<div dir="ltr">The output file gives a message: "CPASSERT failed", which as far as I understand could mean anything.</div> <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">hutter@chem.uzh.ch</a>> wrote: </div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Hi there should be more information in your output file that points to the source of the error. regards JH ________________________________________ 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>> Sent: Friday, August 4, 2023 10:49 AM To: cp2k Subject: [CP2K:19173] using .cif Hi all, I am new to cp2k and have some questions. I am trying to use TOPOLOGY with a .cif file, which I got from the materials project. However the running process is aborted ( see attachment). How can I fix that? Thanks! -- You received this message because you are subscribed to the Google Groups "cp2k" group. To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k%2Bunsubscribe@googlegroups.com" target="_blank">cp2k+unsubscribe@googlegroups.com</a><mailto:<a href="mailto:cp2k%2Bunsubscribe@googlegroups.com" target="_blank">cp2k+unsubscribe@googlegroups.com</a>>. To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/4522be66-817d-4a35-b4e6-a58f40221e19n%40googlegroups.com" rel="noreferrer" target="_blank">https://groups.google.com/d/msgid/cp2k/4522be66-817d-4a35-b4e6-a58f40221e19n%40googlegroups.com</a><<a href="https://groups.google.com/d/msgid/cp2k/4522be66-817d-4a35-b4e6-a58f40221e19n%40googlegroups.com?utm_medium=email&utm_source=footer" rel="noreferrer" target="_blank">https://groups.google.com/d/msgid/cp2k/4522be66-817d-4a35-b4e6-a58f40221e19n%40googlegroups.com?utm_medium=email&utm_source=footer</a>>. -- You received this message because you are subscribed to a topic in the Google Groups "cp2k" group. To unsubscribe from this topic, visit <a href="https://groups.google.com/d/topic/cp2k/u-jQjUw1Kjk/unsubscribe" rel="noreferrer" target="_blank">https://groups.google.com/d/topic/cp2k/u-jQjUw1Kjk/unsubscribe</a>. To unsubscribe from this group and all its topics, send an email to <a href="mailto:cp2k%2Bunsubscribe@googlegroups.com" target="_blank">cp2k+unsubscribe@googlegroups.com</a>. To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/ZR0P278MB0759432E92AA48D8C18DD8589F09A%40ZR0P278MB0759.CHEP278.PROD.OUTLOOK.COM" rel="noreferrer" target="_blank">https://groups.google.com/d/msgid/cp2k/ZR0P278MB0759432E92AA48D8C18DD8589F09A%40ZR0P278MB0759.CHEP278.PROD.OUTLOOK.COM</a>. </blockquote></div> -- You received this message because you are subscribed to the Google Groups "cp2k" group. To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com">cp2k+unsubscribe@googlegroups.com</a>. To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/CAKs_Pi%3D0HjpsyR89Mp3WOtzjq6gohEHtfo%3D96HRQEEtZcVR41g%40mail.gmail.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/CAKs_Pi%3D0HjpsyR89Mp3WOtzjq6gohEHtfo%3D96HRQEEtZcVR41g%40mail.gmail.com</a>.