Dear Colleagues,

Welcome to the Workshop on High Performance Computingfor Industry. This is our third gathering, meeting initially inJanuary, 2008 at the New York Academy of Sciences in what proved to be the formative event for creating the High Performance ComputingConsortium 2 (http://hpc2.org/) and againthe following October at Rensselaer—drillingdown on scientific and policy issues related toresearch enabled by high end computing. The long timeinterval in between has been one of hard work, applying the ideas developed in those two meetings to make advancedcomputing resources available to a broader group of researchers. We meet this time to assess accomplishments and refine the path forward.

This workshop focuses on industry, one aspect of the broader and more fundamental theme of our joint efforts: how do we as a community, academe, industry,and government, jointly tackle huge problems like: carbon load, climate change, biologicalscience and health care, financial modeling, and developing the technologies needed to attacksuch problems. The world faces challenges bigger than any discipline, institution, or sector, and requires collaborative fundamental research.

This conference is a continuation of the discussion, and we welcome you and thank you for your contributions.

Sincerely,The HPC2 Consortium: Rensselaer, Brookhaven, Stony Brook, Buffalo, NYSERNet

This conference could not be madepossible without the support of IBM

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X-ray Crystallography structure analysis Dr. Herbert Hauptman and the Hauptman-Woodward Medical Research Institute

PROVIDING COMPETITIVE ADVANTAGE TO INDUSTRY THROUGH HIGH PERFORMANCE COMPUTING:Accomplishments and a Path Forward

October 26-28, 2011Rensselaer Polytechnic Institute • Troy, New York

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WEDNESDAY

5——4

12:00 p.m. – 12:45 p.m. – Lunch, Russell Sage Dining Hall (RSDH)

12:45 p.m. – 1:00 p.m. – Registration, Center for Biotechnology and Interdisciplinary Studies (CBIS)

1:00 p.m. – 1:10 p.m. – Welcome to the WorkshopJohn E. Kolb, Vice President for Information Services & Technology and CIO, Rensselaer Polytechnic Institute

Introduction to Technical Sessions: Mark Shephard, Johnson Professor of Engineering and Director of the Scientific Computation Research Center, Rensselaer Polytechnic InstituteConference Location: Center for Biotechnology and Interdisciplinary Studies (CBIS)

1:10 p.m. – 3:00 p.m. – Getting the Early Applications GoingSession Chair: Tom Furlani, University of BuffaloConference Location: Center for Biotechnology and Interdisciplinary Studies (CBIS)

Presentation 1: Bringing Parallel Adaptive Simulation to IndustryCameron Smith, Computational Scientist, Rensselaer Polytechnic InstituteMark Shephard, Johnson Professor of Engineering and Director of the Scientific Computation Research Center,Rensselaer Polytechnic Institute

Presentation 2: HPC Software-as-a-ServiceAlisa Neeman, Scientific Programmer, University of Buffalo – HPC2 Portal

Presentation 3: New Scales of InnovationRay Bair, Chief Computational Scientist for Applications, Argonne National Laboratory

Presentation 4: Industry Collaboration in VisualizationMartins Innus, Lead Scientific and Urban Visualization Specialist and Matt Jones, Associate Director, University of Buffalo

Presentation 5: Industrial Engagement in the “New Normal”Richard Moore, Deputy Director, USCD, San Diego Supercomputer Center

3:00 p.m. – 3:30 p.m. – BREAK, Center for Biotechnology and Interdisciplinary Studies (CBIS)

TECHNICAL SESSION • 10-26-11

WEDNESDAY 3:30 p.m. – 5:10 p.m. – Future of Industrial Access to High Performance Computing SystemsSession Chair: Tim Lance, NYSERNetCenter for Biotechnology and Interdisciplinary Studies (CBIS)

Presentation 1: Delivering Competitiveness with High Performance ComputingJim Myers, Director, Computational Center for Nanotechnology Innovations, Rensselaer Polytechnic Institute

Presentation 2: Driving Discovery and Competitiveness Through Next-Generation High Performance ComputingThom H. Dunning, Jr., Director, National Center for Supercomputing Applications, University of Illinois at Urbana-Champaign

Presentation 3: How to Make HPC More AccessibleKirk Jordan, Emerging Solutions Executive and Associate Program Director, Computational Science Center, IBM’s T.J. Watson Research Center

