Re: [AMBER] PMEMD running on Intel Xeon Phi

From: Hai Long <spaceshiptoo.gmail.com>
Date: Mon, 7 Jul 2014 10:52:18 -0600

Thanks. That solves the problem.

Hai


On Thu, Jul 3, 2014 at 9:22 PM, Ross Walker <ross.rosswalker.co.uk> wrote:

> 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
> Ross
>
>
>
> On 7/3/14, 12:22 PM, "Hai Long" <spaceshiptoo.gmail.com> wrote:
>
> >Hi all,
> >
> >We were trying to install and run PMEMD on the Intel Xeon Phi
> >coprocessors.
> >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
> >using
> >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!
> >
> >Hai
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>
>
>
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Received on Mon Jul 07 2014 - 10:00:02 PDT
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