[gmx-users] AVX vs AVX2

[Bin Liu]

Dear Szilard,

I am very looking forward to the feature that using multiple GPUs without
domain-decomposition. When you say "the next version", what exactly did you
mean? GROMACS 5.1 or even later? It should be a tremendous beneficial
feature if 2 GPUs' scaling is reasonable, as the middle range GTX cards are
considerably cheaper than one high end card with the same number of CUDA
cores. Thanks.

Regards,

Bin



>
> Message: 2
> Date: Wed, 13 Aug 2014 14:44:40 +0200
> From: Szil?rd P?ll <pall.szilard at gmail.com>
> To: Discussion list for GROMACS users <gmx-users at gromacs.org>
> Subject: Re: [gmx-users] AVX vs AVX2
> Message-ID:
>         <CANnYEw6wQSo-+H=
> McE7YMWrvCibFy7g3xp5MxCo-5etpd+TnFw at mail.gmail.com>
> Content-Type: text/plain; charset=UTF-8
>
> On Wed, Aug 13, 2014 at 1:55 PM, Pappu Kumar <papuu_k at yahoo.com> wrote:
> > Thanks for your info. I am planning to buy one upcoming Haswell E-5820K
> to
> > use with 2x GTX 780Ti if feasible. So there will be six threads/GPU. I am
> > wondering if it will be good enough or I should go for 2x GTX 780.
>
> Did you mean the other way around, the 780Ti is considerable faster
> than the 780?
>
> What kind of systems/simulations will you be running? If you plan to
> use the machine for single runs and/or relatively small sysmtes, a
> single 780 Ti may be better. That's because at the moment in v4.6/5.0
> you need domain-decomposition to use >=2 GPUs and due to the initial
> domain-decomposition overhead (1 to 2 domains), the scaling from one
> to two GPUs is OK, but not great (and typically the smaller the
> simulation system the worse).
>
> We are working on making it possible to use multiple GPUs within a
> node without domain-decomposition for the next version.
>
> > I have
> > plans to overclock the CPUs by 10-20%.
>
> That should work quite well.
>
> --
> Szil?rd
>
> >
> > On Tuesday, 12 August 2014 9:11 PM, Szil?rd P?ll <pall.szilard at gmail.com
> >
> > wrote:
> >
> >
> > Yes, it definitely will. The difference will be quite pronounced in
> > CPU-only runs, but if you use a GPU this will shrink and could become
> > relatively small depending on the turbo/frequency scaling settings
> > you'll use.
> > --
> > Szil?rd
> >
> >
> > On Tue, Aug 12, 2014 at 9:37 AM, Pappu Kumar <papuu_k at yahoo.com> wrote:
> >> I am planning to buy an Intel Haswell-E 5820 processor which supports
> >> AVX2. I am wondering if it will have better performance than i7 4930K
> which
> >> supports AVX. Thank you.
> >
> >> --
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