Thanks for the info, Scott. Yes, I've noticed that power can be an issue..
Ross, I'll test your input on a GTX480 in the next few days. Will post
back with comparison.
Sasha
Scott Le Grand wrote:
> C2050 will smash a GTX480 in DPDP mode...
>
> 1.5x to 2x faster the last time I tried it... But since my GTX480 committed suicide last month (emanating a delicious but likely amazingly toxic curry-like scent in the process) I haven't been able to test lately.
>
> That said, it's 20-30% better than C2050 at SPDP but likely won't be as good at multi-GPU (untested hypothesis there) and prone to instability without slavish attention to power and cooling, something which the Folding.Home people bemoan whenever their hand-me-down SLI gaming computer is turned into a mini folding farm.
>
>
>
> -----Original Message-----
> From: Ross Walker [mailto:ross.rosswalker.co.uk]
> Sent: Friday, June 11, 2010 07:50
> To: 'AMBER Mailing List'
> Subject: Re: [AMBER] pmemd.cuda DPDP performance on GTX480 vs C2050?
>
> 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
>
>
>
>
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Received on Fri Jun 11 2010 - 10:30:07 PDT
