[molpro-user] GPGPU calculation for Molpro?

Gang gl525 at york.ac.uk
Mon Jun 29 11:13:39 BST 2009

Dear All,
I don't whether this question should be post here. But I think some of 
you might be interested in it.
It is about the GPGPU calculation.  People claim that this graphic 
processor associated calculation could increase the speed of some 
programs by a factor of 5 - 100, which is quite impressive. And PGI just 
released a new compiler base on this new technology.   The GPGPU 
calculation seems quite good at matrix operation and image processing. 
Which kind of operations are molpro doing?  Will GPGPU calculation 
increase the speed of molpro quite a lot?
Best wishes!

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