[CP2K-user] [CP2K:18335] cp2k Installation

[Sebastian Muraru]

Hi There! I am trying to install cp2k local_cuda psmp on a machine with 
NVidia RTX A4000 and intel core i9 10900F CPU. 

I just downloaded cp2k using git today from the master branch.

I used ./install_cp2k_toolchain.sh --with-openmpi --with-openblas 
--enable-cuda --gpu-ver=V100 --enable-opencl --with-cmake=system 
--with-libxc --with-pexsi=no --with-ptscotch=no --with-superlu=no 
--with-quip --with-plumed --with-elpa=no --with-sirius=no --with-libxsmm 
and everything went smooth. I followed directions as given.

During make, I get this error.
See screenshot 17-15-07 please.

So I figured I'd go into exts folder and use cmake and then make on dbcsr. 
I used "cmake .. -DUSE_ACCEL=cuda -DWITH_CUDA_PROFILING=ON -DWITH_GPU=V100" 
and then "make".

It stopped at about 80%, and looked like this, see Screenshot 2023-01-16 
17-17-32. 

Can anyone suggest any reason for it?

I also attach the arch file obtained from cp2k. I figured if I manage to 
correctly install dbcsr, then cp2k installation will work too.

Best,
Sebastian

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