Theta serves as a bridge between the ALCF’s other production system, Mira, and Aurora, an exascale system slated for delivery in 2021.
The Theta and Aurora Early Science Programs are based on the ALCF's highly successful Mira ESP.
ALCF Theta ESP Technical Reports
These reports document the computational efforts and lessons learned in preparing the projects' applications to run on Theta. These Argonne/ALCF reports may form the basis of journal/conference publications:
- Electronic Structure-Based Discovery of Hybrid Photovoltaic Materials on Next-Generation HPC Platforms (ANL/ALCF/ESP-17/2)
- Large-Scale Simulation of Brain Tissue, Blue Brain Project, EPFL (ANL/ALCF/ESP-17/3)
- Flow, Mixing and Combustion of Transient Turbulent Gaseous Jets in Confined Cylindrical Geometries (ANL/ALCF/ESP-17/4)
- First-Principles Simulations of Functional Materials for Energy Conversion (ANL/ALCF/ESP-17/5)
- Advanced Electronic Structure Methods for Heterogeneous Catalysis and Separation of Heavy Metals (ANL/ALCF/ESP-17/6)
- Next-Generation Cosmology Simulations with HACC: Conquering the Baryon Problem (ANL/ALCF/ESP-17/7)
- Extreme Scale Unstructured Adaptive CFD: From Multiphase Flow to Aerodynamic Flow Control (ANL/ALCF/ESP-17/8)
- The Hadronic Contribution to the Anomalous Magnetic Moment of the Muon (ANL/ALCF/ESP-17/9)
- Quantum Monte Carlo Calculations in Nuclear Theory(ANL/ALCF/ESP-17/10)
- Free Energy Landscapes of Membrane Transport Proteins(ANL/ALCF/ESP-17/11)
ALCF Theta Early Science Program Presentations at IXPUG 2016
Multiple projects from the ALCF Theta Early Science Program gave presentations at the 2016 IXPUG Annual U.S. Meeting on preparing applications for Theta:
- Williams, "ALCF ;Early Science Program for Xeon Phi Supercomputers"
- Li et al., "MILC Staggered Conjugate Gradient Performance on Intel KNL"
- Boyle et al., "Grid: Structured Cartesian Mesh Library for Quantum Chromodynamics"
- Finkel et al., "HACC on the KNL - Porting, Optimizing, and Early Experiences"
- Joo et al., "Chroma on Knights Landing Three Ways"
Several other talks related indirectly, with ALCF contribution:
- Luo et al., "Optimizations of Bspline-based Orbital Evaluations in Quantum Monte Carlo on Multi/Many-core Shared Memory Processors"
- DiStasio et al., "Enabling Large-Scale Hybrid Density Functional Theory Based Ab Initio Molecular Dynamics in Condensed-Phase Systems"
- Alexeev et al., "Efficient MPI/OpenMP Parallelization of the Hartree-Fock Method on Intel® Xeon Phi Processors"
- Finkel, "LLVM and Clang on the KNL"
- Rizzi et al., "Visualization with vl3. Now on the CPU"