow (more than 8x than the 6.4.1 build ) ...

Why QE 7 does not report OpenMP usage in the header ?
Does anybody have experiences with making a good Windows QE build
utilizing OpenMP ?

Michal Husak
UCT Prague








More information about the users mailing list