<div dir="ltr"><div>Matthias many thanks for your answer!</div><div><br></div><div>Running <i>make -j 40 ARCH=local_cuda VERSION="psmp" TESTOPTS=’--mpiexec srun’ test</i></div><div>eventually ends up with <br></div><div><i>Discovering programs ...</i><br><i>make: *** No rule to make target 'srun’'. Stop.</i><br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Thu, Jan 26, 2023 at 3:14 PM Krack Matthias <<a href="mailto:matthias.krack@psi.ch">matthias.krack@psi.ch</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div class="msg5032667499536484853"> <div style="overflow-wrap: break-word;" lang="en-CH"> <div class="m_5032667499536484853WordSection1"> <p class="MsoNormal"><span style="font-size:11pt" lang="EN-US">Hi<u></u><u></u></span></p> <p class="MsoNormal"><span style="font-size:11pt" lang="EN-US"><u></u> <u></u></span></p> <p class="MsoNormal"><span style="font-size:11pt" lang="EN-US">Did you try already to use “srun” instead of “mpiexec” with slurm?<u></u><u></u></span></p> <p class="MsoNormal"><span style="font-size:11pt" lang="EN-US"><u></u> <u></u></span></p> <p class="MsoNormal"><span style="font-size:11pt;font-family:Consolas">make -</span><span style="font-size:11pt;font-family:Consolas" lang="EN-US">j 40</span><span style="font-size:11pt;font-family:Consolas"> ARCH=local_cuda VERSION=psmp </span><span style="font-size:11pt;font-family:Consolas" lang="EN-US">TESTOPTS=’--mpiexec srun’ </span><span style="font-size:11pt;font-family:Consolas">test<u></u><u></u></span></p> <p class="MsoNormal"><span style="font-size:11pt"><u></u> <u></u></span></p> <div style="border-color:rgb(181,196,223) currentcolor currentcolor;border-style:solid none none;border-width:1pt medium medium;padding:3pt 0cm 0cm"> <p class="MsoNormal" style="margin-right:0cm;margin-bottom:12pt;margin-left:36pt"> <b><span style="font-size:12pt;color:black">From: </span></b><span style="font-size:12pt;color:black"><a href="mailto:cp2k@googlegroups.com" target="_blank">cp2k@googlegroups.com</a> <<a href="mailto:cp2k@googlegroups.com" target="_blank">cp2k@googlegroups.com</a>> on behalf of Sebastian Muraru <<a href="mailto:sebmuraru@gmail.com" target="_blank">sebmuraru@gmail.com</a>><br> <b>Date: </b>Thursday, 26 January 2023 at 13:54<br> <b>To: </b>cp2k <<a href="mailto:cp2k@googlegroups.com" target="_blank">cp2k@googlegroups.com</a>><br> <b>Subject: </b>[CP2K:18388] Cp2K SLURM Install and Test<u></u><u></u></span></p> </div> <div> <p class="MsoNormal" style="margin-left:36pt"><span style="font-size:11pt">Hi,<u></u><u></u></span></p> </div> <div> <p class="MsoNormal" style="margin-left:36pt"><span style="font-size:11pt"><u></u> <u></u></span></p> </div> <div> <p class="MsoNormal" style="margin-left:36pt"><span style="font-size:11pt">I have now attempted to install cp2k on a slurm HPC with K40ms.<u></u><u></u></span></p> </div> <div> <p class="MsoNormal" style="margin-left:36pt"><span style="font-size:11pt">I used:<u></u><u></u></span></p> </div> <div> <p class="MsoNormal" style="margin-left:36pt"><i><span style="font-size:11pt">./install_cp2k_toolchain.sh --with-openmpi=system --with-openblas --enable-cuda --gpu-ver=K40 --with-cmake=system --with-libxc --with-pexsi=no --with-ptscotch=no --with-superlu=no --with-quip --with-plumed --with-elpa=no --with-sirius=no --with-libxsmm --with-fftw=system </span></i><span style="font-size:11pt"><u></u><u></u></span></p> </div> <div> <p class="MsoNormal" style="margin-left:36pt"><span style="font-size:11pt"><u></u> <u></u></span></p> </div> <div> <p class="MsoNormal" style="margin-left:36pt"><span style="font-size:11pt">Also, using <u></u><u></u></span></p> </div> <div> <p class="MsoNormal" style="margin-left:36pt"><i><span style="font-size:11pt">---------------------------- Modules -------------------------------------<br> Currently Loaded Modulefiles:<br> 1) libraries/cuda-11.4 2) mpi/openmpi-x86_64 3) pmi/pmix-x86_64 </span></i><span style="font-size:11pt"><u></u><u></u></span></p> </div> <div> <p class="MsoNormal" style="margin-left:36pt"><span style="font-size:11pt"><u></u> <u></u></span></p> </div> <div> <p class="MsoNormal" style="margin-left:36pt"><span style="font-size:11pt">Installation works fine, no errors reported for local_cuda psmp.