CScADS Workshop on

Libraries and Algorithms for Petascale Applications

 

July 30th  – August 2nd, 2007

 

Held at the

Snowbird Ski & Summer Resort

Highway 210, Little Cottonwood Canyon

Snowbird, Utah 84092-9000

 

 

Organized by Jack Dongarra and Bill Gropp

 

This workshop is sponsored by the

Center for Scalable Application Development Software,

with funding from the

DOE Office of Science through the

Scientific Discovery through Advanced Computing (SciDAC) program.

 

   

 

                      

We would like to thank you for agreeing to participate in the CScADS workshop on Libraries and Algorithms for Petascale Applications.  The purpose of this workshop is to identify challenges for library and algorithm developers from the needs of the SciDAC applications, and to foster collaboration between the communities.  Specific topics to include the effective use of multicore processors (both algorithms and libraries) and the use of automatic tuning in libraries, but would not be restricted to those topics.

 

The workshop charge is to:

•      Identify important open problems and challenges for performance tools for petascale systems

•      Brainstorm on promising approaches to open problems

•      Identify infrastructure needs to address key challenges

•      Assess available infrastructure

•      Identify opportunities for synergy

–    opportunities to

•      consolidate and harden existing infrastructures

•      reuse existing components developed by others

•      refactor and extend existing components to apply them to new challenges

•      Collaborate on design of sharable components

•      Identify targets of opportunity for further investment of resources

–    strategic investment targets for the DOE Office of Science

 

We would like to keep things informal.

 

Dress at the workshop is informal.  Please tell us if you need special requirements (vegetarian food etc...) We are expecting to have an internet and wireless connections at the meeting. There will be a laptop projector for giving talks.

 

We hope everyone will participate in the discussions that occur during the sessions and outside the meeting room. We are looking for more cutting edge, provocative, honest, and/or controversial talks.

 

The workshop and all guest rooms are in the Cliff Lodge. The workshop will take place in the Summit Room which is on the 10th floor.

 

The Banquet and reception on the 1st floor. If the weather's nice, we can have it outside, otherwise they'll find a room for us inside (last week it was in the WasatchB room).

 

Additional information and be found at http://cscads.rice.edu/workshops/july2007/workshop-logistics

and http://cscads.rice.edu/workshops/july2007/lib-workshop-07

 

For reimbursement there will be forms.  Since your hotel is already covered by the workshop we will probably just need your airfare receipt.

 

Please remember that Snowbird is at 8500 ft altitude.  Coming from low altitude, drink plenty of liquids, don't have too much alcohol your first day or so, and take it easy.

 

For those of you around Sunday evening, folks can informally gather in the Aerie lounge on the 10th floor of the Cliff Lodge to find old friends. 

 

For those of you not taking the shuttle, the Cliff Lodge is "Entry 4" into Snowbird.

 

 

 

Agenda:

Monday

June 30th

Applications

8:00 – 8:30

Continental Breakfast

Meeting Room: Cliff Lodge

8:30 – 9:00

Welcome and Introduction

Jack Dongarra, UTK and ORNL and Bill Gropp ANL

8:30 – 9:10

Steve Jardin,                   Princeton Plasma Physics Laboratory

Algorithmic Needs for Fusion Magnetohydrodynamics (MHD) and Other Predominantly Hyperbolic Systems of Equations

9:10 – 9:50

Rich Lee,                        SLAC

 

Finite-Element Electromagnetic Simulations for Particle Accelerators at Petascale

9:50 – 10:20

Break

 

10:20 – 11:00

Serguei Ovchinnikov, Tech-X Corporation

Some Scalability Issues in VORPAL and PETSc Applications

11:00 – 11:40

Johan Carlsson,           Tech-X Corporation

Concurrent Divide-and-Conquer Library with Petascale Electromagnetics Applications

11:40 – 12:20

Ron Shepard,                    ANL

Some Algorithms in Quantum Chemistry

12:20 – 2:00

Lunch

On your own

(Covered by per diem)

2:00 – 2:40

Ichitaro Yamazaki,                 UC Davis

 

Algorithmic Challenges in Quantum Monte-Carlo (QMC) Simulation of Strongly-Correlated Materials

2:40 – 3:20

Kenneth Roche,            ORNL

UNEDF Project: Comments on Some Perceived Software Issues and Opportunities for Collaboration

3:20 – 3:40

Break

 

3:40 – 4:20

Marc Baboulin,                  U of Tennessee & Cerfacs

Very Large Least Squares for Parameter Estimation: Algorithm and Application

4:20 – 5:00

 

 

6:00

Dinner – Banquet

 


 

Tuesday

July 31st

Software and Libraries

8:00 – 8:30

Continental Breakfast

 

8:30 – 9:15

Edo Apra,                     ORNL

Software needs for Quantum Chemistry Software

9:15 – 10:00

Jim Amundson,             FNAL

 

Computational Challenges in State-Of-The-Art Accelerator Beam Dynamics.

