Efficacy of the SU(3) scheme for ab initio large-scale calculations beyond the lightest nuclei

Dytrych, T.; Maris, P.; Launey, K. D.; Draayer, J. P.; Vary, J. P.; Langr, D.; Saule, E.; Caprio, M. A.; Catalyurek, U.; Sosonkina, M.

doi:10.1016/j.cpc.2016.06.006

Title: Efficacy of the SU(3) scheme for ab initio large-scale calculations beyond the lightest nuclei

Journal Article · Wed Jun 22 00:00:00 EDT 2016 · Computer Physics Communications

DOI:https://doi.org/10.1016/j.cpc.2016.06.006· OSTI ID:1423773

Dytrych, T. ^[1]; Maris, P. ^[2]; Launey, K. D. ^[3]; Draayer, J. P. ^[3];

^[2]; Langr, D. ^[4]; Saule, E. ^[5]; Caprio, M. A. ^[6]; Catalyurek, U. ^[7]; Sosonkina, M. ^[8]

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)

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.

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Research Organization:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Iowa State Univ., Ames, IA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)

Grant/Contract Number:: SC0008485; SC0005248; FG02-95ER-40934; DESC0008485; FG02-87ER40371; AC02-05CH11231; AC05-00OR22725

OSTI ID:: 1423773

Alternate ID(s):: OSTI ID: 1358995

Journal Information:: Computer Physics Communications, Vol. 207, Issue C; ISSN 0010-4655

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 32 works

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References (51)

