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

Stefano de Gironcoli degironc at sissa.it
Sat Oct 17 21:19:34 CEST 2009


there is interest and we are in contact with someone that has started  
making some experiment. the problem as usual is human time and  
expertise.
stefano

Quoting vega lew <quantumdft at gmail.com>:

> 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
> ******************************************************************************************************************
> Email: vegalew at gmail.com
> Office: Room A705, Technical Innovation Building, Xinmofan Road 5#, Nanjing,
> Jiangsu, China
> ******************************************************************************************************************
>



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