Path to Petascale: Adapting GEO/CHEM/ASTRO Applications for Accelerators and Accelerator Clusters

Path to Petascale: Adapting GEO/CHEM/ASTRO Applications for Accelerators and Accelerator Clusters

Agenda

All events are in the NCSA Building, 1205 W. Clark St., Urbana, Illinois.

Wednesday, April 1

2:15 p.m.
Transportation information
Pick up at Holiday Inn
Bring to NCSA Circle Drive
3:00 p.m.
Registration
3:30 p.m.
Hands-on with GPU/Cell clusters
Chair: Volodymyr Kindratenko, NCSA

1030 NCSA
5:00 p.m.
Break/snacks
5:30 p.m.
Hands-on with GPU/Cell clusters
(Attendees can continue working with the systems)
1030 NCSA
7:30 p.m.
Transportation information
Pick up at NCSA Circle Drive
Return to Holiday Inn

Thursday, April 2

7:30 a.m.
Transportation information
Pick up at Holiday Inn
Bring to NCSA Circle Drive
8:10 a.m.
Transportation information
Pick up at Holiday Inn
Bring to NCSA Circle Drive
8:00 a.m.
Registration/Continental Breakfast
8:30 a.m.
GPU Technology
Chair: Wen-mei Hwu, University of Illinois at Urbana-Champaign

NCSA Auditorium
10:00 a.m.
Break
10:30 a.m.
Cell Technology
Chair: Volodymyr Kindratenko, NCSA

IBM Cell technology roadmap, IBM's Cell programming ecosystem
Vipin Sachdeva, IBM

Introduction/overview of Cell-based accelerators, programming models, and general application implementation considerations
Ben Bergen, Los Alamos National Lab

Cell programming seen through a fluid dynamics code example
Paul Woodward, University of Minnesota
NCSA Auditorium
Noon
Lunch
1:30 p.m.
Accelerator Programming
Chair: John Stone, University of Illinois at Urbana-Champaign

NCSA Auditorium
3:00 p.m.
Break
3:30 p.m.
Accelerator Clusters/Frameworks
Chair: Craig Steffen, NCSA

Experience with NAMD on GPU-accelerated clusters
Jim Phillips, University of Illinois at Urbana-Champaign

Reverse acceleration: An alternative path to petascale programming
Scott Pakin, Los Alamos National Lab

Tree-based algorithms on GPUs
Matthew Knepley, University of Chicago

GPU CFD implementation
Jonathan Cohen, NVIDIA
NCSA Auditorium
5:30 p.m.
Dinner / Poster Session
Some optimization strategies for running weather codes efficiently on GPUs
Mark Govett, NOAA Earth System Research Laboratory

GPU implementation of multiphase lattice-Boltzmann simulations
Stuart Walsh, Department of Geology and Geophysics, the University of Minnesota

Modeling of Tsunami Equations and Atmospheric Swirling Flows with a Graphics Processing Unit (GPU) and Radial Basis Functions (RBF)
Jessica Schmidt, College of Saint Scholastica

Evaluating the Jaccard-Tanimoto Index on Multi-Core Architectures
Vipin Sachdeva, IBM Future Technology Solution Design Center

Quantum Monte Carlo on Graphical Processing Units
Amos Anderson, Caltech

Liouville-von Neumann Molecular Dynamics
Jacek Jakowski, Emerson Center for Scientific Computation and Department of Chemistry, Emory University

Two-Electron Integral Evaluation on FPGA, Cell and GPGPU accelerators
Guochun Shi, NCSA

Accelerating Cosmology codes
Robert Brunner, Department of Astronomy, University of Illinois at Urbana-Champaign

Solar wind properties at 1 AU, big time series analysis on the Cell cluster at ARSC
Anton Kulchitsky, Arctic Region Supercomputing Center, UAF

GPU acceleration of continuum quantum Monte Carlo Simulations
Ken Esler, NCSA

Real-time Registration of 3D Medical Images
Ramtin Shams, The Australian National University

Auto-tuning sparse matrix-vector "stencil" computations for GPUs
Chris Hill, MIT

Porting GENESIS (GENetic-Evolutionary Stokes Inversion Strategy) to NVIDIA's CUDA Architecture
Brian Harker-Lundberg and Kenneth Mighell, National Optical Astronomy Observatory

High-Performance Large Eddy Simulations (LES) of Turbulent Flows using Graphics Processing Units (GPUs)
Aaron Shinn and Pratap Vanka, University of Illinois at Urbana-Champaign

Visualization and Computational Steering of Level Sets on the GPU for Seismic Interpretation
Benjamin Kadlec, University Corporation for Atmospheric Research
NCSA Atrium
8:00 p.m.
Transportation information
Pick up at NCSA Circle Drive
Return to Holiday Inn
8:45 p.m.
Transportation information
Pick up at NCSA Circle Drive
Return to Holiday Inn

Friday, April 3

7:30 a.m.
Transportation information
Pick up at Holiday Inn
Bring to NCSA Circle Drive
8:10 a.m.
Transportation information
Pick up at Holiday Inn
Bring to NCSA Circle Drive
8:00 a.m.
Continental Breakfast
8:30 a.m.
Breakout Sessions

Geosciences
Chair: Robert Wilhelmson, NCSA
1030 NCSA

Computational Chemistry
Chair: Todd Martinez, Stanford
First principles calculations of large molecules on graphical processing units (GPU)
Ivan Ufimtsev, Stanford University

Uncontracted Rys Quadrature on GPU
Andrey Asadchev, Iowa State University

HOOMD: General purpose molecular dynamics on multiple GPUs implemented using CUDA
Joshua Anderson, Iowa State University
NCSA Auditorium

Astronomy/Astrophysics
Chair: Robert Brunner, University of Illinois at Urbana-Champaign
1040 NCSA
10:00 a.m.
Break
10:30 a.m.
Breakout Sessions

Geosciences
Chair: Robert Wilhelmson, NCSA
Solar Radiation Calculations on GPU Hardware
Rory Kelly, NCAR

Tsunami Wave Propagation Problems as studied with GPUs
Dave Yuen, Minnesota Supercomputing Institute, University of Minnesota

Parallel finite volume shallow water kernels on GPU hardware
Chris Hill, MIT

Dynamics, Radiation, Compilers, and the Cell
Shujia Zhou, NASA GSFC/Northrop Grumman
1030 NCSA

Computational Chemistry
Chair: Todd Martinez, Stanford
Sparse Matrix Vector Products on the GTX8800 GPU
Alistair Rendell, Australian National University

GPGPU for correlated quantum chemistry calculations
Alan Aspuru-Guzik, Harvard University

OpenMM: Molecular Dynamics Simulation on GPUs
Peter Eastman, Stanford University
NCSA Auditorium

Astronomy/Astrophysics
Chair: Robert Brunner, University of Illinois at Urbana-Champaign
1040 NCSA
Noon
Working Lunch
Summary statements from the communities
1:15 p.m.
Transportation information
Pick up at NCSA Circle Drive
Take to Willard Airport
2:15 p.m. - 2:30 p.m.
Transportation information
Pick up at NCSA Circle Drive
Return to Holiday Inn
2:00 p.m.
Adjourn