<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">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">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,<u></u><u></u></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. <u></u><u></u></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"><u></u><u></u></span></p>
<p class="MsoNormal" align="left" style="text-indent:10.5pt"><span lang="EN-US">[YG_cheny@yg TiC]$ mpirun -np 4
run_lapw<u></u><u></u></span></p>
<p class="MsoNormal" align="left" style="text-indent:10.5pt"><span lang="EN-US">STOP LAPW0 END<u></u><u></u></span></p>
<p class="MsoNormal" align="left" style="text-indent:10.5pt"><span lang="EN-US">STOP LAPW0 END<u></u><u></u></span></p>
<p class="MsoNormal" align="left" style="text-indent:10.5pt"><span lang="EN-US">mv: cannot move `.tmp' to
`TiC.dayfile': No such file or directory<u></u><u></u></span></p>
<p class="MsoNormal" align="left" style="text-indent:10.5pt"><span lang="EN-US">STOP LAPW0 END<u></u><u></u></span></p>
<p class="MsoNormal" align="left" style="text-indent:10.5pt"><span lang="EN-US">STOP LAPW0 END<u></u><u></u></span></p>
<p class="MsoNormal" align="left" style="text-indent:10.5pt"><span lang="EN-US">printf: write error: No such file
or directory<u></u><u></u></span></p>
<p class="MsoNormal" align="left" style="text-indent:10.5pt"><span lang="EN-US">> stop error<u></u><u></u></span></p>
<p class="MsoNormal" align="left" style="text-indent:10.5pt"><span lang="EN-US">-------------------------------------------------------<u></u><u></u></span></p>
<p class="MsoNormal" align="left" style="text-indent:10.5pt"><span lang="EN-US">Primary job terminated normally, but 1 process returned<u></u><u></u></span></p>
<p class="MsoNormal" align="left" style="text-indent:10.5pt"><span lang="EN-US">a non-zero exit code. Per
user-direction, the job has been aborted.<u></u><u></u></span></p>
<p class="MsoNormal" align="left" style="text-indent:10.5pt"><span lang="EN-US">-------------------------------------------------------<u></u><u></u></span></p>
<p class="MsoNormal" align="left" style="text-indent:10.5pt"><span lang="EN-US">> stop error<u></u><u></u></span></p>
<p class="MsoNormal" align="left" style="text-indent:10.5pt"><span lang="EN-US">--------------------------------------------------------------------------<u></u><u></u></span></p>
<p class="MsoNormal" align="left" style="text-indent:10.5pt"><span lang="EN-US">mpirun detected that one or more
processes exited with non-zero status, thus causing<u></u><u></u></span></p>
<p class="MsoNormal" align="left" style="text-indent:10.5pt"><span lang="EN-US">the job to be terminated. The first
process to do so was:<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US"> Process
name: [[45157,1],1]<u></u><u></u></span></p>
<div style="border:none;border-bottom:solid windowtext 1.0pt;padding:0cm 0cm 1.0pt 0cm">
<p class="MsoNormal" align="left" style="border:none;padding:0cm"><span lang="EN-US"> Exit code:
9<u></u><u></u></span></p>
</div>
<p class="MsoNormal" align="left"><span lang="EN-US"> <u></u><u></u></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.<u></u><u></u></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:<u></u><u></u></span></p>
<p class="MsoNormal" align="left" style="text-indent:10.5pt"><span lang="EN-US">[YG_cheny@yg TiC]$ mpirun -np 4
run_lapw<u></u><u></u></span></p>
<p class="MsoNormal" align="left" style="text-indent:10.5pt"><span lang="EN-US">STOP LAPW0 END<u></u><u></u></span></p>
<p class="MsoNormal" align="left" style="text-indent:10.5pt"><span lang="EN-US">STOP LAPW0 END<u></u><u></u></span></p>
<p class="MsoNormal" align="left" style="text-indent:10.5pt"><span lang="EN-US">STOP LAPW0 END<u></u><u></u></span></p>
<p class="MsoNormal" align="left" style="text-indent:10.5pt"><span lang="EN-US">> stop error<u></u><u></u></span></p>
<p class="MsoNormal" align="left" style="text-indent:10.5pt"><span lang="EN-US">-------------------------------------------------------<u></u><u></u></span></p>
<p class="MsoNormal" align="left" style="text-indent:10.5pt"><span lang="EN-US">Primary job terminated normally, but 1 process returned<u></u><u></u></span></p>
<p class="MsoNormal" align="left" style="text-indent:10.5pt"><span lang="EN-US">a non-zero exit code. Per
user-direction, the job has been aborted.<u></u><u></u></span></p>
<p class="MsoNormal" align="left" style="text-indent:10.5pt"><span lang="EN-US">-------------------------------------------------------<u></u><u></u></span></p>
<p class="MsoNormal" align="left" style="text-indent:10.5pt"><span lang="EN-US">> stop error<u></u><u></u></span></p>
<p class="MsoNormal" align="left" style="text-indent:10.5pt"><span lang="EN-US">--------------------------------------------------------------------------<u></u><u></u></span></p>
<p class="MsoNormal" align="left" style="text-indent:10.5pt"><span lang="EN-US">mpirun detected that one or more
processes exited with non-zero status, thus causing<u></u><u></u></span></p>
<p class="MsoNormal" align="left" style="text-indent:10.5pt"><span lang="EN-US">the job to be terminated. The first
process to do so was:<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US"> Process
name: [[46028,1],3]<u></u><u></u></span></p>
<p class="MsoNormal" align="left"><span lang="EN-US"> Exit
code: 9<u></u><u></u></span></p>
<p class="MsoNormal" align="left" style="text-indent:10.5pt"><span lang="EN-US">--------------------------------------------------------------------------<u></u><u></u></span></p><p class="MsoNormal" align="left" style="text-indent:10.5pt"><span lang="EN-US" style="font-size:10.5pt;font-family:"Calibri","sans-serif"">Sincerely
yours Yu</span></p></div><div>
<blockquote type="cite">
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