Re: [AMBER] Sufficient CPU cores/GPU ratio ?

From: Scott Le Grand <varelse2005.gmail.com>
Date: Wed, 14 Sep 2011 17:51:33 -0700

3 GB GTX 580s rock for single GPU runs (as many as you can do in a single
system) but are unstable in parallel runs...

On Wed, Sep 14, 2011 at 5:15 PM, Marek Maly <marek.maly.ujep.cz> wrote:

> Hello Jodi,
>
> first of all thanks a lot for sharing your experience with "P6T7 WS
> SuperComputer" + 4 x GPU
> and providing your benchmarks ! Your benchmark results are nice and as I
> checked
> they are very similar to that in Amber web (
> http://ambermd.org/gpus/benchmarks.htm )
> which is really positive surprise for me considering some rather more
> pessimistic prognoses
> regarding parallel GPU runs ( > 2 GPU) on the single socket systems in
> this discussion.
>
> Of course the melting issue of the power connection is a bit less
> optimistic information :((
>
> Did I understood well, that melting took place just on the ending which
> is connected with motherboard ?
>
> How long it worked well before this "accident" ? Were during this "OK
> period" successfully
> done some longer (at least some days) runs during which all 4 GPUs were
> fully busy ?
>
> If it worked well before this problem, what is in your opinion
> the reason of this actual melting issue ? For example could it be the
> reason some extremely long
> run on all 4 GPUs ? Failure of some cooling fan ? Do you have already some
> indications from "Microway/ASUS" regarding
> this issue ?
>
> Which is specification of your PSU ?
> (I am thinking about: SilverStone Strider Plus Series SST -ST1500 1500W )
>
> BTW just for curiosity regarding GPUs I am finally thinking about "MSI
> N580GTX Lightning Xtreme Edition"
> which seems to be actually the most powerful/precise 3GB GTX580 on the
> market.
>
> Thanks in advance for your eventual additional comments !
>
> Best wishes,
>
> Marek
>
>
>
>
>
>
>
> Dne Wed, 14 Sep 2011 17:50:21 +0200 Jodi Ann Hadden <jodih.uga.edu>
> napsal/-a:
>
> > Hi Marek,
> >
> > I have a GPU machine with the motherboard you were interested in (ASUS
> > P6T7 WS SuperComputer, single LGA1366 socket with the Intel X58
> > chipset). It has an Intel Xeon W3520 Nehalem 2.66 GHz quad core CPU and
> > 4x NVIDIA Tesla C2070s. Below are some numbers (ns/day) for this machine
> > running a subset of the official AMBER benchmark suite so you can get an
> > idea of the speedup we get when going to all 4 GPUs for a single job.
> >
> > Benchmark 1xC2070 2xC2070 3xC2070 4xC2070
> > GB/myoglobin 63.03 77.14 90.69 102.38
> > GB/nucleosome 1.10 1.34 1.68 1.97
> > GB/TRPCage 354.40 334.06 330.76 330.75
> > PME/Cellulose_production_NPT 1.97 2.76 3.29 3.56
> > PME/Cellulose_production_NVE 2.19 3.06 3.67 3.96
> >
> > As for the issue of cooling, this system is housed in a Lian Li chassis
> > (25x24.9x8.6) with three fans in the front, one in the back, and one on
> > top. I had also noted that the GPUs were getting extremely hot and
> > contacted Microway, the company who assembled the machine for us. The
> > assured me that they'd had experience with 4x Teslas in that chassis,
> > and that cooling was sufficient.
> >
> > I will warn you, however, that we recently experienced a socket burn
> > with this motherboard, where the 24-pin ATX power connection from the
> > PSU to the motherboard had the plastic melt off of some of the pins.
> > Microway/ASUS are replacing it for us under warranty, so hopefully we
> > just had a lemon.
> >
> > Hope this helps,
> >
> > Jodi Hadden
> > University of Georgia
> >
> > On Sep 13, 2011, at 1:17 PM, Marek Maly wrote:
> >
> > OK,
> > thanks again ! If anyone has experience with Amber calculations on
> > a single socket machine with a 4 core CPU equipped with 4 GPUs,
> > please comment.
> >
> > Best wishes,
> >
> > Marek
> >
> >
> >
> > Dne Tue, 13 Sep 2011 19:25:20 +0200 Ross Walker
> > <ross.rosswalker.co.uk<mailto:ross.rosswalker.co.uk>>
> > napsal/-a:
> >
> > first of all thanks a lot for your complex answer !
> > In fact I assume mainly independent single GPU jobs. So if I understood
> > well, in such case there should not be problem considering below
> > mentioned
> > motherboard/CPU/4xGPU. Am I right ?
> >
> > For single GPU runs (i.e. 4 independent jobs) then things should be fine
> > assuming the I/O can keep up etc. The caveat with that is that I have not
> > actually tried 4 GPUs in a single socket machine with a 4 core GPU so am
> > speaking from a theoretical standpoint here given how the AMBER GPU code
> > works. Someone else who is running such a system might want to chime in
> > with
> > some specific performance numbers if they have them.
> >
> > All the best
> > Ross
> >
> > /\
> > \/
> > |\oss Walker
> >
> > ---------------------------------------------------------
> > | Assistant Research Professor |
> > | San Diego Supercomputer Center |
> > | Adjunct Assistant Professor |
> > | Dept. of Chemistry and Biochemistry |
> > | University of California San Diego |
> > | NVIDIA Fellow |
> > | http://www.rosswalker.co.uk | http://www.wmd-lab.org/ |
> > | Tel: +1 858 822 0854 | EMail:-
> > ross.rosswalker.co.uk<mailto:ross.rosswalker.co.uk> |
> > ---------------------------------------------------------
> >
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> >
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Received on Wed Sep 14 2011 - 18:00:04 PDT
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