<div>Hi Hossein,</div><div><br /></div><div>I haven't tested with cuda yet, but https://github.com/jpoto/cp2k/blob/jvp_update_sirius/tools/toolchain/scripts/stage8/install_sirius.sh should work <br /></div><br /><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Tuesday, September 3, 2024 at 3:09:07 PM 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 Hossein<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">The pull request for SIRIUS 7.6.0 in CP2K is still work in progress, see </span><span lang="DE-CH" style="font-size:11.0pt"><a href="https://github.com/cp2k/cp2k/pull/3651" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en&q=https://github.com/cp2k/cp2k/pull/3651&source=gmail&ust=1725620835001000&usg=AOvVaw3pnty0l3fbWzVlKR27Vgvw"><span lang="EN-US">https://github.com/cp2k/cp2k/pull/3651</span></a></span><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">It seems that PR shows similar problems.<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">Best<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 href data-email-masked rel="nofollow">cp...@googlegroups.com</a> <<a href data-email-masked rel="nofollow">cp...@googlegroups.com</a>> on behalf of Hossein Mirhosseini <<a href data-email-masked rel="nofollow">mirho...@gmail.com</a>><br> <b>Date: </b>Sunday, 1 September 2024 at 13:46<br> <b>To: </b>cp2k <<a href data-email-masked rel="nofollow">cp...@googlegroups.com</a>><br> <b>Subject: </b>[CP2K:20647] Compiling CP2K2024.2 with SIRIUS 7.6.0<u></u><u></u></span></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt">Hi,<u></u><u></u></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt">I am trying to compline CP2K2024.2 with the latest version of SIRIUS (7.6.0). To do so, I modified cp2k/tools/toolchain/scripts/stage8/install_sirius.sh<u></u><u></u></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt">and added the following lines:<u></u><u></u></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt">sirius_ver="7.6.0"<br> sirius_sha256="e424206fecb35bb2082b5c87f0865a9536040e984b88b041e6f7d531f8a65b20"<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">SIRIUS 7.6.0 is installed with no issue (the log file is attached). However, when I run make command for "psmp" version, it stopped with some errors ( undefined reference to ...) regarding SIRIUS (the log file is attached).<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 am wondering if it is possible to compile CP2K with a SIRIUS version other than the "default" version. If so, what I am doing is correct or should I modify some other files as well?<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">Thanks for your support!<u></u><u></u></p> </div> <div> <p class="MsoNormal" style="margin-left:36.0pt">Hossein<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 on the web visit <a href="https://groups.google.com/d/msgid/cp2k/a1a017d8-1725-4fff-81df-4107c21bdc2dn%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/a1a017d8-1725-4fff-81df-4107c21bdc2dn%2540googlegroups.com?utm_medium%3Demail%26utm_source%3Dfooter&source=gmail&ust=1725620835001000&usg=AOvVaw1WTfWP7Ow6meLJ1H9sFzZi"> https://groups.google.com/d/msgid/cp2k/a1a017d8-1725-4fff-81df-4107c21bdc2dn%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 on the web visit <a href="https://groups.google.com/d/msgid/cp2k/cfe0d090-4ae0-47b0-945c-f95e5940ad2bn%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/cfe0d090-4ae0-47b0-945c-f95e5940ad2bn%40googlegroups.com</a>.<br />