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

From: Kevin Hauser <84hauser.gmail.com>
Date: Mon, 24 Jun 2013 19:40:03 -0400

A good bit late to the discussion, but we've been having success with a
relatively cheap setup ~ $3,200 per machine and five machines (about 3
weeks of production burning; acceptable temperatures; see below).

Bad news first:
We lost one GPU (out of 20). Not bad, considering our expectations from
commodity kit.

Briefly, we got five quad-GPU boxes running EVGA GTX680-FTW, Intel i7-3820,
on the GigaByte GA-X79-UD3 LGA2011 mobo. # See slide one of attached *pdf
for overview.

Discussion on our kit:
The Antec P280 cases are great b/c all metal is rubber coated for quiet
running, there's three fans included, a quick mount for a fourth 120mm fan,
and space for half-dozen HDDs. It's pretty heavy, though (22 lbs, dry).
--$110

The CPU is what it is; from our vendor, cpu cooler is not included. We got
the Cooler Master Hyper212 --$300 + $33

The mobos appear to be well manufactured, especially given the price (half
of ET's Asus kit). BUT, I needed to take apart the power and reset
terminals connecting case to mobo so the last GPU fully seats into the
mobo. -- $230 # See slide two of attached *pdf.

Good news last:
I took the DHFR test case (mdin below) and ran it for 100 ps. I left ntpr=1
to see when and where things got funky... Every single GPU in all five
"nodes" produced identical mdouts. Afterwards, we had that one GPU die,
though. I'm getting double the speed we were getting on our center's mega
expensive server (Tesla M2070s).
custom short md
 &cntrl
   nstlim=100000, ig=11,ioutfm=1,ntxo=2,
   ntx=5, irest=1,
   ntc=2, ntf=2,
   ntpr=1, ntwr=10000,
   dt=0.002,
   ntt=1, tautp=10.0,
   temp0=300.0,
   ntb=2,ntp=1,taup=10.0,
 /


Burn test info:
Overall, our GPUs have not exceeded 90 C, yet. Max sustained we've seen is
87 C. They're in our old, cold server room.

Only down time last three weeks or so was when we were sorting out our NFS
or PXE or Slurm queuing system (only a few hours, really). Slurm is
actually quite nice, simple, and very free.

Of course, the intake fans for the GPUs (save bottom one) suck air right
off the heat sink of the GPU below it. The GPUs are cleverly tapered right
where the intake fans face the heat sink, leaving a whopping 2 or so
millimeters for air. On slide one, we installed a massive fan to ram fresh
air into the intakes (mod_1). Tests show that 3 GPUs heat up to 85 C +/- 2
(CVD=0,1,3) and 1 GPU to 76 C (CVD=2). Cooler Master R4-MFJR-07FK-R1 200mm
MegaFlow --$19 # cvd=cuda_visible_device

On slide 3, you can see I ghetto-fabricated a cardboard box that ducts air
from a 120mm fan directly into the GPUs' intake-tapered section (mod_2).
Tests show that CVD=0 hits 84 C, CDV=1 hits 83 C, CVD=2 hits 74 C, and
CVD=3 hits 82 C. Benefit, the case has a very simple clip-on mount for
120mm. Downside, we needed that duct to realize benefit. We yanked a fan
from the top of the case that was needlessly serving the CPU.


HTH,
kevin


On Mon, Jun 24, 2013 at 2:48 PM, ET <sketchfoot.gmail.com> wrote:

> Thanks for the further info Ross! :)
>
> Decided in the end to go for a Asus P8Z77 WS board with a Intel i7 3770K.
> Slightly overkill, but needed to proof it in the event of resale or finding
> another use for it.
>
> br,
> g
>
>
> On 25 June 2013 03:44, <deeptinayar.gmail.com> wrote:
>
> >
> > Sent from my BlackBerry® smartphone from !DEA
> >
> > -----Original Message-----
> > From: ET <sketchfoot.gmail.com>
> > Date: Sat, 22 Jun 2013 20:45:20
> > To: AMBER Mailing List<amber.ambermd.org>
> > Reply-To: AMBER Mailing List <amber.ambermd.org>
> > Subject: Re: [AMBER] Anyone running machines with Quad GPU setups
> >
> > Looks like the Asus P9X79-E WS is for you then Scott! :) Haven't seen
> many
> > (if any!) boards with that anount of bandwidth so far.
> >
> > br,
> > g
> >
> >
> > On 22 June 2013 19:31, Scott Le Grand <varelse2005.gmail.com> wrote:
> >
> > > It may be overkill now but I'm planning to revisit the Multi GPU code
> in
> > > the near future and that's why I need a motherboard that can really
> take
> > > advantage of it.
> > > On Jun 22, 2013 10:12 AM, "ET" <sketchfoot.gmail.com> wrote:
> > >
> > > > Hi,
> > > >
> > > > Thanks v much for you specs Divi. :) I've been debating with myself
> as
> > my
> > > > board as it looks good and has a very nice spec. From what I've read,
> > the
> > > > only problems with it is the higher than average power draw.
> > > >
> > > > .Scott. I believe the board runs in x8/x8/x8/x8 for a 4 GPU config -
> so
> > > > 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.
> > > >
> > > > Apparently, if you are going intel, you can only acheive PCIe 3.0
> using
> > > at
> > > > least a Sandy Bridge-E or ivy bridge CPU in a socket 155. Please
> > correct
> > > me
> > > > if I have understood this incorrectly though.
> > > >
> > > > http://www.enthusiastpc.net/articles/00003/3.aspx
> > > >
> > > >
> > > > A socket 2011 proposition would be the Asus P9X79-E WES which has 2x
> > PLX
> > > > PEX 8747 chips so can run at x16/x16/x16/x16 with four GPUs
> > > >
> > > > 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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> > > > > > AMBER.ambermd.org
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-- 
-- - -
HK
════════════════════════════════════════════
Kevin E. Hauser, Ph.D. Candidate
NRSA Fellow, National Institutes of Health
Carlos Simmerling Laboratory
Miguel Garcia-Diaz Laboratory
100 Laufer Center for Physical and Quantitative Biology
Stony Brook, New York 11794-5252
Phone: (631) 632.5394  Email:  84hauser.gmail.com
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Received on Mon Jun 24 2013 - 17:00:02 PDT
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