[CP2K-user] Installation error cp2k 8.2 at ELPA+GPU

mand...@gmail.com mandar.ku... at gmail.com
Wed Jun 23 20:37:25 UTC 2021

Dear CP2K community,

I am installing cp2k 8.2 with toolchain options on Ubuntu 20.04 LTS with 
working CUDA drivers installed. (CUDA 11.2 + driver version 460.84)

./install_cp2k_toolchain.sh --gpu-ver=V100 --enable-cuda 
--with-openmpi=system --with-libxc=install --with-libint=install 
--with-fftw=install --with-openblas=install --with-elpa=install 
--with-libxsmm=install --with-plumed=install

During the installation of ELPA, I faced an error for the GPU version 
(../build/elpa-2020.11.001/build_gpu/config.log). I have attached the log 
file generated during elpa installation. 

Any help or suggestions would be highly appreciated.

Mandar Kulkarni

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