Dear Prof. Case,
Thanks for your inputs. I will try few serial and parallel job as you
suggested. Do I need to have SLURM or PBS installed for allocating the job
across the 8-cores?
Many thanks
Anu
On Thu, Jun 11, 2015 at 3:00 PM, David A Case <case.biomaps.rutgers.edu>
wrote:
> On Thu, Jun 11, 2015, David A Case wrote:
> >
> > mpirun -np 8 pmemd.mpi <other option flags for pmemd go here>
>
> Ooops....above should be this:
>
> > mpirun -np 8 pmemd.MPI <other option flags for pmemd go here>
>
> ...dac
>
>
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Received on Fri Jun 12 2015 - 03:00:02 PDT
