Gromacs cmake error w/ GPU enabled

[al42and]

Hi!

@jshinsato

nvcc fatal : Unknown option ‘-std:c++17’

Have you tried the solution form this post?

Link error Gromacs on windows with CUDA

Just change file gromacs-2023.1/cmake/gmxManageNvccConfig.cmake line 241 to: list(APPEND GMX_CUDA_NVCC_FLAGS "${CMAKE_CUDA17_STANDARD_COMPILE_OPTION}")

You can also try building/running GROMACS via WSL. We try to support MSVC, but none of the core developers use Windows, so it is

@jshinsato

-Tried with and without -DGMX_CUDA_TARGET_SM=90 neither working

For RTX 3050, you should use 86, not 90.