Quantum Monte Carlo calculations of excited states in $A = 6 - 8$ nuclei Pieper, Steven C.; Wiringa, R. B.; Carlson, J. Physical Review C, Vol. 70, Issue 5 https://doi.org/10.1103/PhysRevC.70.054325	journal	November 2004
Quantum Monte Carlo Calculations of Neutron- $α$ Scattering Nollett, Kenneth M.; Pieper, Steven C.; Wiringa, R. B. Physical Review Letters, Vol. 99, Issue 2 https://doi.org/10.1103/PhysRevLett.99.022502	journal	July 2007
Properties of $^{12} C$ in the Ab Initio Nuclear Shell Model Navrátil, P.; Vary, J. P.; Barrett, B. R. Physical Review Letters, Vol. 84, Issue 25 https://doi.org/10.1103/PhysRevLett.84.5728	journal	June 2000
Ab initio no core shell model Barrett, Bruce R.; Navrátil, Petr; Vary, James P. Progress in Particle and Nuclear Physics, Vol. 69 https://doi.org/10.1016/j.ppnp.2012.10.003	journal	March 2013
Ab Initio Computation of the ${}^{17}F$ Proton Halo State and Resonances in $A = 17$ Nuclei Hagen, G.; Papenbrock, T.; Hjorth-Jensen, M. Physical Review Letters, Vol. 104, Issue 18 https://doi.org/10.1103/PhysRevLett.104.182501	journal	May 2010
Ab Initio Study of ${}^{40}{Ca}$ with an Importance-Truncated No-Core Shell Model Roth, R.; Navrátil, P. Physical Review Letters, Vol. 99, Issue 9 https://doi.org/10.1103/PhysRevLett.99.092501	journal	August 2007
Ab Initio Calculation of the Hoyle State Epelbaum, Evgeny; Krebs, Hermann; Lee, Dean Physical Review Letters, Vol. 106, Issue 19 https://doi.org/10.1103/PhysRevLett.106.192501	journal	May 2011
Accurate nucleon-nucleon potential with charge-independence breaking Wiringa, R. B.; Stoks, V. G. J.; Schiavilla, R. Physical Review C, Vol. 51, Issue 1 https://doi.org/10.1103/PhysRevC.51.38	journal	January 1995
Realistic models of pion-exchange three-nucleon interactions Pieper, Steven C.; Pandharipande, V. R.; Wiringa, R. B. Physical Review C, Vol. 64, Issue 1 https://doi.org/10.1103/PhysRevC.64.014001	journal	June 2001
The Illinois Extension to the Fujita-Miyazawa Three-Nucleon Force Pieper, Steven C.; Sakai, Hideyuki; Sekiguchi, Kimiko POLARIZED ANTIPROTON BEAMS - HOW: An International Workshop, AIP Conference Proceedings https://doi.org/10.1063/1.2932280	conference	January 2008
Nuclear forces from chiral Lagrangians using the method of unitary transformation (I): Formalism Epelbaoum, E.; Glöckle, W.; Meißner, Ulf-G. Nuclear Physics A, Vol. 637, Issue 1 https://doi.org/10.1016/S0375-9474(98)00220-6	journal	July 1998
Accurate charge-dependent nucleon-nucleon potential at fourth order of chiral perturbation theory Entem, D. R.; Machleidt, R. Physical Review C, Vol. 68, Issue 4 https://doi.org/10.1103/PhysRevC.68.041001	journal	October 2003
Chiral effective field theory and nuclear forces Machleidt, R.; Entem, D. R. Physics Reports, Vol. 503, Issue 1 https://doi.org/10.1016/j.physrep.2011.02.001	journal	June 2011
Realistic nuclear Hamiltonian: Ab exitu approach Shirokov, A. M.; Vary, J. P.; Mazur, A. I. Physics Letters B, Vol. 644, Issue 1 https://doi.org/10.1016/j.physletb.2006.10.066	journal	January 2007
Novel NN interaction and the spectroscopy of light nuclei Shirokov, A. M.; Vary, J. P.; Mazur, A. I. Physics Letters B, Vol. 621, Issue 1-2 https://doi.org/10.1016/j.physletb.2005.06.043	journal	August 2005
Collective Modes in Light Nuclei from First Principles Dytrych, T.; Launey, K. D.; Draayer, J. P. Physical Review Letters, Vol. 111, Issue 25 https://doi.org/10.1103/PhysRevLett.111.252501	journal	December 2013
Nuclear $Sp (3, R)$ Model Rosensteel, G.; Rowe, D. J. Physical Review Letters, Vol. 38, Issue 1 https://doi.org/10.1103/PhysRevLett.38.10	journal	January 1977
Microscopic theory of the nuclear collective model Rowe, D. J. Reports on Progress in Physics, Vol. 48, Issue 10 https://doi.org/10.1088/0034-4885/48/10/003	journal	October 1985
On the algebraic formulation of collective models III. The symplectic shell model of collective motion Rosensteel, G.; Rowe, D. J. Annals of Physics, Vol. 126, Issue 2 https://doi.org/10.1016/0003-4916(80)90180-3	journal	May 1980
