[CP2K-user] [CP2K:14358] CP2K-7.1 Toolchain crash at ELPA instalation

[Tiziano Müller]

Hi Krzysztof,

please use the latest git-master of CP2K if you want to try out a 
CUDA-enabled ELPA. In that version you should not only be able to build 
ELPA with support for a CUDA-kernel, but CP2K should actually be able to 
use it.

Best regards,
Tiziano


On 12/9/20 12:15 PM, Krzysztof Kolman wrote:
> Hello,
> 
> I have encounter a problem while trying to compile cp2k at Ubuntu 20.04 
> with CUDA support. When I use following toolchain command:
> ./install_cp2k_toolchain.sh --with-libxsmm=install 
> --with-openblas=install --with-fftw=install --with-reflapack=no  
> --enable-cuda --enable-omp --gpu-ver=V100 --with-cmake=system 
> --with-openmpi=install
> 
> I get such error:
> ==================== Installing ELPA ====================
> elpa-2019.05.001.tar.gz is found
> Installing from scratch into 
> /cp2k-7.1/tools/toolchain/install/elpa-2019.05.001
> ERROR: (./scripts/install_elpa.sh, line 103) Non-zero exit code detected.
> 
>  From the make.log located at /build/elpa-2019.05.00/obj_no_thread I can 
> see that nvcc crashes:
> nvcc fatal   : Unknown option 'Wl,-rpath'
> 
> Please find attached the make. log file as well as config.log and 
> configure.log located at /build/elpa-2019.05.00/obj_no_threa.
> 
> I think it is also worth to mention that I manage to compile cp2k with 
> flag --with-elpa=no.
> 
> Thank you in advance for your help!
> 
> Best regards,
> Krzysztof
> 
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-- 
Tiziano Müller
University of Zurich
Department of Chemistry
Winterthurerstrasse 190
CH-8057 Zürich

Tel: +41 44 63 54234
www.chem.uzh.ch
tiziano... at chem.uzh.ch