<div dir="ltr"><div class="gmail_default" style="font-family:verdana,sans-serif;color:#000000">Without knowing how you compiled it is hard to be certain. The output indicates a problem in PDSYEVX (looking in the relevant program, seclr4.F. From a google search of the code, a "-N" indicates an error in the "N" argument, which appears to be DESCZ. This suggests that you may have linked to an inappropriate version of the scalapack libraries. However, this is just a guess and may be wrong, the problem being elsewhere.</div><div class="gmail_default" style="font-family:verdana,sans-serif;color:#000000"><br></div><div class="gmail_default" style="font-family:verdana,sans-serif;color:#000000">N.B., your .machines file is odd, both because normally one has multiple cores on a node and because you have not specified the omp_??? variables which are needed for version 19.1.</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Mon, Nov 25, 2019 at 12:11 PM Hanning Chen <<a href="mailto:hchen@american.edu">hchen@american.edu</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">
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<p class="MsoNormal"><span style="font-size:11pt">Dear WIEN2K developers and users,<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:11pt"><u></u> <u></u></span></p>
<p class="MsoNormal"><span style="font-size:11pt"> I am running the latest WIEN2K_19.1 on a Linux machine with Intel 19.0.1.144 compiler set and MKL math libraries.
<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:11pt"><u></u> <u></u></span></p>
<p class="MsoNormal"><span style="font-size:11pt"> I ran a test on a water molecule, and it passed the serial execution.
<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:11pt"><u></u> <u></u></span></p>
<p class="MsoNormal"><span style="font-size:11pt"> However, when I ran it in parallel on two nodes with the following .machines file:<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:11pt"><u></u> <u></u></span></p>
<p class="MsoNormal"><span style="font-size:11pt"> granularity:1<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:11pt"> lapw0: machine1 machine2<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:11pt"> 1:machine1 machine2<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:11pt"> Extrafine:1<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:11pt"><u></u> <u></u></span></p>
<p class="MsoNormal"><span style="font-size:11pt"> It crashed with error messages in file “lapw1.error” as<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:11pt"><u></u> <u></u></span></p>
<p class="MsoNormal"><span style="font-size:11pt"> **. Error in Parallel LAPW1’<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:11pt"> **. LAPW1 STOPPED
<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:11pt"> **. Check ERROR FILES!<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:11pt"> SEP INFOR = -21<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:11pt"> ‘SECLR4’ - SYEVX (Scalapack/LAPACK) failed.<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:11pt"> ‘Unknow’ - Process termination signal received.
<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:11pt"><u></u> <u></u></span></p>
<p class="MsoNormal"><span style="font-size:11pt"> Can you please help me fix this problem on the parallel version of lapw1?<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:11pt"><u></u> <u></u></span></p>
<p class="MsoNormal"><span style="font-size:11pt"> Thanks.<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:11pt"> <u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:11pt">Hanning Chen, Ph.D.<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:11pt">Department of Chemistry<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:11pt">American University<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:11pt">Washington, DC 20016<u></u><u></u></span></p>
<p class="MsoNormal"><u></u> <u></u></p>
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</blockquote></div><br clear="all"><div><br></div>-- <br><div dir="ltr" class="gmail_signature"><div dir="ltr">Professor Laurence Marks<br>Department of Materials Science and Engineering<br>Northwestern University<br><a href="http://www.numis.northwestern.edu/" target="_blank">www.numis.northwestern.edu</a><div>Corrosion in 4D: <a href="http://www.numis.northwestern.edu/MURI" target="_blank">www.numis.northwestern.edu/MURI</a><br>Co-Editor, Acta Cryst A<br>"Research is to see what everybody else has seen, and to think what nobody else has thought"<br>Albert Szent-Gyorgi</div></div></div>