U.S. Department of Energy’s Office of Science Basic Energy Sciences Advisory Committee Dr. Daniel A. Hitchcock October 21, 2003 [email protected].

U.S. Department of Energy’s

Office of Science

Basic Energy Sciences Advisory Committee

Dr. Daniel A. HitchcockOctober 21, [email protected]

Advanced Scientific Computing ResearchPlanning for the Future

Office of Science

U.S. Department of Energy ASCR Program Overview

BasicResearch

…simulation …distributed teams, of complex systems remote access to facilities

Energy Sciences Network (ESnet)

Advanced Computing Research Testbeds (ORNL/CCS, …)

National Energy Research Scientific Computing Center (NERSC)

• Nanoscience• Materials• Chemistry• Combustion• Accelerator• High energy

Physics• Nuclear physics• Fusion• Climate• Astrophysics• Biology

• Applied Mathematics• Computer Science

• Network Environment• Scientific Applications• Genomes to Life

…ApplicationsBES,

BER, FES, HEP, NP

• Integrated Software Infrastructure Centers

(Mathematicians, computer scientists, application scientists, and software engineers)

High Performance Computing and Network Facilities for Science

Research to enable…

• Grid enabling research

• Nanoscience

Next Generation Architecture

Office of Science

U.S. Department of Energy

Workshops and Reports

Genomes to Life, 2001 http://www.doegenomestolife.org/pubs.html

Theory and Modeling in Nanoscience, May 2002 http://www.sc.doe.gov/bes/besac/Theory%20and%20Modeling%20in%20Nanoscience.pdf

Blueprint for Future Science Middleware and Grid Research and Infrastructure, August 2002 http://www.nsf-middleware.org/MAGIC/default.htm

High Performance Network Planning Meeting, August 2002 http://doecollaboratory.pnl.gov/meetings/hpnpw/finalreport/

Fusion Simulation Project, December 2002 http://ofes.fusion.doe.gov/News/FSP_report_Dec9.pdf

DOE Science Network Meeting, June 2003 http://gate.hep.anl.gov/may/ScienceNetworkingWorkshop/

DOE Science Computing Conference, June 2003 http://www.doe-sci-comp.info

Science Case for Large Scale Simulation, June 2003 www.pnl.gov/scales/

Workshop on the Road Map for the Revitalization of High End Computing http://www.cra.org/Activities/workshops/nitrd/

Cyberinfrastructure Report http://www.cise.nsf.gov/evnt/reports/toc.htm

ASCR Strategic Planning Workshop http://www.fp-mcs.anl.gov/ascr-july03spw

Office of Science

U.S. Department of Energy

Strategic Issues for ASCREnabling World Leadership in Science

Providing high performance computing and network facilities;

Maintaining world-class research effort in applied mathematics, computer science, and computer networks;

Effective partnerships with applications scientists in all of the Offices in SC;

Effective partnerships with other Federal Agencies;

Accelerating transition from research to application; and

Long-Term support of software.

Office of Science

U.S. Department of Energy

Research to Enable New Frontiers in Science though Simulation

The mathematics of complex and multiscale systems;

Ultrascalable algorithms for petascale systems

The computer science to enable advanced computers; and

The computer science to transform petabytes of data into knowledge.

BasicResearch

SciDACISIC

Deployment toFacilities

Deployment toUsers

Long TermLong TermSupportSupport

Office of Science

U.S. Department of Energy

Compute Facilities and Testbeds

ExperimentalExperimental Proof of conceptProof of concept Small scale research projectsSmall scale research projects

Research and Evaluation (R&E )Prototype Sufficient scale to enable evaluation of scientific potential Research Projects Enables new science for a few brave users

High Performance Production Capability Stable, multi-user capability environment Large user support, consulting and training investment Direct support of agency mission

Leadership-Class Most Capable System available for a class of applications Small number of projects Resource for national science community, managed similar to light source

or high energy physics facility

Definitions

Office of Science

U.S. Department of Energy

Compute Facilities and TestbedsStrategy

Maintain Current Investment in High Performance Production Capability for SC Missions;

Increase number of R&E Prototypes; Not all funded by ASCR Reduce architecture risk Manage as research projects Improve coupling with vendors in design stage

Couple software research to facility and testbed operations;

Leadership-Class Compute Capability for Open Science; and

Tighten coupling between R&E Prototype Evaluation and High Performance Production Capability and Leadership-Class

Office of Science

U.S. Department of Energy

SOFTWARE

SOFTWARE

Compute Facilities and TestbedsTimeline

Experiment

R&E Prototype

Leadership-Class

High Performance Production Capability

High PerformanceCapacity

Desktop

Year 1 Year 3Year 2

Year 4 Year 5 Year 6 Year 7 Year 9Year 8 Year 10

Office of Science

U.S. Department of Energy

Network Environment Research

Science applications and specialized experimental facilities are n-way interconnected to terascale computing, petascalestorage, high-end visualization, and remote collaborators in a seamless environment that provides the performance level required to move science, especially large-scale science, to a new regime—rapid scientific progress through the interplay of theory simulation, and experiment.

Office of Science

U.S. Department of Energy

Research to Enable New Frontiers in Science though Networks

BasicResearch

SciDACISIC

Deployment toFacilities

Deployment toUsers

Long TermLong TermSupportSupport

End-to-end performance High-Performance Middleware Integrated testbeds and networks

Office of Science

U.S. Department of Energy

Network Facilities and TestbedsStrategy

Maintain Current Investment in High Performance Production Capability for SC Missions;

Develop R&E Prototype Network; Coordinated with other Agencies Rely on other Agencies for fundamental Hardware

Research Focus on High Throughput Streams Network Measurement and Diagnosis

Couple software and applications research to network facility and testbed operations and planning; and

Tighten coupling between R&E Prototype Evaluation and High Performance Production Network.

Office of Science

U.S. Department of Energy

Network Network Environment & Environment &

ApplicationsApplications

Network Facilities and TestbedsTimeline

Experiment

R&E Prototype

High Performance Production Networks

Year 1 Year 3Year 2

Year 4 Year 5 Year 6 Year 7 Year 9Year 8 Year 10

Office of Science

U.S. Department of Energy Effective Partnerships with Applications Scientists Partnerships Strategy

Build on SciDAC; Partnerships are critical to ASCR; Increase joint Program Office collaboration to

plan partnerships; SciDAC Genomes to Life Nanoscience Fusion Simulation Project

ASCR funds math, computer science and “glue” while Program Offices fund science;

Office of Science

U.S. Department of Energy Effective Partnerships with Application Scientists Long Term Support of Software Strategy

Critical issue for delivery of software resulting from ASCR research as well as application community codes;

Must be coupled to research but is not research; Issues:

Can be very expensive; Low volume niche market; Distributed benefit, centralized cost; Many previous models have failed; Hard to make a priority in a research environment.