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Title: Accelerating Full Configuration Interaction Calculations for Nuclear Structure

Abstract

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.

Authors:
; ; ; ; ; ; ;
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
Computational Research Division
OSTI Identifier:
935323
Report Number(s):
LBNL-591E
TRN: US0804260
DOE Contract Number:  
DE-AC02-05CH11231
Resource Type:
Conference
Resource Relation:
Conference: Supercomputing 2008, Austin, TX, Nov 15 - Nov 21
Country of Publication:
United States
Language:
English
Subject:
73; 97; ALGORITHMS; COMPUTERS; CONFIGURATION INTERACTION; DESIGN; EFFICIENCY; EIGENVALUES; EIGENVECTORS; EXTRAPOLATION; FERMIONS; HAMILTONIANS; IMPLEMENTATION; MATRICES; NUCLEAR PHYSICS; NUCLEAR STRUCTURE; PERFORMANCE; configuration interaction, eigenvalue, combinatorics, sparse matrix

Citation Formats

Yang, Chao, Sternberg, Philip, Maris, Pieter, Ng, Esmond, Sosonkina, Masha, Le, Hung Viet, Vary, James, and Yang, Chao. Accelerating Full Configuration Interaction Calculations for Nuclear Structure. United States: N. p., 2008. Web.
Yang, Chao, Sternberg, Philip, Maris, Pieter, Ng, Esmond, Sosonkina, Masha, Le, Hung Viet, Vary, James, & Yang, Chao. Accelerating Full Configuration Interaction Calculations for Nuclear Structure. United States.
Yang, Chao, Sternberg, Philip, Maris, Pieter, Ng, Esmond, Sosonkina, Masha, Le, Hung Viet, Vary, James, and Yang, Chao. Mon . "Accelerating Full Configuration Interaction Calculations for Nuclear Structure". United States. https://www.osti.gov/servlets/purl/935323.
@article{osti_935323,
title = {Accelerating Full Configuration Interaction Calculations for Nuclear Structure},
author = {Yang, Chao and Sternberg, Philip and Maris, Pieter and Ng, Esmond and Sosonkina, Masha and Le, Hung Viet and Vary, James and Yang, Chao},
abstractNote = {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.},
doi = {},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Apr 14 00:00:00 EDT 2008},
month = {Mon Apr 14 00:00:00 EDT 2008}
}

Conference:
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