ORCID
- Drach, Vincent: 0000-0001-8948-0220
Abstract
© 2018 Elsevier B.V. Within the HMC algorithm, we discuss how, by using the shadow Hamiltonian and the Poisson brackets, one can achieve a simple factorization in the dependence of the Hamiltonian violations upon either the algorithmic parameters or the parameters specifying the integrator. We consider the simplest case of a second order (nested) Omelyan integrator and one level of Hasenbusch splitting of the determinant for the simulations of a QCD-like theory (with gauge group SU(2)). Given the specific choice of the integrator, the Poisson brackets reduce to the variances of the molecular dynamics forces. We show how the factorization can be used to optimize in a very economical and simple way both the algorithmic and the integrator parameters with good accuracy.
DOI
10.1016/j.cpc.2018.07.012
Publication Date
2019-01-01
Publication Title
Computer Physics Communications
ISSN
0010-4655
Embargo Period
2019-07-23
Organisational Unit
School of Engineering, Computing and Mathematics
Recommended Citation
Bussone, A., Della, M., Drach, V., & Pica, C. (2019) 'Tuning the hybrid Monte Carlo algorithm using molecular dynamics forces’ variances', Computer Physics Communications, . Available at: https://doi.org/10.1016/j.cpc.2018.07.012
