[CP2K-user] [CP2K:20377] Possible Issue with Arch Files

[Rashid Riboul]

Ah; that fixed most of the failures actually. I still have 1 failed test 
and 8 wrong tests. I *am* 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.

On Saturday, June 22, 2024 at 3:09:12 AM UTC-7 Krack Matthias wrote:

> The CP2K Apple M1 tester 
> <https://dashboard.cp2k.org/archive/darwin-gnu-arm64-psmp/index.html> for 
> the current CP2K development version shows no issues in the log file 
> <https://dashboard.cp2k.org/archive/darwin-gnu-arm64-psmp/commit_f86ddaf5246ecad147e5bc02d5d464ed5302d4d3.txt>
> .
>
> Did you follow all the instructions in the howto 
> <https://www.cp2k.org/howto:compile_on_macos>, 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?
>
>  
>
> *From: *cp... at googlegroups.com <cp... at googlegroups.com> on behalf of 
> Rashid Riboul <sasta... at gmail.com>
> *Date: *Saturday, 22 June 2024 at 08:25
> *To: *cp2k <cp... at googlegroups.com>
> *Subject: *Re: [CP2K:20375] Possible Issue with Arch Files
>
> 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.
>
>  
>
> Please let me know what other information I can give to help troubleshoot 
> this issue.
>
>  
>
> On Thursday, June 20, 2024 at 8:26:08 AM UTC-7 Krack Matthias wrote:
>
> Did you increase the OMP_STACKSIZE to 16M or more, e.g. with export 
> OMP_STACKSIZE=16M ?
>
>  
>
> HTH
>
>  
>
> Matthias
>
>  
>
> *From: *cp... at googlegroups.com <cp... at googlegroups.com> on behalf of 
> Rashid Riboul <sasta... at gmail.com>
> *Date: *Thursday, 20 June 2024 at 17:19
> *To: *cp2k <cp... at googlegroups.com>
> *Subject: *Re: [CP2K:20364] Possible Issue with Arch Files
>
> 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?
>
>  
>
>  
>
> On Friday, May 31, 2024 at 1:32:35 AM UTC-7 Krack Matthias wrote:
>
> Hi
>
>  
>
> Thanks for reporting the issue. It should be fixed now by PR #3442 
> <https://github.com/cp2k/cp2k/pull/3442> in the CP2K development version.
>
>  
>
> Best 
>
>  
>
> Matthias
>
>  
>
> *From: *cp... at googlegroups.com <cp... at googlegroups.com> on behalf of 
> Rashid Riboul <sasta... at gmail.com>
> *Date: *Tuesday, 28 May 2024 at 00:26
> *To: *cp2k <cp... at googlegroups.com>
> *Subject: *[CP2K:20247] Possible Issue with Arch Files
>
> Hi, I'm trying to install CP2K using the designated Arch file and I saw an 
> interesting message:
>
>  
>
> ==================== Getting proc arch info using OpenBLAS tools 
> ====================
> wget  --quiet https://www.cp2k.org/static/downloads/OpenBLAS-0.3.27.tar.gz
> OpenBLAS-0.3.27.tar.gz: OK
> Checksum of OpenBLAS-0.3.27.tar.gz Ok
> cc1: error: unknown value 'apple-m1' for '-march'
> 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
> cc1: note: did you mean '-mcpu=apple-m1'?
> C Compiler (/opt/homebrew/bin/gcc) is something wrong.
> cc1: error: unknown value 'apple-m1' for '-march'
> 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
> cc1: note: did you mean '-mcpu=apple-m1'?
> C Compiler (/opt/homebrew/bin/gcc) is something wrong.
> cc1: error: unknown value 'apple-m1' for '-march'
> 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
> cc1: note: did you mean '-mcpu=apple-m1'?
> C Compiler (/opt/homebrew/bin/gcc) is something wrong.
> make: *** [config.h] Error 1
> Makefile.system:1546: Makefile.: No such file or directory
> make: *** No rule to make target `Makefile.'.  Stop.
> ERROR: 
> (/Users/caracallynx/MD/cp2k/tools/toolchain/scripts/get_openblas_arch.sh, 
> line 52) Non-zero exit code detected.
> ERROR: (./scripts/stage0/setup_buildtools.sh, line 67) Non-zero exit code 
> detected.
>
>  
>
> 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.
>
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