Ixaru's Extended Frequency Dependent Quadrature Rules for Slater Integrals: Parallel Computation Issues

N. S. Scott, M. P. Scott, F. Jezequel

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

We describe recent progress of an ongoing research programme aimed at producing computational science software that can exploit high performance architectures in the atomic physics application domain. We examine the computational bottleneck of matrix construction in a suite of two-dimensional R-matrix propagation programs, 2DRMP, that are aimed at creating virtual electron collision experiments on HPC architectures. We build on Ixaru's extended frequency dependent quadrature rules (EFDQR) for Slater integrals and examine the challenge of constructing Hamiltonian matrices in parallel across an m-processor compute node in a block cyclic distribution for subsequent diagonalization by ScaLAPACK.

Original languageEnglish
Title of host publicationNUMERICAL ANALYSIS AND APPLIED MATHEMATICS (ICNAAM 2012), VOLS A AND B
EditorsTE Simos, G Psihoyios, C Tsitouras, Z Anastassi
Place of PublicationMELVILLE
PublisherAMER INST PHYSICS
Pages1208-1211
Number of pages4
Volume1479
Edition1
ISBN (Print)978-0-7354-1091-6
DOIs
Publication statusPublished - 2012
EventInternational Conference of Numerical Analysis and Applied Mathematics (ICNAAM) - Kos, Greece
Duration: 19 Sep 201225 Sep 2012

Conference

ConferenceInternational Conference of Numerical Analysis and Applied Mathematics (ICNAAM)
CountryGreece
CityKos
Period19/09/201225/09/2012

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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