[Wien] Compiling error

[Michael Fechtelkord]

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   
>> $MKLROOT/lib/intel64"  ?
>>    All the best,
>>              Luis
>>
>> Em qua., 14 de mai. de 2025 às 19:47, delamora <delamora at unam.mx> 
>> escreveu:
>>
>>     Dear WIEN2k community
>>     I am trying to compile the "elpa" but I get this message
>>
>>     ./configure FC=mpiifx CC=mpiicx
>>     SCALAPACK_LDFLAGS="-L$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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>>
>>
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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/
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/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:Michael.Fechtelkord at ruhr-uni-bochum.de
Web Page:https://www.ruhr-uni-bochum.de/kristallographie/kc/mitarbeiter/fechtelkord/
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