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<p>When elpa is installed, it needs an extra flag --enable-openmp</p>
<p>Otherwise multiple threads are not supported.</p>
<p><br>
</p>
<p>In the tar ball of elpa is a file INSTALL.md which
explains clearly how to configure, compile and install elpa.</p>
<p><br>
</p>
<p>---------------------------</p>
<p>Anyway, if you do not have a threaded elpa version, set
OMP_NUM_THREADS to one and use 2x mpi parallelization. <br>
</p>
<p>Depending on your hardware (network,...) it may be a little
slower or not, but only tests can tell you this for sure.</p>
<p><br>
</p>
<p><br>
</p>
<div class="moz-cite-prefix">Am 04.07.2023 um 16:33 schrieb Ilias,
Miroslav:<br>
</div>
<blockquote type="cite"
cite="mid:237b0592c1944f9fb3675e31dbb08c7d@gsi.de">
<meta http-equiv="Content-Type" content="text/html; charset=UTF-8">
<style type="text/css" style="display:none;">P {margin-top:0;margin-bottom:0;}</style>
<div id="divtagdefaultwrapper" dir="ltr" style="font-size: 12pt;
color: rgb(0, 0, 0); font-family: Calibri, Helvetica,
sans-serif, "EmojiFont", "Apple Color
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EmojiSymbols;">
<p>Dear Professor Marks,</p>
<p><br>
</p>
<p>concerning <a
href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg22621.html"
class="OWAAutoLink moz-txt-link-freetext"
moz-do-not-send="true">
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg22621.html</a> :
<br>
</p>
<p><br>
</p>
<p>I am trying to find out why is ELPA module complaining of
missing <span style="font-family:monospace"><span
style="color:#000000;background-color:#ffffff;">MPI_THREAD_MULTIPLE</span>
.</span></p>
<p><span style="font-family:monospace"><br>
</span></p>
<p><span style="font-family:monospace">We have a debate on this
<span style="font-family:monospace">
<a
href="https://git.gsi.de/SDEGroup/SIR/-/issues/85#note_55392"
class="OWAAutoLink moz-txt-link-freetext"
moz-do-not-send="true">https://git.gsi.de/SDEGroup/SIR/-/issues/85#note_55392</a></span></span></p>
<p><span style="font-family:monospace"><span
style="font-family:monospace"><br>
</span></span></p>
<p><span style="font-family:monospace"><span
style="font-family:monospace">If you somebody could
comment on this topic as I would like to investigate
deeply. Can somebody advice me a short ELPA testing
program for this ?</span></span></p>
<p><span style="font-family:monospace"><span
style="font-family:monospace"><br>
</span></span></p>
<p><span style="font-family:monospace"><span
style="font-family:monospace">Best, Miro<br>
</span></span></p>
<p><span style="font-family:monospace"><br>
</span></p>
<p><span style="font-family:monospace"><br>
</span></p>
<p><span style="font-family:monospace"><br>
</span> <br>
</p>
<p><br>
</p>
<p><br>
</p>
<p><br>
</p>
</div>
<br>
<fieldset class="moz-mime-attachment-header"></fieldset>
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