<div>Thank you Dr. Krack,</div><div><br /></div><div>I will give it a try! <br /><br />Michela</div><br /><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Wednesday, July 16, 2025 at 12:01:08 PM UTC-4 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="EN-US" style="font-size:11.0pt;color:#212121">Hi Michela</span><span style="color:#212121"><u></u><u></u></span></p> <p class="MsoNormal" style="font-variant-caps:normal;text-align:start;word-spacing:0px"> <span lang="EN-US" style="font-size:11.0pt;color:#212121"> </span><span style="color:#212121"><u></u><u></u></span></p> <p class="MsoNormal" style="font-variant-caps:normal;text-align:start;word-spacing:0px"> <span lang="EN-US" style="font-size:11.0pt;color:#212121">You can try to activate the<span> </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" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en&q=https://manual.cp2k.org/trunk/CP2K_INPUT/GLOBAL.html%23CP2K_INPUT.GLOBAL.TRACE&source=gmail&ust=1752782603162000&usg=AOvVaw3FLyNPHlRLDzgF14Ov_51A"><span style="color:purple">TRACE input key</span></a><span> </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"><u></u><u></u></span></p> <p class="MsoNormal" style="font-variant-caps:normal;text-align:start;word-spacing:0px"> <span lang="EN-US" style="font-size:11.0pt;color:#212121"> </span><span style="color:#212121"><u></u><u></u></span></p> <p class="MsoNormal" style="font-variant-caps:normal;text-align:start;word-spacing:0px"> <span lang="EN-US" style="font-size:11.0pt;color:#212121">HTH</span><span style="color:#212121"><u></u><u></u></span></p> <p class="MsoNormal" style="font-variant-caps:normal;text-align:start;word-spacing:0px"> <span lang="EN-US" style="font-size:11.0pt;color:#212121"> </span><span style="color:#212121"><u></u><u></u></span></p> <p class="MsoNormal" style="font-variant-caps:normal;text-align:start;word-spacing:0px"> <span lang="EN-US" style="font-size:11.0pt;color:#212121">Matthias</span><span style="color:#212121"><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="DE-CH" 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 href data-email-masked rel="nofollow">cp...@googlegroups.com</a> <<a href data-email-masked rel="nofollow">cp...@googlegroups.com</a>> on behalf of Michela Benazzi <<a href data-email-masked rel="nofollow">bnzmi...@gmail.com</a>><br> <b>Date: </b>Wednesday, 16 July 2025 at 17:31<br> <b>To: </b>cp2k <<a href data-email-masked rel="nofollow">cp...@googlegroups.com</a>><br> <b>Subject: </b>[CP2K:21665] Implementation Suggestion: job not running due to some SLURM parameters<u></u><u></u></span></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt">Good morning,<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 recently noticed that I was not allocating nearly enough memory for my jobs - (25 GB allocated, 32 GB were actually being used).<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">Those jobs failed without any trace - no output, restart, log, error files at all.<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 any way (or any way to implement it if that does not exist yet) to add a feature where:<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">1. The job outputs information until memory capacity is failed<u></u><u></u></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<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">Thank you!<br> <br> Michela<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 href data-email-masked rel="nofollow">cp2k+uns...@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" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en&q=https://groups.google.com/d/msgid/cp2k/d4c2d7a3-fb48-4c39-b185-6ebfa692aa35n%2540googlegroups.com?utm_medium%3Demail%26utm_source%3Dfooter&source=gmail&ust=1752782603162000&usg=AOvVaw1fR9qASDD0vxhD-8jjjY8w"> https://groups.google.com/d/msgid/cp2k/d4c2d7a3-fb48-4c39-b185-6ebfa692aa35n%40googlegroups.com</a>.<u></u><u></u></p> </div> </div> </div> </div> </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/d7d84123-e95c-4294-9e6f-b4e0eb6d5a7an%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/d7d84123-e95c-4294-9e6f-b4e0eb6d5a7an%40googlegroups.com</a>.<br />