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
Received on Mon Jun 14 2010 - 12:30:03 PDT
