Search Menu
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information
Search Scholarly Publications

Title: SIMULATeQCD: A simple multi-GPU lattice code for QCD calculations

Journal Article · · Computer Physics Communications
ORCiD logo [1];  [2];  [3];  [4];  [4];  [5];  [6];  [7];  [2];  [4];  [4];  [4];  [8];  [9];  [4];  [2];  [2]
  1. Univ. Paderborn (Germany)
  2. Brookhaven National Laboratory (BNL), Upton, NY (United States)
  3. Univ. of Utah, Salt Lake City, UT (United States)
  4. Bielefeld University (Germany)
  5. University of Stavanger (Norway)
  6. Univ. of Regensburg (Germany)
  7. RIKEN Center for Computational Science (Japan)
  8. Bielefeld University (Germany); University of Lahore (Pakistan)
  9. Forschungszentrum Juelich (Germany)
+ Show Author Affiliations

The rise of exascale supercomputers has fueled competition among GPU vendors, driving lattice QCD developers to write code that supports multiple APIs. Moreover, new developments in algorithms and physics research require frequent updates to existing software. These challenges have to be balanced against constantly changing personnel. At the same time, there is a wide range of applications for HISQ fermions in QCD studies. This situation encourages the development of software featuring a HISQ action that is flexible, high-performing, open source, easy to use, and easy to adapt. In this technical paper, we explain the design strategy, provide implementation details, list available algorithms and modules, and show key performance indicators for SIMULATeQCD, a simple multi-GPU lattice code for large-scale QCD calculations, mainly developed and used by the HotQCD collaboration. The code is publicly available on GitHub.

Research Organization:
Brookhaven National Laboratory (BNL), Upton, NY (United States); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)
Sponsoring Organization:
USDOE Office of Science (SC), Nuclear Physics (NP); USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)
Contributing Organization:
HotQCD collaboration
Grant/Contract Number:
SC0012704; AC05-00OR22725; AC02-05CH11231
OSTI ID:
2336586
Report Number(s):
BNL--225460-2024-JAAM
Journal Information:
Computer Physics Communications, Journal Name: Computer Physics Communications Vol. 300; ISSN 0010-4655
Publisher:
ElsevierCopyright Statement
Country of Publication:
United States
Language:
English

References (49)

Data publication: The sphaleron rate from Euclidean lattice correlators: an exploration dataset January 2021
Runge-Kutta methods on Lie groups journal March 1998
A new method for updating SU(N) matrices in computer simulations of gauge theories journal December 1982
Chemical potential on the lattice journal June 1983
Heat bath method for the twisted Eguchi-Kawai model journal August 1984
Improved heatbath method for Monte Carlo calculations in lattice gauge theories journal June 1985
Efficient gauge fixing via overrelaxation journal September 1990
Hamiltonian evolution for the hybrid Monte Carlo algorithm journal August 1992
Highly improved lattice field-strength tensor journal March 2003
Symplectic analytically integrable decomposition algorithms: classification, derivation, and application to molecular dynamics, quantum and celestial mechanics simulations journal April 2003
Commutator-free Lie group methods journal April 2003
Speeding up the hybrid Monte Carlo algorithm for dynamical fermions journal October 2001
The RHMC algorithm for 2 flavours of dynamical staggered fermions journal March 2004
A new exact method for dynamical fermion computations with non-local actions journal March 1999
Solving lattice QCD systems of equations using mixed precision solvers on GPUs journal September 2010
Building the International Lattice Data Grid journal June 2011
QCDml: First milestones for building an International Lattice Data Grid journal March 2005
The Chroma Software System for Lattice QCD journal March 2005
Static quark anti-quark interactions at non-zero temperature from lattice QCD journal January 2022
Equation of State Calculations by Fast Computing Machines journal June 1953
The phase structure of QCD journal August 2017
Innovations in lattice QCD algorithms journal September 2006
Maximally equidistributed combined Tausworthe generators journal January 1996
Confinement of quarks journal October 1974
B s → K ℓ ν decay from lattice QCD journal August 2019
Skewness, kurtosis, and the fifth and sixth order cumulants of net baryon-number distributions from lattice QCD confront high-statistics STAR data journal April 2020
Heavy quark momentum diffusion from the lattice using gradient flow journal January 2021
Sphaleron rate from Euclidean lattice correlators: An exploration journal June 2021
Sensitivity of the Polyakov loop and related observables to chiral symmetry restoration journal January 2021
Second order cumulants of conserved charge fluctuations revisited: Vanishing chemical potentials journal October 2021
Chiral phase transition in three-flavor QCD from lattice QCD journal February 2022
Contribution to understanding the phase structure of strong interaction matter: Lee-Yang edge singularities from lattice QCD journal February 2022
Taylor expansions and Padé approximants for cumulants of conserved charge fluctuations at nonvanishing chemical potentials journal April 2022
Lattice QCD noise reduction for bosonic correlators through blocking journal May 2022
Toward the chiral phase transition in the Roberge-Weiss plane journal July 2022
Gluon parton distribution of the nucleon from ( 2+1+1 )-flavor lattice QCD in the physical-continuum limit journal July 2023
Hamiltonian formulation of Wilson's lattice gauge theories journal January 1975
Over-relaxation method for the Monte Carlo evaluation of the partition function for multiquadratic actions journal June 1981
Overrelaxation and Monte Carlo simulation journal July 1987
Flavor symmetry and the static potential with hypercubic blocking journal July 2001
Highly improved staggered quarks on the lattice with applications to charm physics journal March 2007
Effective field theories for QCD with rooted staggered fermions journal April 2008
Scaling studies of QCD with the dynamical highly improved staggered quark action journal October 2010
Chiral and deconfinement aspects of the QCD transition journal March 2012
High-precision quark masses and QCD coupling from n f = 4 lattice QCD journal March 2015
Nonperturbative QCD simulations with 2 + 1 flavors of improved staggered quarks journal May 2010
Overview of the QCD phase diagram: Recent progress from the lattice journal April 2021
Symanzik improvement of the gradient flow in lattice gauge theories journal January 2016
Thermodynamics of strong-interaction matter from lattice QCD journal October 2015

Linked Research (1)

Similar Records

Related Subjects

73 NUCLEAR PHYSICS AND RADIATION PHYSICS
CUDA
GPU
HIP
Lattice QCD