Status and future perspectives for lattice gauge theory calculations to the exascale and beyond

Joó, Bálint; Jung, Chulwoo; Christ, Norman H.; Detmold, William; Edwards, Robert G.; Savage, Martin; Shanahan, Phiala

doi:10.1140/epja/i2019-12919-7

Title: Status and future perspectives for lattice gauge theory calculations to the exascale and beyond

Abstract

n this and a set of companion white papers, the USQCD Collaboration lays out a program of science and computing for lattice gauge theory. These white papers describe how calculation using Lattice QCD (and other gauge theories) can aid the interpretation of ongoing and upcoming experiments in particle and nuclear physics, as well as inspire new ones.

Authors:

Joó, Bálint ^[1]; Jung, Chulwoo ^[2]; Christ, Norman H. ^[3]; Detmold, William ^[4]; Edwards, Robert G. ^[1]; Savage, Martin ^[5]; Shanahan, Phiala ^[4]

Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)
Brookhaven National Lab. (BNL), Upton, NY (United States)
Columbia Univ., New York, NY (United States)
Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
Univ. of Washington, Seattle, WA (United States)

Publication Date:: Thu Nov 14 00:00:00 EST 2019

Research Org.:: Brookhaven National Laboratory (BNL), Upton, NY (United States); Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), High Energy Physics (HEP); USDOE Office of Science (SC), Nuclear Physics (NP)

OSTI Identifier:: 1581234

Alternate Identifier(s):: OSTI ID: 1582302; OSTI ID: 1635206

Report Number(s):: BNL-212488-2019-JAAM; JLAB-CIO-19-2957; DOE/OR/23177-4889; arXiv:1904.09725
Journal ID: ISSN 1434-6001; TRN: US2101093

Grant/Contract Number:: SC0012704; SC0011090; AC05-06OR23177

Resource Type:: Accepted Manuscript

Journal Name:: European Physical Journal. A

Additional Journal Information:: Journal Volume: 55; Journal Issue: 11; Journal ID: ISSN 1434-6001

Publisher:: Springer

Country of Publication:: United States

Language:: English

Subject:: 72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS; lattice; QCD; exascale; gauge; whitepaper; HPC; ECP; LQCD

Citation Formats


                    Joó, Bálint, Jung, Chulwoo, Christ, Norman H., Detmold, William, Edwards, Robert G., Savage, Martin, and Shanahan, Phiala. Status and future perspectives for lattice gauge theory calculations to the exascale and beyond.  United States: N. p., 2019. 
Web.  doi:10.1140/epja/i2019-12919-7.

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                    Joó, Bálint, Jung, Chulwoo, Christ, Norman H., Detmold, William, Edwards, Robert G., Savage, Martin, & Shanahan, Phiala. Status and future perspectives for lattice gauge theory calculations to the exascale and beyond.  United States.  https://doi.org/10.1140/epja/i2019-12919-7

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                    Joó, Bálint, Jung, Chulwoo, Christ, Norman H., Detmold, William, Edwards, Robert G., Savage, Martin, and Shanahan, Phiala. Thu .  
"Status and future perspectives for lattice gauge theory calculations to the exascale and beyond".  United States.  https://doi.org/10.1140/epja/i2019-12919-7.  https://www.osti.gov/servlets/purl/1581234.

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@article{osti_1581234,

  title        = {Status and future perspectives for lattice gauge theory calculations to the exascale and beyond},

  author       = {Joó, Bálint and Jung, Chulwoo and Christ, Norman H. and Detmold, William and Edwards, Robert G. and Savage, Martin and Shanahan, Phiala},

  abstractNote = {n this and a set of companion white papers, the USQCD Collaboration lays out a program of science and computing for lattice gauge theory. These white papers describe how calculation using Lattice QCD (and other gauge theories) can aid the interpretation of ongoing and upcoming experiments in particle and nuclear physics, as well as inspire new ones.},

