Re: [AMBER] cuda versions advice

From: Scott Brozell <sbrozell.rci.rutgers.edu>
Date: Thu, 4 Sep 2014 12:29:05 -0400

Hi,

I'm glad i asked; i assume that the 5% perf regression applies to
non Amber software, eg, other MD codes ?
Can you provide more details on the perf regression, compiler bug,
etc.? Are there published benchmarks demonstrating the issues?

This information would be useful to those of us forming compute policies
and for communicating both up and down our chains of command.

Thanks for the info and updating http://ambermd.org/gpus/
with this advice.

scott

On Tue, Sep 02, 2014 at 02:02:43PM -0700, Ross Walker wrote:
> To add some info.
>
> CUDA 6.5 is supported as of last week for AMBER 14 - see update.6
>
> The 5% perf regression over cuda 5.0 still exists in 6.5 though so 5.0 is
> still the recommended version. I believe a fix for the perf regression is
> planned for cuda 7.0.
>
> On 9/2/14, 1:26 PM, "Scott Le Grand" <varelse2005.gmail.com> wrote:
> >The first rule of PMEMD Club is CUDA 5.0
> >
> >The second rule of PMEMD Club is CUDA 5.0.
> >
> >Were you thinking of building with 5.5, 6.0, or 6.5? OK. sure. We'll
> >throw in a 5-10% unfixable perf regression (compiler bug introduced in
> >5.5)
> >for no additional charge.
> >
> >
> >On Tue, Sep 2, 2014 at 12:50 PM, Scott Brozell <sbrozell.rci.rutgers.edu>
> >> Are there particular reasons to build Amber14 with a specific cuda
> >>version
> >> among 5.0, 5.5, and 6.0 ? (aside from newer is better)
> >>
> >> When is Amber support for cuda 6.5 expected ?
> >> The target machine has
...

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Received on Thu Sep 04 2014 - 09:30:02 PDT
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