<div dir="ltr">Dear Prof. L. Marks,<div>I carried out several tests and I noticed that the program crach only in parallel mode, and here is the error message obtained after:<br>x lapw1 -p<br>x qtl -p</div><div>############# error message</div><div>running QTL in parallel mode<br>calculating QTL's from parallel vectors<br>so: Undefined variable.<br>0.014u 0.022s 0:00.02 150.0% 0+0k 0+24io 0pf+0w<br>error: command /home/job/Wien2k/qtlpara -c qtl.def failed</div><div>############<br>i think the error is in
qtlpara
file and not qtl program.<br>in attached file you find the error and def files<br>for the version, of course, it's 21.1<br>for my previous message, I ask you to ignore it because the error was obvious because I launched x qtl after a parallel calculation of lapw1<br></div><div>Sincerely </div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">Le sam. 29 mai 2021 à 14:24, Laurence Marks <<a href="mailto:laurence.marks@gmail.com">laurence.marks@gmail.com</a>> a écrit :<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="auto">Before Peter asks, is this 21.1 & what is in qtl.def ?<br><br><div>---<br>Prof Laurence Marks<br>"Research is to see what everyone else has seen, and to think what nobody else has thought", Albert Szent-Györgyi<br><a href="http://www.numis.northwestern.edu" target="_blank">www.numis.northwestern.edu</a></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sat, May 29, 2021, 07:19 Hamza Bouafia <<a href="mailto:hamza.bfa@gmail.com" target="_blank">hamza.bfa@gmail.com</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"><div dir="ltr"><p class="MsoNormal" style="margin:0cm 0cm 8pt;line-height:107%;font-size:11pt;font-family:Calibri,sans-serif"><span lang="EN-US">Dear Prof. P. Blaha,</span></p><p class="MsoNormal" style="margin:0cm 0cm 8pt;line-height:107%;font-size:11pt;font-family:Calibri,sans-serif"><span lang="EN-US">I think
there is a bug in qtl program (x qtl) for non-magnetic calculations, it is
trying to open case.vectordn file instead of case.vector.</span></p>
<p class="MsoNormal" style="margin:0cm 0cm 8pt;line-height:107%;font-size:11pt;font-family:Calibri,sans-serif"><span lang="EN-US">The error
message in qtl.error file :</span></p>
<p class="MsoNormal" style="margin:0cm 0cm 8pt;line-height:107%;font-size:11pt;font-family:Calibri,sans-serif"><span lang="EN-US">'QTL' -
can't open unit: 10
</span></p>
<p class="MsoNormal" style="margin:0cm 0cm 8pt;line-height:107%;font-size:11pt;font-family:Calibri,sans-serif"><span lang="EN-US"> 'QTL' -
filename: ./CuInS2.vectordn </span></p>
<p class="MsoNormal" style="margin:0cm 0cm 8pt;line-height:107%;font-size:11pt;font-family:Calibri,sans-serif"><span lang="EN-US"> 'QTL' - status: unknown form: unformatted </span></p><p class="MsoNormal" style="margin:0cm 0cm 8pt;line-height:107%;font-size:11pt;font-family:Calibri,sans-serif">Sincerely </p><p class="MsoNormal" style="margin:0cm 0cm 8pt;line-height:107%;font-size:11pt;font-family:Calibri,sans-serif">H.BOUAFIA</p></div>
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