Hello, I am curious how I would build GROMACS with GPU support, I only see GROMACS build with multithreaded and hybrid approach. I notice this is just a tweak to toolchainopts that sets whether to build with openmp and mpi. This seems fine, but not sure how I would build with cuda.
Do I need to load a cuda specific toolchain like gompic or intelcuda. Regards, Shahzeb Siddiqui HPC Linux Engineer B2220-447.2 Groton, CT
