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<p>As far as I know, you cannot mix libraries compiled with ifort or
with GNU compilers. At least in previous times, the objects would
have one or 2 "_" in their reference and it would not fit
together.</p>
<p>Maybe there are some options to fix this, but I do not know.</p>
<p><br>
</p>
<p>My recommendations is therefore: choose either Intel or GNU
compilers.</p>
<p><br>
</p>
<p>For Intel you have to compile FFTW3 and ELPA yourself (see also
the instructions in the UG, these are always only 3 commands and
it is not so difficult) and can use the mkl for the rest.</p>
<p><br>
</p>
<p>For GNU you can use the Openblas and the corresponding Linux
packages (if they exist) or you compile yourself with GNU. I don't
know (but doubt) if you can link the mkl-blas,... with GNU, but
you don't need mkl, because openblas is (almost) as good as mkl
and "GNU-scalapack" comes with Linux. <br>
</p>
<p><br>
</p>
<p>When using Intel, you can use either Intelmpi or Openmpi, but the
name of the mkl blacks-library is different for the 2 mpi
versions.</p>
<p><br>
</p>
<p><br>
</p>
<div class="moz-cite-prefix">Am 05.06.2023 um 10:45 schrieb Ilias
Miroslav, doc. RNDr., PhD.:<br>
</div>
<blockquote type="cite"
cite="mid:VI1PR0702MB35661214E1499BC60C47B194F74DA@VI1PR0702MB3566.eurprd07.prod.outlook.com">
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Dear Professor Blaha, <br>
</div>
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<br>
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<div style="font-family: Calibri, Arial, Helvetica, sans-serif;
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thanks for your answer. So to get Wien2k compiled with intel
compilers, one needs FFTW3 and ELPA compiled with Intel
compilers.</div>
<div style="font-family: Calibri, Arial, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof
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<br>
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Now the question is : if I use OpenMPI with FFTW3 and ELPA
libraries compiled with GNU compilers, will the MKL libraries -
blas,lapack, plus scalapack and blacs work, right ?</div>
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<br>
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Best, Miro<br>
</div>
<br>
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<pre class="moz-signature" cols="72">--
-----------------------------------------------------------------------
Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-158801165300
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