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Interview: Advancing Computational Chemistry with NWChem

Karol Kowalski, Capability Lead for NWChem Development at PNNL

“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.”

Slidecast: MPI-3 Is Here – Optimize and Perform with Intel MPI Tools


In this video, Gergana Slavova from Intel looks at how Intel MPI Tools can speed your codes on HPC Clusters.

Tiny Titan Supercomputer Headed for Schools


In this video, students get hands-on experience with a scaled-down version of the Titan supercomputer. Constructed at Oak Ridge National Laboratory, Tiny Titan is a nine-node scale-model of Titan designed to make it easier for students to understand how a supercomputer works.

With Innovative Cooling, New HP Apollo Systems are Tailor-Made for HPC


This week HP rolled out a new lineup of density-optimized servers with innovative cooling technology. Tailor-made for the HPC market, the Apollo Series combines a modular design with innovative power distribution and air- and liquid-cooling techniques for extreme performance at rack scale, providing up to four times more performance per square foot than standard rack servers.

Intel Parallel Compute Centers Step Up to Catalyze Code Modernization


Over at Scientific Computing, Doug Black writes that a new RFP for Intel Parallel Computing Centers is building momentum for code modernization.

Video: Energy Secretary Moniz on the Impact of Supercomputing


In this video from the recent Senate Appropriations Committee hearing on Federal Investment in Innovation, Energy Secretary Ernest Moniz testifies on the importance of supercomputing and research at the National Labs. “I only brought one prop,” Energy Secretary Ernest Moniz said as he pointed to a model of an artificial hand, generated by a 3D printer, that held an object resembling a baseball. “Its mesh construction is an amazing technology.”

Video: Tuning and Measuring Performance on Lustre


In this video from the Rice Oil & Gas Workshop, John Fragalla from Xyratex presents: Tuning and Measuring Performance on Lustre. As an HPC Principal Architect, John Fragalla brings global expertise to Xyratex. He is a leader on many strategic and complex customer engagements worldwide, and provides technical advisement on future product development and direction within Xyratex and the industry to design storage solutions that meets customer requirements.

GTC Keynotes to Livestream This Week on insideHPC


We are pleased to announce that insideHPC will be streaming live keynotes this week from the GPU Technology Conference in San Jose. You can look forward to the latest on GPU-powered science and state-of-the-art visualization.

Fostering Innovation with Intel Parallel Computing Centers


Intel Parallel Computing Centers are focusing on modernizing applications to increase parallelism and scalability. By enabling the advancement of parallelism, the Intel Parallel Computing Centers will accelerate discovery in the fields of energy, finance, manufacturing, life sciences, weather, and beyond.

Thursday Livestream: GPU Technology Theater from SC13


All this week, insideHPC will be streaming live presentations from the Nvidia GPU Technology Theater at SC13.