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<p class="MsoNormal">Hi,<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">I’m running ver 23.2 on a SLURM-managed cluster. I’ve been looking at the :parallel file for job step timing to optimize performance.<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">I think there is a minor bug in the output, where it refers to lapw0 as lapw1.<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Here is relevant text from a :parallel file:<o:p></o:p></p>
<p class="MsoNormal" style="margin-left:.5in"><o:p> </o:p></p>
<p class="MsoNormal" style="margin-left:.5in"><o:p> </o:p></p>
<p class="MsoNormal" style="margin-left:.5in">starting parallel lapw1 at Wed May 1 16:25:39 CDT 2024<o:p></o:p></p>
<p class="MsoNormal" style="margin-left:.5in"> 2 <- done at Wed May 1 16:25:52 CDT 2024<o:p></o:p></p>
<p class="MsoNormal" style="margin-left:.5in"> 3 -----------------------------------------------------------------<o:p></o:p></p>
<p class="MsoNormal" style="margin-left:.5in"> 4 starting parallel lapw1 at Wed May 1 16:26:18 CDT 2024<o:p></o:p></p>
<p class="MsoNormal" style="margin-left:.5in"> 5 cypress01-029 cypress01-029 cypress01-029 cypress01-029 cypress01-029 cypress01-029 cypress01-029 cypress01-029 cyp<o:p></o:p></p>
<p class="MsoNormal" style="margin-left:.5in"> ress01-029(3) 0.019u 0.056s 23:55.17 0.0% 0+0k 0+8io 0pf+0w<o:p></o:p></p>
<p class="MsoNormal" style="margin-left:.5in"> 6 cypress01-031 cypress01-031 cypress01-031 cypress01-031 cypress01-031 cypress01-031 cypress01-031 cypress01-031 cyp<o:p></o:p></p>
<p class="MsoNormal" style="margin-left:.5in"> ress01-031(2) 0.031u 0.053s 40:08.71 0.0% 0+0k 0+16io 0pf+0w<o:p></o:p></p>
<p class="MsoNormal" style="margin-left:.5in"> 7 cypress01-032 cypress01-032 cypress01-032 cypress01-032 cypress01-032 cypress01-032 cypress01-032 cypress01-032 cyp<o:p></o:p></p>
<p class="MsoNormal" style="margin-left:.5in"> ress01-032(2) 0.025u 0.066s 56:58.72 0.0% 0+0k 0+16io 0pf+0w<o:p></o:p></p>
<p class="MsoNormal" style="margin-left:.5in"> 8 cypress01-036 cypress01-036 cypress01-036 cypress01-036 cypress01-036 cypress01-036 cypress01-036 cypress01-036 cyp<o:p></o:p></p>
<p class="MsoNormal" style="margin-left:.5in"> ress01-036(2) 0.032u 0.067s 1:13:47.00 0.0% 0+0k 0+16io 0pf+0w<o:p></o:p></p>
<p class="MsoNormal" style="margin-left:.5in"> 9 Summary of lapw1para:<o:p></o:p></p>
<p class="MsoNormal" style="margin-left:.5in">10 cypress01-029 k=3 user=0.019 wallclock=1435.17<o:p></o:p></p>
<p class="MsoNormal" style="margin-left:.5in">11 cypress01-031 k=2 user=0.031 wallclock=2408.71<o:p></o:p></p>
<p class="MsoNormal" style="margin-left:.5in">12 cypress01-032 k=2 user=0.025 wallclock=3418.72<o:p></o:p></p>
<p class="MsoNormal" style="margin-left:.5in">13 cypress01-036 k=2 user=0.032 wallclock=73<o:p></o:p></p>
<p class="MsoNormal" style="margin-left:.5in">14 <- done at Wed May 1 17:40:07 CDT 2024<o:p></o:p></p>
<p class="MsoNormal" style="margin-left:.5in">15 -----------------------------------------------------------------
<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">The first “lapw1” should be lapw0.<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">A separate file called :parallel_lapw0 is also generated. This refers to lapw0 correctly.<o:p></o:p></p>
<p class="MsoNormal" style="margin-left:.5in">starting parallel lapw0 at Wed May 1 16:25:52 CDT 2024<o:p></o:p></p>
<p class="MsoNormal" style="margin-left:.5in">2 <- done at Wed May 1 16:26:18 CDT 2024<o:p></o:p></p>
<p class="MsoNormal" style="margin-left:.5in">3 -----------------------------------------------------------------<o:p></o:p></p>
<p class="MsoNormal" style="margin-left:.5in">4 starting parallel lapw0 at Wed May 1 18:55:36 CDT 2024<o:p></o:p></p>
<p class="MsoNormal" style="margin-left:.5in">5 <- done at Wed May 1 18:56:00 CDT 2024<o:p></o:p></p>
<p class="MsoNormal" style="margin-left:.5in">6 -----------------------------------------------------------------<o:p></o:p></p>
<p class="MsoNormal" style="margin-left:.5in"><o:p> </o:p></p>
<p class="MsoNormal">Perhaps this is as intended, though I got confused by it.<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal"> <span style="mso-ligatures:none"><o:p></o:p></span></p>
<p class="MsoNormal">Daniel Straus<o:p></o:p></p>
<p class="MsoNormal">Assistant Professor<o:p></o:p></p>
<p class="MsoNormal">Department of Chemistry<o:p></o:p></p>
<p class="MsoNormal">Tulane University<o:p></o:p></p>
<p class="MsoNormal">5088 Percival Stern Hall<o:p></o:p></p>
<p class="MsoNormal">6400 Freret Street<o:p></o:p></p>
<p class="MsoNormal">New Orleans, LA 70118<o:p></o:p></p>
<p class="MsoNormal">(504) 862-3585<o:p></o:p></p>
<p class="MsoNormal"><a href="http://straus.tulane.edu/"><span style="color:#0563C1">http://straus.tulane.edu/</span></a><o:p></o:p></p>
<p class="MsoNormal"> <o:p></o:p></p>
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<p class="MsoNormal"><o:p> </o:p></p>
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