There are CFD/MHD codes that employ FFTs in 3D for a particular set of boundary conditions -- good question whether they will continue to scale on new architectures. Aleks ________________________________ From: [email protected] <[email protected]> on behalf of Keceli, Murat <[email protected]> Sent: Friday, December 20, 2019 6:03 PM To: Habib, Salman <[email protected]>; [email protected] <[email protected]> Subject: Re: FFTs Periodic electronic structure calculations with DFT (density functional theory) require FFTs. It's indeed the scaling bottleneck after the diagonilazation step, so there has been some work on parallel FFTs. https://link.springer.com/chapter/10.1007%2F978-3-540-92859-1_25 https://www.nersc.gov/assets/Events/AndrewCanningNERSCBrownbag.pdf https://www.sciencedirect.com/science/article/pii/S0010465519301213 Happy holidays, Murat ________________________________ From: [email protected] <[email protected]> on behalf of Habib, Salman <[email protected]> Sent: Friday, December 20, 2019 4:57 PM To: [email protected] <[email protected]> Subject: FFTs Hi Everyone, As a parting shot, is there any interest in parallel FFTs in applications of interest to CPS? There's a bunch of activity in this space and I am interested in collecting all possible use cases. Thanks! Salman _______________________________________________ cps-employees mailing list [email protected] https://lists.anl.gov/mailman/listinfo/cps-employees