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Good morning,</div>
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I am using QE6.5. I believe pw.x is crashing, but I cannot find the CRASH file afterwards and there is not crash information in the .out file, it just stops. I've pasted the output below.</div>
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<i> Program PWSCF v.6.5 starts on 4Nov2020 at 16:25:44 </i>
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<div><i> This program is part of the open-source Quantum ESPRESSO suite</i></div>
<div><i> for quantum simulation of materials; please cite</i></div>
<div><i> "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);</i></div>
<div><i> "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);</i></div>
<div><i> URL http://www.quantum-espresso.org", </i></div>
<div><i> in publications or presentations arising from this work. More details at</i></div>
<div><i> http://www.quantum-espresso.org/quote</i></div>
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<div><i> Parallel version (MPI), running on 32 processors</i></div>
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<div><i> MPI processes distributed on 2 nodes</i></div>
<div><i> R & G space division: proc/nbgrp/npool/nimage = 32</i></div>
<div><i> Reading input from AlNGaNSuperlatticeWZScf.in</i></div>
<div><i>Warning: card &IONS ignored</i></div>
<div><i>Warning: card / ignored</i></div>
<div><i>Warning: card &CELL ignored</i></div>
<div><i>Warning: card / ignored</i></div>
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<div><i> Current dimensions of program PWSCF are:</i></div>
<div><i> Max number of different atomic species (ntypx) = 10</i></div>
<div><i> Max number of k-points (npk) = 40000</i></div>
<div><i> Max angular momentum in pseudopotentials (lmaxx) = 3</i></div>
<div><i> Message from routine read_upf::</i></div>
<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>https://gitlab.com/QEF/q-e/blob/master/upftools/how_to_fix_upf.md</i></div>
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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!important">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!important">Interdisciplinary Materials Science</span><br>
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Vanderbilt University</div>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>From:</b> users <users-bounces@lists.quantum-espresso.org> on behalf of Paolo Giannozzi <p.giannozzi@gmail.com><br>
<b>Sent:</b> Thursday, November 5, 2020 2:33 AM<br>
<b>To:</b> Quantum ESPRESSO users Forum <users@lists.quantum-espresso.org><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">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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