EigenKernel

DOI10.1007/s13160-019-00361-7zbMath1418.65051OpenAlexW2963029853MaRDI QIDQ2318534

Tomoya Fukumoto, Takeshi Fukaya, Yuki Harada, Hiroto Imachi, Kazuyuki Tanaka, Akiyoshi Kuwata, Yusaku Yamamoto, Takeo Hoshi

Publication date: 15 August 2019

Published in: Japan Journal of Industrial and Applied Mathematics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s13160-019-00361-7

zbMATH Keywords

generalized eigenvalue problemparallel processingBayesian inferenceperformance predictionmiddlewareauto-tuningelectronic state calculation

Mathematics Subject Classification ID

Bayesian inference (62F15) Numerical computation of eigenvalues and eigenvectors of matrices (65F15) Parallel numerical computation (65Y05) Software, source code, etc. for problems pertaining to numerical analysis (65-04)

Related Items

Automatic code selection for the dense symmetric generalized eigenvalue problem using ATMathCoreLib ⋮ An a posteriori verification method for generalized real-symmetric eigenvalue problems in large-scale electronic state calculations ⋮ EigenKernel

Uses Software

• ScaLAPACK
• Elemental
• Python
• ELPA
• GitHub
• CoDEx
• ELSI
• EigenExa
• KMATH_EIGEN_GEV
• ATMathCoreLib
• ELSES

Cites Work

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• Ab initio molecular simulations with numeric atom-centered orbitals
• Elemental
• ELSI: a unified software interface for Kohn-Sham electronic structure solvers