This is because "/path/to/mpiexec" is not a real path. You have to
substitute the real path to mpiexec (which will be dependent on how it
was installed on your system. it may be /usr/bin, /usr/local/bin, or
some other directory if your system admin installed multiple MPI
implementations on your system).
Good luck!
Jason
On Thu, Jan 7, 2010 at 9:05 AM, mani grover <manigrover1.gmail.com> wrote:
> even after writng this its showing same error
>
>
> #!/bin/bash
> #PBS -o amber.log
> #PBS -e amber.err
> #PBS -l walltime=120:00:00
> #PBS -l nodes=1:ppn=4
> export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/usr/local/lib/
> export PATH=$PATH:/usr/local/amber9/exe
> export PATH=/path/to/mpiexec\:$PATH
> cd $PBS_O_WORKDIR
> mpiexec --mca btl_tcp_if_include eth0 -np 4 sander.MPI \
> -i min1.in \
> -p 2y.top \
> -c 2y2.crd \
> -ref 2y2.crd \
> -o min1.out \
> -x min1.crd \
> -r min1.rst \
> -inf min1.info
>
>
>>
>>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
---------------------------------------
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Thu Jan 07 2010 - 06:30:04 PST
