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<p><font face="Times New Roman">Your .machines file seems okay.</font></p>
<p><font face="Times New Roman"><br>
</font></p>
<p><font face="Times New Roman">The error indicates that LAPW1
failed. Other than that, the error message doesn't look much
more helpful.</font></p>
<p><font face="Times New Roman"><br>
</font></p>
<p><font face="Times New Roman">I'm guessing that is from the
standard output/error file for the job.</font></p>
<p><font face="Times New Roman"><br>
</font></p>
<p><font face="Times New Roman">What about the case.dayfile, *.error
files, or hidden dot files [
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15549.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15549.html</a>
], any additional error messages in them that would help
indicate further why it failed?</font></p>
<p><font face="Times New Roman"><br>
</font></p>
<p><font face="Times New Roman">You can search the mailing list
archive [
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/maillist.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/maillist.html</a>
] for the "orte_base_help_aggregate" or other keywords.<br>
</font></p>
<p><font face="Times New Roman"><br>
</font></p>
<p><font face="Times New Roman">For example, perhaps lapw1_mpi was
compiled with the wrong blacs library:<br>
</font></p>
<p><font face="Times New Roman"><br>
</font></p>
<p><font face="Times New Roman"></font><a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07254.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07254.html</a><br>
</p>
<br>
<div class="moz-cite-prefix">On 10/11/2017 2:27 AM, saqib wrote:<br>
</div>
<blockquote type="cite"
cite="mid:PS1PR0601MB19486BA1C4D553309C8F848AA14A0@PS1PR0601MB1948.apcprd06.prod.outlook.com">
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<div id="divtagdefaultwrapper"
style="font-size:12pt;color:#000000;font-family:Calibri,Helvetica,sans-serif;"
dir="ltr">
<p>Dear WIEN2K users,</p>
<p><br>
</p>
<p>I am currently trying to run a calculation for large organic
molecule on WIEN 14.2. Due to nature of my system, K-point
parallization is useless so I have to use MPI parallization.</p>
<p>I am using following .machines file to run on node 'fermi'
with 4 cores:</p>
<p><br>
</p>
<div>lapw0:fermi:4<br>
1:fermi:4<br>
granularity:1<br>
extrafine:1<br>
<br>
While lapw0 runs without any problem, LAPW1/LAPW2 crashes with
following message:</div>
<div>.</div>
<div>.<br>
</div>
<div>
<div>[fermi:119828] 3 more processes have sent help message
help-mpi-api.txt / mpi-abort<br>
[fermi:119828] Set MCA parameter "orte_base_help_aggregate"
to 0 to see all help / error messages<br>
mptest.scf1_1: No such file or directory.<br>
grep: *scf1*: No such file or directory<br>
FERMI - Error<br>
cp: cannot stat `.in.tmp': No such file or directory<br>
<br>
</div>
The same calculation runs without any problem for a single
core. I will really appreciate if someone can help me resolve
this issue.</div>
<div><br>
</div>
<div>with best regards</div>
<div>Saqib Javaid</div>
<div>UNIST, Korea.<br>
</div>
</div>
</blockquote>
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