[CP2K-user] [CP2K:18773] Re: How to bypass the download step of openblas in running the toolchain?

fabia...@gmail.com fabianducry at gmail.com
Fri May 5 13:01:31 UTC 2023

Dear Yangzhong Li ,

As far as I know you cannot skip this step because the toolchain needs this 
package to collect information. You can manually download the file 
(https://www.cp2k.org/static/downloads/OpenBLAS-0.3.10.tar.gz) and copy it 
to the cp2k/tools/toolchain/build/ folder. The toolchain script will detect 
that the file is already there and will not attempt to download it. You can 
do that with all packages that the toolchain tries to download.

On Friday, 5 May 2023 at 10:20:21 UTC+2 Yangzhong Li wrote:

> I am trying to compiler cp2k-8.1, in the toolchain step, I entered:
> ./install_cp2k_toolchain.sh  --mpi-mode=openmpi  --math-mode=openblas 
>  --with-fftw=<fftw...path>  --with-openblas=<openblas...path>    
> --with-scalapack=<scalapack...path>
> and I got
> MPI is detected and it appears to be OpenMPI
> nvcc not found, disabling CUDA by default
> Compiling with 36 processes.
> ==================== Finding GCC from system paths ====================
> path to gcc is  <gcc..path>/gcc
> path to g++ is    <gcc..path>/g++
> path to gfortran is    <gcc..path>/gfortran
> Found include directory /usr/include
> Found lib directory  <gcc..path>/lib64
> Step gcc took 0.00 seconds.
> ==================== Getting proc arch info using OpenBLAS tools 
> ====================
> ERROR: (<cp2k...path>/tools/toolchain/scripts/get_openblas_arch.sh) failed 
> to download https://www.cp2k.org/static/downloads/OpenBLAS-0.3.10.tar.gz
> ERROR: ( <cp2k...path>/tools/toolchain/scripts/get_openblas_arch.sh, line 
> 645) Non-zero exit code detected.
> ERROR: (./scripts/setup_buildtools.sh, line 38) Non-zero exit code 
> detected.
> My cluster has no internet access so download is impossible. I use the 
> option --with-openblas=no  or  --with-openblas=install   and the script 
> will stop at the same place with the same output information.
> How can I proceed?

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