high-performance computing

Summit Helps Predict Molecular Breakups

A team used the Summit supercomputer to simulate transition metal systems—such as copper bound to molecules of nitrogen, dihydrogen, or water—and correctly predicted the amount of energy required to break apart dozens of molecular systems, paving the way for a greater understanding of these materials.

BP Looks to ORNL, ADIOS to Help Rein in Data

British Petroleum researchers invited ORNL data scientists to give the company’s high-performance computing team a tutorial of the laboratory’s ADIOS I/O middleware. ADIOS has helped researchers achieve scientific breakthroughs by providing a simple, flexible way to describe data in their code that may need to be written, read, or processed outside of the running simulation. ORNL researchers Scott Klasky and Norbert Podhorszki demonstrated how it could help the BP team accelerate their science by helping tackle their large, unique seismic datasets.