Re: [AMBER] PMEMD running on Intel Xeon Phi

From: Ross Walker <>
Date: Thu, 03 Jul 2014 20:22:02 -0700

Hi Hai,

You need to build the parallel version.

./configure -mpi -mic intel

Then use pmemd.mic.MPI - You would use mpirun -np XX where XX are the
number of cores on your xeon phi.

All the best

On 7/3/14, 12:22 PM, "Hai Long" <> wrote:

>Hi all,
>We were trying to install and run PMEMD on the Intel Xeon Phi
>The installation process was smooth and I could run the test simulation on
>phi card. But the test simulation was really slow and I found it only
>one core of the phi card. I tried to set how many cores to use by the
>OMP_NUM_THREADS parameter but no success. I'm wondering how to the control
>the number of cores used for the pmemd.mic. Thanks!
>AMBER mailing list

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Received on Thu Jul 03 2014 - 20:30:02 PDT
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