[Pw_forum] Could Q-E benefit a lot from GPU computation.

[vega lew]

Dear Sir,

Thank you for your reply.

I wonder whether Q-E has any stratagem to on porting Q-E to GPU computers
with CUDA? Is there a schedule for this?

Thank you again for you time.

best,

vega

On Sat, Oct 17, 2009 at 4:14 PM, Paolo Giannozzi <giannozz at democritos.it>wrote:

>
> On Oct 17, 2009, at 7:54 , vega lew wrote:
>
> > But the most important thing is that the computer center only has GPU
> > with CUDA for calculation instead of CPU with Fortran. Is there a
> > possibility
> > now to transplant the current Q-E code easily to the GPU computer with
> > single precession? Do you think Double precession is so important
> > for Q-E codes?
>
> you mean: single/double "precision" ? I think double precision is
> important.
> Anyway, there is some ongoing work on porting Q-E to GPUs.
>
> P.
> ---
> Paolo Giannozzi, Dept of Physics, University of Udine
> via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
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-- 
==================================================================================
Vega Lew ( weijia liu)
PH.D Candidate in Chemical Engineering
State Key Laboratory of Materials-oriented Chemical Engineering
College of Chemistry and Chemical Engineering
Nanjing University of Technology, 210009, Nanjing, Jiangsu, China
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Email: vegalew at gmail.com
Office: Room A705, Technical Innovation Building, Xinmofan Road 5#, Nanjing,
Jiangsu, China
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