Shell-Model Description of the Low-Energy Structure of Strongly Deformed Nuclei Draayer, J. P.; Weeks, K. J. Physical Review Letters, Vol. 51, Issue 16 https://doi.org/10.1103/PhysRevLett.51.1422	journal	October 1983
Symplectic shell-model calculations for 20Ne with horizontal configuration mixing Draayer, J. P.; Weeks, K. J.; Rosensteel, G. Nuclear Physics A, Vol. 413, Issue 2 https://doi.org/10.1016/0375-9474(84)90371-3	journal	January 1984
Symplectic and cluster excitations in nuclei: Suzuki, Y.; Hecht, K. T. Nuclear Physics A, Vol. 455, Issue 2 https://doi.org/10.1016/0375-9474(86)90021-7	journal	July 1986
Isoscalar monopole and quadrupole strength of ${}^{16}O$ in an α $+^{12}$ C cluster and symplectic mixed basis Suzuki, Y.; Hara, S. Physical Review C, Vol. 39, Issue 2 https://doi.org/10.1103/PhysRevC.39.658	journal	February 1989
Hoyle state and rotational features in Carbon-12 within a no-core shell-model framework Dreyfuss, Alison C.; Launey, Kristina D.; Dytrych, Tomáš Physics Letters B, Vol. 727, Issue 4-5 https://doi.org/10.1016/j.physletb.2013.10.048	journal	December 2013
Emergence of cluster structures and collectivity within a no-core shell-model framework Launey, K. D.; Dreyfuss, A. C.; Draayer, J. P. Journal of Physics: Conference Series, Vol. 569 https://doi.org/10.1088/1742-6596/569/1/012061	journal	December 2014
Electron-scattering form factors for ${}^{6}{Li}$ in the ab initio symmetry-guided framework Dytrych, T.; Hayes, A. C.; Launey, K. D. Physical Review C, Vol. 91, Issue 2 https://doi.org/10.1103/PhysRevC.91.024326	journal	February 2015
Evidence for Symplectic Symmetry in Ab Initio No-Core Shell Model Results for Light Nuclei Dytrych, Tomáš; Sviratcheva, Kristina D.; Bahri, Chairul Physical Review Letters, Vol. 98, Issue 16 https://doi.org/10.1103/PhysRevLett.98.162503	journal	April 2007
Monte Carlo shell-model calculations Otsuka, Takaharu; Mizusaki, Takahiro; Honma, Michio Journal of Physics G: Nuclear and Particle Physics, Vol. 25, Issue 4 https://doi.org/10.1088/0954-3899/25/4/023	journal	January 1999
Monte Carlo shell model for atomic nuclei Otsuka, T.; Honma, M.; Mizusaki, T. Progress in Particle and Nuclear Physics, Vol. 47, Issue 1 https://doi.org/10.1016/S0146-6410(01)00157-0	journal	January 2001
Benchmarks of the full configuration interaction, Monte Carlo shell model, and no-core full configuration methods Abe, T.; Maris, P.; Otsuka, T. Physical Review C, Vol. 86, Issue 5 https://doi.org/10.1103/PhysRevC.86.054301	journal	November 2012
Ab initio no-core full configuration calculations of light nuclei Maris, P.; Vary, J. P.; Shirokov, A. M. Physical Review C, Vol. 79, Issue 1 https://doi.org/10.1103/PhysRevC.79.014308	journal	January 2009
Ab initio nuclear structure simulations: The speculative ${}^{14}F$ nucleus Maris, P.; Shirokov, A. M.; Vary, J. P. Physical Review C, Vol. 81, Issue 2 https://doi.org/10.1103/PhysRevC.81.021301	journal	February 2010
AB INITIO NUCLEAR STRUCTURE CALCULATIONS OF p-SHELL NUCLEI WITH JISP16 Maris, Pieter; Vary, James P. International Journal of Modern Physics E, Vol. 22, Issue 07 https://doi.org/10.1142/S0218301313300166	journal	July 2013
Convergence properties of ab initio calculations of light nuclei in a harmonic oscillator basis Coon, S. A.; Avetian, M. I.; Kruse, M. K. G. Physical Review C, Vol. 86, Issue 5 https://doi.org/10.1103/PhysRevC.86.054002	journal	November 2012
Corrections to nuclear energies and radii in finite oscillator spaces Furnstahl, R. J.; Hagen, G.; Papenbrock, T. Physical Review C, Vol. 86, Issue 3 https://doi.org/10.1103/PhysRevC.86.031301	journal	September 2012
Infrared length scale and extrapolations for the no-core shell model Wendt, K. A.; Forssén, C.; Papenbrock, T. Physical Review C, Vol. 91, Issue 6 https://doi.org/10.1103/PhysRevC.91.061301	journal	June 2015
