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<p>Yu,</p>
<p>In addition to the usersguide [1] describing use of "run_lapw -p"
along with an appropriately set up .machines file, don't forget
about the WIEN2k-notes of the University of Texas [2], the
workshop video on Parallelization [3], and mailing list archive
for previous posts on the topic of mpi parallelization (for
example [4-10] are just a few of the many posts existing in the
archive).<br>
</p>
[1]
<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><br>
[2] <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><br>
[3] <a class="moz-txt-link-freetext" href="http://susi.theochem.tuwien.ac.at/onlineworkshop/">http://susi.theochem.tuwien.ac.at/onlineworkshop/</a><br>
[4]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg08702.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg08702.html</a><br>
[5]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg00985.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg00985.html</a><br>
[6]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18967.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18967.html</a><br>
[7]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg13632.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg13632.html</a><br>
[8]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15984.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15984.html</a><br>
[9]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg05622.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg05622.html</a><br>
[10]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg09334.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg09334.html</a><br>
[11]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17627.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17627.html</a><br>
<p>Kind Regards,</p>
<p>Gavin<br>
</p>
<div class="moz-cite-prefix">On 7/5/2020 9:02 PM, Laurence Marks
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CANkSMZADganGg_y06wgnN4zNO3hkU_XSs265mOFSaFk9VoVtnQ@mail.gmail.com">
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<div dir="auto">
<div>Please carefully read the user guide -- "<span
style="font-family:sans-serif;text-indent:14px">mpirun -np 4
run_lapw" is not how it works.</span><br>
<br>
Also, to use mpi you need scalapack, which you did not
mention. If you only have 4 cores you do not want to use mpi.<br>
<div data-smartmail="gmail_signature">_____<br>
Professor Laurence Marks<br>
"Research is to see what everybody else has seen, and to
think what nobody else has thought", Albert Szent-Gyorgi<br>
<a href="http://www.numis.northwestern.edu"
moz-do-not-send="true">www.numis.northwestern.edu</a></div>
<br>
<div class="gmail_quote">
<div dir="ltr" class="gmail_attr">On Sun, Jul 5, 2020, 21:57
晨晨 <<a href="mailto:chiniku@qq.com"
moz-do-not-send="true">chiniku@qq.com</a>> wrote:<br>
</div>
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">
<div>
<p class="MsoNormal"><span lang="EN-US">Dear W2k
developers and users,</span></p>
<p class="MsoNormal"><span lang="EN-US"> The
wien2k version is 19.2 on Linux with gfortran,
OpenBlas and openmpi. Now
executing parallel run_lapw occurs errors. </span></p>
<p class="MsoNormal" style="text-indent:10.5pt"><span
lang="EN-US">When I run the command “run_lapw”,
there is not any error. When I
run the command “mpirun -np 4 run_lapw”, there are
some errors. I have tested
the openmpi installed successfully.</span></p>
<p class="MsoNormal" style="text-indent:10.5pt"><span
style="text-indent:10.5pt"> </span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">1.
The
following error occurs when running run_LAPW in
parallel on four processors</span><span
style="font-family:宋体">：</span><span lang="EN-US"></span></p>
<p class="MsoNormal" style="text-indent:10.5pt"
align="left"><span lang="EN-US">[YG_cheny@yg TiC]$
mpirun -np 4
run_lapw</span></p>
<p class="MsoNormal" style="text-indent:10.5pt"
align="left"><span lang="EN-US">STOP LAPW0 END</span></p>
<p class="MsoNormal" style="text-indent:10.5pt"
align="left"><span lang="EN-US">STOP LAPW0 END</span></p>
<p class="MsoNormal" style="text-indent:10.5pt"
align="left"><span lang="EN-US">mv: cannot move `.tmp'
to
`TiC.dayfile': No such file or directory</span></p>
<p class="MsoNormal" style="text-indent:10.5pt"
align="left"><span lang="EN-US">STOP LAPW0 END</span></p>
<p class="MsoNormal" style="text-indent:10.5pt"
align="left"><span lang="EN-US">STOP LAPW0 END</span></p>
<p class="MsoNormal" style="text-indent:10.5pt"
align="left"><span lang="EN-US">printf: write error:
No such file
or directory</span></p>
<p class="MsoNormal" style="text-indent:10.5pt"
align="left"><span lang="EN-US">> stop error</span></p>
<p class="MsoNormal" style="text-indent:10.5pt"
align="left"><span lang="EN-US">-------------------------------------------------------</span></p>
<p class="MsoNormal" style="text-indent:10.5pt"
align="left"><span lang="EN-US">Primary job
terminated normally, but 1 process returned</span></p>
<p class="MsoNormal" style="text-indent:10.5pt"
align="left"><span lang="EN-US">a non-zero exit code.
