Improving dynamical lattice QCD simulations through integrator tuning using Poisson brackets and a force-gradient integrator

Journal Article · Sat Oct 01 04:00:00 EDT 2011 · Phys.Rev. D

DOI:https://doi.org/10.1103/PhysRevD.84.071502· OSTI ID:1114476

Clark, Michael A. ^[1]; Joo, Balint ^[2]; Kennedy, Anthony D. ^[3]; Silva, Paolo J. ^[4]

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1. Harvard
2. JLAB
3. Edinburgh
4. Coimbra

We show how the integrators used for the molecular dynamics step of the Hybrid Monte Carlo algorithm can be further improved. These integrators not only approximately conserve some Hamiltonian H but conserve exactly a nearby shadow Hamiltonian H~. This property allows for a new tuning method of the molecular dynamics integrator and also allows for a new class of integrators (force-gradient integrators) which is expected to reduce significantly the computational cost of future large-scale gauge field ensemble generation.

• Research Organization: Thomas Jefferson National Accelerator Facility, Newport News, VA (United States)
• Sponsoring Organization: USDOE SC Office of Advanced Scientific Computing Research (SC-21)
• OSTI ID: 1114476
• Report Number(s): JLAB-IT-11-06; DOE/OR/23177-2972; arXiv:1108.1828; FC02-06ER41440; FC02- 06ER41449
• Journal Information: Phys.Rev. D, Journal Name: Phys.Rev. D Journal Issue: 07 Vol. 84
• Country of Publication: United States
• Language: English

Related Subjects

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS