Accelerating Full Configuration Interaction Calculations for Nuclear Structure
One of the emerging computational approaches in nuclear physics is the full configuration interaction (FCI) method for solving the many-body nuclear Hamiltonian in a sufficiently large single-particle basis space to obtain exact answers - either directly or by extrapolation. The lowest eigenvalues and correspondingeigenvectors for very large, sparse and unstructured nuclear Hamiltonian matrices are obtained and used to evaluate additional experimental quantities. These matrices pose a significant challenge to the design and implementation of efficient and scalable algorithms for obtaining solutions on massively parallel computer systems. In this paper, we describe the computational strategies employed in a state-of-the-art FCI code MFDn (Many Fermion Dynamics - nuclear) as well as techniques we recently developed to enhance the computational efficiency of MFDn. We will demonstrate the current capability of MFDn and report the latest performance improvement we have achieved. We will also outline our future research directions.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- Computational Research Division
- DOE Contract Number:
- DE-AC02-05CH11231
- OSTI ID:
- 935323
- Report Number(s):
- LBNL-591E; TRN: US0804260
- Resource Relation:
- Conference: Supercomputing 2008, Austin, TX, Nov 15 - Nov 21
- Country of Publication:
- United States
- Language:
- English
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