On Tue, Dec 01, 2020, Jose Manuel Granadino Roldán wrote:
>
> I have been so far successful installing the MPI versions of some of
> the programs in the suite. However, I have checked in previous post
> that mpi4py is needed in order to compile MMPBSA.py.MPI. I have tried
> to install it with the miniconda downloaded with the installation
> program, which was straightforward. However, the run.cmake program is
> not able to find it and thus does not install MMPSA.py.MPI. I am not
> able to find any flag or option to let run.cmake know where mpi4py
> is. What am I doing wrong? Any hint?
Can you say what operating system you are using? Could you post the
exact error messages from run.cmake? I don't remember that anyone else
has reported this problem, so any guesses you have about how your
environment might be unique would be appreciated.
...thanks...dac
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Received on Fri Dec 04 2020 - 08:30:04 PST
