Re: [AMBER] about GPU memory requirements

From: Thomas Evangelidis <tevang3.gmail.com>
Date: Wed, 14 May 2014 12:41:15 +0300

Another short question: is it too risky buying an overclocked GPU? Do I
need to place it in a room with constant low temperature?


On 14 May 2014 00:21, Ross Walker <ross.rosswalker.co.uk> wrote:

> Hi Thomas,
>
> The 'spread' on that survey should tell you mostly all you need to know.
> For the GeForce cards I don't there is really a huge difference. I tend to
> look for those that have the same cooling design as the Consumer Tesla
> cards - so that's why I have the eVGA ones listed on the website with the
> single ducked fan and metal body. But there is not a huge difference in
> any of them I believe. Pick one that looks sturdy with a reasonable price.
> You probably won't go wrong with major brands like eVGA, ASUS or PNY.
>
> All the best
> Ross
>
>
> On 5/13/14, 2:12 PM, "Thomas Evangelidis" <tevang3.gmail.com> wrote:
>
> >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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-- 
======================================================================
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 Wed May 14 2014 - 03:00:02 PDT
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