I recompiled with spglib and Sirius deactivated and it works now.<br /><br /><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Wednesday, 9 July 2025 at 14:44:44 UTC+2 Thibaut Véry 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;"><div>Thank you for your feedback.</div><div><br></div><div>The error comes from <span style="font-family:monospace"><span style="color:rgb(0,0,0);background-color:rgb(255,255,255)">create_cp2k_root_section</span></span></div><div><span style="font-family:monospace"><span style="color:rgb(0,0,0);background-color:rgb(255,255,255)">That's the only trace I have.</span></span></div><div><span style="font-family:monospace"><span style="color:rgb(0,0,0);background-color:rgb(255,255,255)"><br></span></span></div><div><span style="font-family:monospace"><span style="color:rgb(0,0,0);background-color:rgb(255,255,255)">I tried to remove parts of the input and even an empty input file create.</span></span></div><div>The problem also appears with some input files in the regression tests.</div><div><br></div><div>I suppose it is a compilation problem then.</div><div><br></div><br><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Tuesday, 8 July 2025 at 15:04:12 UTC+2 Krack Matthias 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"> <div lang="en-CH" link="blue" vlink="purple" style="word-wrap:break-word"> <div> <p class="MsoNormal"><span lang="DE-CH" style="font-size:11.0pt">Hi<u></u><u></u></span></p> <p class="MsoNormal"><span lang="DE-CH" style="font-size:11.0pt"><u></u> <u></u></span></p> <p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt">If there is a traceback printed, then you can possibly get a hint from the calling routine. Otherwise, I have no better suggestion than to comment input blocks until the error disappears. That’s the approach I use in such cases to narrow down the error location.<u></u><u></u></span></p> <p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt"><u></u> <u></u></span></p> <p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt">HTH<u></u><u></u></span></p> <p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt"><u></u> <u></u></span></p> <p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt">Matthias<u></u><u></u></span></p> <p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt"><u></u> <u></u></span></p> <div> <div> <div></div></div></div></div></div><div lang="en-CH" link="blue" vlink="purple" style="word-wrap:break-word"><div><div><div><div> <div style="border:none;border-top:solid #b5c4df 1.0pt;padding:3.0pt 0cm 0cm 0cm"> <p class="MsoNormal" style="margin-right:0cm;margin-bottom:12.0pt;margin-left:36.0pt"> <b><span style="color:black">From: </span></b><span style="color:black"><a rel="nofollow">cp...@googlegroups.com</a> <<a rel="nofollow">cp...@googlegroups.com</a>> on behalf of Thibaut Véry <<a rel="nofollow">tve...@gmail.com</a>><br> <b>Date: </b>Tuesday, 8 July 2025 at 14:49<br> <b>To: </b>cp2k <<a rel="nofollow">cp...@googlegroups.com</a>><br> <b>Subject: </b>[CP2K:21622] CPASSERT failed in input_enumeration_types.F<u></u><u></u></span></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt">Hello,<u></u><u></u></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt"><u></u> <u></u></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt">I have an input file which creates a CPASSERT error in input/input_enumeration_types.F:79<u></u><u></u></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt"><u></u> <u></u></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt">I use CP2K 2025.1 compiled with gcc/11.4.1 and intel-mpi/2021.9.<u></u><u></u></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt">I used cp2klint to check if the input file is correct and I got no error. Also I tried to convert it to json and I receive the same error<u></u><u></u></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt"><u></u> <u></u></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt">Is there a way to see which keyword is the problem?<u></u><u></u></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt"><u></u> <u></u></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt">It is not possible for me to display publicly the input file.<u></u><u></u></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt"><u></u> <u></u></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt">Best regards<u></u><u></u></p> </div> </div></div></div></div></div><div lang="en-CH" link="blue" vlink="purple" style="word-wrap:break-word"><div><div><div><div><p class="MsoNormal" style="margin-left:36.0pt">-- <br> You received this message because you are subscribed to the Google Groups "cp2k" group.<br> To unsubscribe from this group and stop receiving emails from it, send an email to <a rel="nofollow">cp2k+uns...@googlegroups.com</a>.<br> To view this discussion visit <a href="https://groups.google.com/d/msgid/cp2k/03f43754-ce5e-4f42-827c-a49fc94c0663n%40googlegroups.com?utm_medium=email&utm_source=footer" rel="nofollow" target="_blank" data-saferedirecturl="https://www.google.com/url?hl=en-GB&q=https://groups.google.com/d/msgid/cp2k/03f43754-ce5e-4f42-827c-a49fc94c0663n%2540googlegroups.com?utm_medium%3Demail%26utm_source%3Dfooter&source=gmail&ust=1752155369386000&usg=AOvVaw24ViPTpqDJnfGE5QaZ6Cii"> https://groups.google.com/d/msgid/cp2k/03f43754-ce5e-4f42-827c-a49fc94c0663n%40googlegroups.com</a>.<u></u><u></u></p> </div> </div> </div> </div> </div> </blockquote></div></blockquote></div> <p></p> -- <br /> You received this message because you are subscribed to the Google Groups "cp2k" group.<br /> 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>.<br /> To view this discussion visit <a href="https://groups.google.com/d/msgid/cp2k/506b5ff9-3e01-4f56-8168-cdef76a61589n%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/506b5ff9-3e01-4f56-8168-cdef76a61589n%40googlegroups.com</a>.<br />