  doi          = {10.1140/epja/i2019-12919-7},

  journal      = {European Physical Journal. A},

  number       = 11,

  volume       = 55,

  place        = {United States},

  year         = {Thu Nov 14 00:00:00 EST 2019},

  month        = {Thu Nov 14 00:00:00 EST 2019}

}

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text, January 2016

Carrasquilla, Juan; Melko, Roger G.
arXiv
DOI: 10.48550/arxiv.1605.01735

Machine Learning Phases of Strongly Correlated Fermions
text, January 2016

Ch'ng, Kelvin; Carrasquilla, Juan; Melko, Roger G.
arXiv
DOI: 10.48550/arxiv.1609.02552

Machine Learning of Explicit Order Parameters: From the Ising Model to SU(2) Lattice Gauge Theory
text, January 2017

Wetzel, Sebastian Johann; Scherzer, Manuel
arXiv
DOI: 10.48550/arxiv.1705.05582

Revisiting the Hybrid Quantum Monte Carlo Method for Hubbard and Electron-Phonon Models
text, January 2017

Beyl, Stefan; Goth, Florian; Assaad, Fakher F.
arXiv
DOI: 10.48550/arxiv.1708.03661

Multi-Grid Lanczos
text, January 2017

Clark, M. A.; Jung, Chulwoo; Lehner, Christoph
arXiv
DOI: 10.48550/arxiv.1710.06884

Quantum Computing in the NISQ era and beyond
text, January 2018

Preskill, John
arXiv
DOI: 10.48550/arxiv.1801.00862

Automated lattice data generation
text, January 2018

Ayyar, Venkitesh; Hackett, Daniel C.; Jay, William I.
arXiv
DOI: 10.48550/arxiv.1802.00851

Machine Learning Estimators for Lattice QCD Observables
text, January 2018

Yoon, Boram; Bhattacharya, Tanmoy; Gupta, Rajan
arXiv
DOI: 10.48550/arxiv.1807.05971

Opportunities for lattice QCD in quark and lepton flavor physics
text, January 2019

Lehner, Christoph; Meinel, Stefan; Blum, Tom
arXiv
DOI: 10.48550/arxiv.1904.09479

The Role of Lattice QCD in Searches for Violations of Fundamental Symmetries and Signals for New Physics
text, January 2019

Cirigliano, Vincenzo; Davoudi, Zohreh; Bhattacharya, Tanmoy
arXiv
DOI: 10.48550/arxiv.1904.09704

Lattice QCD and Neutrino-Nucleus Scattering
text, January 2019

Kronfeld, Andreas S.; Richards, David G.; Detmold, William
arXiv
DOI: 10.48550/arxiv.1904.09931

Lattice Gauge Theory for Physics Beyond the Standard Model
text, January 2019

Brower, Richard C.; Hasenfratz, Anna; Neil, Ethan T.
arXiv
DOI: 10.48550/arxiv.1904.09964

Flow-based generative models for Markov chain Monte Carlo in lattice field theory
text, January 2019

Albergo, M. S.; Kanwar, G.; Shanahan, P. E.
arXiv
DOI: 10.48550/arxiv.1904.12072

Solution of the Dirac equation in lattice QCD using a domain decomposition method
text, January 2003

Lüscher, Martin
arXiv
DOI: 10.48550/arxiv.hep-lat/0310048

The Chroma Software System for Lattice QCD
text, January 2004

Edwards, Robert G.; Joo, Balint
arXiv
DOI: 10.48550/arxiv.hep-lat/0409003

Practical all-to-all propagators for lattice QCD
text, January 2005

Foley, Justin; Juge, K. Jimmy; O'Cais, Alan
arXiv
DOI: 10.48550/arxiv.hep-lat/0505023

Accelerating Dynamical Fermion Computations using the Rational Hybrid Monte Carlo (RHMC) Algorithm with Multiple Pseudofermion Fields
text, January 2006

