[CP2K-user] GPU testruns fails with: CUDA driver version is insufficient for CUDA runtime version

Alfio Lazzaro alfio.... at gmail.com
Mon Nov 2 09:16:26 UTC 2020

Hi Jörg,
This problem seems unrelated to CP2K...
Have you tried to google that message?
I found some entries:


Any many others.... It seems a problem with the driver installation, people 
recommend to uninstall/reinstall...


Il giorno lunedì 2 novembre 2020 alle 00:23:32 UTC+1 sassy ha scritto:

> Dear all,
> over the weekend I had access to a GPU test machine so I could compare the 
> performance between a RTX-6000 and a A100 GPU card. 
> I have installed the following CUDA drivers:
> $ nvidia-smi
> NVIDIA-SMI 450.80.02 Driver Version: 450.80.02 CUDA Version: 11.0
> I am using GCC-9.3.0 with CUDA-11.0.2
> I am using the toolchain with the following commands:
> $ ./install_cp2k_toolchain.sh -j 12 --no-check-certificate --libint-lmax=6 
> --
> with-cmake=system --with-libxc --with-libint --with-fftw=system --with-
> openblas=system --with-libxsmm --with-parmetis --with-superlu --with-quip 
> --
> with-plumed --with-gsl --with-libvdwxc --with-spglib --with-hdf5 
> --with-spfft 
> --with-scalapack=system --gpu-ver=V100 --with-elpa=no --with-sirius=no
> (I had problems with the ELPA and SIRIUS build, hence I disabled them).
> Running the test jobs, *all* of them fail with:
> "CUDA driver version is insufficient for CUDA runtime version"
> The box has both cards installed and I am masking one with the
> environment variable. 
> I am puzzled of where I am getting wrong. Yesterday I tried it with both, 
> the 
> A100 and the RTX-6000 card using most of the above modules being installed 
> on 
> the system via EasyBuild, today I only tested the RTX-6000 card. 
> Does anybody has a good idea? I don't have the box for much longer, as I 
> said, 
> it is only a test environment I got access granted to. 
> Thanks for your help!
> All the best from a mild London
> Jörg
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