I fixed the path to the python library, now I have another error:
raise MMPBSA_Error('Could not import mpi4py package! Use serial version '
MMPBSA_mods.exceptions.MMPBSA_Error: Could not import mpi4py package! Use serial version or install mpi4py.
are there any tricks to properly import the mpi4py package?
> On Jul 1, 2017, at 6:50 AM, Mohammad Salem <mohammad.alaraby.gmail.com> wrote:
>
>
>>
>> Have you sourced amber environments correctly? and are your environments pointing to the correct python libraries?
>
> I am sure about the amber environment (it’s the same script I use to run all other dynamics stuff).
>
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Received on Fri Jun 30 2017 - 22:00:03 PDT
