[Wien] Elpa 2025

[Fecher, Gerhard]

Dear Laurence 
I compiled ELPA 2025.01.001 without problems using the OneAPI 2025.1.0

what is your problem ? 
is it ifort or icc ? too old compilers ?
(Note my programms run partially much faster when using the latest ifx/icx compared to older 2021 or 22 OneAPI versions,
therefore I did not install the old stuff on new computers anymore)

If I use --enable-omp without specifying -qopenmp in the configuration, 
the the icx compiler complains that one should use -qopenmp instead of -fopenmp.
Obviously the configure script does not distinguish wether one uses icx or a different compiler (in old icc versions it was -openmp instead of -qopenmp !).
However, none of the ELPA checks fails.

The complains (warnings) of the icx about -qopenmp vanish in the following configuration,
where the checks also run without problems:
./configure --prefix=$HOME/lib/elpa-intel \
CC=mpiicx CXX=mpiicpx CFLAGS="-O3 -xCORE-AVX512 -qopenmp"  \
FC=mpiifx FCFLAGS="-O3 -xCORE-AVX512 -fp-model=precise -qopenmp" \
SCALAPACK_FCFLAGS="-I${MKLROOT}/include" \
SCALAPACK_LDFLAGS="-L${MKLROOT}/lib -lmkl_scalapack_lp64 \
-lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lmkl_blacs_intelmpi_lp64 -liomp5 -lpthread -lm -ldl \
-Wl,-rpath,${MKLROOT}/lib" \
--enable-option-checking=fatal --with-mpi=yes --enable-openmp \
--disable-c-tests --disable-cpp-tests \
--enable-avx2 --enable-avx512-kernels

My problem is how to make the fastest ELPA library on systems with AMD EPYC processors (usually -xCORE... fails on AMD's),
the configure script for icx does not recognice the processor and that it has the AVX512 extensions
indeed, Intel is not interested in support of AMD processors,
does someone know about the GNU support for AVX512 on AMD's, is it well implemented in gcc ?

Ciao
Gerhard

DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."

====================================
Dr. Gerhard H. Fecher
Institut of Physics
Johannes Gutenberg - University
55099 Mainz
________________________________________
Von: Wien [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von Laurence Marks [laurence.marks at gmail.com]
Gesendet: Freitag, 25. April 2025 22:59
An: A Mailing list for WIEN2k users
Betreff: [Wien] Elpa 2025

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