Another comment - the way I tested this stuff was to include code that forced very rapid rebalance (for test only). That way, I could see balancing effects within the time window that dynamics does not drift due to fp rounding error.
- Bob
________________________________________
From: Scott Le Grand [varelse2005.gmail.com]
Sent: Wednesday, September 19, 2012 11:18 AM
To: AMBER Mailing List
Subject: Re: [AMBER] Loading across GPUs
And PS anything but static load balancing would lead to nondeterministic
execution and that's a dealbreaker for my inner software engineer...
On Sep 19, 2012 5:50 AM, "Jason Swails" <jason.swails.gmail.com> wrote:
>
>
> On Sep 19, 2012, at 5:57 AM, Adam Jion <adamjion.yahoo.com> wrote:
>
> > Hi,
> >
> > Is it possible to control the computational loading across the GPUs for
> a multi-GPU run of Amber?
> > That is, I want GPU 1 to do 75% of the computation whilst GPU 2 does 25%
> of the computation.
>
> No. The only reason I could imagine wanting to try this is if the 2 GPUs
> are different and one is slower.
>
> If this is the case, you basically have to use them for different
> simulations. For parallel sims, because of the serial nature of Molecular
> Dynamics, a parallel job could very easily be slower than one run on the
> fastest GPU (since it will be waiting for the slowest one to finish).
>
> HTH,
> Jason
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Candidate
> 352-392-4032
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Wed Sep 19 2012 - 12:30:04 PDT
