Re: run tests with CUDA

From: Massimiliano Porrini (M.Porrini_at_ed.ac.uk)
Date: Wed May 04 2011 - 11:45:09 CDT

Dear Axel and Nicholas,

Thank you very much for your useful replies.

I tried with a slightly bigger system (36,230 atoms) and I could
see the expected performances.

Therefore, apparently, it was just matter of the size of the system.

All the best,
MP

2011/5/3 Nicholas M Glykos <glykos_at_mbg.duth.gr>:
>
> Hi Massimiliano,
>
>> with a total number of atoms equal to 14038.
>
> With hardware much inferior to yours (an i7 + GTX295), we observe²
> significant improvement (for the CUDA-enabled runs) only for systems
> containing more than ~20K atoms.
>
> Nicholas
>
>
> ² http://norma.mbg.duth.gr/index.php?id=about:benchmarks:namdv27cuda
>
>
> --
>
>
>          Dr Nicholas M. Glykos, Department of Molecular Biology
>     and Genetics, Democritus University of Thrace, University Campus,
>  Dragana, 68100 Alexandroupolis, Greece, Tel/Fax (office) +302551030620,
>    Ext.77620, Tel (lab) +302551030615, http://utopia.duth.gr/~glykos/
>

-- 
Dr Massimiliano Porrini
P. E. Barran Research Group
Institute for Condensed Matter and Complex Systems
School of Physics & Astronomy
The University of Edinburgh
James Clerk Maxwell Building
The King's Buildings
Mayfield Road
Edinburgh EH9 3JZ
Tel +44-(0)131-650-5229
E-mails : M.Porrini_at_ed.ac.uk
             mozz76_at_gmail.com
             maxp_at_iesl.forth.gr

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