<div dir="ltr"><div dir="ltr">On Thu, Nov 5, 2020 at 3:05 PM Baer, Bradly <<a href="mailto:bradly.b.baer@vanderbilt.edu">bradly.b.baer@vanderbilt.edu</a>> wrote:<br></div><div class="gmail_quote"><div> </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"><div style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)"><div><i>Pseudo file Ga.pbe-dn-kjpaw_psl.1.0.0.UPF has been fixed on the fly.</i></div>
<div><i>To avoid this message in the future, permanently fix </i></div>
<div><i> your pseudo files following these instructions: </i></div>
<div><i><a href="https://gitlab.com/QEF/q-e/blob/master/upftools/how_to_fix_upf.md" target="_blank">https://gitlab.com/QEF/q-e/blob/master/upftools/how_to_fix_upf.md</a></i></div></div></div></blockquote><div><br></div><div>This is a possible source of trouble if the output directory is not visible to all processors. Please try one of the following:<br></div><div>- do what it is suggested (or simply: edit Ga.pbe-dn-kjpaw_psl.1.0.0.UPF, replace all occurrences of "&" with "&")</div><div>- get version 6.6, that reads the pseudopotential file on one processor and broadcast its contents to all other processes</div><div>- get the development version, that in addition is not sensitive to the presence of nonstandard "&" in the files, </div><div><br></div><div>Paolo<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"><div style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
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-Brad</div>
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Bradly Baer</div>
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<span style="font-family:Calibri,Arial,Helvetica,sans-serif;background-color:rgb(255,255,255);display:inline">Graduate Research Assistant, Walker Lab</span><br>
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<span style="font-family:Calibri,Arial,Helvetica,sans-serif;background-color:rgb(255,255,255);display:inline">Interdisciplinary Materials Science</span><br>
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Vanderbilt University</div>
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<div id="gmail-m_8263478242330334081divRplyFwdMsg" dir="ltr"><font style="font-size:11pt" face="Calibri, sans-serif" color="#000000"><b>From:</b> users <<a href="mailto:users-bounces@lists.quantum-espresso.org" target="_blank">users-bounces@lists.quantum-espresso.org</a>> on behalf of Paolo Giannozzi <<a href="mailto:p.giannozzi@gmail.com" target="_blank">p.giannozzi@gmail.com</a>><br>
<b>Sent:</b> Thursday, November 5, 2020 2:33 AM<br>
<b>To:</b> Quantum ESPRESSO users Forum <<a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a>><br>
<b>Subject:</b> Re: [QE-users] Running efficiently on multiple nodes</font>
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<div dir="ltr">On Wed, Nov 4, 2020 at 11:28 PM Baer, Bradly <<a href="mailto:bradly.b.baer@vanderbilt.edu" target="_blank">bradly.b.baer@vanderbilt.edu</a>> wrote:<br>
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<div dir="ltr">Now that I have two nodes, the script for a single node results in a crash shortly after reading in the pseudopotentials.
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<div>which version of QE are you using, and which crash do you obtain, with which executable?<br>
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Paolo<br>
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<div>Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>
Phone +39-0432-558216, fax +39-0432-558222<br>
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</div>_________________<br>
Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu" rel="noreferrer" target="_blank">www.max-centre.eu</a>)<br>
users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a><br>
<a href="https://lists.quantum-espresso.org/mailman/listinfo/users" rel="noreferrer" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/users</a></blockquote></div><br clear="all"><br>-- <br><div dir="ltr" class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div>Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>Phone +39-0432-558216, fax +39-0432-558222<br><br></div></div></div></div></div></div>