Massively parallel implementation of 3D-RISM calculation with volumetric 3D-FFT.
Yutaka MaruyamaNorio YoshidaHiroto TadanoDaisuke TakahashiMitsuhisa SatoFumio HirataPublished in: J. Comput. Chem. (2014)
Keyphrases
- massively parallel
- parallel computers
- parallel computing
- high performance computing
- parallel architectures
- fine grained
- graphics processing units
- parallel machines
- message passing interface
- special case
- computer architecture
- floating point
- fourier transform
- fast fourier transform
- multistage
- general purpose
- image processing