Hi
There is a chance that your configure command had an error saying “mpi4py
not found”.
Install mpi4py and recompile amber, it should solve the problem.
On Tuesday, September 29, 2020, Liao <liaojunzhuo.aliyun.com> wrote:
> Dear Amber fellows,
>
> I’ve just tried to install Amber20, everything seems to be OK, but
> MMPBSA.py.MPI is not there. All the other MPIs as far as I noticed are
> installed.
>
> I tried to just copy and paste over MMPBSA.py.MPI from Amber19, and
> changed the interpreter line on top so that it is being read by the
> amber.python from 20. But then another problem arises, that it says “Could
> not import mpi4py package!”
>
> From a 2016 thread, I tried amber.python -c “import mpi4py”, and it
> doesn’t give any error message (just blank and next line), so that seems to
> be fine.
>
> So why has MMPBSA.py.MPI failed to install for me, and is this file from
> Amber 19 compatible and the same with 20?
>
> Many thanks.
>
>
>
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>
--
Best Regards
Elvis
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Received on Tue Sep 29 2020 - 01:00:02 PDT
