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<p>Hello<br>
</p>
<p>If you want to compute phonons using GPU acceleration, you must
use QE-7.2. <br>
</p>
<div class="moz-cite-prefix">Pietro<br>
</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">On 30/08/23 15:34, Owens, Jonathan (GE
Vernova, US) wrote:<br>
</div>
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<p class="MsoNormal">Hello,<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">QE Version: 7.0-GPU<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">I am trying to run a phonon calculation on
a ~192 atom system. The calculation stops, without
explanation, after the lines:<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal"> Representation 573 1 modes -
To be done<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal"> Representation 574 1 modes -
To be done<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal"> Representation 575 1 modes -
To be done<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal"> Representation 576 1 modes -
To be done<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">I’ve waited up to a few hours, but nothing
more ever seems to happen, including disk I/O.<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">I had tried the same calculation for a
similar, but different system and the same thing happened. I
also found this previous post (<a href="https://lists.quantum-espresso.org/pipermail/users/2020-February/044022.html" moz-do-not-send="true" class="moz-txt-link-freetext">https://lists.quantum-espresso.org/pipermail/users/2020-February/044022.html</a>)
but there didn’t seem to be a resolution to Sayan’s problem.<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Here are some links to the various
input/output files:<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<ul style="margin-top:0in" type="disc">
<li class="MsoListParagraph" style="margin-left:0in;mso-list:l0 level1 lfo1">PW input:
<a href="https://github.com/jonathan-owens/qe-help/blob/fb852892247df2dc407d2c9462a206a4e928ac40/pw.in" moz-do-not-send="true">
pw.in</a><o:p></o:p></li>
<li class="MsoListParagraph" style="margin-left:0in;mso-list:l0 level1 lfo1">PW output:
<a href="https://github.com/jonathan-owens/qe-help/blob/fb852892247df2dc407d2c9462a206a4e928ac40/pw.out" moz-do-not-send="true">
pw.out</a><o:p></o:p></li>
<li class="MsoListParagraph" style="margin-left:0in;mso-list:l0 level1 lfo1">PH input:
<a href="https://github.com/jonathan-owens/qe-help/blob/fb852892247df2dc407d2c9462a206a4e928ac40/ph.in" moz-do-not-send="true">
ph.in</a><o:p></o:p></li>
<li class="MsoListParagraph" style="margin-left:0in;mso-list:l0 level1 lfo1">PH output:
<a href="https://github.com/jonathan-owens/qe-help/blob/fb852892247df2dc407d2c9462a206a4e928ac40/ph.out" moz-do-not-send="true">
ph.out</a><o:p></o:p></li>
</ul>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Thank you for any help you can provide!<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<div>
<p class="MsoNormal"><b><span style="font-size:10.0pt;font-family:"Arial",sans-serif;color:#005E60;mso-ligatures:none">Jon
Owens, PhD</span></b><b><span style="font-size:9.0pt;font-family:"Arial",sans-serif;color:#005E60;mso-ligatures:none">
</span></b><span style="font-size:9.0pt;font-family:"Arial",sans-serif;color:#005E60;mso-ligatures:none">(he/him)</span><span style="font-size:10.0pt;font-family:inherit;mso-ligatures:none"><br>
</span><span style="font-size:9.0pt;font-family:"Arial",sans-serif;color:#767171;mso-ligatures:none">Lead
Scientist – Material Chemistry and Physics</span><span style="font-size:9.0pt;font-family:inherit;color:#767171;mso-ligatures:none"><br>
</span><span style="font-size:9.0pt;font-family:"Arial",sans-serif;color:#767171;mso-ligatures:none">GE
Vernova Advanced Research Center</span><span style="font-size:8.0pt;font-family:"Arial",sans-serif;color:#44546A;mso-ligatures:none"><o:p></o:p></span></p>
</div>
<p class="MsoNormal"><span style="font-size:9.0pt;font-family:inherit;color:#767171;mso-ligatures:none"><br>
</span><span style="font-size:9.0pt;font-family:"Arial",sans-serif;color:#767171;mso-ligatures:none">M
+1 518 703 1441</span><o:p></o:p></p>
</div>
<br>
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