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Tamas,</div>
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I will check the disk space, but this exact input file will work when running on only one node. Then it crashes when running on 2 nodes. My suspicion is that there is some issue with information being stored correctly across multiple nodes that I don't understand.</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 Tamas Karpati <tkarpati@gmail.com><br>
<b>Sent:</b> Thursday, November 5, 2020 9:14 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>
<div> </div>
</div>
<div class="BodyFragment"><font size="2"><span style="font-size:11pt;">
<div class="PlainText">Dear Brad,<br>
Your missing CRASH file remembers me when I made QE eat up all disk<br>
space on the disk used to be used.<br>
End of logs and a lot more were missing, only "df ." gave me the hint.<br>
So the naive question raises: is it not your case, too?<br>
t<br>
<br>
On Thu, Nov 5, 2020 at 3:05 PM Baer, Bradly<br>
<bradly.b.baer@vanderbilt.edu> wrote:<br>
><br>
> Good morning,<br>
><br>
> 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.<br>
><br>
> Program PWSCF v.6.5 starts on 4Nov2020 at 16:25:44<br>
><br>
> This program is part of the open-source Quantum ESPRESSO suite<br>
> for quantum simulation of materials; please cite<br>
> "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);<br>
> "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);<br>
> URL <a href="https://nam04.safelinks.protection.outlook.com/?url=http%3A%2F%2Fwww.quantum-espresso.org%2F&data=04%7C01%7Cbradly.b.baer%40vanderbilt.edu%7Cb1638210cdc84ba8dbc008d8819d47a6%7Cba5a7f39e3be4ab3b45067fa80faecad%7C0%7C0%7C637401859801857788%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C1000&sdata=hD%2FHe1Q4OUyhFCisO%2BGJ9%2F9xX4r2NW%2FKPVvtnBe3plw%3D&reserved=0">
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> in publications or presentations arising from this work. More details at<br>
> <a href="https://nam04.safelinks.protection.outlook.com/?url=http%3A%2F%2Fwww.quantum-espresso.org%2Fquote&data=04%7C01%7Cbradly.b.baer%40vanderbilt.edu%7Cb1638210cdc84ba8dbc008d8819d47a6%7Cba5a7f39e3be4ab3b45067fa80faecad%7C0%7C0%7C637401859801857788%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C1000&sdata=1PQCQY%2BNBv7HJGcjilr22Xl%2Fdhys3Xh8XmS%2BD3HKfig%3D&reserved=0">
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><br>
> Parallel version (MPI), running on 32 processors<br>
><br>
> MPI processes distributed on 2 nodes<br>
> R & G space division: proc/nbgrp/npool/nimage = 32<br>
> Reading input from AlNGaNSuperlatticeWZScf.in<br>
> Warning: card &IONS ignored<br>
> Warning: card / ignored<br>
> Warning: card &CELL ignored<br>
> Warning: card / ignored<br>
><br>
> Current dimensions of program PWSCF are:<br>
> Max number of different atomic species (ntypx) = 10<br>
> Max number of k-points (npk) = 40000<br>
> Max angular momentum in pseudopotentials (lmaxx) = 3<br>
> Message from routine read_upf::<br>
> Pseudo file Ga.pbe-dn-kjpaw_psl.1.0.0.UPF has been fixed on the fly.<br>
> To avoid this message in the future, permanently fix<br>
> your pseudo files following these instructions:<br>
> <a href="https://nam04.safelinks.protection.outlook.com/?url=https%3A%2F%2Fgitlab.com%2FQEF%2Fq-e%2Fblob%2Fmaster%2Fupftools%2Fhow_to_fix_upf.md&data=04%7C01%7Cbradly.b.baer%40vanderbilt.edu%7Cb1638210cdc84ba8dbc008d8819d47a6%7Cba5a7f39e3be4ab3b45067fa80faecad%7C0%7C0%7C637401859801857788%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C1000&sdata=CaIXAcsel0be45UxIUiCV0VzK5PqPZFxgoVjACFHz3c%3D&reserved=0">
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><br>
><br>
> -Brad<br>
><br>
> --------------------------------------------------------<br>
> Bradly Baer<br>
> Graduate Research Assistant, Walker Lab<br>
> Interdisciplinary Materials Science<br>
> Vanderbilt University<br>
><br>
><br>
> ________________________________<br>
> From: users <users-bounces@lists.quantum-espresso.org> on behalf of Paolo Giannozzi <p.giannozzi@gmail.com><br>
> Sent: Thursday, November 5, 2020 2:33 AM<br>
> To: Quantum ESPRESSO users Forum <users@lists.quantum-espresso.org><br>
> Subject: Re: [QE-users] Running efficiently on multiple nodes<br>
><br>
> On Wed, Nov 4, 2020 at 11:28 PM Baer, Bradly <bradly.b.baer@vanderbilt.edu> wrote:<br>
><br>
><br>
> Now that I have two nodes, the script for a single node results in a crash shortly after reading in the pseudopotentials.<br>
><br>
><br>
> which version of QE are you using, and which crash do you obtain, with which executable?<br>
><br>
> Paolo<br>
> --<br>
> 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>
> _______________________________________________<br>
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