[gmx-users] Cuda not detected

[Gianluca Santoni]

On 11/17/11 10:10 PM, Andrzej Rzepiela wrote:
> Hey,
>
> thank you for the hint. I just finished the tests. The machine 
> is  Intel xeon R, 12 cores , 4 Teslas M2090  and 96 gb of memory.
> I used the most demanding PME dhfr benchmark system ( 7000w + protein) 
> and obtained the following results:
>
> 1 cpu core run: 2.135 ns a day
> 12 cpu cores run: 21.478 ns a day
>
> 1 gpu unit run ( how many cpu cores are used, one ? ):   13.0 ns/day
>
> 4  parallel gpu runs on the node,  performance:   12.884, 10.296, 
> 8.290 and  6.953 ns/day, which is on average about  9.6 ns for one gpu.
>
> From your experience, are this expected numbers ? From the benchmarks 
> on the website I had e feeling that the gpu runs will be faster.
GPU is faster with implicit solvent and other constraints up to now. 
They are optimizing everything for the next version of gromacs
http://www.gromacs.org/Developer_Zone/Roadmap/GROMACS_4.6

More detailed info on the gromacs manual.
>
>



-- 
Gianluca Santoni,
Institut de Biologie Structurale
41 rue Horowitz
Grenoble
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