[gmx-users] Installing GROMACS4.6.1 on Intel MIC

Szilárd Páll szilard.pall at cbr.su.se
Fri Mar 22 00:26:48 CET 2013


FYI: As much as Intel likes to say that you can "just run" MPI/MPI+OpenMP
code on MIC, you will probably not be impressed with the performance (it
will be *much* slower than a Xeon CPU).

If you want to know why and what/when are we doing something about it,
please read my earlier comments on MIC posted to the mailing list.

--
Szilárd


On Thu, Mar 21, 2013 at 1:49 PM, Mark Abraham <mark.j.abraham at gmail.com>wrote:

> Yes, you can use any kind of FFTW installation for correct results.
> Hardware for which FFTW provides no SIMD acceleration will have to fall
> back on the generic FFTW routines. (Or you might consider using MKL (or
> MKL's FFTW-wrapper feature), which I'd guess Intel supports on MIC. We are
> making MKL easier to use in 4.6.2.)
>
> Mark
>
> On Wed, Mar 20, 2013 at 7:41 AM, Anirban <reach.anirban.ghosh at gmail.com
> >wrote:
>
> > Dear ALL,
> >
> > I am trying to install GROMACS4.6.1 on Intel MIC processors. A question,
> > can GROMACS4.6.1 be compiled using FFTW optimization other than SSE/SSE2
> > (as Intel MIC does not support SSE2 instructions)?
> >
> > Regards,
> >
> > Anirban
> > --
> > gmx-users mailing list    gmx-users at gromacs.org
> > http://lists.gromacs.org/mailman/listinfo/gmx-users
> > * Please search the archive at
> > http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> > * Please don't post (un)subscribe requests to the list. Use the
> > www interface or send it to gmx-users-request at gromacs.org.
> > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> >
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> * Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>



More information about the gromacs.org_gmx-users mailing list