<u></u><u></u></span></p> </div> <div> <p class="MsoNormal" style="margin-left:36pt"><span style="font-size:11pt"><u></u> <u></u></span></p> </div> <div> <p class="MsoNormal" style="margin-left:36pt"><span style="font-size:11pt">Then I tried the testing:<u></u><u></u></span></p> </div> <div> <p class="MsoNormal" style="margin-left:36pt"><i><span style="font-size:11pt">make -j 40 ARCH=local_cuda VERSION=psmp test</span></i><span style="font-size:11pt"><u></u><u></u></span></p> </div> <div> <p class="MsoNormal" style="margin-left:36pt"><span style="font-size:11pt">I guess it never properly starts. I have attached the output I get in a text file here.<u></u><u></u></span></p> </div> <div> <p class="MsoNormal" style="margin-left:36pt"><span style="font-size:11pt"><u></u> <u></u></span></p> </div> <div> <p class="MsoNormal" style="margin-left:36pt"><span style="font-size:11pt">Could anyone highlight a possible cause? Is it in the manner I might have used "salloc" / "srun" on SLURM?<u></u><u></u></span></p> </div> <div> <p class="MsoNormal" style="margin-left:36pt"><span style="font-size:11pt"><u></u> <u></u></span></p> </div> <div> <p class="MsoNormal" style="margin-left:36pt"><span style="font-size:11pt">Thanks!<u></u><u></u></span></p> </div> <div> <p class="MsoNormal" style="margin-left:36pt"><span style="font-size:11pt"><u></u> <u></u></span></p> </div> <p class="MsoNormal" style="margin-left:36pt"><span style="font-size:11pt">-- <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 </span><a href="mailto:cp2k+unsubscribe@googlegroups.com" target="_blank"><span style="font-size:11pt">cp2k+unsubscribe@googlegroups.com</span></a><span style="font-size:11pt">.<br> To view this discussion on the web visit </span><a href="https://groups.google.com/d/msgid/cp2k/0afb597f-359d-4c1d-bece-56286386ae2cn%40googlegroups.com?utm_medium=email&utm_source=footer" target="_blank"><span style="font-size:11pt">https://groups.google.com/d/msgid/cp2k/0afb597f-359d-4c1d-bece-56286386ae2cn%40googlegroups.com</span></a><span style="font-size:11pt">.<u></u><u></u></span></p> </div> </div> <p></p> -- <br> You received this message because you are subscribed to a topic in the Google Groups "cp2k" group.<br> To unsubscribe from this topic, visit <a href="https://groups.google.com/d/topic/cp2k/hkGaZXQuF1c/unsubscribe" target="_blank">https://groups.google.com/d/topic/cp2k/hkGaZXQuF1c/unsubscribe</a>.<br> To unsubscribe from this group and all its topics, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com" target="_blank">cp2k+unsubscribe@googlegroups.com</a>.<br> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/ZRAP278MB08279262CD754217B8C29B14F4CF9%40ZRAP278MB0827.CHEP278.PROD.OUTLOOK.COM?utm_medium=email&utm_source=footer" target="_blank">https://groups.google.com/d/msgid/cp2k/ZRAP278MB08279262CD754217B8C29B14F4CF9%40ZRAP278MB0827.CHEP278.PROD.OUTLOOK.COM</a>.<br> </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/CACJ04HicsAgrGV-4%3DU59gG0R4J2SBBKZ4jzVXwj%3DrxZ8giRZ%3Dg%40mail.gmail.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/CACJ04HicsAgrGV-4%3DU59gG0R4J2SBBKZ4jzVXwj%3DrxZ8giRZ%3Dg%40mail.gmail.com</a>.<br />