nvhpc compiler version issue

[Zhaoli2042]

Zhao has been notified that the code may not work properly under some versions of the nvhpc compilers.
Currently, it works for 22.5, 22.7, but not 22.11, or 23.9

On NERSC, the default is 23.9, so the code needs to be fixed (really?), but it may then break for further versions.

Just be careful about the compiler version.

[KaihangShi]

You can use 22.7 on NERSC by loading the follow module:
module load nvhpc/22.7

Currently, module load PrgEnv-nvhpc will load 23.9.

[Jiayang0420]

Try adding module load cudatoolkit/11.5 or 11.7 if only using module load nvhpc/22.7 does not work.

[Zhaoli2042]

NOTE: I have updated the code part that is affected by CUDA-12.
Please see the installation guide for gRASPA on Ubuntu 24.04 + CUDA-12 + NVHPC 24.5
HERE: https://zhaoli2042.github.io/gRASPA-mkdoc/Installation/Ubuntu.html