[CP2K-user] [CP2K:20364] Possible Issue with Arch Files

Krack Matthias matthias.krack at psi.ch
Thu Jun 20 15:25:56 UTC 2024


Did you increase the OMP_STACKSIZE to 16M or more, e.g. with export OMP_STACKSIZE=16M ?

HTH

Matthias

From: cp2k at googlegroups.com <cp2k at googlegroups.com> on behalf of Rashid Riboul <sastargetx at gmail.com>
Date: Thursday, 20 June 2024 at 17:19
To: cp2k <cp2k 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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