Presentation 4: Opening Frontiers: Extreme Capability Computing at LLNLFred Streitz, Institute for Scientific Computing Research, Lawrence Livermore National Laboratory

6:00 p.m. – 9:00 p.m. – Dinner, Russell Sage Dining Hall (RSDH)

INTRODUCTION: Reinhold Mann, Brookhaven National LaboratoryOpportunities and Challenges Posed by Exascale Computing; ORNL’s Plans and PerspectiveDr. Jeffrey Nichols, Associate Laboratory Director, Computing and Computational Sciences, Oak Ridge National Laboratory

This conference could not be made possible without the support of NYSTAR

THURSDAY

7——6

10:50 a.m. – 12:30 p.m. – Industry/University/Laboratory/Government Collaborations Session Chair: Michael McGuigan, Acting Director, Computational Science Center, Brookhaven National Laboratory Conference Location: Center for Biotechnology and Interdisciplinary Studies (CBIS)

Presentation 1: CASL: The Consortium for Advanced Simulation of Light Water ReactorsDoug Kothe, CASL Director, Oak Ridge National Laboratory

Presentation 2: Leveraging NYS Assets to Improve Industrial and Academic Competitiveness Ed Reinfurt, Director, Division of Science, Technology and Innovation, Empire State Development Corporation

Presentation 3: Computational Rheology for Cement and ConcreteWilliam L. George, Computer Scientist, National Institute of Standards and Technology

Presentation 4: Leveraging ASCR Investments in Software Tools through SBIR/STTR to Engage the Broader Industrial Computational CommunityBenjamin T. Grover, Program Manager, Office of Advanced Scientific Computing Research, U.S. Department of Energy

Presentation 5: A trend we can’t afford to miss Michael Gleaves, Project Manager, and Rik Anderson, Science and Technology Facilities Council, Daresbury Laboratory

12:30 p.m. – 1:30 p.m. – LUNCH, Russell Sage Dining Hall (RSDH)

INTRODUCTION: Michael Henesey, IBMHigh Performance Computing in the Exascale EraJames C. Sexton, Program Director for the Computational Center, IBM’s T. J. Watson Research Center

1:30 p.m. – 3:30 p.m. – Where Does the Software Come From? Panel Moderator: Kirk Jordan, IBMConference Location: Center for Biotechnology and Interdisciplinary Studies (CBIS)

Panelist 1: AcuSolve – A Finite Element-Based CFD Solver for HPC ApplicationsDave Corson, AcuSolve Program Manager, Altair Engineering, Inc.

Panelist 2: Optimizing Engineering Simulation Software for HPCBarbara Hutchings, Director, Strategic Partnerships, ANSYS

Panelist 3: CD-adapco's HPC Multi-Physics Applications for EngineeringSteve Feldman, Vice President Pre/Post Development, CD-adapco

TECHNICAL SESSION • 10-27-11

7:30 a.m. – 8:00 a.m. – Breakfast , Russell Sage Dining Hall (RSDH)

8:00 a.m. – 10:30 a.m. – Highlight Examples of Industry use of HPCSession Chair: Jim Myers, Rensselaer Polytechnic Institute, Conference Location: Center for Biotechnology and Interdisciplinary Studies (CBIS)

Presentation 1: Complex Suspension Rheology using High Performance ComputingDavid R. Heine and Athonu Chatterjee, Senior Research Scientists, Corning Inc.

Presentation 2: Massively Parallel CFD for Complex Flows Using Anisotropic Adaptive GridsKen Jansen, Professor, University of Colorado at Boulder and Onkar Sahni, Assistant Professor, Rensselaer Polytechnic Institute

Presentation 3: Smart Grid Analysis using High Performance Architectures and AlgorithmsMichael McGuigan, Acting Director, Brookhaven National Laboratory

Presentation 4: Large-Scale Static Timing Analysis in Support of Next Generation Computer DesignChristopher Carothers, Professor, Rensselaer Polytechnic Institute

Presentation 5: Modeling the Effect of Microstructure on the Performance of Metal AlloysAntoinette Maniatty, Professor, Rensselaer Polytechnic Institute

Presentation 6: HPC Challenges in Next Generation SequencingEfstratios Efstathiadis, Technical Director, New York University Langone Medical Center

Presentation 7: Combustion and Chemical Processing in Turbulent FlowsJames Glimm, Department Chair, SUNY at Stony Brook

10:30 a.m. – 10:50 a.m. – BREAK , Center for Biotechnology and Interdisciplinary Studies (CBIS)

THURSDAY

NYSERNet

9——8

1:30 p.m. – 3:30 p.m. – session continued– Where Does the Software Come From? Panelist 4: Software Components for High Performance ComputingMark Beall, President, Simmetrix, Inc.

