Tuning the Hybrid Monte Carlo algorithm using molecular dynamics forces' variances
| Autor: | Michele Della Morte, Andrea Bussone, Vincent Drach, Claudio Pica |
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| Rok vydání: | 2018 |
| Předmět: |
High Energy Physics - Lattice (hep-lat)
General Physics and Astronomy FOS: Physical sciences Hybrid Monte Carlo 01 natural sciences 010305 fluids & plasmas Shadow Hamiltonian Poisson bracket symbols.namesake Molecular dynamics Lattice gauge theory High Energy Physics - Lattice Factorization Hardware and Architecture Gauge group Integrator 0103 physical sciences symbols 010306 general physics Hamiltonian (quantum mechanics) Algorithm Mathematics |
| Zdroj: | Bussone, A, Della Morte, M, Drach, V & Pica, C 2018, ' Tuning the hybrid Monte Carlo algorithm using molecular dynamics forces' variances ', Computer Physics Communications, vol. 234, no. januar, pp. 179-187 . https://doi.org/10.1016/j.cpc.2018.07.012 |
| DOI: | 10.48550/arxiv.1801.06412 |
| Popis: | 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. Comment: Version accepted for publication in Computer Physics Communications. Typos fixed. Formula 2.15 corrected. Discussion at the end of Section 3 rewritten. 19 pages, 8 figures |
| Databáze: | OpenAIRE |
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