[CP2K-user] [CP2K:20194] Question about --with-openblas

[Krack Matthias]

OpenBLAS is used by the CP2K toolchain initially just to retrieve the architecture information (CPU type etc.). OpenBLAS is installed later again during the toolchain run. Check to which OpenBLAS libs CP2K is eventually linked.

From: cp2k at googlegroups.com <cp2k at googlegroups.com> on behalf of Supernova <supernovazhangjiaxing at gmail.com>
Date: Wednesday, 8 May 2024 at 11:52
To: cp2k <cp2k at googlegroups.com>
Subject: [CP2K:20193] Question about --with-openblas
During installing dependencies by toolchain, when I tried to set "--with-openblas" to my own OpenBLAS path, but the script still installs it by it self. How should I fix this problem?

version: 2024.1
System: Rocky
command:
./install_cp2k_toolchain.sh \
  --with-libxsmm=install \
  --with-elpa=install \
  --with-libxc=install \
  --with-libint=install \
  --with-gsl=no \
  --with-libvdwxc=no \
  --with-spglib=no \
  --with-hdf5=no \
  --with-spfft=no \
  --with-sirius=no \
  --with-scalapack=install \
  --with-openblas=/opt/OpenBLAS \
  --with-fftw=/opt/fftw3310 \
  --with-openmpi=/opt/openmpi411

Output:
==================== Getting proc arch info using OpenBLAS tools ====================
wget  --quiet https://www.cp2k.org/static/downloads/OpenBLAS-0.3.25.tar.gz
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