On Mon, Sep 16, 2013, Pascal Bonnet wrote:
>
> Here is the command line:
> mpirun -np X $AMBERHOME/bin/sander.MPI -O -i ../mdin -o mdout -p
> ../prmtop -c ../inpcrd (with X=1 to 12)
Parallel scaling (and general performance) of sander.MPI is much poorer
than for pmemd.MPI. You should be using the latter if at all possible.
....dac
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Received on Mon Sep 16 2013 - 15:00:02 PDT
