On Thu, Jun 11, 2015, anu chandra wrote:
> 1. I have installed MPI.
> 2. I successfully installed Amber 12 and AmberTools 15 in parallel using
> mpi.
>
> For running sander.mpi/pmemd.mpi across all 8 cores, what all additional
> programs I should have in my machine?
You don't need anything else. Use the "mpirun" (or "mpiexec") command that
comes with your MPI in a manner like this:
mpirun -np 8 pmemd.mpi <other option flags for pmemd go here>
Run some short serial and parallel simulations and compare the two.
....good luck...dac
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Received on Thu Jun 11 2015 - 05:30:02 PDT
