[molpro-user] Is GPU based number crunchers better for MOLPRO?

[Peter Knowles]

At present, Molpro has no facilities to exploit a GPU, except,  
perhaps, through a BLAS library. Although there are some plans to  
address this, it would, in my opinion, be premature to consider this  
when making hardware procurement decisions now.

Peter

On 18 Jun 2009, at 11:47, S. V. K. Kumar wrote:

>
> I have learnt that GPU based number crunchers like the Supermicro  
> SS6016
> series of servers enhance computation powers by a large factor. Will  
> MOLPRO
> 2008 be able to run much faster with such servers. Does it need any  
> extra
> utilities? Please let me know so that I can add one such server to  
> my group.
>
>
> Recently HP was trying to convey that clusters based on similar  
> architecture
> will outperform the standard Intel Xeon or AMD Opteron based  
> clusters. Is it
> a good idea to go for GPU based clusters for use with MOLPRO?
>
> S. V. K. Kumar
> -------------------------------------------------
> Prof. S. V. K. Kumar
> PAM Laboratory
> Tata Institute of Fundamental Research
> Homi Bhabha Road, Colaba
> Mumbai 400 005, India
> E-Mail : svkk at tifr.res.in
> Phone  : +91 - 22 - 2278 2400 (Office)
>       : +91 - 22 - 2278 2729 (Lab)
> FAX    : +91 - 22 - 2280 4610 / 4611
> Webpage: http://chatura.tifr.res.in/~svk
> ---------------------------------------------------
>
>
> <GPU_2page.pdf>

--
Prof. Peter J. Knowles
School of Chemistry, Cardiff University, Main Building, Park Place,  
Cardiff CF10 3AT, UK
Telephone: +44 29208 79182 Fax: +44 2920874030 Email KnowlesPJ at Cardiff.ac.uk
WWW http://www.cardiff.ac.uk/chemy/contactsandpeople/academicstaff/knowles.html