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

From: Marek Maly <marek.maly.ujep.cz>
Date: Thu, 15 Sep 2011 02:15:32 +0200

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> |
> ---------------------------------------------------------
>
> Note: Electronic Mail is not secure, has no guarantee of delivery, may
> not
> be read every day, and should not be used for urgent or sensitive issues.
>
>
>
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org<mailto:AMBER.ambermd.org>
> http://lists.ambermd.org/mailman/listinfo/amber
>
> __________ Informace od ESET NOD32 Antivirus, verze databaze 6459
> (20110913) __________
>
> Tuto zpravu proveril ESET NOD32 Antivirus.
>
> http://www.eset.cz
>
>
>
>
>
> --
> Tato zpráva byla vytvořena převratným poštovním klientem Opery:
> http://www.opera.com/mail/
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
> __________ Informace od ESET NOD32 Antivirus, verze databaze 6462
> (20110914) __________
>
> Tuto zpravu proveril ESET NOD32 Antivirus.
>
> http://www.eset.cz
>
>
>


-- 
Tato zpráva byla vytvořena převratným poštovním klientem Opery:  
http://www.opera.com/mail/
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Sep 14 2011 - 18:00:02 PDT
Custom Search