[molpro-user] CUDA-accelerated Part of Molpro v 2012.1

Andy May MayAJ1 at cardiff.ac.uk
Mon Oct 1 19:31:52 BST 2012


There appears no documentation about the code in the manual so perhaps 
it is not yet ready for production. I believe it is for DFT, but maybe 
the code authors can comment further.

Best wishes,


On 10/09/12 21:29, Ismail, Mohd F. wrote:
> Hi,
> I have search the user manual, but there isn't a description of which
> part of Molpro is CUDA-accelerated.  However, in the compile section,
> there is an option for compiling with CUDA support.  Can somebody please
> shed some light on this?
> --Farid
> Graduate Student
> Dept. of Chemistry/Biochemistry
> University of Oklahoma
> Norman 73019
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> Molpro-user at molpro.net
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