<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=utf-8"> <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;mso-fareast-language:EN-US">By contrast to the Apple M1 psmp regression test, the corresponding ssmp test is not run continuously. I have synced the <a href="https://github.com/cp2k/cp2k/blob/master/arch/Darwin-gnu-arm64.ssmp">Apple M1 ssmp arch file</a> with the psmp one. An ssmp test run with that file showed no issues on my Apple M1 using 2 OpenMP threads. <o:p></o:p></span></p> <p class="MsoNormal"><span lang="EN-US" 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 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 Rashid Riboul <sastargetx@gmail.com><br> <b>Date: </b>Sunday, 23 June 2024 at 01:47<br> <b>To: </b>cp2k <cp2k@googlegroups.com><br> <b>Subject: </b>Re: [CP2K:20377] Possible Issue with Arch Files<o:p></o:p></span></p> </div> <p class="MsoNormal" style="mso-margin-top-alt:0cm;margin-right:0cm;margin-bottom:12.0pt;margin-left:36.0pt"> Ah; that fixed most of the failures actually. I still have 1 failed test and 8 wrong tests. I <i>am</i> attempting to install the SSMP version instead of the PSMP version. Would that be better? I figured that the PSMP version wouldn't be necessary for my case, but only because I don't plan on using this machine as an MPI node.</p> <div> <div> <p class="MsoNormal" style="margin-left:36.0pt">On Saturday, June 22, 2024 at 3:09:12<span style="font-family:"Arial",sans-serif"> </span>AM UTC-7 Krack Matthias wrote:</p> </div> <blockquote style="border:none;border-left:solid #CCCCCC 1.0pt;padding:0cm 0cm 0cm 6.0pt;margin-left:4.8pt;margin-top:5.0pt;margin-right:0cm;margin-bottom:5.0pt"> <div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:36.0pt"> <span lang="EN-US" style="font-size:11.0pt">The CP2K </span><a href="https://dashboard.cp2k.org/archive/darwin-gnu-arm64-psmp/index.html" target="_blank"><span lang="EN-US" style="font-size:11.0pt">Apple M1 tester</span></a><span style="font-size:11.0pt"> <span lang="EN-US">for the current CP2K development version shows no issues in the </span></span><a href="https://dashboard.cp2k.org/archive/darwin-gnu-arm64-psmp/commit_f86ddaf5246ecad147e5bc02d5d464ed5302d4d3.txt" target="_blank"><span lang="EN-US" style="font-size:11.0pt">log file</span></a><span lang="EN-US" style="font-size:11.0pt">.</span><o:p></o:p></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:36.0pt"> <span lang="EN-US" style="font-size:11.0pt">Did you follow all the instructions in the </span><a href="https://www.cp2k.org/howto:compile_on_macos" target="_blank"><span lang="EN-US" style="font-size:11.0pt">howto</span></a><span lang="EN-US" style="font-size:11.0pt">, like to deactivate brew’s clang based openmpi installation with “brew unlink open-mpi” to avoid any interference with the openmpi installation which is performed by the CP2K toolchain using the GNU compiler?</span><o:p></o:p></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:36.0pt"> <span lang="EN-US" style="font-size:11.0pt"> </span><o:p></o:p></p> </div> </div> <div> <div> <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:auto;margin-bottom:12.0pt;margin-left:72.0pt"> <b><span style="color:black">From: </span></b><span style="color:black"><span class="MsoHyperlink">cp...@googlegroups.com</span> <<span class="MsoHyperlink">cp...@googlegroups.com</span>> on behalf of Rashid Riboul <<span class="MsoHyperlink">sasta...@gmail.com</span>><br> <b>Date: </b>Saturday, 22 June 2024 at 08:25<br> <b>To: </b>cp2k <<span class="MsoHyperlink">cp...@googlegroups.com</span>><br> <b>Subject: </b>Re: [CP2K:20375] Possible Issue with Arch Files</span><o:p></o:p></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> I did, AND increased the ulimit size to 65 MB as well, but still got failures. I posted a pic of the summary after the test. From what I tested, the 4 wrong tests seem to occur if I use the Accelerate Framework as my BLAS/LAPACK libraries. If I use OPENBLAS, the 4 wrong tests don't occur, but I still get the same amount of failures.<o:p></o:p></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <o:p></o:p></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> Please let me know what other information I can give to help troubleshoot this issue.<o:p></o:p></p> </div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <o:p></o:p></p> <div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> On Thursday, June 20, 2024 at 8:26:08<span style="font-family:"Arial",sans-serif"> </span>AM UTC-7 Krack Matthias wrote:<o:p></o:p></p> </div> <blockquote style="border:none;border-left:solid #CCCCCC 1.0pt;padding:0cm 0cm 0cm 6.0pt;margin-left:4.8pt;margin-top:5.0pt;margin-right:0cm;margin-bottom:5.0pt"> <div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span lang="EN-US" style="font-size:11.0pt">Did you increase the OMP_STACKSIZE to 16M or more, e.g. with </span><span lang="EN-US" style="font-size:11.0pt;font-family:Consolas">export OMP_STACKSIZE=16M</span><span lang="EN-US" style="font-size:11.0pt"> ?