Single flavour optimisations to hybrid Monte Carlo

DOI10.1016/J.CPC.2018.12.009arXiv1806.04350OpenAlexW2808492539WikidataQ128707324 ScholiaQ128707324MaRDI QIDQ6042333FDOQ6042333

Authors: Taylor Haar, Waseem Kamleh, James M. Zanotti, Yoshifumi Nakamura 

Publication date: 10 May 2023

Published in: Computer Physics Communications (Search for Journal in Brave)

Abstract: It has become increasingly important to include one or more individual flavours of dynamical fermion in lattice QCD simulations. This is due in part to the advent of QCD+QED calculations, where isospin symmetry breaking means that the up, down, and strange quarks must be treated separately. These single-flavour pseudofermions are typically implemented as rational approximations to the inverse of the fermion matrix, using the technique known as Rational Hybrid Monte Carlo (RHMC). Over the years, a wide range of methods have been developed for accelerating simulations of two degenerate flavours of pseudofermion, while there are comparatively fewer such techniques for single-flavour pseudofermions. Here, we investigate two different filtering methods that can be applied to RHMC for simulating single-flavour pseudofermions, namely polynomial filtering (PF-RHMC), and filtering via truncations of the ordered product (tRHMC). A novel integration step-size tuning technique based on the characteristic scale is also introduced. Studies are performed on two different lattice volumes, demonstrating that one can achieve significant reductions in the computational cost of single-flavour simulations with these filtering techniques.

Full work available at URL: https://arxiv.org/abs/1806.04350

zbMATH Keywords

hybrid Monte Carlo algorithmmultiple time scale integrationsingle-flavour simulations

Mathematics Subject Classification ID

Quantum theory (81-XX) Computer science (68-XX)

Cites Work

• Symplectic analytically integrable decomposition algorithms: classification, derivation, and application to molecular dynamics, quantum and celestial mechanics simulations
• Speeding up the hybrid Monte Carlo algorithm for dynamical fermions
• Multiple molecular dynamics time-scales in Hybrid Monte Carlo fermion simulations
• Polynomial filtered HMC-an algorithm for lattice QCD with dynamical quarks
• A new exact method for dynamical fermion computations with non-local actions
• Applying polynomial filtering to mass preconditioned hybrid Monte Carlo

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