### Abstract

We examine the computational aspects of propagating a global R-matrix, R, across sub-regions in a 2-D plane. This problem originates in the large scale simulation of electron collisions with atoms and ions at intermediate energies. The propagation is dominated by matrix multiplications which are complicated because of the dynamic nature of R, which changes the designations of its rows and columns and grows in size as the propagation proceeds. The use of PBLAS to solve this problem on distributed memory HPC machines is the main focus of the paper.

Original language | English |
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Title of host publication | High Performance Computing for Computational Science: VECPAR 2002 |

Pages | 354-367 |

Number of pages | 14 |

Volume | 2565 |

DOIs | |

Publication status | Published - 2003 |

### Publication series

Name | Lecture Notes in Computer Science |
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Publisher | Springer |

Volume | 2565 |

ISSN (Electronic) | 1611-3349 |

### ASJC Scopus subject areas

- Computer Science(all)
- Biochemistry, Genetics and Molecular Biology(all)
- Theoretical Computer Science

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## Cite this

Stitt, L., Scott, S., Scott, M., & Burke, P. G. (2003). 2-D R-matrix propagation: A large scale electron scattering simulation dominated by the multiplication of dynamically changing matrices. In

*High Performance Computing for Computational Science: VECPAR 2002*(Vol. 2565, pp. 354-367). (Lecture Notes in Computer Science ; Vol. 2565). https://doi.org/10.1007/3-540-36569-9_23