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