Installation problems

User discussions
1

GROMACS version: 2020.3
GROMACS modification: No
Here post your question:
vcc fatal : Unsupported gpu architecture ‘compute_30’
CMake Error at libgromacs_generated_nbnxm_cuda.cu.o.Release.cmake:220 (message):
Error generating
/home/ricardo/gromacs-2020.3/build/src/gromacs/CMakeFiles/libgromacs.dir/nbnxm/cuda/./libgromacs_generated_nbnxm_cuda.cu.o

nvcc fatal : Unsupported gpu architecture ‘compute_30’
CMake Error at libgromacs_generated_nbnxm_cuda_kernel_F_noprune.cu.o.Release.cmake:220 (message):
Error generating
/home/ricardo/gromacs-2020.3/build/src/gromacs/CMakeFiles/libgromacs.dir/nbnxm/cuda/./libgromacs_generated_nbnxm_cuda_kernel_F_noprune.cu.o

nvcc fatal : Unsupported gpu architecture ‘compute_30’
CMake Error at libgromacs_generated_nbnxm_cuda_kernel_VF_noprune.cu.o.Release.cmake:220 (message):
Error generating
/home/ricardo/gromacs-2020.3/build/src/gromacs/CMakeFiles/libgromacs.dir/nbnxm/cuda/./libgromacs_generated_nbnxm_cuda_kernel_VF_noprune.cu.o

I need help

2

Hello,

as I understand it, this is related to CUDA 11 not being supported yet.

Check this answer for a possible workaround.

3

You are trying to install the cuda that is not supported for your card

4

As @pjohansson noted this is caused by NVIDIA deprecating a GPU architecture (consumer Kepler, compute capability 3.0) that the GROMACS build systems assumes is supported and targets during compilation. To avoid the error you can override the list of architectures targeted adding -DGMX_CUDA_TARGET_SM="35;52;60;61;70;75,80".

If you do have a GPU that is deprecated, you should stick to earlier CUDA versions as the binary you compile with the above workaround will anyway not function on your hardware.