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3D FFTs for Electronic Structure Calculations: Mixed Programming Models and Communication Strategies for Many Core Architectures

September 21, 2010

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Andrew Canning, Scientific Computing Group, Lawrence Berkeley National Laboratory

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About NERSC and Berkeley Lab
The National Energy Research Scientific Computing Center (NERSC) is the primary high-performance computing facility for scientific research sponsored by the U.S. Department of Energy's Office of Science. Located at Lawrence Berkeley National Laboratory, the NERSC Center serves more than 4,000 scientists at national laboratories and universities researching a wide range of problems in combustion, climate modeling, fusion energy, materials science, physics, chemistry, computational biology, and other disciplines. Berkeley Lab is a U.S. Department of Energy national laboratory located in Berkeley, California. It conducts unclassified scientific research and is managed by the University of California for the U.S. DOE Office of Science. For more information about computing sciences at Berkeley Lab, please visit www.lbl.gov/cs.