Panelist 5: Accelerating Commercial Linear Dynamic and Nonlinear Implict FEA Software through High Performance ComputingVladimir Belsky, Director, Solver Development, Simulia Implicit Analysis

Panelist 6: HPC as Key Enabler for PowerFLOWJamie Hoch, Vice President of Software Development, Exa Corp.

3:30 p.m. – 4:00 p.m. – BREAK , Center for Biotechnology and Interdisciplinary Studies (CBIS)

4:00 p.m. – 5:15 p.m. – Making the Business Case for Industrial use of HPCSession Chair: Mark Shephard, Johnson Professor of Engineering and Director of the Scientific Computation ResearchCenter, Rensselaer Polytechnic Institute,Conference Location: Center for Biotechnology and Interdisciplinary Studies (CBIS)

Presentation 1: HPC at HeartFlow, Inc. – Patient-specific Computational Fluid Dynamics for Noninvasive Assessment of Heart DiseaseCharley Taylor, Founder, Chief Technology Officer, HeartFlow, Inc.

Presentation 2: High Performance Computing for Integrated Circuit DesignSaroj Nayak, Professor, Rensselaer Polytechnic Institute and Rasit Topaloglu, Senior Technology and Integration Engineer, Global Foundries

TECHNICAL SESSION • 10-27-11

Presentation 3: High Performance Computing for Industrial Scale Advanced AnalyticsBruce Church, Vice President, Analytics, Gene Network Sciences, Inc.

Presentation 4: The Role of CFD in the Development of an Air Purification DeviceJohn Lordi, Chief Executive Officer, Buffalo Bio Blower, Inc.

6:00 p.m. – 9:00 p.m. – Dinner, Russell Sage Dining Hall (RSDH)

INTRODUCTION: Fran Berman, Rensselaer Polytechnic InstituteFrom Molecules to Moviemaking: Adventures of a Chemical & Biological EngineerDr. Shekhar Garde, Professor and Department Head, Rensselaer Polytechnic Institute Screening: Molecularium clips

CBIS Center for Biotechnology and Interdisciplinary Studies

Free Parking-Staff Parking Garage

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RPI Campus Map & HPC2 Conference Locations

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SPONSORS

13——12

Planning Committee Members

Fran BermanVP for Research and Professor of Computer Science, Rensselaer Polytechnic Institute

Thomas FurlaniDirector, Center for Computational Research and Interim Associate VP for Information Technology

University at Buffalo

Matthew JonesAssociate Director, Center for Computational Research, University at Buffalo

Kirk JordanEmerging Solutions Executive, Computational Science Center, IBM’s T.J. Watson Research Center

Michael HeneseyVP Business Development, IBM Corporate Headquarters

John E. Kolb, ChairVP for Information Services and Technology and CIO, Rensselaer Polytechnic Institute

Timothy LancePresident and CEO, NYSERNet, Inc.

Reinhold MannAssociate Laboratory Director, Brookhaven National Laboratory

Michael McGuiganActing Director, Computational Science Center, Brookhaven National Laboratory

James MyersDirector, Computational Center for Nanotechnology Innovations, Rensselaer Polytechnic Institute

Michael RidleyDirector, NYS HPC Program, Empire State Development Corporation

Mark ShephardJohnson Professor of Engineering and Director of the Scientific Computation Research Center

Rensselaer Polytechnic Institute

• Brookhaven National Laboratory

• Empire State DevelopmentCorporation

• IBM

• New York State High Performance Computing

Consortium 2 (HPC2)

• NYSERNet

• Rensselaer Polytechnic Institute

• Stony Brook University

• U. S. Army — Army Research Office

• University at Buffalo

Fire Plume Modeling, P. E. DesJardins, University at Buffalo

15——14

Rensselaer Poytechnic Institute • Troy, NY

Brookhaven National Laboratory • Upton, NY

University at Buffalo • Buffalo, NY

Stony Brook University • Stony Brook, NY

NYSERNet, Inc. • Syracuse, NY

HPC2 Improved Simulation Through Collaboration

picture credit: Cytochrome P450 binding,M. Freindorf, J. Kong, T. Furlani, University at Buffalo