you need to follow the howto guide step by step in case you "cannot find the mpiexec". Next, run the "gcc --version","g++ --version", "gfortran --version" and "mpiexec --version" and "which mpiexec" to check the if the "(homebrew XXX 14.2.0)",and the route is "~cp2k/tools/toolchain/install/openmpi-5.0.5/bin/mpiexec". Finally, change the barshrc and source it. <div class="gmail_quote"><div dir="auto" class="gmail_attr">On Monday 25 March 2024 at 00:17:28 UTC+8 Rashid Riboul wrote: </div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;"><div dir="auto">Yeah; both gcc and g++ references the GNU versions.</div> <div class="gmail_quote"></div><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sun, Mar 24, 2024, 2:56 AM Krack Matthias <<a href data-email-masked rel="nofollow">matthia...@psi.ch</a>> wrote: </div></div><div class="gmail_quote"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"> <div lang="en-CH" link="blue" vlink="purple" style="word-wrap:break-word"> <div> Note, that the CP2K toolchain build (from scratch) on macOS as described in the how-to relies on the gcc and not the clang compiler version. Make sure that “gcc --version” returns “gcc (Homebrew GCC 13.2.0) 13.2.0” and not something like “Apple clang version 15.0.0 (clang-1500.3.9.4). <div> <div> <div style="border:none;border-top:solid #b5c4df 1.0pt;padding:3.0pt 0cm 0cm 0cm"> From: <a href rel="noreferrer nofollow" data-email-masked>cp...@googlegroups.com</a> <<a href rel="noreferrer nofollow" data-email-masked>cp...@googlegroups.com</a>> on behalf of Rashid Riboul <<a href rel="noreferrer nofollow" data-email-masked>sasta...@gmail.com</a>> Date: Sunday, 24 March 2024 at 00:22 To: <a href rel="noreferrer nofollow" data-email-masked>cp...@googlegroups.com</a> <<a href rel="noreferrer nofollow" data-email-masked>cp...@googlegroups.com</a>> Subject: Re: [CP2K:20065] Re: Installation on M1 Mac </div> <div> I'm trying to build this for GROMACS (which I'm also having issues in compiling lol). Would installing via Homebrew still generate the library file needed for GROMACS? </div> <div> <div> On Sat, Mar 23, 2024, 4:00 PM ADAMU IDRIS <<a href rel="noreferrer nofollow" data-email-masked>adamum...@gmail.com</a>> wrote: </div> <blockquote style="border:none;border-left:solid #cccccc 1.0pt;padding:0cm 0cm 0cm 6.0pt;margin-left:4.8pt;margin-right:0cm"> <div> It is very difficult to compile cp2k in M1, I spend 2 years without achieving it.. However, you can simply install it with brew cp2k command.. <div> </div> <div> You can also try and make the installation step by step </div> </div> <div> <div> On Sun, 24 Mar 2024, 3:02 am Rashid Riboul, <<a href rel="noreferrer nofollow" data-email-masked>sasta...@gmail.com</a>> wrote: </div> <blockquote style="border:none;border-left:solid #cccccc 1.0pt;padding:0cm 0cm 0cm 6.0pt;margin-left:4.8pt;margin-right:0cm"> <div> Yes; I had them installed when I installed Homebrew. </div> <div> <div> On Sat, Mar 23, 2024, 11:48 AM Krack Matthias <<a href rel="noreferrer nofollow" data-email-masked>matthia...@psi.ch</a>> wrote: </div> <blockquote style="border:none;border-left:solid #cccccc 1.0pt;padding:0cm 0cm 0cm 6.0pt;margin-left:4.8pt;margin-right:0cm"> <div> <div> The openmpi build fails obviously. Do you have the Xcode command line tools installed? <div style="border:none;border-top:solid #e1e1e1 1.0pt;padding:3.0pt 0cm 0cm 0cm"> Von: <a href rel="noreferrer nofollow" data-email-masked> cp...@googlegroups.com</a> <<a href rel="noreferrer nofollow" data-email-masked>cp...@googlegroups.com</a>> Im Auftrag von Rashid Riboul Gesendet: Samstag, 23. März 2024 19:26 An: <a href rel="noreferrer nofollow" data-email-masked>cp...@googlegroups.com</a> Betreff: Re: [CP2K:20061] Re: Installation on M1 Mac </div> <div> Attached are the outputs of the sourced arch file and the error after the make command. </div> <div> <div> On Sat, Mar 23, 2024, 10:39 AM Krack Matthias <<a href rel="noreferrer nofollow" data-email-masked>matthia...@psi.ch</a>> wrote: </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> Hi Without further information, it is difficult to provide any hints. Did you try already to install cp2k via the “easy way” just by “brew install cp2k”? Best Matthias <div style="border:none;border-top:solid #e1e1e1 1.0pt;padding:3.0pt 0cm 0cm 0cm"> Von: <a href rel="noreferrer nofollow" data-email-masked> cp...@googlegroups.com</a> <<a href rel="noreferrer nofollow" data-email-masked>cp...@googlegroups.com</a>> Im Auftrag von Rashid Riboul Gesendet: Samstag, 23. März 2024 17:33 An: cp2k <<a href rel="noreferrer nofollow" data-email-masked>cp...@googlegroups.com</a>> Betreff: [CP2K:20060] Re: Installation on M1 Mac </div> I'm having issues attaching the messages for the sourcing and the error at the moment as well. <div> <div> On Saturday, March 23, 2024 at 2:41:00 AM UTC-7 Rashid Riboul wrote: </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> Hi, I've been having issues installing CP2K on my Macbook, even after following the How-To guide, and I don't know what I'm doing incorrect. I sourced the arch file, and nothing appeared to be erroneous and I followed the instructions to make the file, but I got an error. </div> <div> </div> <div> Can anyone help me figure out what I'm missing? </div> <div> </div> <div> </div> </blockquote> </div> -- You received this message because you are subscribed to the Google Groups "cp2k" group. To unsubscribe from this group and stop receiving emails from it, send an email to <a href rel="noreferrer nofollow" data-email-masked>cp2k+uns...@googlegroups.com</a>. 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