<div dir="ltr">Hi. Theo<br><br>I think it is best if you provide more specific detail regarding what are you trying to do, what is your input, what is the thing you have done, and what is the return output so perhaps the discussion can start smoothly. I recommend you to check this documentation, <br><br><a href="https://manual.cp2k.org/trunk/CP2K_INPUT.html">https://manual.cp2k.org/trunk/CP2K_INPUT.html</a><br><br>Best<br>MuS</div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Mon, Aug 7, 2023 at 11:33 AM Teodora Kirova <<a href="mailto:tvkirova@gmail.com">tvkirova@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr">The output file gives a message: "CPASSERT failed", which as far as I understand could mean anything.</div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Fri, Aug 4, 2023 at 12:03 PM Jürg Hutter <<a href="mailto:hutter@chem.uzh.ch" target="_blank">hutter@chem.uzh.ch</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Hi<br>
<br>
there should be more information in your output file that points to the source of the error.<br>
<br>
regards<br>
JH<br>
<br>
________________________________________<br>
From: <a href="mailto:cp2k@googlegroups.com" target="_blank">cp2k@googlegroups.com</a> <<a href="mailto:cp2k@googlegroups.com" target="_blank">cp2k@googlegroups.com</a>> on behalf of Teodora Kirova <<a href="mailto:tvkirova@gmail.com" target="_blank">tvkirova@gmail.com</a>><br>
Sent: Friday, August 4, 2023 10:49 AM<br>
To: cp2k<br>
Subject: [CP2K:19173] using .cif<br>
<br>
Hi all, I am new to cp2k and have some questions.<br>
I am trying to use TOPOLOGY with a .cif file, which I got from the materials project.<br>
However the running process is aborted ( see attachment). How can I fix that?<br>
Thanks!<br>
<br>
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