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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Received on Thu Mar 03 2011 - 09:00:06 PST