Re: [AMBER-Developers] AMBER Master Branch

From: David A Case <>
Date: Thu, 2 Jun 2016 17:59:09 -0600

On Thu, Jun 02, 2016, Charles Lin wrote:
> So the Intel code has been in master for about a month now. We plan on
> releasing the patch within a week.

Still not sure when I am supposed to see speedups. I've tried pmemd.MPI
runs (using Intel 16.0.3 compilers + MKL + mvapich2) for various systems, up to 64
threads, and see no difference in speed for PME calculations. Have not
tried any GB calculations.

Is this only expected to speedup things when the -intelmpi (rather than -mpi)
flag is set?

Do you have specific examples of what systems one should expect speedups


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Received on Thu Jun 02 2016 - 17:00:02 PDT
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