In preparation for next-generation supercomputer Summit, the Oak Ridge Leadership Computing Facility (OLCF) selected 13 partnership projects into its Center for Accelerated Application Readiness (CAAR) program. A collaborative effort of application development teams and staff from the OLCF Scientific Computing group, CAAR is focused on redesigning, porting, and optimizing application codes for Summit’s hybrid CPU–GPU architecture. Through CAAR, codes teams gain access to early software development systems, leadership computing resources, and technical support from the IBM/NVIDIA Center of Excellence at Oak Ridge National Laboratory. The program culminates with each team’s scientific grand-challenge demonstration on Summit. The modeling and simulation applications selected for the CAAR program include:
Science Domain: Climate
Title: Climate Research: Advancing Earth System Models
PI: David Bader, Lawrence Livermore National Laboratory
Science Domain: Relativistic Quantum Chemistry
Title: CAAR Oak Ridge Proposal for getting the Relativistic Quantum Chemistry Program Package DIRAC ready for SUMMIT
PI: Lucas Visscher, Amsterdam Center for Multiscale Modeling /VU University Amsterdam
Science Domain: Astrophysics
Title: Using FLASH for Astrophysics Simulations at an Unprecedented Scale
PI: Bronson Messer, Oak Ridge National Laboratory
Science Domain: Plasma Physics
Title: Particle Turbulence Simulations for Sustainable Fusion Reactions in ITER
PI: Zhihong Lin, University of California–Irvine
Science Domain: Cosmology
Title: Cosmological Simulations for Large-scale Sky Surveys
PI: Salman Habib, Argonne National Laboratory
Science Domain: Quantum Chemistry
Title: Large-scale Coupled-cluster Calculations of Supramolecular Wires
PI: Poul Jørgensen, Aarhus University
Science Domain: Biophysics
Title: Molecular Machinery of the Brain
PI: Klaus Schulten, University of Illinois at Urbana-Champaign
Science Domain: Nuclear Physics
Title: Nuclear Structure and Nuclear Reactions
PI: Gaute Hagen, Oak Ridge National Laboratory
Science Domain: Computational Chemistry
Title: Developing Coupled Cluster Methodologies for GPUs
PI: Karol Kowalski, Pacific Northwest National Laboratory
Science Domain: Materials Sciences
Title: Materials Science Research for High-Temperature Superconductors
PI: Paul Kent, Oak Ridge National Laboratory
Science Domain: Engineering/Combustion
Title: Fluid Dynamics Research to Accelerate Combustion Science
PI: Joseph Oefelein, Sandia National Laboratories
Science Domain: Seismology
Title: Mapping the Earth’s Interior Using Big Data
PI: Jeroen Tromp, Princeton University
Science Domain: Plasma Physics
Title: Multiphysics Magnetic Fusion Reactor Simulator, from Hot Core to Cold Wall
PI: C.S. Chang, Princeton Plasma Physics Laboratory, Princeton University