</span><o:p></o:p></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span lang="EN-US" style="font-size:11.0pt"> </span><o:p></o:p></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span lang="EN-US" style="font-size:11.0pt">HTH</span><o:p></o:p></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span lang="EN-US" style="font-size:11.0pt"> </span><o:p></o:p></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span lang="EN-US" style="font-size:11.0pt">Matthias</span><o:p></o:p></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> <span lang="EN-US" style="font-size:11.0pt"> </span><o:p></o:p></p> </div> </div> <div> <div> <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:auto;margin-bottom:12.0pt;margin-left:108.0pt"> <b><span style="color:black">From: </span></b><span style="color:black"><span class="MsoHyperlink">cp...@googlegroups.com</span> <<span class="MsoHyperlink">cp...@googlegroups.com</span>> on behalf of Rashid Riboul <<span class="MsoHyperlink">sasta...@gmail.com</span>><br> <b>Date: </b>Thursday, 20 June 2024 at 17:19<br> <b>To: </b>cp2k <<span class="MsoHyperlink">cp...@googlegroups.com</span>><br> <b>Subject: </b>Re: [CP2K:20364] Possible Issue with Arch Files</span><o:p></o:p></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:108.0pt"> Thanks Matthias; I downloaded the developmental version, and it compiled fine! The only thing now is that it seems to be failing over 50 regtests. Would that be due to me using the developmental version? Or is something else possibly the issue?<o:p></o:p></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:108.0pt"> <o:p></o:p></p> </div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:108.0pt"> <o:p></o:p></p> <div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:108.0pt"> On Friday, May 31, 2024 at 1:32:35<span style="font-family:"Arial",sans-serif"> </span>AM UTC-7 Krack Matthias wrote:<o:p></o:p></p> </div> <blockquote style="border:none;border-left:solid #CCCCCC 1.0pt;padding:0cm 0cm 0cm 6.0pt;margin-left:4.8pt;margin-top:5.0pt;margin-right:0cm;margin-bottom:5.0pt"> <div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:108.0pt"> <span lang="EN-US" style="font-size:11.0pt">Hi</span><o:p></o:p></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:108.0pt"> <span lang="EN-US" style="font-size:11.0pt"> </span><o:p></o:p></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:108.0pt"> <span lang="EN-US" style="font-size:11.0pt">Thanks for reporting the issue. It should be fixed now by </span><a href="https://github.com/cp2k/cp2k/pull/3442" target="_blank"><span lang="EN-US" style="font-size:11.0pt">PR #3442</span></a><span lang="EN-US" style="font-size:11.0pt"> in the CP2K development version.</span><o:p></o:p></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:108.0pt"> <span lang="EN-US" style="font-size:11.0pt"> </span><o:p></o:p></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:108.0pt"> <span lang="EN-US" style="font-size:11.0pt">Best </span><o:p></o:p></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:108.0pt"> <span lang="EN-US" style="font-size:11.0pt"> </span><o:p></o:p></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:108.0pt"> <span lang="EN-US" style="font-size:11.0pt">Matthias</span><o:p></o:p></p> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:108.0pt"> <span lang="EN-US" style="font-size:11.0pt"> </span><o:p></o:p></p> </div> </div> <div> <div> <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:auto;margin-bottom:12.0pt;margin-left:144.0pt"> <b><span style="color:black">From: </span></b><span style="color:black"><span class="MsoHyperlink">cp...@googlegroups.com</span> <<span class="MsoHyperlink">cp...@googlegroups.com</span>> on behalf of Rashid Riboul <<span class="MsoHyperlink">sasta...@gmail.com</span>><br> <b>Date: </b>Tuesday, 28 May 2024 at 00:26<br> <b>To: </b>cp2k <<span class="MsoHyperlink">cp...