Re: [AMBER] Anyone running machines with Quad GPU setups

From: Jan-Philip Gehrcke <jgehrcke.googlemail.com>
Date: Sat, 22 Jun 2013 19:29:18 +0200

On 22.06.2013 19:10, ET wrote:
> effectively PCI2 2.0 x16 rate. Would this present any problems, if you
> were running the serial GPU code, From what I read on the AMBER GPU
> hardware page, this is more important for the parallel GPU code? Though, I
> imagine having 4x serial ruins going simultaneously would also tax the GPU
> to CPU interface, though how much I'm not sure.

For serial runs, the PCI-Express bandwidth (or CPU <-> GPU bandwidth in
general) will never be the limiting factor. Amber's serial simulations
basically are autarkical, the GPU is not required to talk to the host
system at all once running the simulation. Only for writing the output
data to disk (i.e. trajectory file as well as restart, mdout and mdinfo
files) this communication takes place from time to time. Keep these
writing frequencies in a reasonable regime and again the PCI-Express
bandwidth won't matter (from one simulation, you do not even want to
write 1 MB/s to disk for a couple of days, right?).

For parallel runs, the picture is *entirely* different, yes.

>
> [...]
>
> https://www.asus.com/Motherboards/P9X79E_WS/#specifications
>
> However, I'm unsure whether this is overkill for running 4xGPUs doing AMBER
> serial code.



>
> What do you guys think?
>
> br,
> g
>
>
>
> On 22 June 2013 16:15, Scott Le Grand <varelse2005.gmail.com> wrote:
>
>> Does this MB support full p2p at 16x PCIE Gen 3 speeds between all 4 GPUs?
>> On Jun 21, 2013 4:09 PM, "Divi/GMAIL" <dvenkatlu.gmail.com> wrote:
>>
>>>
>>> ET:
>>> I am using GA-Z77X-UP7 that has PLX chipset and supports 3rd Gen
>> LGA1155
>>> socket. Bought together with 2 TITANS sometime in March.
>>> It has been running pretty stable 24/7 since then. I thought of buying
>>> two more titans later to fill all four slots. With so much mess going on
>>> with TITANS, I put off that plan until the dust settles. You might want
>> to
>>> check new 4th GEN cpus and supporting motherboards as the Hardware keep
>>> changing pretty rapidly these days.
>>>
>>> I have i5-processor with 16 GB ram and 256 GB SSD. All four PCI-E
>> lanes
>>> are X-16. It also has native X-16 link directly "hardwired" to CPU-lanes
>>> that will bypass PLX chipset, in case if you run single GPU. This might
>>> reduce a bit of latency but not much. I get 35ns/day on FIX/NVE benchmark
>>> bypassing PLX chipset, but get about 34ns/day using PLX chipset (on TITAN
>>> of
>>> course!!). Not a deal breaker..
>>>
>>> Link below:
>>>
>>> http://www.gigabyte.com/products/product-page.aspx?pid=4334#ov
>>>
>>> HTH
>>> Divi
>>>
>>> -----Original Message-----
>>> From: ET
>>> Sent: Thursday, June 20, 2013 8:18 PM
>>> To: AMBER Mailing List
>>> Subject: [AMBER] Anyone running machines with Quad GPU setups
>>>
>>> Hi all,
>>>
>>> I was looking at getting a new mobo to run a quad GPU system. I was
>>> wondering if anyone has done this. If you could post the model & make of:
>>>
>>> 1) motherboard
>>> 2) CPU
>>> 3) RAM
>>> 4) Case
>>> 5) The aggregate estimate of ns in simulation you have run on your setup
>>> without issue,
>>>
>>> I would be much obliged! :)
>>>
>>> br,
>>> g
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Received on Sat Jun 22 2013 - 10:30:03 PDT
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