Supercomputing Structures of Intrinsically Disordered Proteins

Researchers using the Titan supercomputer at ORNL have created the most accurate 3D model yet of an intrinsically disordered protein, revealing the ensemble of its atomic-level structures. The combination of neutron scattering experiments and simulation is very powerful,” Petridis said. “Validation of the simulations by comparison to neutron scattering experiments is essential to have confidence in the simulation results. The validated simulations can then provide detailed information that is not directly obtained by experiments.”

NERSC Unveils Mural for pending Perlmutter Supercomputer

NERSC has unveiled the mural that will grace the cabinets of the Perlmutter supercomputer that will be installed at Berkeley Lab in 2020. “The mural pays tribute to the system’s namesake, Nobel Laureate Saul Perlmutter. The Berkeley Lab physicist led the team whose work at NERSC contributed to the Nobel prize-winning insight that the universe’s expansion is speeding up. The resulting efforts to explain this acceleration led to today’s model of a universe dominated by dark energy and dark matter.”

First Annual Exascale Day on 10/18 to Celebrate Supercomputing Discoveries

“Exascale Day celebrates the scientists and researchers who make breakthrough discoveries with the help of some of the fastest supercomputers in the world. Exascale Day celebrates those who keep asking what if, why not, and what’s next — with the advanced technology to attain the answers. The founding organizations have established National Exascale Day as a registered holiday to be celebrated annually on October 18 (1018).”

Study finds On-Premise Systems Critical to Enterprise AI

Today Cray released the findings of its industry report on the State of Enterprise AI Adoption 2019, which reveals that performance, data locality and security are the top considerations for choosing an AI infrastructure. “The survey assessed whether organizations and individuals are prepared to run AI effectively and to take advantage of the capabilities it offers.”

HPE Completes Acquisition of Cray

Today HPE today announced it has completed the acquisition of supercomputing leader Cray Inc., earlier than the original target date. “Cray and HPE have a shared vision for the new exascale era, and by joining forces, we’re offering the promise of Cray’s technology to an expanded market with the opportunity to leverage HPE’s breadth, scale and innovation to bring supercomputing to the enterprise.”

A New World of Simulation for Oil & Gas

In this special guest feature from Scientific Computing World, Gemma Church writes that the Oil and Gas market aims to use more simulation to ensure sound decision making s the world makes better use of renewable energy. “Oil and gas companies are increasingly relying on digital technology to improve their operational efficiency, reduce manpower through automation and developing autonomous systems for drilling, offshore platforms and increasing use of remotely operated systems and equipment for inspection.”

Podcast: The Dos and Don’ts of RFP Benchmarks

In this podcast, reviews a presentation on Benchmarks in HPC Procurement Tenders by Tricia Balle of Cray. She gave the talk at the recent Perth HPC Conference. “We discuss how benchmarks should and shouldn’t be used in RFPs, and the relevant best practices; important stuff whether you are on the customer side or the vendor side.”

Computational Evaluation of Cloud HPC with a Global Atmospheric Model

Daniel Arevalo from DeVine Consulting gave this talk at the HPC User Forum. “Prompted by DoD priorities for modernization, cost savings, and redundancy, this project compared the performance of the NAVGEM on an in-house Cray system against the follow cloud offerings: AWS c4.8xlarge, Penguin B30 queue, Azure H16r, and AWS c5n.18xlarge.”

Video: The Cray Shasta Architecture

In this video from the HPC User Forum at Argonne, Steve Scott from Cray presents: The Cray Shasta Architecture. The DOE has selected the Shasta architecture to power all three of their planned Exascale systems coming to Argonne, ORNL, and LLNL. “Shasta allows for multiple processor and accelerator architectures and a choice of system interconnect technologies, including our new Cray-designed and developed interconnect we call Slingshot.”

Chapel Comes of Age: a Language for Productivity, Parallelism, and Performance

Brad Chamberlain from Cray gave this talk at the HPCKP’19 conference. “Though Chapel has been under development for some time now, its performance and feature  set have only recently reached the point where it can seriously be considered by users with HPC-scale scientific, data analytic, and artificial intelligence workloads. In this talk, I will introduce Chapel for those who are new to the language, and cover recent advances, milestones, and performance results for those who are already familiar with it.”