TY - JOUR
T1 - Tuning the hybrid Monte Carlo algorithm using molecular dynamics forces’ variances
AU - Bussone, A.
AU - Della, Morte M
AU - Drach, V.
AU - Pica, C.
PY - 2019/1
Y1 - 2019/1
N2 - © 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.
AB - © 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.
UR - https://pearl.plymouth.ac.uk/context/secam-research/article/2247/viewcontent/1801.06412v1.pdf
U2 - 10.1016/j.cpc.2018.07.012
DO - 10.1016/j.cpc.2018.07.012
M3 - Article
SN - 0010-4655
VL - 0
JO - Computer Physics Communications
JF - Computer Physics Communications
IS - 0
ER -