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National Center for Computational Sciences
Upgraded Jaguar's T2O Features Select Pioneering Applications
Six selected "pioneering" applications have been performing science-at-scale simulations at the National Center for Computational Sciences (NCCS) after this spring's upgrade of Jaguar, the Center's Cray XT4 supercomputer. With the upgrade to 263 trillion calculations a second, or teraflops, Jaguar will be increasing yet again its contribution to the Department of Energy's (DOE) Innovative and Novel Computational Impact on Theory and Experiment (INCITE) program, which facilitates some of the world's most challenging computer simulations. The running of these applications is part of a "transition to operations" activity, dubbed T2O, which gives each of these pioneering applications up to 4.5 million hours for the first data-production runs to applications that could concurrently use the majority of Jaguar's 31,000 processing cores.
As the nation's leadership computing facility (LCF) for open scientific research, the NCCS is responsible for selecting, procuring, deploying, and operating LCF systems for the DOE. When a commissioned LCF system has passed a formal acceptance test, it immediately enters the transition to operations phase. Upon exiting the T2O phase, the LCF system is available to all users who have received INCITE allocations of supercomputing resources.
Among the first researchers putting Jaguar to the test was Jacqueline Chen of Sandia National Laboratories, who ran an application called S3D that simulated key underlying processes in combustion. Her simulations of ethylene, a hydrocarbon fuel, required 4.5 million hours running on 30,000 processors and generated more than 50 terabytes of data—more than five times as much data as contained in the printed contents of the U.S. Library of Congress.
Other researchers with pioneering runs that put Jaguar through its paces were Anthony Mezzacappa, Oak Ridge National Laboratory (ORNL; core-collapse supernovas); Bill Tang, Princeton Plasma Physics Laboratory (fusion plasmas); Thomas Schulthess, ORNL (Mott insulators, cuprate superconductors, and nanoscale systems); Robert Harrison, ORNL (chemical catalysts); and Synte Peacock, University of Chicago (turbulent transport in the global ocean). The codes they ran were, respectively, Chimera, GTC, DCA++, MADNESS, and POP.