When elpa is installed, it needs an extra flag --enable-openmp
Otherwise multiple threads are not supported.
In the tar ball of elpa is a file INSTALL.md which explains
clearly how to configure, compile and install elpa.
---------------------------
Anyway, if you do not have a threaded elpa version, set OMP_NUM_THREADS
to one and use 2x mpi parallelization.
Depending on your hardware (network,...) it may be a little slower or
not, but only tests can tell you this for sure.
Am 04.07.2023 um 16:33 schrieb Ilias, Miroslav:
Dear Professor Marks,
concerning
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg22621.html
<https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg22621.html> :
I am trying to find out why is ELPA module complaining of missing
MPI_THREAD_MULTIPLE .
We have a debate on this
https://git.gsi.de/SDEGroup/SIR/-/issues/85#note_55392
<https://git.gsi.de/SDEGroup/SIR/-/issues/85#note_55392>
If you somebody could comment on this topic as I would like to
investigate deeply. Can somebody advice me a short ELPA testing
program for this ?
Best, Miro
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