Podcast: Rewriting NWChem for Exascale

Rich Brueckner

from High-Performance Computing News Analysis | insideHPC on 2020-02-04 15:48 (#4YWRB)

In this Let's Talk Exascale podcast, researchers from the NWChemEx project team describe how they are readying the popular code for Exascale. The NWChemEx team's most significant success so far has been to scale coupled-cluster calculations to a much larger number of processors. "In NWChem we had the global arrays as a toolkit to be able to build parallel applications."

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