SUNDAY, JULY 11

Conference Registration
Walker Room
foyer

6:00 pm

Conference check-in open
- Participants to obtain conference materials and sign up Birds-of- a-Feather discussion sessions
- Speakers to finalize and submit electronic versions of their presentations
- Session Chairs to conduct briefing session with speakers
- Project discussion opportunities for SciDAC collaborators

Poster Session - Session Chair: Jeff Kuehn

Walker Room

7:00 - 9:00

Computational Sciences Graduate Fellows (CSGF) Poster Session

 

MONDAY, JULY 12
Ballroom (unless otherwise noted)

7:30 - 8:30

WORKING CONTINENTAL BREAKFAST:
- Project discussion opportunities for SciDAC collaborators
- Session Chairs to finalize introductions
- Boardroom and birds-of-a-feather session sign-ups
Ballroom

Opening Session - Chair: Thomas Zacharia, ORNL

8:30 - 9:00

Introduction

SciDAC Update

Michael Strayer
DOE SciDAC Director

9:00 - 9:45

Keynote

Computational Challenges in Science, Energy, and National Security

Undersecretary Steven Koonin

 9:45 - 10:15

BREAK: Discussions continue, refreshments served
Ballroom foyers

Technical Session - Chair: Thomas Zacharia

10:15 - 10:45

Exascale Simulation

Observations on Justifying the Case for Exascale Computing

Alvin Trivelpiece

10:45 - 11:15

Exascale Simulation

A DOE Laboratory Plan for Providing Exascale Applications and Technologies for Critical DOE Mission Needs

Andy White, LANL

Rick Stevens, ANL

11:15 - 11:45

Exascale Simulation

CASL: The Consortium for Advanced Simulation of Light Water Reactors – a DOE Energy Innovation Hub

Doug Kothe, ORNL

11:45 -12:45

WORKING LUNCH: Birds-of-a-Feather roundtable discussions
Broad Street

Technical Session - Chair: Thomas Schulthess, ETH

12:45 - 1:30

Materials

Materials for energy: can high performance computations make a difference?

Eric Schwegler, LLNL

1:30 - 2:00

Materials

The Materials Genome Project: Materials Design with High-Throughput ab-initio Computing

Anubhav Jain, MIT

2:30 - 3:00

Materials

Advancing our understanding of high-temperature superconductors through extreme scale computing

Thomas Maier, ORNL

3:00 - 3:30

 

Break: Discussions continue, refreshments served

Ballroom foyers

 

 

DUAL TRACK

Ballroom

Amphitheater

Technical Session – Chair: Bill Gropp / Kathy Yelick

Technical Session –Chair: Suzy Tichenor

3:30 - 4:15

HPC Performance

John Mellor-Crummey, Rice

A Slice of CScADS

3:30 - 4:15

Industry

Steven Sawyer, Boeing Commercial Airplanes

Regarding the Necessary Developments for Applying Large-Scale Computing to Commercial Aviation

4:15 - 4:45

HPC

Performance

Pat Worley, ORNL

Performance Portability and Optimization for Strong Scaling: Examples from the Community Climate System Model

Pat Worley, Art Mirin, Mariana Vertenstien

4:15 - 4:45

Industry

Michael Henderson, BMI Corporation

The Impact of the XT5 Jaguar Super Computer on Large Truck Aerodynamic Design

4:45 - 5:15

HPC

Performance

Allan Snavely, SDSC

Towards Integrated Power-Balanced Computing

Allan Snavely, SDSC

4:45 - 5:15

Industry

Kelly Anderson, Procter & Gamble

Cleaning up with HPC: Multiscale Simulations of Surface Active Molecules

 

Vendor Session - Chair: Buddy Bland, ORNL

5:15 – 5:45

Break: Discussions continue

Ballroom foyers

5:45 - 6:15

Vendor

Exascale Technology Trends and Resulting End-User Challenges

Alan Gara, IBM

 6:15 - 6:45

Vendor

Exascale Analytics

Eng Lim Goh, SGI

 6:45 - 9:00

Poster Session - Chair: Jeff Kuehn

Walker Room

SciDAC projects  



TUESDAY, JULY 13
~ Ballroom (unless otherwise noted) ~

7:30 - 8:30

WORKING CONTINENTAL BREAKFAST:
- Project discussion opportunities for SciDAC collaborators
- Session Chairs to finalize introductions
- Boardroom and birds-of-a-feather session sign-ups
Ballroom foyers

