GROMACS version: 2025.1
GROMACS modification: No
Hi,
I’ve been trying to install gromacs on a ubuntu workstation with nvidia gpus. However, I keep encountering the following error messages during the “make” step:
nvcc fatal : Unsupported gpu architecture ‘compute_89’
[ 50%] Building CUDA object src/gromacs/CMakeFiles/libgromacs.dir/nbnxm/cuda/nbnxm_cuda_data_mgmt.cu.o
make[2]: *** [src/gromacs/CMakeFiles/libgromacs.dir/build.make:3643: src/gromacs/CMakeFiles/libgromacs.dir/nbnxm/cuda/nbnxm_cuda.cu.o] Error 1
make[2]: *** Waiting for unfinished jobs…
[ 50%] Building CUDA object src/gromacs/CMakeFiles/libgromacs.dir/nbnxm/cuda/nbnxm_cuda_kernel_F_noprune.cu.o
nvcc fatal : Unsupported gpu architecture ‘compute_89’
make[2]: *** [src/gromacs/CMakeFiles/libgromacs.dir/build.make:3658: src/gromacs/CMakeFiles/libgromacs.dir/nbnxm/cuda/nbnxm_cuda_data_mgmt.cu.o] Error 1
nvcc fatal : Unsupported gpu architecture ‘compute_89’
make[2]: *** [src/gromacs/CMakeFiles/libgromacs.dir/build.make:3673: src/gromacs/CMakeFiles/libgromacs.dir/nbnxm/cuda/nbnxm_cuda_kernel_F_noprune.cu.o] Error 1
make[1]: *** [CMakeFiles/Makefile2:5633: src/gromacs/CMakeFiles/libgromacs.dir/all] Error 2
make: *** [Makefile:166: all] Error 2
cmake checks seemed to run fine. Can anyone help me with this? Many thanks in advance!