Clark, M. A.; Kennedy, A. D.
arXiv
DOI: 10.48550/arxiv.hep-lat/0608015

Lattice QCD as a video game
text, January 2006

Egri, Gyozo I.; Fodor, Zoltan; Hoelbling, Christian
arXiv
DOI: 10.48550/arxiv.hep-lat/0611022

Resonance Scattering Phase Shifts on a Non-Rest Frame Lattice
text, January 1995

Rummukainen, K.; Gottlieb, Steven
arXiv
DOI: 10.48550/arxiv.hep-lat/9503028

A Polynomial Hybrid Monte Carlo Algorithm
text, January 1997

Frezzotti, Roberto; Jansen, Karl
arXiv
DOI: 10.48550/arxiv.hep-lat/9702016

Status of the QCDSP project
text, January 1998

Chen, Dong; Chen, Ping; Christ, Norman H.
arXiv
DOI: 10.48550/arxiv.hep-lat/9810004

Aharonov-Bohm effect and nucleon-nucleon phase shifts on the lattice
text, January 2004

Bedaque, Paulo F.
arXiv
DOI: 10.48550/arxiv.nucl-th/0402051

Works referencing / citing this record:

Opportunities for Lattice QCD in quark and lepton flavor physics
journal, November 2019

Lehner, Christoph; Meinel, Stefan; Blum, Tom
The European Physical Journal A, Vol. 55, Issue 11
DOI: 10.1140/epja/i2019-12891-2

Lattice gauge theory for physics beyond the Standard Model
journal, November 2019

Brower, Richard C.; Hasenfratz, Anna; Neil, Ethan T.
The European Physical Journal A, Vol. 55, Issue 11
DOI: 10.1140/epja/i2019-12901-5

Hadrons and nuclei
journal, November 2019

Detmold, William; Edwards, Robert G.; Dudek, Jozef J.
The European Physical Journal A, Vol. 55, Issue 11
DOI: 10.1140/epja/i2019-12902-4

Lattice QCD and neutrino-nucleus scattering
journal, November 2019

Kronfeld, Andreas S.; Richards, David G.; Detmold, William
The European Physical Journal A, Vol. 55, Issue 11
DOI: 10.1140/epja/i2019-12916-x

Opportunities for lattice QCD in quark and lepton flavor physics
text, January 2019

Lehner, Christoph; Meinel, Stefan; Blum, Tom
arXiv
DOI: 10.48550/arxiv.1904.09479

Lattice QCD and Neutrino-Nucleus Scattering
text, January 2019

Kronfeld, Andreas S.; Richards, David G.; Detmold, William
arXiv
DOI: 10.48550/arxiv.1904.09931

Lattice Gauge Theory for Physics Beyond the Standard Model
text, January 2019

Brower, Richard C.; Hasenfratz, Anna; Neil, Ethan T.
arXiv
DOI: 10.48550/arxiv.1904.09964

Lattice Gauge Theory for Physics Beyond the Standard Model
text, January 2019

Brower, Richard C.; Hasenfratz, Anna; Neil, Ethan T.
arXiv
DOI: 10.48550/arxiv.1904.09964

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Title: Status and future perspectives for lattice gauge theory calculations to the exascale and beyond

Abstract

Citation Formats

Hybrid Monte Carlo journal, September 1987

Gauge invariant Fourier acceleration journal, May 1988

Kokkos: Enabling manycore performance portability through polymorphic memory access patterns journal, December 2014

Globus Online: Accelerating and Democratizing Science through Cloud-Based Services journal, May 2011

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Applications of neural networks to the studies of phase transitions of two-dimensional Potts models journal, April 2018

Adaptive Multigrid Algorithm for the Lattice Wilson-Dirac Operator journal, November 2010

Machine learning of explicit order parameters: From the Ising model to SU(2) lattice gauge theory journal, November 2017

Solution of the Dirac equation in lattice QCD using a domain decomposition method journal, January 2004

