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<p>Hello everybody,</p>
<p><br>
</p>
<p>I recommend to follow the ELPA install guide for Intel CPUs at:</p>
<p><a class="moz-txt-link-freetext" href="https://gitlab.mpcdf.mpg.de/elpa/elpa/-/blob/master/documentation/INSTALL.md">https://gitlab.mpcdf.mpg.de/elpa/elpa/-/blob/master/documentation/INSTALL.md</a></p>
<p><br>
</p>
<p>I tried configuring ELPA with " -rpath,$MKLROOT/lib/intel64" -
(Section 2.4 of ELPA Installation Guide) there was no error et all
during the configure script. I use also ifx and icx version 2025.1</p>
<p>Flags are:</p>
<p>FCFLAGS="-O3 -xAVX2 -qopenmp" CFLAGS="-O3 -xAVX2 -qopenmp"
--enable-option-checking=fatal \<br>
SCALAPACK_LDFLAGS="-L$MKLROOT/lib/intel64
-lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core
-lmkl_blacs_intelmpi_lp64 -lpthread -lm
-Wl,-rpath,$MKLROOT/lib/intel64" \<br>
SCALAPACK_FCFLAGS="-L$MKLROOT/lib/intel64
-lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_sequential \<br>
-lmkl_core -lmkl_blacs_intelmpi_lp64 -lpthread -lm
-I$MKLROOT/include/intel64/lp64"</p>
<br>
<p><br>
</p>
<p>and use the appropriate flags described in Section 2.7, which
would be for icx and ifx with a CPU supporting AVX2:</p>
<p>FCFLAGS="-O3 -xAVX2 -qopenmp" CFLAGS="-O3 -xAVX2 -qopenmp"
--enable-option-checking=fatal \<br>
SCALAPACK_LDFLAGS="-L$MKLROOT/lib/intel64
-lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core
-lmkl_blacs_intelmpi_lp64 -lpthread " \<br>
SCALAPACK_FCFLAGS="-I$MKLROOT/include/intel64/lp64"</p>
<p>Best regards,</p>
<p>Michael</p>
<p><br>
</p>
<div class="moz-cite-prefix">Am 15.05.2025 um 10:32 schrieb Luis
Ogando:<br>
</div>
<blockquote type="cite"
cite="mid:CANpt3sjdD-SdHu=QHC6ifOYcd+7rXpLcBvuQ3KmPvBAEwfi_pw@mail.gmail.com">
<meta http-equiv="content-type" content="text/html; charset=UTF-8">
<div dir="ltr">
<div>Hi,</div>
<div> I am not an expert, but is there a comma between
-rpath and $MKLROOT/lib/intel64" ?</div>
<div> All the best,</div>
<div> Luis<br>
</div>
</div>
<br>
<div class="gmail_quote gmail_quote_container">
<div dir="ltr" class="gmail_attr">Em qua., 14 de mai. de 2025 às
19:47, delamora <<a href="mailto:delamora@unam.mx"
moz-do-not-send="true" class="moz-txt-link-freetext">delamora@unam.mx</a>>
escreveu:<br>
</div>
<blockquote class="gmail_quote"
style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
<div class="msg-644312603514131373">
<div dir="ltr">
<div
style="font-family:Calibri,sans-serif;font-size:11pt;color:rgb(0,0,0)">
Dear WIEN2k community</div>
<div
style="font-family:Calibri,sans-serif;font-size:11pt;color:rgb(0,0,0)">
I am trying to compile the "elpa" but I get this message</div>
<div
style="font-family:Calibri,sans-serif;font-size:11pt;color:rgb(0,0,0)">
<br>
</div>
<div
style="font-family:Calibri,sans-serif;font-size:11pt;color:rgb(0,0,0)">
./configure FC=mpiifx CC=mpiicx
SCALAPACK_LDFLAGS="-L$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</div>
<div
style="font-family:Calibri,sans-serif;font-size:11pt;color:rgb(0,0,0)">
<br>
</div>
<div
style="font-family:Calibri,sans-serif;font-size:11pt;color:rgb(0,0,0)">
after configure I tried make command, and this is the
outcome;</div>
<div
style="font-family:Calibri,sans-serif;font-size:11pt;color:rgb(0,0,0)">
<br>
</div>
<div
style="font-family:Calibri,sans-serif;font-size:11pt;color:rgb(0,0,0)">
icx: error: unknown argument:
'-rpath,/opt/intel/oneapi/mkl/2025.1/lib/intel64'</div>
<div
style="font-family:Calibri,sans-serif;font-size:11pt;color:rgb(0,0,0)">
<br>
</div>
<div
style="font-family:Calibri,sans-serif;font-size:11pt;color:rgb(0,0,0)">
the linux is Ubuntu 25</div>
<div
style="font-family:Calibri,sans-serif;font-size:11pt;color:rgb(0,0,0)">
<br>
</div>
<div
style="font-family:Calibri,sans-serif;font-size:11pt;color:rgb(0,0,0)">
Pablo</div>
</div>
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<pre class="moz-signature" cols="72">--
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: <a class="moz-txt-link-abbreviated" href="mailto:Michael.Fechtelkord@ruhr-uni-bochum.de">Michael.Fechtelkord@ruhr-uni-bochum.de</a>
Web Page: <a class="moz-txt-link-freetext" href="https://www.ruhr-uni-bochum.de/kristallographie/kc/mitarbeiter/fechtelkord/">https://www.ruhr-uni-bochum.de/kristallographie/kc/mitarbeiter/fechtelkord/</a>
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