Hi Michael,
I'm not overly fond of Wiki's since they take a lot of effort to keep from
swelling with lots of unverifiable info. However, the entire benchmark suite
is available here: http://ambermd.org/gpus/AMBER11_GPU_Benchmarks.tar.bz2
If people want to volunteer running it on different GPUs and send me the
results I will happily add the info to the GPU benchmark page:
http://ambermd.org/gpus/benchmarks.htm#Benchmarks
Note the SPSP results are largely anecdotal since the use of full single
precision leads to all sorts of artefacts in the simulations (more info
coming soon) so really it is the default SPDP performance that matters and,
if you are conservative, the DPDP results although that is largely for
debugging purposes at present.
All the best
Ross
> -----Original Message-----
> From: michael bane [mailto:michael.bane.manchester.ac.uk]
> Sent: Monday, June 14, 2010 12:36 PM
> To: AMBER Mailing List
> Subject: Re: [AMBER] pmemd.cuda DPDP performance on GTX480 vs C2050?
>
> I'm just wondering if we can put such timing exercises as these on a
> general web/wiki page somewhere for ease of comparison? thanks, Michael
> http://www.rcs.manchester.ac.uk/mkbane
>
> On 14 Jun 2010, at 20:09, Sasha Buzko wrote:
>
> > Hi Ross,
> > I ran the Factor IX benchmark with your input file on a GTX480.
> > Surprisingly, it's not significantly slower than your C2050 test, at
> > least with this system.
> > With your input, it completed in 956.84 s total time, or about 1.806
> > ns/day (DPDP mode). The SPSP version finished in 239.8 s (7.206
> ns/day).
> > And the default SPDP version took 257.41 s or 6.713 ns/day.
> >
> > For the sake of completeness, the GTX480 is on a desktop with dual
> > dual-core Xeon 5160 (3.00 GHz) and 8 GB of RAM.
> >
> > Sasha
> >
> >
> > Ross Walker wrote:
> >> Hi Sahsa
> >>
> >>
> >>> has anyone compared performance of pmemd.cuda in DPDP mode on
> GTX480
> >>> and
> >>> C2050?
> >>> Tesla cards are supposed to have a better double precision
> performance,
> >>> but how much better in the event of an all-double pmemd code?
> >>> Thanks for any info
> >>>
> >>
> >> I don't have a GTX480 so have not been able to compare the
> differences,
> >> however, here are the numbers for C2050, I'd be interested to see
> the
> >> difference.
> >>
> >> FACTOR - IX
> >>
> >> NVE 128x64x64 FFT
> >> Typical Production MD NVE with
> >> GOOD energy conservation.
> >> &cntrl
> >> ntx=5, irest=1,
> >> ntc=2, ntf=2, tol=0.000001,
> >> nstlim=10000,
> >> ntpr=1000, ntwx=1000,
> >> ntwr=10000,
> >> dt=0.002, cut=8.,
> >> ntt=0, ntb=1, ntp=0,
> >> ioutfm=1,
> >> /
> >> &ewald
> >> dsum_tol=0.000001,nfft1=128,nfft2=64,nfft3=64,
> >>
> >> /
> >>
> >>
> >> SPSP SPDP (Default) DPDP
> >> Specs Time (s) NS/day Time (s) NS/day Time (s)
> >> NS/day
> >> 8 proc N/A N/A 1034 1.671179884
> >> GTX295 395.46 4.369594902 525.6 3.287671233 2469.18
> 0.699827473
> >> C1060 366.25 4.718088737 492.84 3.506208912 2354.73
> 0.733842097
> >> C2050 311.34 5.550202351 333.04 5.188565938 706.98
> 2.44419927
> >>
> >>
> >>
> >>
> >> Myoglobin = 2492 atoms
> >>
> >> &cntrl
> >> imin=0,irest=1,ntx=5,
> >> nstlim=10000,dt=0.002,ntb=0,
> >> ntf=2,ntc=2,tol=0.000001,
> >> ntpr=1000, ntwx=1000, ntwr=50000,
> >>
> >> cut=9999.0, rgbmax=15.0,
> >> igb=1,ntt=0,nscm=0,
> >> /
> >>
> >> SPSP SPDP (Default) DPDP
> >> Specs Time (s) NS/day Time (s) NS/day Time (s)
> >> NS/day
> >> 8 proc N/A N/A 395.73 4.3666136
> >> GTX295 39.62 43.61433619 64.99 26.58870595 3.0 Compiler
bug
> >> #VALUE!
> >> C1060 37.79 45.72638264 61.94 27.89796577 3.0 Compiler
bug
> >> #VALUE!
> >> C2050 31.39 55.04937878 34.6 49.94219653 155.7
11.0982659
> >>
> >> All the best
> >> Ross
> >>
> >>
> >>
> >>
> >> _______________________________________________
> >> 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
>
>
> _______________________________________________
> 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
Received on Mon Jun 14 2010 - 14:00:05 PDT
