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Supercomputing Drug Discovery to Combat Heart Disease

Using a unique computational approach to rapidly sample proteins in their natural state of gyrating, bobbing, and weaving, a research team from UC San Diego and Monash University in Australia has identified promising drug leads that may selectively combat heart disease, from arrhythmias to cardiac failure.

XSEDE Conference Morphs into PEARC17

The Extreme Science and Engineering Discovery Environment (XSEDE) annual conference is transforming into an independent entity designed to unite the high-performance computing and advanced digital research community. The new Practice & Experience in Advanced Research Computing conference (PEARC) will welcome all who care about using advanced digital services for research. The PEARC17 Conference will take place in New Orleans, Louisiana, July 9-13, 2017.

XSEDE Awards Supercomputer Time to 155 Research Teams

Last week, XSEDE announced it has awarded more than $16M worth of compute resources to 155 research projects. This is the first cohort of allocations awardees after the announcement of a 5-year renewal of XSEDE by the National Science Foundation to expand access to the nation’s cyberinfrastructure ecosystem.

Supercomputing Tornadogenesis

“We’re trying to make high resolution simulations of super cell storms, or tornadoes,” McGovern said. “What we get with the simulations are the fundamental variables of whatever our resolution is — we’ve been doing 100 meter x 100 meter cubes — there’s no way you can get that kind of data without doing simulations. We’re getting the fundamental variables like pressure, temperature and wind, and we’re doing that for a lot of storms, some of which will generate tornadoes and some that won’t. The idea is to do data mining and visualization to figure out what the difference is between the two.”

Bridges Supercomputer to Power Research at North Carolina School of Science and Mathematics

Today XSEDE announced it has awarded 30,000 core-hours of supercomputing time on the Bridges supercomputer to the North Carolina School of Science and Mathematics (NCSSM). Funded with a $9.65M NSF grant, Bridges contains a large number of research-grade software packages for science and engineering, including codes for computational chemistry, computational biology, and computational physics, along with specialty codes such as computational fluid dynamics. “NCSSM research students often pursue interdisciplinary research projects that involve computational and/or laboratory work in chemistry, physics, and other fields,” said Jon Bennett, instructor of physics and faculty mentor for physics research. “The availability of supercomputer computational resources would greatly expand the range and depth of projects that are possible for these students.”

Radio Free Looks at Exascale Application Challenges in the Wake of XSEDE 2.0 Funding

In this podcast, the Radio Free HPC team discusses the recent news that Intel has sold its controlling stake in McAfee and that NSF has funded the next generation of XSEDE.

NSF Awards $110 Million for XSEDE 2.0

Today, the National Science Foundation (NSF) announced a $110 million award to the University of Illinois at Urbana-Champaign and 18 partner institutions to continue and expand activities undertaken through the Extreme Science and Engineering Discovery Environment (XSEDE).

Podcast: Supercomputing Better Soybeans

In this TACC Podcast, Researchers describe how XSEDE supercomputing resources are helping them grow a better soybean through the SoyKB project based from the University of Missouri-Columbia. “The way resequencing is conducted is to chop the genome in many small pieces and see the many, many combinations of small pieces,” said Xu. “The data are huge, millions of fragments mapped to a reference. That’s actually a very time consuming process. Resequencing data analysis takes most of our computing time on XSEDE.”

International HPC Summer School Prepares Next Generation

XSEDE reports that this year’s International Summer School on HPC Challenges in Computational Sciences was a rousing success. “This program is an excellent mix of high performance computing knowledge and meeting international people involved in the field. There are a lot of training programs in the USA, but very few of them combine it with interaction of international colleagues and immersion in another culture.”

Register Now for HPC Workflow Workshops

Registration is now open for a free Workflows Workshop to be held August 9-10 at multiple institutions across the country. Sponsored by the Blue Waters sustained-petascale computing project, this workshop will provide an overview of workflows and how they can enhance research productivity.