Accelerating many-nucleon basis generation for high performance computing enabled ab initio nuclear structure studies. (May 2019)

• Record Type: Journal Article
• Authors: Langr, Daniel; Dytrych, Tomáš; Launey, Kristina D; Draayer, Jerry P
• Other Names: Mencagli Gabriele guest-editor.; França Felipe MG guest-editor.; Bentes Cristiana Barbosa guest-editor.; Justen Marzulo Leandro Augusto guest-editor.; Lima Pilla Mauricio guest-editor.; Wyrzykowski Roman guest-editor.; Deelman Ewa guest-editor.
• Is Part Of: International journal of high performance computing applications. Volume 33:Number 3(2019)
• Page Start: 522
• Page End: 533
• Publication Date: 2019-05
• Subjects: Ab initio -- high performance computing -- nuclear structure -- many-nucleon basis generation -- parallel algorithm -- symmetry-adapted no-core shell model; High performance computing -- Periodicals; Supercomputers -- Periodicals; 004.1105
• DOI: 10.1177/1094342019838314
• Languages: English
• ISSNs: 1094-3420

Abstract

We present the problem of generating a many-nucleon basis inSU ( 3 ) -scheme for ab initio nuclear structure calculations in a symmetry-adapted no-core shell model framework. We first discuss and analyze the basis construction algorithm whose baseline implementation quickly becomes a significant bottleneck for large model spaces and heavier nuclei. The outcomes of this analysis are utilized to propose a new scalable version of the algorithm. Its performance is consequently studied empirically using the Blue Waters supercomputer. The measurements show significant acceleration achieved with over two orders of magnitude speedups realized for larger model spaces.