[gmx-developers] Gromacs on an IBM Power machine

[Nima soltani]

Mark Abraham <mark.j.abraham <at> 
gmail.com> writes:

> 
> 
> 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/document
ation/ would be most welcome feedback!
> 
> Mark
> 

Thanks for your reply dear Mark
I will try that
If you want me to run a specific system  
so that you can have the result for 
your benchmarking
Just let me know
Regards
Nima
> 
> 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
> > >
> > > * Please search the archive at
> > 
>http://www.gromacs.org/Support/Mailing
_
> Lists/GMX-developers_List before
> > > posting!
> > >
> > > * Can't post? 
Readhttp://www.gromacs.org/Support/Mail
ing_
> Lists
> > >
> > > * For (un)subscribe requests 
visit
> > 
>https://maillist.sys.kth.se/mailman/li
s
> tinfo/gromacs.org_gmx-developers or
> > > send a mail to gmx-developers-
> request <at> gromacs.org.
> --
> Gromacs Developers mailing list
> * Please search the archive at 
http://www.gromacs.org/Support/Mailing_
Lists/GMX-developers_List before 
posting!
> * Can't post? Read 
http://www.gromacs.org/Support/Mailing_
Lists
> * For (un)subscribe requests 
visithttps://maillist.sys.kth.se/mailma
n/listinfo/gromacs.org_gmx-developers 
or send a mail to gmx-developers-
request <at> gromacs.org.
> 
> 
>