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<p class="MsoNormal"><span style="font-size:11.0pt">Dear WIEN2K developers and users,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"> I am running the latest WIEN2K_19.1 on a Linux machine with Intel 19.0.1.144 compiler set and MKL math libraries.
<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"> I ran a test on a water molecule, and it passed the serial execution.
<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"> However, when I ran it in parallel on two nodes with the following .machines file:<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"> granularity:1<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"> lapw0: machine1 machine2<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"> 1:machine1 machine2<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"> Extrafine:1<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"> It crashed with error messages in file “lapw1.error” as<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"> **. Error in Parallel LAPW1’<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"> **. LAPW1 STOPPED
<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"> **. Check ERROR FILES!<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"> SEP INFOR = -21<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"> ‘SECLR4’ - SYEVX (Scalapack/LAPACK) failed.<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"> ‘Unknow’ - Process termination signal received.
<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"> Can you please help me fix this problem on the parallel version of lapw1?<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"> Thanks.<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"> <o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt">Hanning Chen, Ph.D.<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt">Department of Chemistry<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt">American University<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt">Washington, DC 20016<o:p></o:p></span></p>
<p class="MsoNormal"><o:p> </o:p></p>
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