Hi Matthias,<div><br></div><div>I've also tried version 8.1 and had the same error.  Do you know which version would have the fix?</div><div><br></div><div>Thanks,</div><div>Frank<br><br></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Saturday, August 20, 2022 at 5:16:22 PM UTC-4 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-GB">Hi Frank<u></u><u></u></span></p>
<p class="MsoNormal"><span lang="EN-GB"><u></u> <u></u></span></p>
<p class="MsoNormal"><span lang="EN-GB">It is possible that this error is caused by
<a href="https://github.com/cp2k/cp2k/commit/e0901beed29adda72cbf38980a9f07c76e87032d" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en&q=https://github.com/cp2k/cp2k/commit/e0901beed29adda72cbf38980a9f07c76e87032d&source=gmail&ust=1661119339755000&usg=AOvVaw3-KDgiME9xgUFHhQje9FZB">
a bug</a> in the CP2K version 7.1 which you are using. That bug has been fixed in newer CP2K versions.<u></u><u></u></span></p>
<p class="MsoNormal"><span lang="EN-GB"><u></u> <u></u></span></p>
<p class="MsoNormal"><span lang="EN-GB">Best<u></u><u></u></span></p>
<p class="MsoNormal"><span lang="EN-GB"><u></u> <u></u></span></p>
<p class="MsoNormal"><span lang="EN-GB">Matthias<u></u><u></u></span></p></div></div><div lang="DE" link="blue" vlink="purple" style="word-wrap:break-word"><div>
<p class="MsoNormal"><span lang="EN-GB"><u></u> <u></u></span></p>
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<p class="MsoNormal" style="margin-left:35.4pt"><b>Von:</b> <a href data-email-masked rel="nofollow">cp...@googlegroups.com</a> <<a href data-email-masked rel="nofollow">cp...@googlegroups.com</a>>
<b>Im Auftrag von </b><a href data-email-masked rel="nofollow">mdsimula...@gmail.com</a><br>
<b>Gesendet:</b> Samstag, 20. August 2022 18:16<br>
<b>An:</b> cp2k <<a href data-email-masked rel="nofollow">cp...@googlegroups.com</a>><br>
<b>Betreff:</b> [CP2K:17518] UZH potentials and basis - CPASSERT failed<u></u><u></u></p>
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<p class="MsoNormal" style="margin-left:35.4pt"><u></u> <u></u></p>
<p class="MsoNormal" style="margin-left:35.4pt">Hi <u></u><u></u></p>
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<p class="MsoNormal" style="margin-left:35.4pt"><u></u> <u></u></p>
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<p class="MsoNormal" style="margin-left:35.4pt">I'm trying to use the BASIS_MOLOPT_UZH and POTENTIAL_UZH for a CuO system.<u></u><u></u></p>
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<p class="MsoNormal" style="margin-left:35.4pt"><u></u> <u></u></p>
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<p class="MsoNormal" style="margin-left:35.4pt">My inputs and outputs are attached.<u></u><u></u></p>
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<p class="MsoNormal" style="margin-left:35.4pt"><u></u> <u></u></p>
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<p class="MsoNormal" style="margin-left:35.4pt">I am getting a CPASSERT failed error in "atom_utils.F:2198".<u></u><u></u></p>
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<p class="MsoNormal" style="margin-left:35.4pt"><u></u> <u></u></p>
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<p class="MsoNormal" style="margin-left:35.4pt">Any ideas on what's going on and a possible fix?<u></u><u></u></p>
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<p class="MsoNormal" style="margin-left:35.4pt"><u></u> <u></u></p>
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<p class="MsoNormal" style="margin-left:35.4pt">Thanks,<u></u><u></u></p>
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<p class="MsoNormal" style="margin-left:35.4pt">Frank<u></u><u></u></p>
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