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<p><font face="Times New Roman">1. It looks like you are using
WIEN2k 17.1. Some serious bugs were found in that 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> ]. Consider
installing and using WIEN2k 18.2 which has the fixes to it.
Also, WIEN2k 18.2 can be patched according to previous mailing
list posts [
<a class="moz-txt-link-freetext" href="https://github.com/gsabo/WIEN2k-Patches/tree/master/18.2">https://github.com/gsabo/WIEN2k-Patches/tree/master/18.2</a> ].<br>
</font></p>
<p>2. Regarding your "file LAO.vspup is missing, i think it
automatically generated during parallel lapw2", the case.vspup
file should have been generated by lapw0. See Table 4.3 on page
36 of the WIEN2k 18.2 usersguide [
<a class="moz-txt-link-freetext" href="http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf">http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf</a>
] where it has program LAPW0 generates necessary case.vsp(up/dn).</p>
<p>3. I suggest you investigate why the LAO.vspup "can't open unit:
18" error happens with lapw2 but not with lapw1. For example, did
<span>LAO.vspup exist with a non-zero file size after lapw0
completed, did it exist with a non-zero file size for lapw1, and
did it get deleted or become zero in file size or loose node
connection(s) just before lapw2?</span></p>
<p><span>Is your .machines setup to run k-point parallel, mpi
parallel, or a mix of both? It looks like the job script that
creates the .machines on the fly was not provided that shows
that.<br>
</span></p>
<p>If mpi parallel, using WIEN2k 18.2:</p>
<p>1. Run: ./siteconfig<br>
2. Select Compiling Options, Selection: O<br>
3. Select Parallel options, Selection: PO<br>
4. What is MPIRUN set to?<br>
</p>
<p>You also might check your mpirun command and talk with your
cluster administrator to see if a supported mpi run command is
being used for the system [
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17628.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17628.html</a>
].</p>
<p>Have you checked the standard output/error file? This file name
can vary from one system to another. So you have to check your
scheduling/queue system documentation to see what the default
file(s) is called or use an option to name it yourself [ for
example,
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18080.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18080.html</a>
]. If there is a mpi run error, it usually shows up in that file.</p>
<p>You also might have to check the hidden dot files [
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17317.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17317.html</a>
] and output files (like case.output0, case.output1, etc.).<br>
</p>
<p><br>
</p>
<div class="moz-cite-prefix">On 10/20/2018 1:58 AM, BUSHRA SABIR
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:638379454.534837.1540022308489@mail.yahoo.com">
<meta http-equiv="content-type" content="text/html; charset=UTF-8">
<div class="ydp6f68bc8dyahoo-style-wrap"
style="font-family:Helvetica Neue, Helvetica, Arial,
sans-serif;font-size:16px;">
<div id="ydp6f68bc8dyiv0529548225">
<div>
<div
class="ydp6f68bc8dyiv0529548225ydp2f991150yahoo-style-wrap"
style="font-family:Helvetica Neue, Helvetica, Arial,
sans-serif;font-size:16px;">
<div>
<div>Dear Peter Blaha and wien2k users</div>
<div><br>
</div>
<div>I am facing one problem in parallel execution of
job script. I am working on LaXO3 materials.
initialization is ok but when i submitted job file on
cluster for parallel execution with command line
runsp_lapw -cc 0.001 -ec 0.0001 -i 40 -p . <br>
</div>
<div><br>
</div>
<div>following error apears.cat *.error<br>
</div>
<div><br>
</div>
<div><span>'LAPW2' - can't open unit:
18 <br>
'LAPW2' - filename:
LAO.vspup <br>
'LAPW2' - status: old form:
formatted <br>
</span>
<div><span>** testerror: Error in Parallel LAPW2<br>
</span></div>
<div><span><br>
</span></div>
<div><span>file LAO.vspup is missing, i think it
automatically generated during parallel lapw2 <br>
</span></div>
<div>
<div><br>
</div>
<div>i checked testpara1_lapw</div>
<div><span>#####################################################<br>
#
TESTPARA1 #<br>
#####################################################<br>
<br>
Sat Oct 20 00:22:39 PDT 2018<br>
<br>
</span>
<div><span> lapw1para has finished</span></div>
<div><span></span><br>
</div>
<div> for testpara2_lapw</div>
<div><span>#####################################################<br>
#
TESTPARA1 #<br>
#####################################################<br>
<br>
Sat Oct 20 00:22:39 PDT 2018<br>
<br>
lapw1para has finished<br>
<br>
</span>
<div>At the end of day file following error is
shown</div>
<div><br>
</div>
</div>
<span><span>0.088u 0.060s 0:05.14 2.7% 0+0k
0+288io 0pf+0w<br>
> lapw2 -up -p (23:56:15)
running LAPW2 in parallel mode<br>
** LAPW2 crashed!<br>
0.048u 0.312s 0:00.72 48.6% 0+0k 11386+96io
36pf+0w<br>
error: command
/global/common/sw/cray/cnl6/haswell/wien2k/17.1/intel/17.0.2.174/wkteycp/lapw2para
-up uplapw2.def failed<br>
<br>
</span></span>
<div><span>i go through mailing list but could not
find solution.</span></div>
<div><span></span><br>
</div>
<div><br>
</div>
<div>Bushra</div>
<div>PhD student</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</blockquote>
<blockquote type="cite"
cite="mid:638379454.534837.1540022308489@mail.yahoo.com">
</blockquote>
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