Adaptive Multigrid Algorithm for Lattice QCD journal, January 2008

Machine Learning Phases of Strongly Correlated Fermions journal, August 2017

Deflation acceleration of lattice QCD simulations journal, December 2007

Self-learning quantum Monte Carlo method in interacting fermion systems journal, July 2017

Exact pseudofermion action for Monte Carlo simulation of domain-wall fermion journal, November 2014

Overview of the QCDSP and QCDOC computers journal, March 2005

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Quantum Computing in the NISQ era and beyond journal, August 2018

Lattice QCD and neutrino-nucleus scattering journal, November 2019

How to calculate the elastic scattering matrix in two-dimensional quantum field theories by numerical simulation journal, July 1990

Methods of conjugate gradients for solving linear systems journal, December 1952

Aharonov–Bohm effect and nucleon–nucleon phase shifts on the lattice journal, July 2004

Lattice gauge theory for physics beyond the Standard Model journal, November 2019

Covariant approximation averaging journal, June 2015

Automated lattice data generation journal, January 2018

Multiscale Monte Carlo equilibration: Pure Yang-Mills theory journal, December 2015

Isoscalar π π Scattering and the σ Meson Resonance from QCD journal, January 2017

Deep learning beyond Lefschetz thimbles journal, November 2017

A Direct Approach to Conformational Dynamics Based on Hybrid Monte Carlo journal, May 1999

The BAGEL assembler generation library journal, December 2009

Hybrid Monte Carlo simulations theory and initial comparison with molecular dynamics journal, August 1993

Langevin simulations of lattice field theories journal, November 1985

Machine learning estimators for lattice QCD observables journal, July 2019

Lattice QCD and the Schwarz alternating procedure journal, May 2003

Two-particle states on a torus and their relation to the scattering matrix journal, May 1991

An Introduction to MCMC for Machine Learning journal, January 2003

A Flexible Inner-Outer Preconditioned GMRES Algorithm journal, March 1993

Adjoint sources in lattice gauge theory journal, September 1985

Accelerating Dynamical-Fermion Computations Using the Rational Hybrid Monte Carlo Algorithm with Multiple Pseudofermion Fields journal, January 2007

Parallelizing the QUDA Library for Multi-GPU Calculations in Lattice Quantum Chromodynamics conference, November 2010

Multi-Grid Lanczos journal, January 2018

The Chroma Software System for Lattice QCD journal, March 2005

Lattice QCD on Intel® Xeon PhiTM Coprocessors book, January 2013

Pushing memory bandwidth limitations through efficient implementations of Block-Krylov space solvers on GPUs journal, December 2018

Toward resilient algorithms and applications conference, January 2013

Nuclear correlation functions in lattice QCD journal, June 2013

Hadrons and nuclei journal, November 2019

Hierarchical Probing for Estimating the Trace of the Matrix Inverse on Toroidal Lattices journal, January 2013

Revisiting the hybrid quantum Monte Carlo method for Hubbard and electron-phonon models journal, February 2018

Speeding up the hybrid Monte Carlo algorithm for dynamical fermions journal, October 2001

HMC algorithm with multiple time scale integration and mass preconditioning journal, January 2006

A Framework for Lattice QCD Calculations on GPUs conference, May 2014

Resonance scattering phase shifts on a non-rest-frame lattice journal, September 1995

Adaptive Aggregation-Based Domain Decomposition Multigrid for the Lattice Wilson--Dirac Operator journal, January 2014

Iterative Methods for Sparse Linear Systems book, January 2003

Novel quark-field creation operator construction for hadronic physics in lattice QCD journal, September 2009

The role of Lattice QCD in searches for violations of fundamental symmetries and signals for new physics journal, November 2019

Equation of State Calculations by Fast Computing Machines journal, June 1953

Flow-based generative models for Markov chain Monte Carlo in lattice field theory journal, August 2019

