Oak Ridge Leadership Computing Facility Annual Report 2016–2017 1 Outreach manager – Katie Bethea Writers – Eric Gedenk, Jonathan Hines, Katie Jones, and Rachel Harken Designer – Jason Smith Editor – Wendy Hames Photography – Jason Richards and Carlos Jones Stock images – iStockphoto™ Oak Ridge Leadership Computing Facility Oak Ridge National Laboratory P.O. Box 2008, Oak Ridge, TN 37831-6161 Phone: 865-241-6536 Email:
[email protected] Website: https://www.olcf.ornl.gov Facebook: https://www.facebook.com/oakridgeleadershipcomputingfacility Twitter: @OLCFGOV The research detailed in this publication made use of the Oak Ridge Leadership Computing Facility, a US Department of Energy Office of Science User Facility located at DOE’s Oak Ridge National Laboratory. The 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. 2 Contents LETTER In a Record 25th Year, We Celebrate the Past and Look to the Future 4 SCIENCE Streamlining Accelerated Computing for Industry 6 A Seismic Mapping Milestone 8 The Shape of Melting in Two Dimensions 10 A Supercomputing First for Predicting Magnetism in Real Nanoparticles 12 Researchers Flip Script for Lithium-Ion Electrolytes to Simulate Better Batteries 14 A Real CAM-Do Attitude 16 FEATURES Big Data Emphasis and New Partnerships Highlight the Path to Summit 18 OLCF Celebrates 25 Years of HPC Leadership 24 PEOPLE & PROGRAMS Groups within the OLCF 28 OLCF User Group and Executive Board 30 INCITE, ALCC, DD 31 SYSTEMS & SUPPORT Resource Overview 32 User Experience 34 Education, Outreach, and Training 35 ‘TitanWeek’ Recognizes Contributions of Nation’s Premier Supercomputer 36 Selected Publications 38 Acronyms 41 3 In a Record 25th Year, We Celebrate the Past and Look to the Future installed at the turn of the new millennium—to the founding of the Center for Computational Sciences at the US Department of Energy’s Oak Ridge National Laboratory.