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 language | English |
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| Title of host publication | NUMERICAL ANALYSIS AND APPLIED MATHEMATICS (ICNAAM 2012), VOLS A AND B |
| Editors | TE Simos, G Psihoyios, C Tsitouras, Z Anastassi |
| Place of Publication | MELVILLE |
| Publisher | AMER INST PHYSICS |
| Pages | 1208-1211 |
| Number of pages | 4 |
| Volume | 1479 |
| Edition | 1 |
| ISBN (Print) | 978-0-7354-1091-6 |
| DOIs | |
| Publication status | Published - 2012 |
| Event | International Conference of Numerical Analysis and Applied Mathematics (ICNAAM) - Kos, Greece Duration: 19 Sept 2012 → 25 Sept 2012 |
Conference
| Conference | International Conference of Numerical Analysis and Applied Mathematics (ICNAAM) |
|---|---|
| Country/Territory | Greece |
| City | Kos |
| Period | 19/09/2012 → 25/09/2012 |
ASJC Scopus subject areas
- General Physics and Astronomy