Lattice QCD as a video game journal, October 2007

Optimized Forest–Ruth- and Suzuki-like algorithms for integration of motion in many-body systems journal, July 2002

Machine learning phases of matter journal, February 2017

Practical all-to-all propagators for lattice QCD journal, November 2005

The GF11 supercomputer journal, June 1985

Hot-dense Lattice QCD journal, November 2019

Exploring cluster Monte Carlo updates with Boltzmann machines journal, November 2017

Scaling lattice QCD beyond 100 GPUs conference, January 2011

Speeding up lattice QCD simulations with clover-improved Wilson fermions journal, May 2003

ACPMAPS: The Fermilab lattice supercomputer project journal, April 1988

Multigrid algorithm for staggered lattice fermions journal, June 2018

Testing and tuning symplectic integrators for the hybrid Monte Carlo algorithm in lattice QCD journal, March 2006

Bi-CGSTAB: A Fast and Smoothly Converging Variant of Bi-CG for the Solution of Nonsymmetric Linear Systems journal, March 1992

Adaptive Smoothed Aggregation ($\alpha$SA) journal, January 2004

Machine learning action parameters in lattice quantum chromodynamics journal, May 2018

Hybrid Monte Carlo
journal, September 1987

Gauge invariant Fourier acceleration
journal, May 1988

Kokkos: Enabling manycore performance portability through polymorphic memory access patterns
journal, December 2014

Globus Online: Accelerating and Democratizing Science through Cloud-Based Services
journal, May 2011

$S$ - and $D$ -wave phase shifts in isospin-2 $π π$ scattering from lattice QCD
journal, August 2012

Solving lattice QCD systems of equations using mixed precision solvers on GPUs
journal, September 2010

Hamiltonian evolution for the hybrid Monte Carlo algorithm
journal, August 1992

Toward solving the sign problem with path optimization method
journal, December 2017

New class of variance-reduction techniques using lattice symmetries
journal, November 2013

Applications of neural networks to the studies of phase transitions of two-dimensional Potts models
journal, April 2018

Adaptive Multigrid Algorithm for the Lattice Wilson-Dirac Operator
journal, November 2010

Machine learning of explicit order parameters: From the Ising model to SU(2) lattice gauge theory
journal, November 2017

Solution of the Dirac equation in lattice QCD using a domain decomposition method
journal, January 2004

Adaptive Multigrid Algorithm for Lattice QCD
journal, January 2008

Machine Learning Phases of Strongly Correlated Fermions
journal, August 2017

Deflation acceleration of lattice QCD simulations
journal, December 2007

Self-learning quantum Monte Carlo method in interacting fermion systems
journal, July 2017

Exact pseudofermion action for Monte Carlo simulation of domain-wall fermion
journal, November 2014

Overview of the QCDSP and QCDOC computers
journal, March 2005

Improving dynamical lattice QCD simulations through integrator tuning using Poisson brackets and a force-gradient integrator
journal, October 2011

Quantum Computing in the NISQ era and beyond
journal, August 2018

Lattice QCD and neutrino-nucleus scattering
journal, November 2019

How to calculate the elastic scattering matrix in two-dimensional quantum field theories by numerical simulation
journal, July 1990

Methods of conjugate gradients for solving linear systems
journal, December 1952

Aharonov–Bohm effect and nucleon–nucleon phase shifts on the lattice
journal, July 2004

Lattice gauge theory for physics beyond the Standard Model
journal, November 2019

Covariant approximation averaging
journal, June 2015

Automated lattice data generation
journal, January 2018

Multiscale Monte Carlo equilibration: Pure Yang-Mills theory
journal, December 2015

Isoscalar $π π$ Scattering and the $σ$ Meson Resonance from QCD
journal, January 2017

Deep learning beyond Lefschetz thimbles
journal, November 2017

A Direct Approach to Conformational Dynamics Based on Hybrid Monte Carlo
journal, May 1999

The BAGEL assembler generation library
journal, December 2009

Hybrid Monte Carlo simulations theory and initial comparison with molecular dynamics
journal, August 1993

