Hi Matthias<div><br></div><div>Thanks. Happy to provide:</div><div>Running with Piz Daint 2 gpu nodes:</div><div> Intel Xeon E5-2690 v3 @ 2.60GHz (Haswell 12 cores, 64GB RAM) and NVIDIA® Tesla® P100 16GB</div><div>The .xyz and output is attached.</div><div><br></div><div><div>Kind Regards</div><div>Sam<br></div></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Monday, May 16, 2022 at 12:41:47 PM UTC+2 Matthias Krack wrote:<br/></div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
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<p class="MsoNormal"><span lang="EN-US">Hello Sam<u></u><u></u></span></p>
<p class="MsoNormal"><span lang="EN-US"><u></u> <u></u></span></p>
<p class="MsoNormal"><span lang="EN-US">you have to provide more information (full input with atomic coordinates, how and where do you run the case?). Otherwise, most likely, nobody will look into the issue without being able
to reproduce it.<u></u><u></u></span></p>
<p class="MsoNormal"><span lang="EN-US"><u></u> <u></u></span></p>
<p class="MsoNormal"><span lang="EN-US">Best regards<u></u><u></u></span></p>
<p class="MsoNormal"><span lang="EN-US"><u></u> <u></u></span></p>
<p class="MsoNormal"><span lang="EN-US">Matthias <u></u><u></u></span></p></div></div><div lang="en-CH" link="blue" vlink="purple" style="word-wrap:break-word"><div>
<p class="MsoNormal"><span lang="EN-US"><u></u> <u></u></span></p>
<div style="border:none;border-top:solid #b5c4df 1.0pt;padding:3.0pt 0cm 0cm 0cm">
<p class="MsoNormal" style="margin-left:36.0pt"><b><span style="font-size:12.0pt;color:black">From:
</span></b><span style="font-size:12.0pt;color:black">"<a href data-email-masked rel="nofollow">cp...@googlegroups.com</a>" <<a href data-email-masked rel="nofollow">cp...@googlegroups.com</a>> on behalf of Sam Broderick <<a href data-email-masked rel="nofollow">wave...@gmail.com</a>><br>
<b>Reply to: </b>"<a href data-email-masked rel="nofollow">cp...@googlegroups.com</a>" <<a href data-email-masked rel="nofollow">cp...@googlegroups.com</a>><br>
<b>Date: </b>Monday, 16 May 2022 at 12:21<br>
<b>To: </b>"<a href data-email-masked rel="nofollow">cp...@googlegroups.com</a>" <<a href data-email-masked rel="nofollow">cp...@googlegroups.com</a>><br>
<b>Subject: </b>[CP2K:16984] Re: Issue with Voronoi & Au Nanoparticle<u></u><u></u></span></p>
</div>
<div>
<p class="MsoNormal" style="margin-left:36.0pt"><u></u> <u></u></p>
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<p class="MsoNormal" style="margin-left:36.0pt">Additionally, the plugin does not start at all when the keyword <span style="font-family:"Courier New"">&VORONOI
</span>is followed by anything besides <span style="font-family:"Courier New"">ON</span>.<br>
<br>
Any help would be very greatly appreciated! <u></u><u></u></p>
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<p class="MsoNormal" style="margin-left:36.0pt"><u></u> <u></u></p>
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<p class="MsoNormal" style="margin-left:36.0pt">Many Thanks<u></u><u></u></p>
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<p class="MsoNormal" style="margin-left:36.0pt">Sam<u></u><u></u></p>
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<p class="MsoNormal" style="margin-left:36.0pt"><u></u> <u></u></p>
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<div>
<p class="MsoNormal" style="margin-left:36.0pt">On Wednesday, May 11, 2022 at 10:53:37 AM UTC+2 Sam Broderick wrote:<u></u><u></u></p>
</div>
<blockquote style="border:none;border-left:solid #cccccc 1.0pt;padding:0cm 0cm 0cm 6.0pt;margin-left:4.8pt;margin-right:0cm">
<p class="MsoNormal" style="margin-left:36.0pt">Hi <u></u><u></u></p>
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<p class="MsoNormal" style="margin-left:36.0pt"><u></u> <u></u></p>
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<p class="MsoNormal" style="margin-left:36.0pt">After some initial struggles with switching to metals, I was able to maintain the symmetry with this in the &SUBSYS:<u></u><u></u></p>
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<p class="MsoNormal" style="margin-left:36.0pt"><span style="font-family:"Courier New""> &PRINT<br>
&SYMMETRY<br>
SYMMETRY_ELEMENTS<br>
&END SYMMETRY<br>
&END PRINT</span><u></u><u></u></p>
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<p class="MsoNormal" style="margin-left:36.0pt"><u></u> <u></u></p>
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<div>
<p class="MsoNormal" style="margin-left:36.0pt">I have encountered a new problem with the Voronoi plugin hanging (gpu environment). It just hangs:<u></u><u></u></p>
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<p class="MsoNormal" style="margin-left:36.0pt"><u></u> <u></u></p>
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<div>
<p class="MsoNormal" style="margin-left:36.0pt"><span style="font-family:"Courier New"">VORONOI| Voronoi tessellation and integration over grid...</span><u></u><u></u></p>
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<p class="MsoNormal" style="margin-left:36.0pt"><u></u> <u></u></p>
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<p class="MsoNormal" style="margin-left:36.0pt">Has anyone else encountered this? <u></u><u></u></p>
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</blockquote>
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</div></div><div lang="en-CH" link="blue" vlink="purple" style="word-wrap:break-word"><div><p class="MsoNormal" style="margin-left:36.0pt">-- <br>
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