GROMACS version: 2019.3
GROMACS modification: No
I am trying to install GROMACS 2019.3 with CUDA 11 provided in the NVHPC package. However I cannot manage to get it properly compiled due to the following error:
CMake Error: The following variables are used in this project, but they are set to NOTFOUND. Please set them or make sure they are set and tested correctly in the CMake files: CUDA_cufft_LIBRARY (ADVANCED) linked by target "libgromacs" in directory /hnfs/GROMACS/gromacs-2019.3/src/gromacs Generating done
I had also manually forced CMake to use libcufftw.so and libcufftw_static.a but yet it cannot find it!!