Solution of the SkyrmeHartreeFockBogolyubov equations in the Cartesian deformed harmonicoscillator 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 HartreeFock (HF) or Skyrme HartreeFockBogolyubov (HFB) problem by using the Cartesian deformed harmonicoscillator 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 largescale multiconstraint calculations and hardware limitations: (i) the twobasis method for the HFB method, (ii) the Augmented Lagrangian Method (ALM) for multiconstraint calculations, (iii) the linear constraint method based on the approximation of the RPA matrix for multiconstraint calculations, (iv) an interface with the axial and parityconserving SkyrmeHFB 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) multithreading via OpenMP pragmas, (iv) parallel diagonalization of themore »
 Authors:

 ORNL
 University of Tennessee, Knoxville (UTK) & Oak Ridge National Laboratory (ORNL)
 Maria CurieSklodowska 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:
 DEAC0500OR22725
 Resource Type:
 Journal Article
 Journal Name:
 Computer Physics Communications
 Additional Journal Information:
 Journal Volume: 183; Journal Issue: 1; Journal ID: ISSN 00104655
 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 SkyrmeHartreeFockBogolyubov equations in the Cartesian deformed harmonicoscillator 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 SkyrmeHartreeFockBogolyubov equations in the Cartesian deformed harmonicoscillator basis. (VII) HFODD (v2.49t): A new version of the program. United States. doi:10.1016/j.cpc.2011.08.013.
Schunck, Nicolas F, McDonnell, J, Sheikh, J A, Staszczak, A, Stoitsov, Mario, Dobaczewski, J, and Toivanen, P. Sun .
"Solution of the SkyrmeHartreeFockBogolyubov equations in the Cartesian deformed harmonicoscillator basis. (VII) HFODD (v2.49t): A new version of the program". United States. doi:10.1016/j.cpc.2011.08.013.
@article{osti_1036620,
title = {Solution of the SkyrmeHartreeFockBogolyubov equations in the Cartesian deformed harmonicoscillator 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 HartreeFock (HF) or Skyrme HartreeFockBogolyubov (HFB) problem by using the Cartesian deformed harmonicoscillator 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 largescale multiconstraint calculations and hardware limitations: (i) the twobasis method for the HFB method, (ii) the Augmented Lagrangian Method (ALM) for multiconstraint calculations, (iii) the linear constraint method based on the approximation of the RPA matrix for multiconstraint calculations, (iv) an interface with the axial and parityconserving SkyrmeHFB 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) multithreading 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},
journal = {Computer Physics Communications},
issn = {00104655},
number = 1,
volume = 183,
place = {United States},
year = {2012},
month = {1}
}