Hi Jason,
Absolutely! Hop on to our Wednesday morning meeting at 830 AM CT. I can
send zoom coordinates if this time works for you.
With best regards,
Dhruv
On Thu, Feb 3, 2022 at 9:44 AM Jason Swails <jason.swails.gmail.com> wrote:
> On Thu, Feb 3, 2022 at 8:44 AM Ross Walker <ross.rosswalker.co.uk> wrote:
>
> > And in there lies the real problem. IMHO benchmark numbers should be what
> > the average user will get out of the box on reasonably priced hardware
> > without tinkering. If you want numbers that are actually useful in the
> real
> > world I'd suggest benchmarking by finding a grad student or postdoc who
> is
> > using MD in their work but is not a developer. Give them a typical
> > workstation that can be purchased for <$6K and a list of PDB IDs to run.
> > Ask them to report back the performance they get with various codes.
> >
> > That will give you a real world benchmark that is actually useful.
> >
>
> for running MD codes on commodity workstations purchased for <$6K.
> Otherwise you'd need to run the benchmark on whatever hardware you actually
> plan on using for them to be actually useful. [1]
>
> You'll obviously get some performance variability when performance depends
> on so many things, but to declare that the only useful benchmarks are those
> that run under conditions known to be optimal for one code at the expense
> of another is disingenuous. [2] All benchmarks are useful [3] if you know
> how to read them and understand the caveats (I'd wager most people do to a
> reasonable extent). Performance differences that don't come close to an
> order of magnitude won't do all that much to move the needle. You aren't
> going to go from the us -> ms regime by running 50% faster.
>
> Dhruv, I'd be interested in seeing those benchmarks.
>
> Thanks,
> Jason
>
> [1] For narrow definitions of "useful"
> [2] Recall the only benchmarks we published pre-2012 were performed on
> supercomputers
> [3] In the sense that it allows you to make more informed choices
>
> --
> Jason M. Swails
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Received on Thu Feb 03 2022 - 08:00:03 PST
