A couple of ways to help narrow down or solve your problem:
If the installation succeeds, are you actually using the newly compiled binary? In your build folder there should be a bin folder with the new binary inside of it. Check if that reports GPU working. If it does, the problem is that your system path is not set to find your new install. Make sure to source the GMXRC file from the installation directory.
If the new binary does not have GPU support, what is the output from your compilation? I believe it should fail or at least give a warning if it can’t add the support.
On an unrelated note, is there a specific reason for why you are turning off SIMD acceleration? You’re leaving a lot of performance on the table.
sorry for silence here. I hope you have been able to resolve this by now, but just for completeness, this looks definitely like an issue your runtime. What does nvidia-smi report?
Looking at your screenshot, you compiled GROMACS without any GPU support.
For GROMACS 2022, you should use -DGMX_GPU=CUDA, not-DGMX_GPU=ON. If you’re still getting “GPU support: disabled”, try removing CMakeCache.txt from your build directory and running CMake from scratch.
I also tried with DGMX_GPU=CUDA , and I could installed , but GPU not supported.
Could you please elaborate what error are you getting? The output of nvidia-smi could also be helpful.