it could also help to run "autoreconf -vif" in the ELPA root directory
before running configure
Am 15.05.2025 um 11:57 schrieb Michael Fechtelkord via Wien:
Hello everybody,
I recommend to follow the ELPA install guide for Intel CPUs at:
https://gitlab.mpcdf.mpg.de/elpa/elpa/-/blob/master/documentation/INSTALL.md
I tried configuring ELPA with " -rpath,$MKLROOT/lib/intel64" -
(Section 2.4 of ELPA Installation Guide) there was no error et all
during the configure script. I use also ifx and icx version 2025.1
Flags are:
FCFLAGS="-O3 -xAVX2 -qopenmp" CFLAGS="-O3 -xAVX2 -qopenmp"
--enable-option-checking=fatal \
SCALAPACK_LDFLAGS="-L$MKLROOT/lib/intel64 -lmkl_scalapack_lp64
-lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64
-lpthread -lm -Wl,-rpath,$MKLROOT/lib/intel64" \
SCALAPACK_FCFLAGS="-L$MKLROOT/lib/intel64 -lmkl_scalapack_lp64
-lmkl_intel_lp64 -lmkl_sequential \
-lmkl_core -lmkl_blacs_intelmpi_lp64 -lpthread -lm
-I$MKLROOT/include/intel64/lp64"
and use the appropriate flags described in Section 2.7, which would be
for icx and ifx with a CPU supporting AVX2:
FCFLAGS="-O3 -xAVX2 -qopenmp" CFLAGS="-O3 -xAVX2 -qopenmp"
--enable-option-checking=fatal \
SCALAPACK_LDFLAGS="-L$MKLROOT/lib/intel64 -lmkl_scalapack_lp64
-lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64
-lpthread " \
SCALAPACK_FCFLAGS="-I$MKLROOT/include/intel64/lp64"
Best regards,
Michael
Am 15.05.2025 um 10:32 schrieb Luis Ogando:
Hi,
I am not an expert, but is there a comma between -rpath and
$MKLROOT/lib/intel64" ?
All the best,
Luis
Em qua., 14 de mai. de 2025 às 19:47, delamora <[email protected]>
escreveu:
Dear WIEN2k community
I am trying to compile the "elpa" but I get this message
./configure FC=mpiifx CC=mpiicx
SCALAPACK_LDFLAGS="-L$MKLROOT/lib/intel64 -lmkl_scalapack_lp64
-lmkl_intel_lp64 -lmkl_sequential -lmkl_core
-lmkl_blacs_intelmpi_lp64 -lpthread -lm -ldl -liomp5 -lm -Wl,
-rpath,$MKLROOT/lib/intel64"
SCALAPACK_FC_FLAGS="-L$MKLROOT/lib/intel64 -lmkl_scalapack_lp64
-lmkl_intel_lp64 -lmkl_sequential -lmkl_core
-lmkl_blacs_intelmpi_lp64 -lpthread -lm
-I$MKLROOT/include/intel64/lp64"
--prefix=/home/pablo/Documentos/Soporte/Software/elpa FCFLAGS=-O3
CFLAGS="-O3 -mfma -funsafe-math-optimizations -ftree-vectorize"
LIBS=" -lmpi -lmpifort" --disable-avx512
after configure I tried make command, and this is the outcome;
icx: error: unknown argument:
'-rpath,/opt/intel/oneapi/mkl/2025.1/lib/intel64'
the linux is Ubuntu 25
Pablo
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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:[email protected]
Web
Page:https://www.ruhr-uni-bochum.de/kristallographie/kc/mitarbeiter/fechtelkord/
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at:http://www.mail-archive.com/[email protected]/index.html
--
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:[email protected]
Web
Page:https://www.ruhr-uni-bochum.de/kristallographie/kc/mitarbeiter/fechtelkord/
_______________________________________________
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[email protected]
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
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http://www.mail-archive.com/[email protected]/index.html
