[Wien] Elpa 2025

[Laurence Marks]

Dear Michael,

Slightly buried with revising a review + some confusing mixer testing, so a
slow response. I recompiled elpa 2025.001 with ifort+qopenmp and the result
was the same. Then I went to 2025.002 and that worked. Hence the bug that
they mention they cured (without enough details IMHO) was relevant to
Wien2k.

For reference, these are cases with omp_lapw1:2 (or 4) and 1:nodeA:4 as an
example. In some cases 2-4 omp + mpi is faster than just mpi on my local
supercomputer. More critical, there is a huge memory savings as somewhere
we have a lot of memory overhead.



On Sat, Apr 26, 2025 at 4:09 AM Michael Fechtelkord <
Michael.Fechtelkord at ruhr-uni-bochum.de> wrote:

> Dear Laurence,
>
>
> they released a new version of ELPA (2025.01.002) in the GIT repository a
> couple of days ago.
>
>
> https://gitlab.mpcdf.mpg.de/elpa/elpa
>
> Changelog as follows:
>
> Changelog for ELPA 2025.01.002- fixes a performance degradation in solve_tridi in the CPU version- allows to switch NCCL/RCCL usage off, even if compiled with this  support
>
> Best regards,
>
> Michael
>
>
> Am 25.04.2025 um 22:59 schrieb Laurence Marks:
>
> Has anyone got the 2025 version of elpa running in hybrid mode
> (--enable-openmp and -qopenmp) with ifort/icc? 2024.05.001 seems to be
> fine, but with 2025.01.001 the omp does not work for me in hybrid mode.
> (ifort 2021.1.1 as I know it is stable).
>
>
> --
> Emeritus Professor Laurence Marks (Laurie)
> Northwestern University
> Webpage <http://www.numis.northwestern.edu> and Google Scholar link
> <http://scholar.google.com/citations?user=zmHhI9gAAAAJ&hl=en>
> "Research is to see what everybody else has seen, and to think what nobody
> else has thought", Albert Szent-Györgyi
>
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> --
> Dr. Michael Fechtelkord
>
> Institut für Geologie, Mineralogie und Geophysik
> Ruhr-Universität Bochum
> Universitätsstr. 150
> D-44780 Bochum
>
> Phone: +49 (234) 32-24380
> Fax:  +49 (234) 32-04380
> Email: Michael.Fechtelkord at ruhr-uni-bochum.de
> Web Page: https://www.ruhr-uni-bochum.de/kristallographie/kc/mitarbeiter/fechtelkord/
>
>

-- 
Emeritus Professor Laurence Marks (Laurie)
Northwestern University
Webpage <http://www.numis.northwestern.edu> and Google Scholar link
<http://scholar.google.com/citations?user=zmHhI9gAAAAJ&hl=en>
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Györgyi
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