Also we need to know if the test cases pass for you.
On Oct 27, 2011 12:55 PM, "Jason Swails" <jason.swails.gmail.com> wrote:
> On Thu, Oct 27, 2011 at 12:47 PM, <c00jsw00.nchc.narl.org.tw> wrote:
>
> > Dear all,
> > When I used the NEB method with torque PBS system (Linux cluster), the
> > Amber didn't work, such as the comand "mpirun -np 32
> > $AMBERHOME/exe/sander.MPI -ng 32 -groupfile groupfile" Could you tell me
> > how to fix the problem?
> >
>
> No. Without more details it's impossible to tell why it didn't work. We
> need exact commands and exact error messages to help. (We don't even know
> if it's an Amber problem)
>
> Good luck,
> Jason
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Candidate
> 352-392-4032
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Received on Thu Oct 27 2011 - 10:30:02 PDT
