GROMACS version: 2022.1
GROMACS modification: Yes/No
I have error in make file after running the ‘make’ command. My gcc version is 11 . As attached is the screenshot.
Hello!
Looking at the error, it seems that the CUDA compiler is not interacting well with GCC. Could you please share what CUDA version you have and what flags you are passing to cmake?
Also, I suggest trying GROMACS 2022.2, we fixed a somewhat related issue there.
Hello ! thanks for the reply, I manage to solve the problem and enable gpu for gromacs.