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<p>Is there any traceback in the standard output to the terminal or
to the standard output file (if using a queue system)?</p>
<p>In other words a message similar to the "forrtl: severe (24):
end-of-file during read, unit 30" in the post at [
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15535.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15535.html</a>
].<br>
</p>
<p>Still seems like there isn't enough information to tell what the
cause of it is.</p>
<p>Might be from the compiler used to compile WIEN2k. There were
many I/O issues encountered by users that used the Intel 2016,
2017 and 2018 versions [
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17023.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17023.html</a>
].</p>
<p>It might also be due to one of the many spin orbit bugs that were
found and fixed since the WIEN2k 17.1 version [
<a class="moz-txt-link-freetext" href="http://susi.theochem.tuwien.ac.at/reg_user/updates/">http://susi.theochem.tuwien.ac.at/reg_user/updates/</a> ,
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19074.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19074.html</a>
], but you would need to try the same calculation from the
beginning using the latest WIEN2k version to see if fixes the
problem or not.<br>
</p>
<p>Another possibility might be that the node ran out of memory due
to the known memory leak [
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19050.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19050.html</a>
,
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18798.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18798.html</a>
].<br>
</p>
<p>There are other possibilities such as network or disk space
issues [
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15536.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15536.html</a>
].<br>
</p>
<div class="moz-cite-prefix">On 10/3/2019 5:16 AM, Paresh Rout
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CAHPi6+p=PwEuRMZGebfv5MWRSfeVQTS65k-43mU+cH795vyK8g@mail.gmail.com">
<meta http-equiv="content-type" content="text/html; charset=UTF-8">
<div dir="ltr">Dear Prof. Marks:
<div><br>
</div>
<div>Thank you for your reply. Unfortunately, I did not receive
your email but found your reply in wien archive.</div>
<div><br>
</div>
<div>After doing cat *error. I found the following error message</div>
<div> 'LAPW2' - can't open unit: 30
<br>
'LAPW2' - filename: Lu2NiIrO6.energysoup_21
<br>
** testerror: Error in Parallel LAPW2<br>
</div>
<div>----------------------------------------------------------------</div>
<div>and found that the file <b>Lu2NiIrO6.energysoup_21</b> does
not exist in the working directory. I followed the procedure
i.e first ran GGA+U calculation which successfully ended and
then initialized the SOC interactively (initso_lapw). Please
find case.day file</div>
<div>attached below. Kindly let me know if anything needs to be
done.</div>
<div><br>
</div>
<div><br>
</div>
<div>Best regards,</div>
<div>Paresh</div>
<div><br>
</div>
<div>
<div>
<div dir="ltr" data-smartmail="gmail_signature">
<div dir="ltr">
<div>
<div dir="ltr">
<div dir="ltr"><br>
</div>
<div dir="ltr"><br>
</div>
<div dir="ltr"><br>
</div>
<div dir="ltr"><br>
<div>Paresh Chandra Rout</div>
<div>Postdoctoral Researcher</div>
<div>King Abdullah University of Science and
Technology (KAUST)<br>
</div>
<div>
<div>Thuwal 23955-6900</div>
<div>Kingdom of Saudi Arabia<br>
</div>
<div>Mobile: +966 565671754</div>
<div>Email address: <a
href="mailto:paresh.rout@kaust.edu.sa"
target="_blank" moz-do-not-send="true">paresh.rout@kaust.edu.sa</a></div>
</div>
<div>3231-WS13<br>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
<br>
</div>
</div>
<br>
<div class="gmail_quote">
<div dir="ltr" class="gmail_attr">On Wed, Oct 2, 2019 at 4:26 PM
Paresh Rout <<a href="mailto:paresh.rout@kaust.edu.sa"
target="_blank" moz-do-not-send="true">paresh.rout@kaust.edu.sa</a>>
wrote:<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 dir="ltr">
<div><br>
</div>
<div>Dear all,</div>
<div>I am doing SOC calculation in wien2k_17. I am getting
some error in between SCF calculation (around 9th or 10th
cycle) as below. </div>
<div><br>
</div>
> lapw2 -up -p -c -so (13:21:14) running LAPW2
in parallel mode<br>
** LAPW2 crashed!<br>
0.100u 0.064s 0:03.96 4.0% 0+0k 422+352io 8pf+0w<br>
error: command
/sw/xc40cle6/wien2k/17.1/cle6.05_intel18.0.1.163/wien2k-17.1/lapw2cpara
-up -c -so uplapw2.def failed<br>
<br>
> stop error
<div><br>
<div>
<div dir="ltr">
<div dir="ltr">
<div>
<div dir="ltr">
<div> Could you please help me out with this? </div>
<div><br>
</div>
<div>Best regards,</div>
<div>Paresh</div>
<div dir="ltr"><br>
</div>
<div dir="ltr"><br>
</div>
<div dir="ltr"><br>
<div>Paresh Chandra Rout</div>
<div>Postdoctoral Researcher</div>
<div>King Abdullah University of Science and
Technology (KAUST)<br>
</div>
<div>
<div>Thuwal 23955-6900</div>
<div>Kingdom of Saudi Arabia<br>
</div>
<div>Mobile: +966 565671754</div>
<div>Email address: <a
href="mailto:paresh.rout@kaust.edu.sa"
target="_blank" moz-do-not-send="true">paresh.rout@kaust.edu.sa</a></div>
</div>
<div>3231-WS13<br>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</blockquote>
</div>
<br>
<div>
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