[Wien] WARNING elpa_setup during lapw1_mpi

[Ilias, Miroslav]

Hello,


sorry for hidden link;


the point is that  the "ompi_info -a | grep THREAD" says MPI_THREAD_MULTIPLE: yes,


but  "spack info openmpi at 4.1.5" gives "thread_multiple [off] [@1.5.4:2] on, off Enable MPI_THREAD_MULTIPLE support"


Maybe this is the case of the ELPA  "WARNING elpa_setup: MPI threading level MPI_THREAD_SERALIZED or MPI_THREAD_MULTIPLE required but your implementation does not support this! The number of OpenMP threads within ELPA will be limited to 1"

I will investigate it deeper, as I need Wien2k parallel as fast as possible.

Intel MPI will come later, again, I need ELPA built with Intel. I guess that IntelMPI+MKL  Wien2k is faster than OpenMPI+Openblas ?

Best, Miro

________________________________
From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of Laurence Marks <laurence.marks at gmail.com>
Sent: 04 July 2023 18:02
To: A Mailing list for WIEN2k users
Subject: Re: [Wien] WARNING elpa_setup during lapw1_mpi

That is a private site, do I cannot read anything.

All I can suggest is doing a Google search on "missing  MPI_THREAD_MULTIPLE". It looks as if you have to enable this in openmpi configure, although there might be some bugs. There could also be some environmental parameters that need to be set.

Or use Intel mpi. While it does not have everything that some sysadmin want, if you are using mkl & ifort (both free) it integrates trivially. I personally dislike openmpi as it keeps changing and is not always user friendly.

--
Professor Laurence Marks (Laurie)
Department of Materials Science and Engineering, Northwestern University
www.numis.northwestern.edu<http://www.numis.northwestern.edu>
"Research is to see what everybody else has seen, and to think what nobody else has thought" Albert Szent-Györgyi

On Tue, Jul 4, 2023, 09:33 Ilias, Miroslav <M.Ilias at gsi.de<mailto:M.Ilias at gsi.de>> wrote:

Dear Professor Marks,


concerning 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


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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