Hi,
GPU experts may want to weigh in on this, but my opinion is that the
extra cycles you get from the overclock are not going to be worth the
potential problems it may introduce (higher temperature, decreased
stability, etc). For playing games it's fine since you won't notice a
calculation error on your screen out of the millions of calcs that are
going on, but for running simulations that error can be costly.
To sum up, in my opinion when running simulations I'll sacrifice some
speed for stability any day.
-Dan
On Wed, May 14, 2014 at 3:41 AM, Thomas Evangelidis <tevang3.gmail.com> wrote:
> 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/
>> >> >_______________________________________________
>> >> >AMBER mailing list
>> >> >AMBER.ambermd.org
>> >> >http://lists.ambermd.org/mailman/listinfo/amber
>> >>
>> >>
>> >>
>> >> _______________________________________________
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>> >> AMBER.ambermd.org
>> >> http://lists.ambermd.org/mailman/listinfo/amber
>> >>
>> >
>> >
>> >
>> >--
>> >
>> >======================================================================
>> >
>> >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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>> >AMBER.ambermd.org
>> >http://lists.ambermd.org/mailman/listinfo/amber
>>
>>
>>
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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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> http://lists.ambermd.org/mailman/listinfo/amber
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
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Received on Wed May 14 2014 - 10:30:03 PDT