Technical Session - Chair: Tony Mezzacappa

8:30 – 9:00

Breakthroughs

Large-Scale Simulations of Nuclear Dynamics

Joe Carlson, LANL

 

9:00 - 9:30

Breakthroughs

Hybrid Quantum Simulations of Niomolecules: the Role of Copper in Neurodegenerative Diseases

(J. Bernholc, M. Hodak, W. Lu, F. Rose)

Jerry Bernholc, NCSU

9:30 – 10:00

Breakthroughs

Fully 3D Multiple Beam Dynamics Processes Simulation for the Fermilab Tevatron
(E. Stern, J. Amundson, P. Spentzouris and A. Valishev)

Eric Stern, FNAL

10:00 - 10:30

BREAK: Discussions continue, refreshments served

Ballroom foyers

Technical Session - Chair: Petr Plechac / Lori Diachin

10:30 – 11:15

Applied Math

Adaptive Computational Fluid Dynamics: Petascale and Beyond

(K. Jansen, O. Sahni, A. Ovcharenko, M. Shephard, M. Zhou)

Ken Jansen, RPI

11:15 – 11:45

Applied Math

The Math Behind MADNESS

(G. Beylkin, G. Fann, R. Harrison, J. Hill, J. Jia, M. Mohlenkamp, M. Ou, F. Perez and D. Galindo)

George Fann, ORNL

11:45 – 12:15

Applied Math

Numerical Simulation of Phase Space Advection in Gyrokinetic Models of Fusion Plasmas

(M. R. Dorr, R. H. Cohen, P. Colella, J. A. F. Hittinger, D. F. Martin)

Milo Dorr, LLNL

12:15 – 1:15

WORKING LUNCH: Birds-of-a-Feather roundtable discussions
Broad Street

Technical Session - Chair: Jeff Nichols

1:15 – 2:00

Chemistry

Life in the Fast Lane: scientific software in the exascale era

 

Robert Harrison, ORNL/UTK

2:00 – 2:30

Chemistry

Toward Accurate Ab Initio Calculations on Complex Molecular Processes

(Y. Kholod, M. Lamm, T. Windus)

Mark Gordon, Iowa State

 

2:30 – 3:00

Chemistry

Developing Coarse-Grained Models for the Colecular Simulation of the Self Assembly of Skin Lipids

(K. R. Hadley, C. McCabe)

Clare McCabe, Vanderbilt

3:00 – 3:30

BREAK: Discussions continue, refreshments served
Ballroom foyers

 

 

DUAL TRACK

Ballroom

Amphitheater

Technical Session – Chair: Bill Gropp / Kathy Yelick

Technical Session – Chair: Stephane Ethier

3:30 – 4:15

Computer Science

Jeff Hollingsworth, U Maryland

Recent Results in Auto-Tuning and Performance Tools

3:30 - 4:15

Fusion Energy

Weixing Wang, PPPL

Non-diffusive Momentum Transport and Intrinsic Rotation in Tokamaks

4:15 - 4:45

Computer Science

Richard Vuduc, Georgia Tech

On the Limits and Opportunities of GPU Acceleration

4:15 – 4:45

Fusion Energy

Linda Sugiyama, MIT

Edge Instabilities and Magnetic Tangles - a New Picture of Fusion Plasmas

4:45 - 5:15

Computer Science

Rajeev Thakur, ANL

MPI at Exascale: What will scale and what needs to change?

4:45 - 5:15

Fusion Energy

Michael Barnes, U. Oxford

Direct Multi-Scale Coupling of a Plasma Transport Code to Gyrokinetic

Turbulence Codes, with Comparison to Fusion Experiments.

(M. Barnes, W. Dorland, T. Gφrler, G.W. Hammett, F. Jenko)

 

 

 

 

 

 

 

5:15 – 5:45

BREAK: Discussions continue
Ballroom foyers

Vendor Session - Chair: Buddy Bland, ORNL

Ballroom

5:45 – 6:15

 

 

 

6:15 – 6:45

Vendor

 

Vendor

 

 

OpenCL Acceleration for HPC

 

Throughput Computing: To ExaScale and Beyond

 

 

William C. Brantley, AMD

 

Bill Dally, NVIDIA

 

 

 

6:45 – 9:45

Poster Session - Chair: Jeff Kuehn

~ Walker Room ~

SciDAC projects

 



 

WEDNESDAY, JULY 14

7:30 - 8:30

WORKING CONTINENTAL BREAKFAST:
- Project discussion opportunities for SciDAC collaborators
- Session Chairs to finalize introductions
- Boardroom and birds-of-a-feather session sign-ups
Ballroom

