[gmx-developers] Gromacs on an IBM Power machine

[Mark Abraham]

Hi,

There's no formal released version of the code that runs the accelerated
non-bonded kernels on PowerN architectures. But the upcoming 2016 release
will do so. We're currently in beta mode, so trying out a download from
http://manual.gromacs.org/documentation/ would be most welcome feedback!

Mark

On Mon, Jun 20, 2016 at 7:30 AM Nima soltani <nima.slt at gmail.com> wrote:

>
>
> Szilárd Páll <pall.szilard <at>
> gmail.com> writes:
>
> >
> > On Thu, Jun 18, 2015 at 2:50 PM,
> Baker D.J. <D.J.Baker <at> soton.ac.uk>
> wrote:
> > > Hello,
> > >
> > >
> > >
> > > I’m not sure that this is the
> correct place to send my question,
> however
> > > please bear with me and help me to
> redirect my enquiry if necessary.
> > >
> >
> > I suggest we continue on the users'
> list, I just posted some
> > questions/suggestions there.
> >
> > For the gmx-dev's record, I can
> confirm what Berk stated already, GPU
> > accelerated performance should be
> close to similar high-end Haswell
> > setups (see http://on-
> demand.gputechconf.com/gtc/2015/present
> ation/S5434-Erik-Lindahl.pdf
> > for more details).
> >
> > --
> > Szilárd
> >
> > >
> > > We recently received delivery of
> two Power8 machines—one of the machines
> has
> > > a K40 GPU installed. I have read
> that interesting reports that Gromacs
> > > performs well on Power8 systems,
> especially if there’s a GPU card
> available.
> > > I have been doing some experiments,
> and so far I’ve have been very
> > > disappointed by the performance of
> Gromacs. At this stage I am just
> working
> > > on one of the “water” examples
> (1536). I am working with the very
> latest
> > > gromacs (5.1) and I have tried
> configuring with GMX_SIMD=IBM_VSX,
> however
> > > when I try a parallel run I still
> get this warning:
> > >
> > >
> > >
> > > WARNING: Using the slow plain C
> kernels. This should
> > >
> > > not happen during routine usage on
> supported platforms.
>
>
>
>
>
> Hi everyone
> I have the same problem on power7
> machine
> Slow plain C kernel warning appears on
> the screen and the performance is not
> what we had already expected
> Does anybody know how to correct this?
>
>
>
>
>
>
>
>
>
>
> > >
> > >
> > >
> > > Could someone please advise how I
> should configure and install Gromacs to
> > > get the best out of our Power8
> machines.
> > >
> > >
> > >
> > > Best regards,
> > >
> > >
> > >
> > > David.
> > >
> > >
> > > --
> > > Gromacs Developers mailing list
> > >
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>
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