What was the command line for MMPBSA.py that you used? Also, what version of
MMPBSA.py do you have (use a text editor to view the Last Updated date at
the top of your MMPBSA.py executable)?
-Bill
On Thu, Mar 3, 2011 at 11:47 AM, hari krishna <haricoolguy111.gmail.com>wrote:
> I am using MMPBSA.py only.. Can you guess what might be the problem
>
>
> --
> S.Hari Krishna
> Research Fellow
> Indian Institute of Technology Bombay
> Mumbai
> India
>
>
> On Thu, Mar 3, 2011 at 5:56 PM, Jason Swails <jason.swails.gmail.com>
> wrote:
>
> > You were running MMPBSA.py.MPI?
> >
> > On Thu, Mar 3, 2011 at 6:07 AM, hari krishna <haricoolguy111.gmail.com
> > >wrote:
> >
> > > Please suggest why this error coming, will be really helpful
> > >
> > >
> > >
> >
> -------------------------------------------------------------------------------------------
> > > MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
> > > with errorcode 1.
> > > NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
> > > You may or may not see output from other processes, depending on
> > > exactly when Open MPI kills them.
> > >
> > >
> >
> -------------------------------------------------------------------------------------------
> > >
> > > AMBER10 is installed properly and also MPI is installed properly. this
> > > error
> > > coming while runnning MMPBSA
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> >
> >
> >
> > --
> > Jason M. Swails
> > Quantum Theory Project,
> > University of Florida
> > Ph.D. Candidate
> > 352-392-4032
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> > http://lists.ambermd.org/mailman/listinfo/amber
> >
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>
--
Bill Miller III
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-6715
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Received on Mon Mar 07 2011 - 05:00:13 PST
