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<p>The example you showed us, was a k-parallel job on only one node.</p>
<p>To fix this, just set USE_REMOTE to zero (either in $WIENROOT
permanently, or temporarily in your submitted job script.</p>
<p><br>
</p>
<p>Another test would be to make a new wien2k-installation using
"ifort+slurm" in siteconfig. It may work out of the box, in
particular when using mpi-parallel. It uses srun, but I'm not
sure if all slum-configurations are identical to your cluster. <br>
</p>
<p><br>
</p>
<div class="moz-cite-prefix">Am 21.06.2023 um 22:58 schrieb Ilias
Miroslav, doc. RNDr., PhD.:<br>
</div>
<blockquote type="cite"
cite="mid:AM0PR0702MB35556E149B6C0FACCE542F56F75DA@AM0PR0702MB3555.eurprd07.prod.outlook.com">
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Dear all,</div>
<div style="font-family: Calibri, Arial, Helvetica, sans-serif;
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<br>
</div>
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ad: <a
href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg22588.html"
id="LPlnk714946" moz-do-not-send="true"
class="moz-txt-link-freetext">
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg22588.html</a>
<br>
</div>
<div style="font-family: Calibri, Arial, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof
ContentPasted0">
" <tt class="ContentPasted1">In order to use multiple nodes,
you need to be able to do passwordless
</tt><tt class="ContentPasted1">ssh to the allocated nodes (or
any other command substituting ssh).
</tt>"</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>
</div>
<div style="font-family: Calibri, Arial, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof
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According to our cluster admin, <font size="2">one <span
style="font-size:10pt" class="ContentPasted2"> can use
(maybe) 'srun' to allocate and connect to a batch node.</span></font>
<a
href="https://hpc.gsi.de/virgo/slurm/resource_allocation.html"
id="LPlnk528885" moz-do-not-send="true"
class="moz-txt-link-freetext">
https://hpc.gsi.de/virgo/slurm/resource_allocation.html</a></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>
</div>
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font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof
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Would it possible to use "srun" within Wien2k scripts to run
parallel jobs please ? We are using common disk space on that
cluster.<br>
</div>
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font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof
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<br>
</div>
<div style="font-family: Calibri, Arial, Helvetica, sans-serif;
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Best, Miro<br>
</div>
<br>
<fieldset class="moz-mime-attachment-header"></fieldset>
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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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