Ab initio nuclear structure – the large sparse matrix eigenvalue problem Vary, James P.; Maris, Pieter; Ng, Esmond Journal of Physics: Conference Series, Vol. 180 https://doi.org/10.1088/1742-6596/180/1/012083	journal	July 2009
Improving the scalability of a symmetric iterative eigensolver for multi-core platforms: IMPROVING THE SCALABILITY OF A SYMMETRIC ITERATIVE EIGENSOLVER Aktulga, Hasan Metin; Yang, Chao; Ng, Esmond G. Concurrency and Computation: Practice and Experience, Vol. 26, Issue 16 https://doi.org/10.1002/cpe.3129	journal	September 2013
Center-of-Mass Motion in Brueckner Theory for a Finite Nucleus Lipkin, Harry J. Physical Review, Vol. 109, Issue 6 https://doi.org/10.1103/PhysRev.109.2071	journal	March 1958
A method for the elimination of spurious states in the nuclear harmonic oscillator shell model Verhaar, B. J. Nuclear Physics, Vol. 21 https://doi.org/10.1016/0029-5582(60)90073-0	journal	November 1960
Spurious center-of-mass motion Gloeckner, D. H.; Lawson, R. D. Physics Letters B, Vol. 53, Issue 4 https://doi.org/10.1016/0370-2693(74)90390-6	journal	December 1974
On the shape of deformed nuclei Rosensteel, G.; Rowe, D. J. Annals of Physics, Vol. 104, Issue 1 https://doi.org/10.1016/0003-4916(77)90048-3	journal	March 1977
Algebraic realization of rotational dynamics Leschber, Yorck; Draayer, J. P. Physics Letters B, Vol. 190, Issue 1-2 https://doi.org/10.1016/0370-2693(87)90829-X	journal	May 1987
Representations of U(3) in U(N) Draayer, J. P.; Leschber, Y.; Park, S. C. Computer Physics Communications, Vol. 56, Issue 2 https://doi.org/10.1016/0010-4655(89)90024-6	journal	December 1989
Energy levels of light nuclei A = 11−12 Ajzenberg-Selove, F. Nuclear Physics A, Vol. 506, Issue 1 https://doi.org/10.1016/0375-9474(90)90271-M	journal	January 1990
Measurements of Interaction Cross Sections and Nuclear Radii in the Light $p$ -Shell Region Tanihata, I.; Hamagaki, H.; Hashimoto, O. Physical Review Letters, Vol. 55, Issue 24 https://doi.org/10.1103/PhysRevLett.55.2676	journal	December 1985
Large-scale ab initio configuration interaction calculations for light nuclei Maris, Pieter; Aktulga, H. Metin; Caprio, Mark A. Journal of Physics: Conference Series, Vol. 403 https://doi.org/10.1088/1742-6596/403/1/012019	journal	December 2012
Leveraging GPUs in Ab Initio Nuclear Physics Calculations Oryspayev, Dossay; Potter, Hugh; Maris, Pieter 2013 IEEE International Symposium on Parallel & Distributed Processing, Workshops and Phd Forum (IPDPSW) https://doi.org/10.1109/IPDPSW.2013.253	conference	May 2013
Structure of $p$ -shell nuclei using three-nucleon interactions evolved with the similarity renormalization group Jurgenson, E. D.; Maris, P.; Furnstahl, R. J. Physical Review C, Vol. 87, Issue 5 https://doi.org/10.1103/PhysRevC.87.054312	journal	May 2013
A user's guide to fortran programs for Wigner and Racah coefficients of SU3 Akiyama, Yoshimi; Draayer, J. P. Computer Physics Communications, Vol. 5, Issue 6 https://doi.org/10.1016/0010-4655(73)90077-5	journal	June 1973
Dominant Modes in Light Nuclei - Ab Initio View of Emergent Symmetries Draayer, J. P.; Dytrych, T.; Launey, K. D. Journal of Physics: Conference Series, Vol. 578 https://doi.org/10.1088/1742-6596/578/1/012010	journal	January 2015

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Accelerating many-nucleon basis generation for high performance computing enabled ab initio nuclear structure studies Langr, Daniel; Dytrych, Tomáš; Launey, Kristina D. The International Journal of High Performance Computing Applications, Vol. 33, Issue 3 https://doi.org/10.1177/1094342019838314	journal	March 2019
Exact isovector pairing in a shell-model framework: Role of proton-neutron correlations in isobaric analog states Miora, M. E.; Launey, K. D.; Kekejian, D. arXiv https://doi.org/10.48550/arxiv.1904.11555	text	January 2019

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