Langevin simulations of lattice field theories
journal, November 1985

Machine learning estimators for lattice QCD observables
journal, July 2019

Lattice QCD and the Schwarz alternating procedure
journal, May 2003

Two-particle states on a torus and their relation to the scattering matrix
journal, May 1991

An Introduction to MCMC for Machine Learning
journal, January 2003

A Flexible Inner-Outer Preconditioned GMRES Algorithm
journal, March 1993

Adjoint sources in lattice gauge theory
journal, September 1985

Accelerating Dynamical-Fermion Computations Using the Rational Hybrid Monte Carlo Algorithm with Multiple Pseudofermion Fields
journal, January 2007

Parallelizing the QUDA Library for Multi-GPU Calculations in Lattice Quantum Chromodynamics
conference, November 2010

Multi-Grid Lanczos
journal, January 2018

The Chroma Software System for Lattice QCD
journal, March 2005

Lattice QCD on Intel® Xeon PhiTM Coprocessors
book, January 2013

Pushing memory bandwidth limitations through efficient implementations of Block-Krylov space solvers on GPUs
journal, December 2018

Toward resilient algorithms and applications
conference, January 2013

Nuclear correlation functions in lattice QCD
journal, June 2013

Hadrons and nuclei
journal, November 2019

Hierarchical Probing for Estimating the Trace of the Matrix Inverse on Toroidal Lattices
journal, January 2013

Revisiting the hybrid quantum Monte Carlo method for Hubbard and electron-phonon models
journal, February 2018

Speeding up the hybrid Monte Carlo algorithm for dynamical fermions
journal, October 2001

HMC algorithm with multiple time scale integration and mass preconditioning
journal, January 2006

A Framework for Lattice QCD Calculations on GPUs
conference, May 2014

Resonance scattering phase shifts on a non-rest-frame lattice
journal, September 1995

Adaptive Aggregation-Based Domain Decomposition Multigrid for the Lattice Wilson--Dirac Operator
journal, January 2014

Iterative Methods for Sparse Linear Systems
book, January 2003

Novel quark-field creation operator construction for hadronic physics in lattice QCD
journal, September 2009

The role of Lattice QCD in searches for violations of fundamental symmetries and signals for new physics
journal, November 2019

Equation of State Calculations by Fast Computing Machines
journal, June 1953

Flow-based generative models for Markov chain Monte Carlo in lattice field theory
journal, August 2019

Lattice QCD as a video game
journal, October 2007

Optimized Forest–Ruth- and Suzuki-like algorithms for integration of motion in many-body systems
journal, July 2002

Machine learning phases of matter
journal, February 2017

Practical all-to-all propagators for lattice QCD
journal, November 2005

The GF11 supercomputer
journal, June 1985

Hot-dense Lattice QCD
journal, November 2019

Exploring cluster Monte Carlo updates with Boltzmann machines
journal, November 2017

Scaling lattice QCD beyond 100 GPUs
conference, January 2011

Speeding up lattice QCD simulations with clover-improved Wilson fermions
journal, May 2003

ACPMAPS: The Fermilab lattice supercomputer project
journal, April 1988

Multigrid algorithm for staggered lattice fermions
journal, June 2018

Testing and tuning symplectic integrators for the hybrid Monte Carlo algorithm in lattice QCD
journal, March 2006

Bi-CGSTAB: A Fast and Smoothly Converging Variant of Bi-CG for the Solution of Nonsymmetric Linear Systems
journal, March 1992

Adaptive Smoothed Aggregation ($\alpha$SA)
journal, January 2004

Machine learning action parameters in lattice quantum chromodynamics
journal, May 2018

Opportunities for Lattice QCD in quark and lepton flavor physics
journal, November 2019

Signatures of unstable particles in finite volume
journal, October 1991

Exascale Deep Learning for Climate Analytics
conference, November 2018