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<div class="moz-cite-prefix">Before you ran the job file, did you
create case.inop from the templates:<br>
<br>
cp $WIENROOT/SRC_templates/case.inop X.inop<br>
<br>
and edit it in a text editor (like nano):<br>
<br>
nano X.inop<br>
<br>
where X is the name you used for your calculation.<br>
<br>
Maybe "x lapw2 -qtl" crashed in an earlier calculation such that
QTL did not get changed back to TOT [
<a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg10508.html">http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg10508.html</a>
]. In WIEN2k versions older than 14.2, it could also happen due
to a bug [
<a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg11165.html">http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg11165.html</a>
].<br>
<br>
On 2/18/2016 12:56 PM, Dr. K. C. Bhamu wrote:<br>
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<div>Two more issue:<br>
<br>
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I did not find case.inop file while x lapw2 -fermi -p was
ran successfully.<br>
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in case.in2 TOT was automatically changed to QTL.<br>
<br>
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regards<br>
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Bhamu<br>
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<b><span style="color:rgb(0,0,255)"></span></b></div>
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<div class="gmail_quote">On Thu, Feb 18, 2016 at 10:07 PM, Dr.
K. C. Bhamu <span dir="ltr"><<a moz-do-not-send="true"
href="mailto:kcbhamu85@gmail.com" target="_blank">kcbhamu85@gmail.com</a>></span>
wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">
<p dir="ltr">Yes, x lapw1 -p -band<br>
X lapw2 -band -qtl -p ran successfully.</p>
<p dir="ltr">Regards <br>
Bhamu<br>
</p>
<div class="gmail_quote">On 18-Feb-2016 10:01 pm, "Elias
Assmann" <<a moz-do-not-send="true"
href="mailto:elias.assmann@gmail.com" target="_blank">elias.assmann@gmail.com</a>>
wrote:<br type="attribution">
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">On
02/18/2016 04:31 PM, Dr. K. C. Bhamu wrote:<br>
> [1] 1371<br>
> ssh: connect to host nid01855 port 204:
Connection refused^M<br>
<br>
This is the relevant message, I think.<br>
<br>
Two guesses what could be happening:<br>
<br>
1. You have not set up the passwordless ssh login
that k-parallel<br>
Wien2k requires (try the command ‘ssh-copy-id’).<br>
<br>
2. You are on a cluster that permits ssh only to
nodes that are<br>
allocated to your job but you are trying to connect to
other nodes (e.g.<br>
due to a stale ‘.machines’).<br>
<br>
Actually, my guess is no. 2 since no. 1 should show a
password prompt<br>
instead. Do any k-parallel jobs work?<br>
<br>
<br>
Elias<br>
<br>
<span class="HOEnZb"><font color="#888888">
<br>
--<br>
Elias Assmann<br>
Institute of Theoretical and Computational Physics<br>
TU Graz ⟨<a
moz-do-not-send="true"
href="https://itp.tugraz.at/" rel="noreferrer"
target="_blank"><a class="moz-txt-link-freetext" href="https://itp.tugraz.at/">https://itp.tugraz.at/</a></a>⟩<br>
</font></span></blockquote>
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