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

## Abstract

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.

- Authors:

- Harvard
- JLAB
- Edinburgh
- Coimbra

- Publication Date:

- Research Org.:
- Thomas Jefferson National Accelerator Facility, Newport News, VA (United States)

- Sponsoring Org.:
- USDOE SC Office of Advanced Scientific Computing Research (SC-21)

- OSTI Identifier:
- 1114476

- Report Number(s):
- JLAB-IT-11-06; DOE/OR/23177-2972; arXiv:1108.1828

FC02-06ER41440; FC02- 06ER41449

- DOE Contract Number:
- AC05-060R23177

- Resource Type:
- Journal Article

- Journal Name:
- Phys.Rev. D

- Additional Journal Information:
- Journal Volume: 84; Journal Issue: 07

- Country of Publication:
- United States

- Language:
- English

- Subject:
- 72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS

### Citation Formats

```
Clark, Michael A., Joo, Balint, Kennedy, Anthony D., and Silva, Paolo J.
```*Improving dynamical lattice QCD simulations through integrator tuning using Poisson brackets and a force-gradient integrator*. United States: N. p., 2011.
Web. doi:10.1103/PhysRevD.84.071502.

```
Clark, Michael A., Joo, Balint, Kennedy, Anthony D., & Silva, Paolo J.
```*Improving dynamical lattice QCD simulations through integrator tuning using Poisson brackets and a force-gradient integrator*. United States. doi:10.1103/PhysRevD.84.071502.

```
Clark, Michael A., Joo, Balint, Kennedy, Anthony D., and Silva, Paolo J. Sat .
"Improving dynamical lattice QCD simulations through integrator tuning using Poisson brackets and a force-gradient integrator". United States. doi:10.1103/PhysRevD.84.071502.
```

```
@article{osti_1114476,
```

title = {Improving dynamical lattice QCD simulations through integrator tuning using Poisson brackets and a force-gradient integrator},

author = {Clark, Michael A. and Joo, Balint and Kennedy, Anthony D. and Silva, Paolo J.},

abstractNote = {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.},

doi = {10.1103/PhysRevD.84.071502},

journal = {Phys.Rev. D},

number = 07,

volume = 84,

place = {United States},

year = {2011},

month = {10}

}

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