GPU error during installation of gromacs2019.6

First i tried with Gromcas (2020.3 version with CUDA 11.0. It failed.

In what manner did it fail?

discussions on forum suggested the newer versions of gromacs has issues on installation.

CUDA 11 is the likely issue, you can work around it by setting
cmake ../ -DGMX_CUDA_TARGET_SM="30;35;52;60;61;70;75"
(that is excluding the “20” which corresponds to the deprecated architecture).

so i tried on old versions of Gromacs (gromacs 2019.6) and CUDA (10.1).

Change one thing at a time when troubleshooting, I suggest. Use GROMACS 2020.3 with CUDA 10.1 and the CUDA 11 issues will be resolved.

The rest of the build issues are caused by your cmake invocation requesting static hwloc but its dependencies are not linked. Omit -DGMX_PREFER_STATIC_LIBS=ON in your cmake invocation and the error will most likely be resolved.