Hello - I am attempting to perform an all-electron calculation in CP2K by changing the <b style="box-sizing: inherit; color: rgb(29, 28, 29); font-family: Slack-Lato, Slack-Fractions, appleLogo, sans-serif; font-size: 15px; font-variant-ligatures: common-ligatures; background-color: rgb(248, 248, 248);">POTENTIAL keyword to <b style="box-sizing: inherit; color: rgb(29, 28, 29); font-family: Slack-Lato, Slack-Fractions, appleLogo, sans-serif; font-size: 15px; font-variant-ligatures: common-ligatures; background-color: rgb(248, 248, 248);">ALL and applying the Gaussian and Augmented Plane Waves (GAPW) method. While the calculations initially run without issue, they consistently terminate with an error that is both frustrating and difficult to resolve...<span aria-label="" style="box-sizing: inherit; height: 8px; display: block; color: rgb(29, 28, 29); font-family: Slack-Lato, Slack-Fractions, appleLogo, sans-serif; font-size: 15px; font-variant-ligatures: common-ligatures; background-color: rgb(248, 248, 248);"><span aria-label="" style="box-sizing: inherit; height: 8px; display: block; color: rgb(29, 28, 29); font-family: Slack-Lato, Slack-Fractions, appleLogo, sans-serif; font-size: 15px; font-variant-ligatures: common-ligatures; background-color: rgb(248, 248, 248);">*******************************************************************************<br style="box-sizing: inherit; color: rgb(29, 28, 29); font-family: Slack-Lato, Slack-Fractions, appleLogo, sans-serif; font-size: 15px; font-variant-ligatures: common-ligatures; background-color: rgb(248, 248, 248);" /> * ___ *<br style="box-sizing: inherit; color: rgb(29, 28, 29); font-family: Slack-Lato, Slack-Fractions, appleLogo, sans-serif; font-size: 15px; font-variant-ligatures: common-ligatures; background-color: rgb(248, 248, 248);" /> * / \ *<br style="box-sizing: inherit; color: rgb(29, 28, 29); font-family: Slack-Lato, Slack-Fractions, appleLogo, sans-serif; font-size: 15px; font-variant-ligatures: common-ligatures; background-color: rgb(248, 248, 248);" /> * [ABORT] *<br style="box-sizing: inherit; color: rgb(29, 28, 29); font-family: Slack-Lato, Slack-Fractions, appleLogo, sans-serif; font-size: 15px; font-variant-ligatures: common-ligatures; background-color: rgb(248, 248, 248);" /> * \___/ CPASSERT failed *<br style="box-sizing: inherit; color: rgb(29, 28, 29); font-family: Slack-Lato, Slack-Fractions, appleLogo, sans-serif; font-size: 15px; font-variant-ligatures: common-ligatures; background-color: rgb(248, 248, 248);" /> * | *<br style="box-sizing: inherit; color: rgb(29, 28, 29); font-family: Slack-Lato, Slack-Fractions, appleLogo, sans-serif; font-size: 15px; font-variant-ligatures: common-ligatures; background-color: rgb(248, 248, 248);" /> * O/| *<br style="box-sizing: inherit; color: rgb(29, 28, 29); font-family: Slack-Lato, Slack-Fractions, appleLogo, sans-serif; font-size: 15px; font-variant-ligatures: common-ligatures; background-color: rgb(248, 248, 248);" /> * /| | *<br style="box-sizing: inherit; color: rgb(29, 28, 29); font-family: Slack-Lato, Slack-Fractions, appleLogo, sans-serif; font-size: 15px; font-variant-ligatures: common-ligatures; background-color: rgb(248, 248, 248);" /> * / \ task_list_methods.F:180 *<br style="box-sizing: inherit; color: rgb(29, 28, 29); font-family: Slack-Lato, Slack-Fractions, appleLogo, sans-serif; font-size: 15px; font-variant-ligatures: common-ligatures; background-color: rgb(248, 248, 248);" /> ******************************************************************************* At the beginning I thought It could be due to the processors grouping, so I reduced the <span style="box-sizing: inherit; font-variant-ligatures: none; white-space-collapse: preserve; overflow-wrap: break-word; word-break: normal; tab-size: 4; border-radius: 3px; padding: 2px 3px 1px; font-size: 12px; line-height: 1.50001; font-family: Monaco, Menlo, Consolas, "Courier New", monospace;">NGRIDSkeyword but I'm getting the same error again and again.<div> </div><div>I attach the CP2K input and slurm files.</div><div> </div><div>Thanks a lot in advance!</div><div> </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 visit <a href="https://groups.google.com/d/msgid/cp2k/58ecc9dc-9ed7-40d4-ad47-7df2fc69b2e3n%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/58ecc9dc-9ed7-40d4-ad47-7df2fc69b2e3n%40googlegroups.com</a>.