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
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 on behalf of
Laurence Marks
*S
le.
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 on behalf of Laurence
Marks
Sent: 04 July 2023 18:02
To: A Mailing list for WIEN2k users
Subject: Re: [W
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.
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
The message states the issue. You are requesting both mpi & omp in lapw1
but either or both your openmpi and elpa have not been compiled for this.
Modules are not a Wien2k issue, you will have to see what versions you have
available, and maybe ask your sysadmin.
It is a warning, lapw1 should
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