The ABINIT Users Mailing List ( CLOSED )

[Steven Homolya <Steven.Homolya@spme.monash.edu.au>]

Dear All,

I noticed that for d-electron elements, the high ecut required means that
FFTs dominate memory and CPU time requirements. It seems like the FFTs
would be a good starting point for distributed memory parallelisation that
goes beyond k-point parallelisation and allows us to treat very large
cases.

Is anyone working on parallelising the FFTs?

If not, I'm considering implementing it using MPI version of fftw. If I do 
decide to go ahead with it, which version of the code should I start with, 
so that the modifications might be included in future releases?

Steve

-- 
Steven Homolya
School of Physics and Materials Engineering
Monash University, VIC 3800
Australia
Tel: +61 3 9905 3694
Fax: +61 3 9905 3637