FFTX is the exascale follow-on to the FFTW open-source discrete Fast Fourier Transform (FFT) package for executing the FFT as well as higher-level operations composed of linear operations combined with discrete Fourier transforms. It was developed as a cooperative effort between Lawrence Berkeley National Laboratory, Carnegie Mellon University, and SpiralGen, Inc.
Rewriting a Legacy Computational Chemistry Software Package for Larger Simulations and Exascale Speed
The NWChem computational chemistry software package was designed more than 20 years ago to run parallel computational chemistry simulations on thousands of processors. But new technologies, including GPUs and the innovations that exascale computing is expected to bring, call for an overhaul of the software.
NERSC, ECP Host OpenMP Hackathon for Energy-Efficient Architectures
The OpenMP 5.0 specification released in November 2018 added many new features that will be useful for highly parallel and complex applications. To enhance user adoption of these new features and support application portability across Department of Energy computing centers and other HPC facilities, NERSC and the Exascale Computing Project’s SOLLVE and ECP Training programs joined forces to sponsor a four-day OpenMP hackathon at Berkeley Lab, August 27-30, 2019.