GROMACS version: 2024.2
GROMACS modification: No
I about to install gromacs on GPU but I have an error after task cmake…
cmake … -DREGRESSIONTEST_DOWNLOAD=ON -DGMX_BUILD_OWN_FFTW=ON -DCMAKE_BUILD_TYPE=Release -DGMX_BUILD_UNITTESTS=ON -DGMX_PREFER_STATIC_LIBS=ON -DGMX_BUILD_SHARED_EXE=OFF -DGMX_X11=OFF -DGMX_EXTERNAL_BLAS=OFF -DGMX_EXTERNAL_LAPACK=OFF -DGMX_SIMD=NONE -DGMX_GPU=CUDA
I already Installed CUDA developer and NVIDIA driver in my system. and error is:
CMake Error at /usr/share/cmake-3.28/Modules/Internal/CMakeCUDAArchitecturesValidate.cmake:7 (message):
CMAKE_CUDA_ARCHITECTURES must be non-empty if set.
Call Stack (most recent call first):
/usr/share/cmake-3.28/Modules/CMakeDetermineCUDACompiler.cmake:116 (cmake_cuda_architectures_validate)
cmake/gmxManageCuda.cmake:116 (enable_language)
CMakeLists.txt:697 (include)
I will be appreciate if anybody can help me regard to this