@googlegroups.com</span>><br> <b>Subject: </b>[CP2K:20247] Possible Issue with Arch Files</span><o:p></o:p></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:144.0pt"> Hi, I'm trying to install CP2K using the designated Arch file and I saw an interesting message:<o:p></o:p></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:144.0pt"> <o:p></o:p></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:144.0pt"> ==================== Getting proc arch info using OpenBLAS tools ====================<br> wget --quiet <a href="https://www.cp2k.org/static/downloads/OpenBLAS-0.3.27.tar.gz" target="_blank"> https://www.cp2k.org/static/downloads/OpenBLAS-0.3.27.tar.gz</a><br> OpenBLAS-0.3.27.tar.gz: OK<br> Checksum of OpenBLAS-0.3.27.tar.gz Ok<br> cc1: error: unknown value 'apple-m1' for '-march'<br> cc1: note: valid arguments are: armv8-a armv8.1-a armv8.2-a armv8.3-a armv8.4-a armv8.5-a armv8.6-a armv8.7-a armv8.8-a armv8-r armv9-a armv9.1-a armv9.2-a armv9.3-a native<br> cc1: note: did you mean '-mcpu=apple-m1'?<br> C Compiler (/opt/homebrew/bin/gcc) is something wrong.<br> cc1: error: unknown value 'apple-m1' for '-march'<br> cc1: note: valid arguments are: armv8-a armv8.1-a armv8.2-a armv8.3-a armv8.4-a armv8.5-a armv8.6-a armv8.7-a armv8.8-a armv8-r armv9-a armv9.1-a armv9.2-a armv9.3-a native<br> cc1: note: did you mean '-mcpu=apple-m1'?<br> C Compiler (/opt/homebrew/bin/gcc) is something wrong.<br> cc1: error: unknown value 'apple-m1' for '-march'<br> cc1: note: valid arguments are: armv8-a armv8.1-a armv8.2-a armv8.3-a armv8.4-a armv8.5-a armv8.6-a armv8.7-a armv8.8-a armv8-r armv9-a armv9.1-a armv9.2-a armv9.3-a native<br> cc1: note: did you mean '-mcpu=apple-m1'?<br> C Compiler (/opt/homebrew/bin/gcc) is something wrong.<br> make: *** [config.h] Error 1<br> Makefile.system:1546: Makefile.: No such file or directory<br> make: *** No rule to make target `Makefile.'. Stop.<br> ERROR: (/Users/caracallynx/MD/cp2k/tools/toolchain/scripts/get_openblas_arch.sh, line 52) Non-zero exit code detected.<br> ERROR: (./scripts/stage0/setup_buildtools.sh, line 67) Non-zero exit code detected.<o:p></o:p></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:144.0pt"> <o:p></o:p></p> </div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:144.0pt"> For the record, this is the latest version history of CP2K (downloaded from repository two days ago) and I'm attempting to install it on an Apple Silicon Macbook M1 Max running Sonoma 14.5.<o:p></o:p></p> </div> </div> </div> </div> </div> <div> <div> <div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:144.0pt"> -- <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 <span class="MsoHyperlink">cp2k+uns...@googlegroups.com</span>.<br> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/4c2de455-efb6-4886-8f1d-e1c1b2eac4a0n%40googlegroups.com?utm_medium=email&utm_source=footer" target="_blank"> https://groups.google.com/d/msgid/cp2k/4c2de455-efb6-4886-8f1d-e1c1b2eac4a0n%40googlegroups.com</a>.<o:p></o:p></p> </div> </div> </div> </div> </blockquote> </div> </div> </div> </div> </div> <div> <div> <div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:108.0pt"> -- <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 <span class="MsoHyperlink">cp2k+uns...@googlegroups.com</span>.<o:p></o:p></p> </div> </div> </div> </div> <div> <div> <div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:108.0pt"> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/9e7679a2-0155-4ed9-8c52-adc07f58af90n%40googlegroups.com?utm_medium=email&utm_source=footer" target="_blank"> https://groups.google.com/d/msgid/cp2k/9e7679a2-0155-4ed9-8c52-adc07f58af90n%40googlegroups.com</a>.<o:p></o:p></p> </div> </div> </div> </div> </blockquote> </div> </div> </div> </div> </div> <div> <div> <div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> -- <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 <span class="MsoHyperlink">cp2k+uns...@googlegroups.com</span>.<o:p></o:p></p> </div> </div> </div> </div> <div> <div> <div> <div> <p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;margin-left:72.0pt"> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/d3d0d560-59dc-490f-aa03-9dcb8e2481ffn%40googlegroups.com?utm_medium=email&utm_source=footer" target="_blank"> https://groups.google.com/d/msgid/cp2k/d3d0d560-59dc-490f-aa03-9dcb8e2481ffn%40googlegroups.com</a>.<o:p></o:p></p> </div> </div> </div> </div> </blockquote> </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 on the web visit <a href="https://groups.google.com/d/msgid/cp2k/835a2e55-f240-4b21-8ad4-62fcaf29dcdbn%40googlegroups.com?utm_medium=email&utm_source=footer"> https://groups.google.com/d/msgid/cp2k/835a2e55-f240-4b21-8ad4-62fcaf29dcdbn%40googlegroups.com</a>.</p> </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 on the web visit <a href="https://groups.google.com/d/msgid/cp2k/ZRAP278MB08277ADF59AEEE64A4085ECCF4CB2%40ZRAP278MB0827.CHEP278.PROD.OUTLOOK.COM?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/ZRAP278MB08277ADF59AEEE64A4085ECCF4CB2%40ZRAP278MB0827.CHEP278.PROD.OUTLOOK.COM</a>.<br />