Solution of the Skyrme-Hartree-Fock-Bogolyubov equations in the Cartesian deformed harmonic-oscillator basis. (VII) HFODD (v2.49t): A new version of the program
Abstract
We describe the new version (v2.49t) of the code HFODD which solves the nuclear Skyrme Hartree-Fock (HF) or Skyrme Hartree-Fock-Bogolyubov (HFB) problem by using the Cartesian deformed harmonic-oscillator basis. In the new version, we have implemented the following physics features: (i) the isospin mixing and projection, (ii) the finite temperature formalism for the HFB and HF+BCS methods, (iii) the Lipkin translational energy correction method, (iv) the calculation of the shell correction. A number of specific numerical methods have also been implemented in order to deal with large-scale multi-constraint calculations and hardware limitations: (i) the two-basis method for the HFB method, (ii) the Augmented Lagrangian Method (ALM) for multi-constraint calculations, (iii) the linear constraint method based on the approximation of the RPA matrix for multi-constraint calculations, (iv) an interface with the axial and parity-conserving Skyrme-HFB code HFBTHO, (v) the mixing of the HF or HFB matrix elements instead of the HF fields. Special care has been paid to using the code on massively parallel leadership class computers. For this purpose, the following features are now available with this version: (i) the Message Passing Interface (MPI) framework, (ii) scalable input data routines, (iii) multi-threading via OpenMP pragmas, (iv) parallel diagonalization of themore »
- Authors:
-
- ORNL
- University of Tennessee, Knoxville (UTK) & Oak Ridge National Laboratory (ORNL)
- Maria Curie-Sklodowska University
- Warsaw University
- University of Jyvaskyla
- Publication Date:
- Research Org.:
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)
- Sponsoring Org.:
- USDOE Office of Science (SC)
- OSTI Identifier:
- 1036620
- DOE Contract Number:
- DE-AC05-00OR22725
- Resource Type:
- Journal Article
- Journal Name:
- Computer Physics Communications
- Additional Journal Information:
- Journal Volume: 183; Journal Issue: 1; Journal ID: ISSN 0010-4655
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS; ANGULAR MOMENTUM; APPROXIMATIONS; COMPUTERS; ISOSPIN; LAGRANGIAN FUNCTION; MATRIX ELEMENTS; PHYSICS; PROGRAMMING
Citation Formats
Schunck, Nicolas F, McDonnell, J, Sheikh, J A, Staszczak, A, Stoitsov, Mario, Dobaczewski, J, and Toivanen, P. Solution of the Skyrme-Hartree-Fock-Bogolyubov equations in the Cartesian deformed harmonic-oscillator basis. (VII) HFODD (v2.49t): A new version of the program. United States: N. p., 2012.
Web. doi:10.1016/j.cpc.2011.08.013.
Schunck, Nicolas F, McDonnell, J, Sheikh, J A, Staszczak, A, Stoitsov, Mario, Dobaczewski, J, & Toivanen, P. Solution of the Skyrme-Hartree-Fock-Bogolyubov equations in the Cartesian deformed harmonic-oscillator basis. (VII) HFODD (v2.49t): A new version of the program. United States. https://doi.org/10.1016/j.cpc.2011.08.013
Schunck, Nicolas F, McDonnell, J, Sheikh, J A, Staszczak, A, Stoitsov, Mario, Dobaczewski, J, and Toivanen, P. 2012.
"Solution of the Skyrme-Hartree-Fock-Bogolyubov equations in the Cartesian deformed harmonic-oscillator basis. (VII) HFODD (v2.49t): A new version of the program". United States. https://doi.org/10.1016/j.cpc.2011.08.013.
@article{osti_1036620,
title = {Solution of the Skyrme-Hartree-Fock-Bogolyubov equations in the Cartesian deformed harmonic-oscillator basis. (VII) HFODD (v2.49t): A new version of the program},
author = {Schunck, Nicolas F and McDonnell, J and Sheikh, J A and Staszczak, A and Stoitsov, Mario and Dobaczewski, J and Toivanen, P},
abstractNote = {We describe the new version (v2.49t) of the code HFODD which solves the nuclear Skyrme Hartree-Fock (HF) or Skyrme Hartree-Fock-Bogolyubov (HFB) problem by using the Cartesian deformed harmonic-oscillator basis. In the new version, we have implemented the following physics features: (i) the isospin mixing and projection, (ii) the finite temperature formalism for the HFB and HF+BCS methods, (iii) the Lipkin translational energy correction method, (iv) the calculation of the shell correction. A number of specific numerical methods have also been implemented in order to deal with large-scale multi-constraint calculations and hardware limitations: (i) the two-basis method for the HFB method, (ii) the Augmented Lagrangian Method (ALM) for multi-constraint calculations, (iii) the linear constraint method based on the approximation of the RPA matrix for multi-constraint calculations, (iv) an interface with the axial and parity-conserving Skyrme-HFB code HFBTHO, (v) the mixing of the HF or HFB matrix elements instead of the HF fields. Special care has been paid to using the code on massively parallel leadership class computers. For this purpose, the following features are now available with this version: (i) the Message Passing Interface (MPI) framework, (ii) scalable input data routines, (iii) multi-threading via OpenMP pragmas, (iv) parallel diagonalization of the HFB matrix in the simplex breaking case using the ScaLAPACK library. Finally, several little significant errors of the previous published version were corrected.},
doi = {10.1016/j.cpc.2011.08.013},
url = {https://www.osti.gov/biblio/1036620},
journal = {Computer Physics Communications},
issn = {0010-4655},
number = 1,
volume = 183,
place = {United States},
year = {Sun Jan 01 00:00:00 EST 2012},
month = {Sun Jan 01 00:00:00 EST 2012}
}