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<p><font face="Times New Roman">You might have a look at the "WIEN2k-notes
of the University of Texas" document (slide 7) at:</font></p>
<p><font face="Times New Roman"><a class="moz-txt-link-freetext" href="http://susi.theochem.tuwien.ac.at/reg_user/faq/pbs.html">http://susi.theochem.tuwien.ac.at/reg_user/faq/pbs.html</a></font></p>
<p>The line:<br>
</p>
<p>echo -n 'lapw0:' > .machines<br>
</p>
<p>It looks like that writes to the .machines file:</p>
<p>lapw0:</p>
<p>However, you need to have it write the "machine names" after it.
So something like:</p>
<p>lapw0:gamma:2 delta:2 epsilon:4<br>
</p>
<p>However, you are having it write:</p>
<p>lapw0:granularity:1</p>
<p>Thus, the error about it not being able to find and connect to a
hostname called "granularity".<br>
</p>
<div class="moz-cite-prefix">On 9/8/2017 2:41 AM, Subrata Jana
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CAC0FrWg2RCgYd4zdzmz43t+RQKkyC6f1mwX=LjD-OdXgVEsfvg@mail.gmail.com">
<div dir="ltr">
<div>Hi Gavin Abo,</div>
<div>It looks I am facing the same problem. </div>
<div><br>
</div>
<div>##############################</div>
<div><br>
</div>
<div>
<div>#!/bin/bash</div>
<div>#PBS -N wien2k</div>
<div>#PBS -o out.log</div>
<div>#PBS -j oe</div>
<div>#PBS -l nodes=1:ppn=1</div>
<div><br>
</div>
<div># Load Intel environment</div>
<div>source
/apps/intel_2016_u2/compilers_and_libraries_2016.2.181/linux/bin/compilervars.sh
intel64</div>
<div>export OMP_NUM_THREADS=1</div>
<div>cd /home/sjana/WIEN2k/PBE/C_pbe</div>
<div>rm -f .machines</div>
<div><br>
</div>
<div>#source
/apps/intel_2016_u2/compilers_and_libraries_2016.2.181/linux/bin/compilervars.sh
intel64</div>
<div><br>
</div>
<div>cd /home/sjana/WIEN2k/PBE/C_pbe</div>
<div>rm -f .machines</div>
<div>echo '#' > .machines</div>
<div>echo -n 'lapw0:' > .machines</div>
<div>echo 'granularity:1' >>.machines</div>
<div>#awk '{print "1:"$1":1"}' $PBS_NODEFILE >>.machines</div>
<div>awk '{print "1:"$1":1"}' "$PBS_NODEFILE"
>>.machines</div>
<div>echo 'extrafine:1' >>.machines</div>
<div>#/home/sjana/WIEN2k_14.2/run_lapw -p -i 40 -ec .0001 -I</div>
<div>run_lapw -p -i 40 -ec .0001 -I</div>
</div>
<div>#############################################</div>
<div><br>
</div>
<div>My .machines file looks like</div>
<div><br>
</div>
<div><br>
</div>
<div>lapw0:granularity:1</div>
<div>1:r8n3:1</div>
<div>extrafine:1</div>
<div><br>
</div>
<div><br>
</div>
<div>out.log</div>
<div><br>
</div>
<div>
<div>ssh: Could not resolve hostname granularity: Name or
service not known^M</div>
<div><br>
</div>
<div>> stop error</div>
</div>
<div><br>
</div>
<div>Regards,</div>
<div>S. Jana</div>
</div>
</blockquote>
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