Interview: Advancing Computational Chemistry with NWChem

“The notion of High Performance Computing is evolving over time. So what was deemed a leadership class computer five years ago is a little bit obsolete. We are talking about the evolution not only in the hardware but also in the programming models because there are more and more cores available. Orchestrating the calculations in the way that can effectively take advantage of parallelism takes a lot of thinking and a lot of redesign of the algorithms behind the calculations.”

Video: Development of Intel MIC Codes in NWChem

In this video from the 2014 HPC User Forum in Seattle, Edoardo Apra from the Pacific Northwest National Laboratory presents: Development of Intel MIC Codes in NWChem.