Hi guys,
I got the message. GPUs are for single jobs.
What about the manufacturer? I can find the same NVIDIA chip set with
varying prices according to the manufacturer. Is there noticeable
difference in the speed, cooling, etc? I found various statistics on the
internet, like this one:
http://www.tomshardware.co.uk/forum/246796-33-what-manufacturer
On the website you recommend EVGA GPUs. Would recommend against purchasing
the same chip set from a cheaper manufacturer?
thanks,
Thomas
On 12 May 2014 22:20, Ross Walker <ross.rosswalker.co.uk> wrote:
> Hi Thomas,
>
>
> There is no advantage in terms of performance - it really is just the
> maximum system size you can simulate. What you mention with regards to
> REMD is the only other case where more memory helps you but it's really
> not advisable to overload the GPU with multiple replicas. Firstly
> everything has to fit in memory on the GPU plus there is all the overhead
> of task switching which will likely destroy performance. The GPU REMD in
> AMBER is really designed for running across multiple GPUs where there are
> at least 1 GPU per replica. Annoying I know but it was a simple way of
> figuring out how to make use of the monstrous GPU supercomputers people
> are building.
>
> All the best
> Ross
>
> On 5/12/14, 11:58 AM, "Thomas Evangelidis" <tevang3.gmail.com> wrote:
>
> >Dear AMBER community,
> >
> >Is there any other advantage of having a GPU with big memory apart from
> >the
> >maximum system size it can endure?
> >
> >http://ambermd.org/gpus/#supported_gpus
> >
> >I am not sure if it's worth running replica exchange on a single GPU if no
> >sufficient CPU resources are available. For example, if I have a single
> >workstation with an i7 processor (8 threads) and a GTX 680 2GB will it be
> >much faster running 8 replicas of Hamiltonian Replica Exchnage on the GPU
> >for a system of <100 K atoms? Will I be able to use more replicas if the
> >GPU has 4 GB of memory?
> >
> >thanks,
> >Thomas
> >
> >
> >PS: Btw, if anyone sells any good-performing GPU in good condition please
> >contact me privately.
> >
> >
> >--
> >
> >======================================================================
> >
> >Thomas Evangelidis
> >
> >PhD student
> >University of Athens
> >Faculty of Pharmacy
> >Department of Pharmaceutical Chemistry
> >Panepistimioupoli-Zografou
> >157 71 Athens
> >GREECE
> >
> >email: tevang.pharm.uoa.gr
> >
> > tevang3.gmail.com
> >
> >
> >website: https://sites.google.com/site/thomasevangelidishomepage/
> >_______________________________________________
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>
>
>
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--
======================================================================
Thomas Evangelidis
PhD student
University of Athens
Faculty of Pharmacy
Department of Pharmaceutical Chemistry
Panepistimioupoli-Zografou
157 71 Athens
GREECE
email: tevang.pharm.uoa.gr
tevang3.gmail.com
website: https://sites.google.com/site/thomasevangelidishomepage/
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Received on Tue May 13 2014 - 14:30:04 PDT