 Technical Session - Chair: Phil Jones

 ~ Ballroom ~

8:30 – 9:15

Climate

ISICLES: Ice Sheet Initiative for Climate Extremes

Esmond Ng, LBNL

9:15 – 9:45

Climate

Using single-forcing factor experiments to explore climate-biogeochemistry feedbacks in CESM1

(P. Thornton, K. Lindsay, M. Branstetter, and the CCSM Biogeochemistry Working Group)

Peter Thornton, ORNL

9:45 – 10:15

Climate

Model for Prediction Across Scales: A Multi-Resolution Approach to Climate Modeling

(T. Ringler, B. Skamarock, M. Gunzburger)

 

Todd Ringler, LANL

10:15 – 10:45

 

BREAK: Discussions continue, refreshments served, Ballroom foyers

 

 

DUAL TRACK

Ballroom

Amphitheater

Technical Session - Chair: Jackie Chen

Technical Session - Chair: Richard Brower

10:45 – 11:30

Combustion

Bob Moser, UT Austin

Two Opportunities in Extreme Computing: Turbulence Simulation and Uncertainty Quantification

10:45 – 11:30

Lattice QCD

Paul Mackenzie, FNAL

Lattice QCD and the Standard Model in the Exascale Era

11:30 – 12:00

Combustion

Diego A. Donzis, Texas A&M University

 Toward Petascale Simulations of Turbulence and Turbulent Mixing: Recent Results and Future Opportunities

11:30 – 12:00

Lattice QCD

Julius Kuti, UCSD

Lattice GPU Computing and the Large Hadron Collider

12:00 – 12:30

Combustion

Ray Grout, NREL

High Fidelity Simulations Towards Understanding Combustion of Evolving Fuels

R.W. Grout, C.S. Yoo, E.S. Richardson, S. Hammond, J.H. Chen

12:00 – 12:30

Lattice QCD

Peter Petreczky, BNL

Properties of Hot Strongly Interacting Matter from Large Scale Numerical Simulations

12:30 – 1:15

WORKING LUNCH: Birds-of-a-Feather roundtable discussions
Broad Street

 

Technical Session – Chair: John Blondin

Technical Session – Chair: Sean Ahern

1:15 – 1:45

Astrophysics

Alex Szalay, Johns Hopkins University

Amdahl's Laws and Extreme Data Intensive Computing

1:15 – 1:45

Visualization

Peter Lindstrom, LLNL

Challenges of Multiplicity in Extreme-Scale Visualization

1:45 – 2:15

Astrophysics

Christian Cardall, ORNL / UT

Towards Exascale Supernova Simulations with GenASiS

(C. Cardall, E. Endeve, R. Budiardja, P. Marronetti, A. Mezzacappa)

1:45 – 2:15

Visualization

Valerio Pascucci, Utah

Topology Rich Visualization for Interactive Feature Definition and Exploration

 (V. Pascucci, A.Gyulassy)

2:15 – 2:45

Astrophysics

Alan Calder, Stony Brook University

Evaluating Systematic Dependencies of Type Ia Supernovae.

(A.P. Jackson, B.K. Krueger, D.M. Townsley, E.F. Brown, F.X. Timmes, D.A. Chamulak)

2:15 – 2:45

Visualization

John Owens, UC Davis

What's New with the GPU? GPUs for Scientific Computing and Visualization

 

2:45 – 3:15

BREAK: Discussions continued, refreshments served

Ballroom foyers

 

Technical Session – Chair: Peter Lichtner

Technical Session – Chair: Panagiotis Spentzouris

3:15 – 4:00

Geosciences

Gary Pope, UT Austin

Overview of CO2 Geologic Storage Research Activities of the Center for Frontiers for Subsurface Security

 3:15 – 4:00

Accelerators

Warren Mori, UCLA

Dream Beams: Extreme Scale Computing Enabling New Accelerator
Technologies for the Energy and Intensity Frontiers

4:00 – 4:30

Geosciences

Hajime Yamamoto, Taisei Corporation

Massively Parallel Simulation of CO2 Geologic Storage – An Approach for Investigating Impact on Basin-Scale Groundwater Environment

4:00 – 4:30

Accelerators

Rich Lee, SLAC

Wakefield Computations at Extreme Scale for Ultra-short Bunches using Parallel hp Refinement

 (L-Q Lee, A. Candel, C. Ng, A. Kabel, L. Xiao, G. Schussmam, K. Ko)

