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InTheLoop 01.14.2013

The Weekly Newsletter of Berkeley Lab Computing Sciences

January 14, 2013

CRD Researchers Receive 2013 INCITE Allocations

Two researchers from the Computational Research Division are principal investigators and four are co-investigators on projects receiving large allocations of computer time in 2013 under DOE’s Innovative and Novel Computational Impact on Theory and Experiment (INCITE) program. This year some 4.7 billion processing hours were awarded to 61 science and engineering projects with a high potential to accelerate innovation and discovery on some of the Department of Energy’s newest and most powerful supercomputers.

Leonid Oliker is the PI for “Performance Evaluation and Analysis Consortium (PEAC) End Station,” which was awarded 85 million core hours at the Argonne Leadership Computing Facility (ALCF). Co-investigators include David Bailey, James Demmel, and Kathy Yelick of Berkeley Lab, plus 15 others. This is the largest INCITE allocation for computer science in 2013. The project aims to provide tools, runtimes, and methodologies to enable scientists to exploit leadership class systems and to make use of each system most efficiently.

Michael Wehner received an allocation of 150 million core hours at ALCF for his project, “Attributing Changes in the Risk of Extreme Weather and Climate,” which will use a very high-resolution version of the Community Atmospheric Model (CAM5.1) to emulate the “world that actually was” and “the world that might have been” had human activities not interfered with the climate system. The goal is to enable a significant leap forward in climate science’s ability to understand causes of changes in the risk of localized extreme events, including severe weather and hurricanes.

John Bell is one of three co-investigators on a project led by Stan Woosley of UC Santa Cruz, “Petascale Simulations of Type Ia Supernovae,” which was awarded 55 million core hours at the Oak Ridge Leadership Computing Facility. This project proposes an “end to end,” first principles simulation of a Type Ia supernova using three codes that have been developed for this purpose with support from the DOE’s SciDAC Program.

For a full list of 2013 INCITE awardees with project descriptions, go here.
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NERSC-8 Procurement: A Stepping Stone to Exascale

HPCwire has posted an article about the NERSC-8 supercomputer procurement process, which began in December, and the “middle path” strategy behind it. According to Kathy Yelick, Associate Laboratory Director for Computing Sciences, attending to the needs of hundreds of applications and thousands of users requires a different approach than that taken by centers with a more specialized user base. Read more.
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Leonid Oliker Named Associate Editor of Computing Journal

Leonid Oliker, a member of the Future Technologies Group in CRD, has been named an associate editor of the Journal of Parallel and Distributed Computing, published by Elsevier. This international journal is directed to researchers, engineers, educators, managers, programmers, and users of computers who have particular interests in parallel processing and/or distributed computing.
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This Week’s Computing Sciences Seminars

Grid Computing at St. Jude Children's Hospital
Monday, January 14, 10:00–11:00 am, OSF 943-236
David Coss, St. Jude Children’s Research Hospital

LCLS X-Ray Science and Data-Centric Computing
Tuesday, January 15, 12:00–1:30 pm, OSF 943-238
Nick Sauter, LBNL Physical Bioscience Division

Nick will give a brownbag talk on recent work with LCLS X-ray science related to data-centric computing, development of novel software for data science, and directions toward NGLS. Nick’s group has been instrumental in recent coherent X-ray discoveries and the data challenges that are mounting in the light source world.

The Computational Crystallography Initiative came into being in late 1999 when Paul Adams moved to Berkeley Lab from Yale University. The goal of the group has been to develop new computational algorithms and tools for structural biology, in particular crystallography. This has lead to the Phenix software for automated macromolecular crystallography, new tools for neutron crystallography, and methods for automated diffraction data analysis. Members of the CCI group are also involved in a number of other research projects spanning a range of topics.

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About Computing Sciences at Berkeley Lab

The Lawrence Berkeley National Laboratory (Berkeley Lab) Computing Sciences organization provides the computing and networking resources and expertise critical to advancing the Department of Energy's research missions: developing new energy sources, improving energy efficiency, developing new materials and increasing our understanding of ourselves, our world and our universe.

ESnet, the Energy Sciences Network, provides the high-bandwidth, reliable connections that link scientists at 40 DOE research sites to each other and to experimental facilities and supercomputing centers around the country. The National Energy Research Scientific Computing Center (NERSC) powers the discoveries of 6,000 scientists at national laboratories and universities, including those at Berkeley Lab's Computational Research Division (CRD). CRD conducts research and development in mathematical modeling and simulation, algorithm design, data storage, management and analysis, computer system architecture and high-performance software implementation. NERSC and ESnet are DOE Office of Science User Facilities.

Lawrence Berkeley National Laboratory addresses the world's most urgent scientific challenges by advancing sustainable energy, protecting human health, creating new materials, and revealing the origin and fate of the universe. Founded in 1931, Berkeley Lab's scientific expertise has been recognized with 13 Nobel prizes. The University of California manages Berkeley Lab for the DOE’s Office of Science.

DOE’s Office of Science is the single largest supporter of basic research in the physical sciences in the United States, and is working to address some of the most pressing challenges of our time. For more information, please visit science.energy.gov.