"Enabling science through emerging HPC technologies: accelerating numerical quadrature using a GPU"

"Enabling science through emerging HPC technologies: accelerating numerical quadrature using a GPU"
Spence I., Scott N.S., Gillan C.J.

The R-matrix method when applied to the study of intermediate energy electron scattering by the hydrogen atom gives rise to a large number of two electron integrals between numerical basis functions. Each integral is evaluated independently of the others, thereby rendering this a prime candidate for a parallel implementation. In this paper, we present a parallel implementation of this routine which uses a Graphical Processing Unit as a co-processor, giving a speedup of approximately $20$ times when compared with a sequential version. We briefly consider properties of this calculation which make a GPU implementation appropriate with a view to identifying other calculations which might similarly benefit.

Keywords: numerical integration, R-matrix method, parallel implementation, GPU

Spence I., Professor, e-mail: i.spence@qub.ac.uk; Scott N.S., Professor, e-mail: ns.scott@qub.ac.uk Gillan C.J., Professor, c.gillan@ecit.qub.ac.uk - School of Electronics, Electrical Engineering & Computer Science, The Queen's University of Belfast, Belfast BT7 1NN, UK