[gmx-users] Gromacs with Intel Xeon Phi coprocessors ?

[Mark Abraham]

No idea. It was not a development target for 4.6, and there are no explicit
plans for considering Xeon Phi at this time. It would be interesting to
hear whether people can get benefit from them from our existing OpenMP
parallelism support for (particularly) PME + Verlet kernels.

Roughly speaking, 4.6 delivered a lot of performance improvements within
(and in spite of) an ageing C code base. The plans for 5.0 target a very
limited number of new features, chief of which is a transition to using
C++. We are targeting the kind of massive utilisation of threads that seems
to us likely to feature in the future of HPC. So far, using Intel's TBB as
a test bed is something we are considering, though we may end up "rolling
our own" code instead. Either way, a straightforward port of GROMACS that
works well on Xeon Phi seems fairly likely to me. Just not this year ;-)
(Unless anyone has hardware and developer time to donate!)

Mark

On Sat, Mar 9, 2013 at 2:43 AM, Christopher Neale <
chris.neale at mail.utoronto.ca> wrote:

> Dear users:
>
> does anybody have any experience with gromacs on a cluster in which each
> node is composed of 1 or 2 x86 processors plus an Intel Xeon Phi
> coprocessor? Can gromacs make use of the xeon phi coprocessor? If not, does
> anybody know if that is in the pipeline?
>
> Thank you,
> Chris.
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