[gmx-developers] performance 4.6.3 vs 5.0rc1

[Mirco Wahab]

On 27.06.2014 01:50, Vedran Miletić wrote:
> 2014-06-27 0:51 GMT+02:00 Mirco Wahab <mirco.wahab at chemie.tu-freiberg.de>:
>> gmx 4.6.3,  VS 2010, CUDA 5.5  =>  8.363 ns/day
>> gmx 4.6.5,  VS 2012, CUDA 6.0  =>  6.590 ns/day
>> gmx 5.0rc1, VS 2012, CUDA 6.0  =>  6.604 ns/day
>>
>> Maybe there are some significant "improvements"
>> hidden in the CUDA 6 interface?
>
> How about VS 2010 vs VS 2012 without GPU?

If it's late at night and it's already impossible
to keep both eyes open the same time, one should
stop posting performance figures. Sorry for that.
Here's the solution ...

Large system, MARTINI-Vesicle (2.4x10^6 atoms):
-----------------------------------------------
Windows, gmx 4.6.3,  GTX-780,  VS 2010, CUDA 5.5  =>  8.363 ns/day

Windows, gmx 4.6.3,  GTX-660Ti, VS 2010, CUDA 5.5  =>  6.610 ns/day
Windows, gmx 4.6.5,  GTX-660Ti, VS 2012, CUDA 6.0  =>  6.590 ns/day
Windows, gmx 5.0rc1, GTX-660Ti, VS 2012, CUDA 6.0  =>  6.604 ns/day

Therefore, the 8.36 vs 6.61 figure represents the gain
from a GTX-780 compared to a GTX-660Ti (which I missed
when I studied the old logfiles). CUDA 6 does not lead
to any performance degradation.

Regards & sorry for the confusion

M.