ECP Applications
NWChemEx: Tackling Chemical, Materials and Biomolecular Challenges
The NWChemEx project will enhance the popular Pacific Northwest National Laboratory (PNNL)-developed computational chemistry code, NWChem, to dramatically improve its scalability, performance, extensibility, and portability in order to take full advantage of future exascale computing technologies. PNNL/ Northwest Institute for Advanced Computing (NIAC) is leading this project with Ames, Argonne, Brookhaven, Lawrence Berkeley National Laboratory, and Oak Ridge national laboratories, as well as Virginia Tech, University of Washington, and the Environmental Molecular Sciences Laboratory NWChem Software Group.
Cloud-resolving Climate Modeling of the Earth’s Water Cycle
Developing a quality Earth system model with a fully weather-resolving atmosphere and cloud-resolving multiscale modeling framework (MMF) that can run thousands of simulated years and adhere to strict throughput requirements necessary for scientifically valid studies of the Earth’s systems requires a tremendous increase in computational power, achievable only via exascale. Sandia leads the project with national laboratory contributions from Argonne, Los Alamos, Livermore, Oak Ridge, and PNNL, as well as the University of California, Irvine and Colorado State.
Optimizing Stochastic Grid Dynamics at Exascale
One critical national security challenge is maintaining the integrity of national power grids under adverse conditions imposed by natural or human-made causes. The ExaSGD project is developing algorithms and techniques to address new challenges and optimize the grid’s response to many potential disruption events under different weather scenarios. Those disruption events are caused by the need for more renewable power sources on the grid, such as solar and wind power. Without other renewable power sources, the results will be a more uncertain power supply, making disruptions even more difficult to manage.
Design Space Exploration for ECP Technologies at PNNL
Developing tools and methodologies to enable quantitative predications of ECP workload performance on next-generation Exascale graphics processing units-accelerated systems.