This should be unnecessary. mpi4py is built into the site-packages
directory of the default Python stdlib location, so there should be no need
to specify PYTHONPATH.
Also note, though, that AMBERHOME *MUST* point to your AmberTools 1.5 +
Amber11 directory.
HTH,
Jason
On Mon, Jun 27, 2011 at 3:33 PM, Chris Chris <alpharecept.yahoo.com> wrote:
> In my case- I specified the for python in my submit script as in:
>
>
> setenv PYTHONPATH
> /usr/apps/chemistry/amber/amber11_1.5/mpi4py/lib64/python2.6/site-packages
>
>
>
>
>
> ________________________________
> From: "Guenegou, Guillaume [ORDFR]" <GGUENEGO.ITS.JNJ.com>
> To: AMBER Mailing List <amber.ambermd.org>
> Sent: Mon, June 27, 2011 11:38:38 AM
> Subject: [AMBER] mmpbsa.py
>
> Dear all,
>
> I have amber11, amberTools1.5 patched.
> When I try to launch MMPBSA (located in amber11/bin) in order to try
> tutorials, I got the following message:
> Could not import normal python modules. Check your python installation.
>
> MMPBSA is pointed at "python" in AMBERHOME/bin which exists.
>
> Thanks for any suggestion,
> G.GUENEGOU
>
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>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Mon Jun 27 2011 - 17:00:03 PDT
