Large-scale ab initio configuration interaction calculations for light nuclei

Maris, Pieter; Aktulga, H. Metin; Caprio, Mark A.; Çatalyürek, Ümit V.; Ng, Esmond G.; Oryspayev, Dossay; Potter, Hugh; Saule, Erik; Sosonkina, Masha; Vary, James P.; Yang, Chao; Zhou, Zheng

doi:10.1088/1742-6596/403/1/012019

Title: Large-scale ab initio configuration interaction calculations for light nuclei

Journal Article · Sat Dec 01 00:00:00 EST 2012 · Journal of Physics. Conference Series

DOI:https://doi.org/10.1088/1742-6596/403/1/012019· OSTI ID:1567305

Maris, Pieter ^[1]; Aktulga, H. Metin ^[2]; Caprio, Mark A. ^[3]; Çatalyürek, Ümit V. ^[4]; Ng, Esmond G. ^[2]; Oryspayev, Dossay ^[1]; Potter, Hugh ^[1]; Saule, Erik ^[4]; Sosonkina, Masha ^[5]; Vary, James P. ^[1]; Yang, Chao ^[2]; Zhou, Zheng ^[6]

Iowa State Univ., Ames, IA (United States)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Univ. of Notre Dame, IN (United States)
The Ohio State Univ., Columbus, OH (United States)
Old Dominion Univ., Norfolk, VA (United States)
Wuhan Univ. (China)

In ab-initio Configuration Interaction calculations, the nuclear wavefunction is expanded in Slater determinants of single-nucleon wavefunctions and the many-body Schrodinger equation becomes a large sparse matrix problem. The challenge is to reach numerical convergence to within quantified numerical uncertainties for physical observables using finite truncations of the infinite-dimensional basis space. We discuss strategies for constructing and solving the resulting large sparse matrix eigenvalue problems on current multicore computer architectures. Several of these strategies have been implemented in the code MFDn, a hybrid MPI/OpenMP Fortran code for ab-initio nuclear structure calculations that can scale to 100,000 cores and more. Finally, we will conclude with some recent results for ¹²C including emerging collective phenomena such as rotational band structures using SRG evolved chiral N3LO interactions.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Iowa State Univ., Ames, IA (United States); University of Notre Dame, IN (United States)

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

Grant/Contract Number:: AC05-00OR22725; FC02-09ER41582; FG02-87ER40371; FG02-95ER40934

OSTI ID:: 1567305

Journal Information:: Journal of Physics. Conference Series, Vol. 403; Conference: Horizons of Innovative Theories, Experiments, and Supercomputing in Nuclear Physics (HITES) Conference, New Orleans, LA (United States), 4-7 Jun 2012; ISSN 1742-6588

Publisher:: IOP PublishingCopyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 25 works

Citation information provided by
Web of Science

References (18)

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
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
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
Modern theory of nuclear forces Epelbaum, E.; Hammer, H. -W.; Meißner, Ulf-G. Reviews of Modern Physics, Vol. 81, Issue 4 https://doi.org/10.1103/RevModPhys.81.1773	journal	December 2009
Structure of $A = 10 - 13$ Nuclei with Two- Plus Three-Nucleon Interactions from Chiral Effective Field Theory Navrátil, P.; Gueorguiev, V. G.; Vary, J. P. Physical Review Letters, Vol. 99, Issue 4 https://doi.org/10.1103/PhysRevLett.99.042501	journal	July 2007
Coulomb-Sturmian basis for the nuclear many-body problem Caprio, M. A.; Maris, P.; Vary, J. P. Physical Review C, Vol. 86, Issue 3 https://doi.org/10.1103/PhysRevC.86.034312	journal	September 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
Convergence in the no-core shell model with low-momentum two-nucleon interactions Bogner, S. K.; Furnstahl, R. J.; Maris, P. Nuclear Physics A, Vol. 801, Issue 1-2 https://doi.org/10.1016/j.nuclphysa.2007.12.008	journal	March 2008
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
Scaling of ab-initio nuclear physics calculations on multicore computer architectures Maris, Pieter; Sosonkina, Masha; Vary, James P. Procedia Computer Science, Vol. 1, Issue 1 https://doi.org/10.1016/j.procs.2010.04.012	journal	May 2010
Topology-Aware Mappings for Large-Scale Eigenvalue Problems Aktulga, Hasan Metin; Yang, Chao; Ng, Esmond G. Euro-Par 2012 Parallel Processing https://doi.org/10.1007/978-3-642-32820-6_82	book	January 2012
Effcient Shared-array Accesses in Ab Initio Nuclear Structure Calculations on Multicore Architectures Srinivasa, Avinash; Sosonkina, Masha; Maris, Pieter Procedia Computer Science, Vol. 9 https://doi.org/10.1016/j.procs.2012.04.027	journal	January 2012
Origin of the Anomalous Long Lifetime of ${}^{14}C$ Maris, P.; Vary, J. P.; Navrátil, P. Physical Review Letters, Vol. 106, Issue 20 https://doi.org/10.1103/PhysRevLett.106.202502	journal	May 2011
Similarity-Transformed Chiral $N N + 3 N$ Interactions for the Ab Initio Description of ${}^{12}C$ and ${}^{16}O$ Roth, Robert; Langhammer, Joachim; Calci, Angelo Physical Review Letters, Vol. 107, Issue 7 https://doi.org/10.1103/PhysRevLett.107.072501	journal	August 2011
Highly deformed modes in the ab initio symplectic no-core shell model Dytrych, T.; Sviratcheva, K. D.; Bahri, C. Journal of Physics G: Nuclear and Particle Physics, Vol. 35, Issue 9 https://doi.org/10.1088/0954-3899/35/9/095101	journal	July 2008
Importance truncation for large-scale configuration interaction approaches Roth, Robert Physical Review C, Vol. 79, Issue 6 https://doi.org/10.1103/PhysRevC.79.064324	journal	June 2009
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
Solution of the Center-Of-Mass Problem in Nuclear Structure Calculations Hagen, G.; Papenbrock, T.; Dean, D. J. Physical Review Letters, Vol. 103, Issue 6 https://doi.org/10.1103/PhysRevLett.103.062503	journal	August 2009

Similar Records

No Core CI calculations for light nuclei with chiral 2- and 3-body forces

Journal Article · Thu Aug 01 00:00:00 EDT 2013 · Journal of Physics. Conference Series (Online) · OSTI ID:1567305

Maris, Pieter; Aktulga, H. Metin; Binder, Sven; +8 more

Natural orbitals for theab initiono-core configuration interaction approach

Journal Article · Mon May 02 00:00:00 EDT 2022 · Physical Review. C · OSTI ID:1567305

Fasano, Patrick J.; Constantinou, Chrysovalantis; Caprio, Mark A.; +2 more

Input/Output of ab-initio nuclear structure calculations for improved performance and portability

Thesis/Dissertation · Fri Jan 01 00:00:00 EST 2010 · OSTI ID:1567305

Laghave, Nikhil

Related Subjects

73 NUCLEAR PHYSICS AND RADIATION PHYSICS

Title: Large-scale ab initio configuration interaction calculations for light nuclei

Citation Formats

References (18)

Similar Records

Related Subjects