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High Performance Computing Research

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  1. High Performance Computing Research Juan Meza Department Head High Performance Computing Research

  2. Computational Research in Balance with NERSC Center • A organizational balance between production facility and research activities is essential for the success of both • the NERSC Center benefits directly from the DOE funded computer science research project • the requirements of the NERSC Center stimulate computer science research and keep it closely relevant to the DOE mission

  3. National Energy Research Scientific Computing (NERSC)Division ADVANCED SYSTEMS TAMMY WELCOME DIVISION DIRECTOR HORST SIMON DIVISION DEPUTY DIRECTOR WILLIAM KRAMER DIVISION ADMINISTRATOR & FINANCIAL MANAGER WILLIAM FORTNEY CHIEF TECHNOLOGIST DAVID BAILEY HIGH PERFORMANCE COMPUTING DEPARTMENT WILLIAM KRAMER Department Head HIGH PERFORMANCE COMPUTING RESEARCH DEPARTMENT Juan Meza Department Head DISTRIBUTED SYSTEMS DEPARTMENT WILLIAM JOHNSTON Department Head DEB AGARWAL, Deputy MASS STORAGE NANCY MEYER APPLIED NUMERICAL ALGORITHMS PHIL COLELLA IMAGING & COLLABORATIVE COMPUTING BAHRAM PARVIN COLLABORATORIES DEB AGARWAL NETWORKING WILLIAM JOHNSTON (acting) NETWORKING & SECURITY HOWARD WALTER CENTER FOR BIOINFORMATICS & COMP. GENOMICS MANFRED ZORN SCIENTIFIC COMPUTING ESMOND NG DATA INTENSIVE DIST. COMPUTING BRIAN TIERNEY COMPUTATIONAL SYSTEMS JIM CRAW COMPUTER OPERATIONS NETWORKING SUPPORT WILLIAM HARRIS USER SERVICES FRANCESCA VERDIER CENTER COMPUTATIONAL SCIENCE & ENGR. JOHN BELL SCIENTIFIC DATA MANAGEMENT ARIE SHOSHANI DISTRIBUTED SECURITY RESEARCH MARY THOMPSON HENP COMPUTING DAVID QUARRIE FUTURE TECHNOLOGIES BRENT GORDA GRID TECHNOLOGIES KEITH JACKSON VISUALIZATION WES BETHEL Rev: 02.15.02

  4. Future Technology Group • Mission is to investigate, understand and recommend technologies of importance to the NERSC center and its user base in the 3-5 year timeframe • Checkpoint/Restart to enable production computing for Linux • Target OS is Linux; User or system administrator initiated • Specifically aimed at parallel MPI jobs • Part of Scalable Systems Software SciDAC project • Infiniband Study • IB is the next “big thing” in system area networking • Switched fabric, O/S bypass, one-sided messaging, self healing • IPv6 addressing

  5. Big Data and Remote Visualization: Visapult • Motivation: remote and interactive visualization of large scientific data over a wide area network. • Framework and application for remote direct volume visualization of large structured mesh data. • Visapult winner of SC2001 Bandwidth Challenge Source Volume

  6. Scientific Computing Group • Computational materials science • electronic structure calculations, molecular dynamics • Environmental and earth sciences • climate modeling, groundwater flow simulation, modeling of the earth • Computational Physics • cosmic microwave background radiation, high-energy neutrino detection, accelerator modeling • Numerical linear algebra • eigen/singular value computations, sparse matrix computations • extended precision basic linear algebra subprograms • environments and tools

  7. Advanced Computational Testing and Simulation (ACTS) • Make ACTS tools available on NERSC platforms • Enable large scale scientific applications • Extended support for experimental software • Perform independent evaluation of tools • Provide consistent application interfaces • Coordinate efforts with other supercomputing centers • Educate and train • Provide technical support (acts-support@nersc.gov) • Maintain ACTS information center (http://acts.nersc.gov)

  8. Use of ACTS Tools Scattering in a quantum system of three charged particles (Rescigno, Baertschy, Isaacs and McCurdy, Dec. 24, 1999), SuperLU. Cosmic Microwave Background Analysis, BOOMERanG collaboration, MADCAP code (Apr. 27, 2000), ScaLAPACK.

  9. Vision • Listening mode • Some observations (after 2 months) • Clear that NERSC is doing world class research • Leaders in the application of modeling and simulation to science • Good balance of applications, computer science, and algorithms that benefits the entire community • Challenges • Delivery on SciDAC goals • Earth Simulator response: advanced architecture research • Maintaining a balance that will successful track record