<html xmlns:o="urn:schemas-microsoft-com:office:office" xmlns:w="urn:schemas-microsoft-com:office:word" xmlns:m="http://schemas.microsoft.com/office/2004/12/omml" xmlns="http://www.w3.org/TR/REC-html40"> <head> <meta http-equiv="Content-Type" content="text/html; charset=us-ascii"> <meta name="Generator" content="Microsoft Word 15 (filtered medium)"> <style></style> </head> <body lang="en-CH" link="blue" vlink="purple" style="word-wrap:break-word"> <div class="WordSection1"> <p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt;color:#212121">Hi Michela</span><span style="color:#212121"><o:p></o:p></span></p> <p class="MsoNormal" style="caret-color: rgb(33, 33, 33);font-variant-caps: normal;orphans: auto;text-align:start;widows: auto;-webkit-text-stroke-width: 0px;word-spacing:0px"> <span lang="EN-US" style="font-size:11.0pt;color:#212121"> </span><span style="color:#212121"><o:p></o:p></span></p> <p class="MsoNormal" style="caret-color: rgb(33, 33, 33);font-variant-caps: normal;orphans: auto;text-align:start;widows: auto;-webkit-text-stroke-width: 0px;word-spacing:0px"> <span lang="EN-US" style="font-size:11.0pt;color:#212121">You can try to activate the<span class="apple-converted-space"> </span><a href="https://manual.cp2k.org/trunk/CP2K_INPUT/GLOBAL.html#CP2K_INPUT.GLOBAL.TRACE" title="https://manual.cp2k.org/trunk/CP2K_INPUT/GLOBAL.html#CP2K_INPUT.GLOBAL.TRACE"><span style="color:purple">TRACE input key</span></a><span class="apple-converted-space"> </span>in the &GLOBAL section (or TRACE_MASTER if the output becomes messy because of the large number of MPI ranks).</span><span style="color:#212121"><o:p></o:p></span></p> <p class="MsoNormal" style="caret-color: rgb(33, 33, 33);font-variant-caps: normal;orphans: auto;text-align:start;widows: auto;-webkit-text-stroke-width: 0px;word-spacing:0px"> <span lang="EN-US" style="font-size:11.0pt;color:#212121"> </span><span style="color:#212121"><o:p></o:p></span></p> <p class="MsoNormal" style="caret-color: rgb(33, 33, 33);font-variant-caps: normal;orphans: auto;text-align:start;widows: auto;-webkit-text-stroke-width: 0px;word-spacing:0px"> <span lang="EN-US" style="font-size:11.0pt;color:#212121">HTH</span><span style="color:#212121"><o:p></o:p></span></p> <p class="MsoNormal" style="caret-color: rgb(33, 33, 33);font-variant-caps: normal;orphans: auto;text-align:start;widows: auto;-webkit-text-stroke-width: 0px;word-spacing:0px"> <span lang="EN-US" style="font-size:11.0pt;color:#212121"> </span><span style="color:#212121"><o:p></o:p></span></p> <p class="MsoNormal" style="caret-color: rgb(33, 33, 33);font-variant-caps: normal;orphans: auto;text-align:start;widows: auto;-webkit-text-stroke-width: 0px;word-spacing:0px"> <span lang="EN-US" style="font-size:11.0pt;color:#212121">Matthias</span><span style="color:#212121"><o:p></o:p></span></p> <p class="MsoNormal"><span lang="DE-CH" style="font-size:11.0pt;mso-fareast-language:EN-US"><o:p> </o:p></span></p> <p class="MsoNormal"><span lang="DE-CH" style="font-size:11.0pt;mso-fareast-language:EN-US"><o:p> </o:p></span></p> <div id="mail-editor-reference-message-container"> <div> <div> <div style="border:none;border-top:solid #B5C4DF 1.0pt;padding:3.0pt 0cm 0cm 0cm"> <p class="MsoNormal" style="mso-margin-top-alt:0cm;margin-right:0cm;margin-bottom:12.0pt;margin-left:36.0pt"> <b><span style="color:black">From: </span></b><span style="color:black">cp2k@googlegroups.com <cp2k@googlegroups.com> on behalf of Michela Benazzi <bnzmichela@gmail.com><br> <b>Date: </b>Wednesday, 16 July 2025 at 17:31<br> <b>To: </b>cp2k <cp2k@googlegroups.com><br> <b>Subject: </b>[CP2K:21665] Implementation Suggestion: job not running due to some SLURM parameters<o:p></o:p></span></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt">Good morning,<o:p></o:p></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt"><o:p> </o:p></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt">I have recently noticed that I was not allocating nearly enough memory for my jobs - (25 GB allocated, 32 GB were actually being used).<o:p></o:p></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt"><o:p> </o:p></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt">Those jobs failed without any trace - no output, restart, log, error files at all.<o:p></o:p></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt"><o:p> </o:p></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt">Is there any way (or any way to implement it if that does not exist yet) to add a feature where:<o:p></o:p></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt"><o:p> </o:p></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt">1. The job outputs information until memory capacity is failed<o:p></o:p></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt">2. There is an error message explaining the cause in the .out or .err files<o:p></o:p></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt"><o:p> </o:p></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt">Thank you!<br> <br> Michela<o:p></o:p></p> </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 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/d4c2d7a3-fb48-4c39-b185-6ebfa692aa35n%40googlegroups.com?utm_medium=email&utm_source=footer"> https://groups.google.com/d/msgid/cp2k/d4c2d7a3-fb48-4c39-b185-6ebfa692aa35n%40googlegroups.com</a>.<o:p></o:p></p> </div> </div> </div> </div> </body> </html> <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/ZR2P278MB114663FC4C11B4D42A9AE93FF456A%40ZR2P278MB1146.CHEP278.PROD.OUTLOOK.COM?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/ZR2P278MB114663FC4C11B4D42A9AE93FF456A%40ZR2P278MB1146.CHEP278.PROD.OUTLOOK.COM</a>.<br />