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


  • I. Spence
  • N.S. Scott
  • C.J. Gillan


numerical integration
R-matrix method
parallel implementation


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.






Section 1. Numerical methods and applications

Author Biographies

I. Spence

N.S. Scott

C.J. Gillan


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