Efficacy of the SU(3) scheme for ab initio large-scale calculations beyond the lightest nuclei
We report on the computational characteristics of ab initio nuclear structure calculations in a symmetry-adapted no-core shell model (SA-NCSM) framework. We examine the computational complexity of the current implementation of the SA-NCSM approach, dubbed LSU3shell, by analyzing ab initio results for 6Li and 12C in large harmonic oscillator model spaces and SU3-selected subspaces. We demonstrate LSU3shell’s strong-scaling properties achieved with highly-parallel methods for computing the many-body matrix elements. Results compare favorably with complete model space calculations and significant memory savings are achieved in physically important applications. In particular, a well-chosen symmetry-adapted basis affords memory savings in calculations of states with a fixed total angular momentum in large model spaces while exactly preserving translational invariance.
- Authors:
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[1]
; [2]
; [3]
; [3]
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[2]
; [4]
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- Academy of Sciences of the Czech Republic (ASCR), Prague (Czech Republic); Louisiana State Univ., Baton Rouge, LA (United States)
- Iowa State Univ., Ames, IA (United States)
- Louisiana State Univ., Baton Rouge, LA (United States)
- Czech Technical Univ., Prague (Czech Republic); Aerospace Research and Test Establishment, Prague (Czech Republic)
- Univ. of North Carolina, Charlotte, NC (United States)
- Univ. of Notre Dame, IN (United States)
- The Ohio State Univ., Columbus, OH (United States)
- Old Dominion Univ., Norfolk, VA (United States)
- Publication Date:
- Grant/Contract Number:
- SC0008485; SC0005248; FG02-95ER-40934; DESC0008485; FG02-87ER40371; AC02-05CH11231; AC05-00OR22725
- Type:
- Accepted Manuscript
- Journal Name:
- Computer Physics Communications
- Additional Journal Information:
- Journal Volume: 207; Journal Issue: C; Journal ID: ISSN 0010-4655
- Publisher:
- Elsevier
- Research Org:
- Iowa State Univ., Ames, IA (United States)
- Sponsoring Org:
- USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR) (SC-21)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 74 ATOMIC AND MOLECULAR PHYSICS; Nuclear structure; Ab initio methods; Shell model; Models based on group theory
- OSTI Identifier:
- 1423773
- Alternate Identifier(s):
- OSTI ID: 1358995
Dytrych, T., Maris, P., Launey, K. D., Draayer, J. P., Vary, J. P., Langr, D., Saule, E., Caprio, M. A., Catalyurek, U., and Sosonkina, M.. Efficacy of the SU(3) scheme for ab initio large-scale calculations beyond the lightest nuclei. United States: N. p.,
Web. doi:10.1016/j.cpc.2016.06.006.
Dytrych, T., Maris, P., Launey, K. D., Draayer, J. P., Vary, J. P., Langr, D., Saule, E., Caprio, M. A., Catalyurek, U., & Sosonkina, M.. Efficacy of the SU(3) scheme for ab initio large-scale calculations beyond the lightest nuclei. United States. doi:10.1016/j.cpc.2016.06.006.
Dytrych, T., Maris, P., Launey, K. D., Draayer, J. P., Vary, J. P., Langr, D., Saule, E., Caprio, M. A., Catalyurek, U., and Sosonkina, M.. 2016.
"Efficacy of the SU(3) scheme for ab initio large-scale calculations beyond the lightest nuclei". United States.
doi:10.1016/j.cpc.2016.06.006. https://www.osti.gov/servlets/purl/1423773.
@article{osti_1423773,
title = {Efficacy of the SU(3) scheme for ab initio large-scale calculations beyond the lightest nuclei},
author = {Dytrych, T. and Maris, P. and Launey, K. D. and Draayer, J. P. and Vary, J. P. and Langr, D. and Saule, E. and Caprio, M. A. and Catalyurek, U. and Sosonkina, M.},
abstractNote = {We report on the computational characteristics of ab initio nuclear structure calculations in a symmetry-adapted no-core shell model (SA-NCSM) framework. We examine the computational complexity of the current implementation of the SA-NCSM approach, dubbed LSU3shell, by analyzing ab initio results for 6Li and 12C in large harmonic oscillator model spaces and SU3-selected subspaces. We demonstrate LSU3shell’s strong-scaling properties achieved with highly-parallel methods for computing the many-body matrix elements. Results compare favorably with complete model space calculations and significant memory savings are achieved in physically important applications. In particular, a well-chosen symmetry-adapted basis affords memory savings in calculations of states with a fixed total angular momentum in large model spaces while exactly preserving translational invariance.},
doi = {10.1016/j.cpc.2016.06.006},
journal = {Computer Physics Communications},
number = C,
volume = 207,
place = {United States},
year = {2016},
month = {6}
}
- Free Publicly Accessible Full Text
- Accepted Manuscript (Publisher)
-
Accepted Manuscript (DOE)
- Publisher's Version of Record
- https://doi.org/10.1016/j.cpc.2016.06.006