The LAPW method with eigendecomposition based on the Hari--Zimmermann generalized hyperbolic SVD
In this paper we propose an accurate, highly parallel algorithm for the generalized
eigendecomposition of a matrix pair (H,S), given in a factored form (F^∗JF,G^∗G). Matrices …
eigendecomposition of a matrix pair (H,S), given in a factored form (F^∗JF,G^∗G). Matrices …
Hybrid parallelization and performance optimization of the FLEUR code: New possibilities for all-electron density functional theory
U Alekseeva, G Michalicek, D Wortmann… - Euro-Par 2018: Parallel …, 2018 - Springer
A hybrid MPI+ OpenMP parallelization strategy has been implemented into the density
functional theory code FLEUR. Based on the full-potential linearized augmented plane-wave …
functional theory code FLEUR. Based on the full-potential linearized augmented plane-wave …
Linnea: a compiler for mapping linear algebra problems onto high-performance kernel libraries
Die Übersetzung von Berechnungen der linearen Algebra in effizienten Code, der aus
Funktionen (sogenannte Kernel) besteht, wie sie von Bibliotheken wie BLAS und LAPACK …
Funktionen (sogenannte Kernel) besteht, wie sie von Bibliotheken wie BLAS und LAPACK …
Accelerating the computation of FLAPW methods on heterogeneous architectures
D Davidović, D Fabregat‐Traver… - Concurrency and …, 2018 - Wiley Online Library
Legacy codes in computational science and engineering have been very successful in
providing essential functionality to researchers. However, they are not capable of exploiting …
providing essential functionality to researchers. However, they are not capable of exploiting …
Hybrid CPU-GPU generation of the Hamiltonian and Overlap matrices in FLAPW methods
D Fabregat-Traver, D Davidović, M Höhnerbach… - Jülich Aachen Research …, 2016 - Springer
In this paper we focus on the integration of high-performance numerical libraries in ab initio
codes and the portability of performance and scalability. The target of our work is FLEUR, a …
codes and the portability of performance and scalability. The target of our work is FLEUR, a …
Hybrid CPU-GPU Generation of the Hamiltonian and Overlap Matrices in FLAPW Methods
E Di Napoli - High-Performance Scientific Computing: First JARA …, 2017 - books.google.com
In this paper we focus on the integration of high-performance numerical libraries in ab initio
codes and the portability of performance and scalability. The target of our work is FLEUR, a …
codes and the portability of performance and scalability. The target of our work is FLEUR, a …