<div dir="ltr"><div class="gmail_default" style="font-family:verdana,sans-serif;color:#000000">Most probably you forgot to export your PATH (e.g. from bash do "export PATH") so the information is not making it beyond your shell. You might have a bad csh/tcsh. Try adding "which lapw1_mpi" to $WIENROOT/parallel_options, and check that file has correct setenv for  WIEN_MPIRUN.</div></div><br><div class="gmail_quote"><div dir="ltr">On Thu, Jan 10, 2019 at 12:00 PM Matthew D Redell <<a href="mailto:mredell1@binghamton.edu">mredell1@binghamton.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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Hello,
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<div>I am running WIEN2k_2018.2 on CentOs7 and have come across the following problem that I cannot seem to resolve.</div>
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<div>After successfully initializing the calculation and setting up the .machines for a single host (local workstation), I run: run_lapw -p</div>
<div><br>
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<div>lapw0 ends fine, but the lapw1 returns</div>
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<span style="font-variant-ligatures:no-common-ligatures">bash: mpirun: command not found</span></div>
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<div>The same error occurs if I just try </div>
<div>x lapw1 -p</div>
<div><br>
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<div>However, which mpirun</div>
<div>returns </div>
<div><span style="color:rgb(242,242,242);font-family:Monaco;font-size:10px;background-color:rgba(0,0,0,0.85)">/opt/intel/compilers_and_libraries_2019.1.144/linux/mpi/intel64/bin/mpirun</span></div>
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</div>
<div>I also did a little troubleshooting to see if I could run lapw1 in parallel via</div>
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<pre style="font-family:courier,"courier new",monospace;font-size:14px;white-space:pre-wrap;margin-top:0px;margin-bottom:0px">mpirun -n 4 lapw1_mpi lapw1_1.def</pre>
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<div>which ran without any issues. Also, checking more…</div>
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<div style="margin:0px;font-stretch:normal;font-size:10px;line-height:normal;font-family:Monaco;color:rgb(242,242,242);background-color:rgba(0,0,0,0.85)">
<span style="font-variant-ligatures:no-common-ligatures">grep MPIRUN $WIENROOT/WIEN2k_OPTIONS</span></div>
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<div>returns</div>
<div>
<div style="margin:0px;font-stretch:normal;font-size:10px;line-height:normal;font-family:Monaco;color:rgb(242,242,242);background-color:rgba(0,0,0,0.85)">
<span style="font-variant-ligatures:no-common-ligatures">current:</span><span style="font-variant-ligatures:no-common-ligatures;color:rgb(180,36,25)">MPIRUN</span><span style="font-variant-ligatures:no-common-ligatures">:mpirun -np
 _NP_ -machinefile _HOSTS_ _EXEC_</span></div>
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<div>So, the only possibility I am able to deduce is that either the run_lapw script or the lapw1para script is not locating the mpirun command, but I do not know how to begin sorting out this issue. Any help would be greatly appreciated.</div>
<div><br>
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<div>Best,</div>
<div>Matt</div>
<div><br>
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<div style="color:rgb(0,0,0);letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px">
Matthew D Redell<br>
<i>Graduate Student/Teaching Assistant</i>
<div><i>Department of Physics, Applied Physics, and Astronomy</i></div>
<div><b>Binghamton University-State University of New York</b></div>
<div><a href="mailto:mredell1@binghamton.edu" target="_blank">E-mail: mredell1@binghamton.edu</a></div>
<div>Office: SN-2011D<br>
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</blockquote></div><br clear="all"><div><br></div>-- <br><div dir="ltr" class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><span style="font-size:12.8px">Professor Laurence Marks</span><br></div><div dir="ltr"><span style="font-size:12.8px">"Research is to see what everybody else has seen, and to think what nobody else has thought", </span><span style="font-size:12.8px">Albert Szent-Gyorgi</span><br><a href="http://www.numis.northwestern.edu" target="_blank">www.numis.northwestern.edu</a> ; <span style="font-size:12.8px">Corrosion in 4D: </span><a href="http://MURI4D.numis.northwestern.edu" style="font-size:12.8px" target="_blank">MURI4D.numis.northwestern.edu</a><div><span style="font-size:12.8px">Partner of the CFW 100% program for gender equity, </span><a href="http://www.cfw.org/100-percent" style="font-size:12.8px" target="_blank">www.cfw.org/100-percent</a></div><div>Co-Editor, Acta Cryst A</div></div></div></div></div></div></div></div></div></div></div>