Per
user-direction, the job has been aborted.</span></p>
<p class="MsoNormal" style="text-indent:10.5pt"
align="left"><span lang="EN-US">-------------------------------------------------------</span></p>
<p class="MsoNormal" style="text-indent:10.5pt"
align="left"><span lang="EN-US">> stop error</span></p>
<p class="MsoNormal" style="text-indent:10.5pt"
align="left"><span lang="EN-US">--------------------------------------------------------------------------</span></p>
<p class="MsoNormal" style="text-indent:10.5pt"
align="left"><span lang="EN-US">mpirun detected that
one or more
processes exited with non-zero status, thus causing</span></p>
<p class="MsoNormal" style="text-indent:10.5pt"
align="left"><span lang="EN-US">the job to be
terminated. The first
process to do so was:</span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">
Process
name: [[45157,1],1]</span></p>
<div style="border:none;border-bottom:solid windowtext
1.0pt;padding:0cm 0cm 1.0pt 0cm">
<p class="MsoNormal" style="border:none;padding:0cm"
align="left"><span lang="EN-US"> Exit code:
9</span></p>
</div>
<p class="MsoNormal" align="left"><span lang="EN-US"> </span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">2.
Since
the file TiC. Dayfile exists, I ran the DOS2UNIX
command in order to solve the
problem. Then, "No such File or Directory" message
disappeared.</span></p>
<p class="MsoNormal" align="left"><span lang="EN-US"> </span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">3.However,
run the command “mpirun -np 4 run_lapw”again and the
following error message
still appears:</span></p>
<p class="MsoNormal" style="text-indent:10.5pt"
align="left"><span lang="EN-US">[YG_cheny@yg TiC]$
mpirun -np 4
run_lapw</span></p>
<p class="MsoNormal" style="text-indent:10.5pt"
align="left"><span lang="EN-US">STOP LAPW0 END</span></p>
<p class="MsoNormal" style="text-indent:10.5pt"
align="left"><span lang="EN-US">STOP LAPW0 END</span></p>
<p class="MsoNormal" style="text-indent:10.5pt"
align="left"><span lang="EN-US">STOP LAPW0 END</span></p>
<p class="MsoNormal" style="text-indent:10.5pt"
align="left"><span lang="EN-US">> stop error</span></p>
<p class="MsoNormal" style="text-indent:10.5pt"
align="left"><span lang="EN-US">-------------------------------------------------------</span></p>
<p class="MsoNormal" style="text-indent:10.5pt"
align="left"><span lang="EN-US">Primary job
terminated normally, but 1 process returned</span></p>
<p class="MsoNormal" style="text-indent:10.5pt"
align="left"><span lang="EN-US">a non-zero exit code.
Per
user-direction, the job has been aborted.</span></p>
<p class="MsoNormal" style="text-indent:10.5pt"
align="left"><span lang="EN-US">-------------------------------------------------------</span></p>
<p class="MsoNormal" style="text-indent:10.5pt"
align="left"><span lang="EN-US">> stop error</span></p>
<p class="MsoNormal" style="text-indent:10.5pt"
align="left"><span lang="EN-US">--------------------------------------------------------------------------</span></p>
<p class="MsoNormal" style="text-indent:10.5pt"
align="left"><span lang="EN-US">mpirun detected that
one or more
processes exited with non-zero status, thus causing</span></p>
<p class="MsoNormal" style="text-indent:10.5pt"
align="left"><span lang="EN-US">the job to be
terminated. The first
process to do so was:</span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">
Process
name: [[46028,1],3]</span></p>
<p class="MsoNormal" align="left"><span lang="EN-US">
Exit
code: 9</span></p>
<p class="MsoNormal" style="text-indent:10.5pt"
align="left"><span lang="EN-US">--------------------------------------------------------------------------</span></p>
<p class="MsoNormal" style="text-indent:10.5pt"
align="left"><span
style="font-size:10.5pt;font-family:"Calibri","sans-serif""
lang="EN-US">Sincerely
yours Yu</span></p>
</div>
</blockquote>
</div>
</div>
</div>
</blockquote>
<blockquote type="cite"
cite="mid:CANkSMZADganGg_y06wgnN4zNO3hkU_XSs265mOFSaFk9VoVtnQ@mail.gmail.com"></blockquote>
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