4:30 – 5:00

Geosciences

Glenn Hammond, PNNL

Cleaning Up the Cold War: Simulating Uranium Migration at the Hanford 300 Area (G. Hammond and P. Lichtner)

 4:30 – 5:00

Accelerators

James Amundson, FNL

Advances in large-scale computations of multi-particle beam dynamics
(J. Amundson, A. Macridin, P. Spentzouris, E. Stern, R. Ryne, J. Qiang, S. Muszala, P. Stoltz)

 

 

 

 

 

 

 

Vendor Session - Chair:  Buddy Bland
Ballroom

5:30 – 6:00

Vendor

Steve Scott

Meeting the Exascale Challenges

CRAY

6:00 – 6:30

Vendor

Stephen Pawlowski

Exascale: The Next Frontier in High-Performance Computing

INTEL

Vis Night - Chattanooga Aquarium River Journey

ASCR visualization competition

Board buses at Market and 12th Street

Charter bus will pick up outside hotel lobby every 15 minutes to / from The Chattanooga Aquarium.

7:00 - 10:00

Scientific visualization displays and OASCR balloting

Attention:  Vis Night at the Aquarium does not open until 7:00 p.m.  Ballots for OASCR awards will be available upon entrance to The Chattanooga Aquarium beginning at 7:00 p.m.  Ballots will be collected until 8:30 p.m.  Winners will be announced in the Aquarium Amphitheater after tallying.

 

THURSDAY, JULY 15
~ Ballroom (unless otherwise noted) ~

7:00 - 8:00

WORKING CONTINENTAL BREAKFAST:
- Project discussion opportunities for SciDAC collaborators
- Session Chairs to finalize introductions
- Boardroom and birds-of-a-Feather session sign-ups
Ballroom

Technical Session - Chair: Jeremy Smith

8:00 - 8:35

Biology

Biomolecular Simulation – A Field Coming of Age

Tamar Schlick, NYU

8:35 - 9:10

Biology

Systematic and Scalable Multiscale Simulation of Multiprotein Complexes

Greg Voth, ORNL/UT

9:10 - 9:45

Biology

Molecular Simulation in the Energy Biosciences

Jeremy Smith, ORNL/UT

9:45 – 10:15

BREAK: Discussions continue, refreshments served

Ballroom foyers

Technical Session - Chairs: Rob Ross / Terrence Critchlow

10:15 – 11:00

Data Management

Scientific Data Management Challenges and Approaches in the Extreme Scale Era

Arie Shoshani, LBNL

11:00 - 11:30

Data Management

From Grid to Cloud, the STAR experience

Jerome Lauret, BNL

11:30 - 12:00

Data Management

Mining Climate and Ecosystem Data: 

Challenges, Opportunities, and Some Early Results

Vipin Kumar, U Minnesota

12:00 - 1:00

WORKING LUNCH: Birds-of-a-Feather roundtable discussions

Broad Street

 

Technical Session - Chair: John Turner

1:00 - 1:30

Nuclear Energy

Three-Dimensional Full-Core Power Calculations for Pressurized Water Reactors
    (T. Evans, G. Davidson, R. Slaybaugh, K. Clarno)

Tom Evans, ORNL

1:30 - 2:00

Nuclear Energy

Computational Approach to Multiscale Multiphysics Modeling of Nuclear Reactors

Mike Podowski, RPI

2:00 - 2:30

Nuclear Energy

Reactors Multiscale Investigation of Irradiation Effects in Fuel, Clad and Structural Materials

Brian Wirth, UC Berkeley

2:30 - 3:00

BREAK: Discussions continue, refreshments served

Ballroom foyers

Technical Session - Chair: Patricia Kovatch

 3:00 - 3:30

Facilities

Bringing Users along the Road to Billion Way Concurrency

Kathy Yelick, NERSC

 3:30 - 4:00

Facilities

The Software of the Future on the Hardware of the Future"

(J. Hammond, W. Scullin, R. Bair)

Jeff Hammond, ANL

 4:00 - 4:30

Facilities

GPU accelerators:  The good, bad and ugly!

(R. Kendall, W. Joubert, I. Carpenter, A. Tharrington, R. Sankaran, M. Eisenbach, O. Hernandez, B. Messer, R. Hartman-Baker, C. Baker, J. Turner, D. Kothe, R. Harrison, J. Larkin)

Ricky Kendall, ORNL

 

Closing Session

4:30 - 5:00

Closing Remarks

 Thomas Zacharia, ORNL

Lori Diachin, LBNL

5:00

ADJOURN