10:00 – 10:30

Break

 

10:30 – 11:15

Jim Demmel,                   UC Berkeley

The Future of High Performance Linear Algebra Libraries

11:15 – 12:00

Sherry Li,                       LBNL

Development of Sparse Direct Solvers and Eigensolvers in TOPS

12:00 – 1:30

Lunch

On your own

(Covered by per diem)

1:30 – 2:15

Dan Sorensen,                Rice U

Invariant Subspace Computation in Scientific Computing

2:15 – 3:00

Mike Heroux,                   SNL

An Overview of Trilinos: Packages for Parallel Formulation and Solution of Scientific and Engineering Problems

3:00 – 3:30

Break

 

3:30 – 4:15

Sanjukta Bhowmick, Columbia U

Machine Learning Techniques for Linear Solver Selection

4:15 – 5:00

Karen Devine, SNL

Dynamic Load Balancing and Partitioning using the Zoltan Toolkit

6:00

Dinner

On your own

(Covered by per diem)

7:30 -

General Discussion and Optional Hands-on Session

 

 


 

Wednesday

August 1st

Software and Libraries

8:00 – 8:30

Continental Breakfast

 

8:30 – 9:10

Alfredo Buttari,                U of Tennessee

Parallel Tiled Algorithms for Multicore Architecture

9:10 – 9:50

Julien Langou,                   U of Colorado, Denver

Latency-Avoiding and Fault-Tolerant Algorithms for Dense Linear Algebra and Petascale Architectures

9:50 –10:30

Stan Tomov,                        U of Tennessee

Computer Science/Math Challenges Related to Nano-Technology Applications

10:30 – 10:45

Break

 

10:45 – 11:25

Hong Zhang,                    ANL

PETSc and its On-going Research and Development

11:25 – 12:05

Lori Diachin,                  LLNL

Interoperable Meshing Tools for Advanced Petascale Simulations

12:05 – 6:00

Lunch / Enjoy the Snowbird area (Hiking maps provided)

On your own

(Covered by per diem)

6:00

Dinner - Banquet

 

 

Thursday

August 2nd 

Summary and Priories for DOE:

Challenges for Libraries and Algorithms

8:00 – 8:30

Continental Breakfast

 

8:30 – 12:00

Split into Groups

Respond to charge

Jim’s group

Mike’s group

12:00 – 1:30

Lunch

On your own

(Covered by per diem)

1:30 – 3:00

Group reports

 

 


 

List of Attendees:

 

First Name

Last Name

Email Address

Jim

Amundson

amundson@fnal.gov

Edo

Apra

aprae@ornl.gov

Marc

Baboulin

baboulin@cs.utk.edu

Sanjukta

Bhowmick

sb2423@columbia.edu

Alfredo

Buttari

buttari@cs.utk.edu

Johan

Carlsson

johan@txcorp.com

James

Demmel

demmel@cs.berkeley.edu

Karen

Devine

kddevin@sandia.gov

Lori

Diachin

diachin2@llnl.gov

Jack

Dongarra

dongarra@cs.utk.edu

Bill

Gropp

gropp@mcs.anl.gov

Michael

Heroux

maherou@sandia.gov

Steve

Jardin

jardin@pppl.gov

Julien

Langou

langou@math.cudenver.edu

Julie

Langou

julie@cs.utk.edu

Rich (Lie-Quan)

Lee

liequan@slac.stanford.edu

Sherry

Li

xsli@lbl.gov

Serguei

Ovtchinnikov

serguei@txcorp.com

Kenneth

Roche

rochekj@ornl.gov

Ron

Shepard

shepard@tcg.anl.gov

Dan

Sorensen

sorensen@rice.edu

Stanimire

Tomov

tomov@cs.utk.edu

Ichitaro

Yamazaki

yamazaki@cs.ucdavis.edu

Hong

Zhang

hzhang@mcs.anl.gov

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 


 

 

 

 

 

 

 

 

 

Cliff Lodge Registration (Level C)

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

Reception/Banquet (Level B)

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

Marc

Baboulin

Libraries

2

 

Michael

Heroux

Libraries

2

 

Julien

Langou

Libraries

2

 

Rich (Lie-Quan)

Lee

Application

2

 

Serguei

Ovtchinnikov

Application

2

 

Ron

Shepard

Application

2

 

Hong

Zhang

Libraries

2

 

Alfredo

Buttari

Libraries

1

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

Sanjukta

Bhowmick

Libraries

3

 

Johan

Carlsson

Application

3

 

Karen

Devine

Libraries

3

 

Steve

Jardin

Application

3

 

Sherry

Li

Libraries

3

 

Stanimire

Tomov

Libraries

3

 

Ichitaro

Yamazaki

Application

3

 

James

Demmel

Libraries

1

 

Julie

Langou

Libraries

1

 

 

 

 

 

 

Jack

Dongarra

Libraries

 

 

Bill

Gropp

Libraries

 

 

 

 

Questions for groups

·        What do users want from libraries that they don’t have now?

o   Functionality

§  Operations

§  Types/precision/data layouts

o   Ease of use

§  Portability

§  Interoperability

§  Reproducibility

§  Maintainability

o   Scalability

§  Target platforms (petascale, multicore, clusters, …)

§  Fraction of peak

§  Memory hierarchies /Out of core

§  Hierarchical machines ->

 

·        Role of automatic code generation and tuning?

 

o   When is it worth starting over to write a library generator rather than a library?

§  Dealing with hierarchical machines

o   Maintainability

o   Adapting to new architectures

o   How much are users willing to accommodate runtime tuning in their applications?