[Wien] Compiling error

[Michael Fechtelkord]

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   
> $MKLROOT/lib/intel64"  ?
>    All the best,
>              Luis
>
> Em qua., 14 de mai. de 2025 às 19:47, delamora <delamora at unam.mx> 
> escreveu:
>
>     Dear WIEN2k community
>     I am trying to compile the "elpa" but I get this message
>
>     ./configure FC=mpiifx CC=mpiicx
>     SCALAPACK_LDFLAGS="-L$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:Michael.Fechtelkord at ruhr-uni-bochum.de
Web Page:https://www.ruhr-uni-bochum.de/kristallographie/kc/mitarbeiter/fechtelkord/
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