# Presentation: 202494

## U.S. Department of Energy’sOffice of Science

**Dr. Raymond L. Orbach,**
**Director, Office of Science**

- American Physical Society Meeting
- Montreal, Canada
- March 24, 2004

**U.S. Department of Energy’s*****Office of Science***

## 
“In many cases, theoretical and experimental approaches do not provide sufficient information to understand and predict the behavior of the systems being studied. Computational modeling and simulation, which allows a description of the system to be constructed from basic theoretical principles and the available experimental data, are keys to solving such problems.”

- “In many cases, theoretical and experimental approaches do not provide sufficient information to understand and predict the behavior of the systems being studied. Computational modeling and simulation, which allows a description of the system to be constructed from basic theoretical principles and the available experimental data, are keys to solving such problems.”

**COMPUTER SIMULATION: THE THIRD PILLAR OF SCIENCE**

##     The science of the future demands that we advance beyond our current computational abilities.  Accordingly, we must address the following questions:

What new mathematics are required to effectively model systems such as the Earth’s climate or the behavior of living cells that involve processes taking place on vastly different time and/or length scales?
Which computational architectures and platforms will deliver the most benefit for the science of today and the science of the future?
What advances in computer science and algorithms are needed to increase the efficiency with which supercomputers solve problems for the Office of Science?
What operating systems, data management, analysis, model development, and other tools are required to make effective use of future-generation supercomputers?
Can we develop a new sociology in science, applied and multiscale mathematics, algorithms; hardware, software, and computer science to fully utilize high-end computational power?

**What new mathematics are required to effectively model systems such as the Earth’s climate or the behavior of living cells that involve processes taking place on vastly different time and/or length scales?**
**Which computational architectures and platforms will deliver the most benefit for the science of today and the science of the future?**
**What advances in computer science and algorithms are needed to increase the efficiency with which supercomputers solve problems for the Office of Science?**
**What operating systems, data management, analysis, model development, and other tools are required to make effective use of future-generation supercomputers?**
**Can we develop a new sociology in science, applied and multiscale mathematics, algorithms; hardware, software, and computer science to fully utilize high-end computational power?**

**ADVANCING BEYOND OUR CURRENT CAPABILITIES**

## Working to build leadership class machines that will exceed 50 sustained teraflops to begin to simulate and understand the fundamental physical, chemical and biological processes of natural and manmade systems.

- To meet the need for effective computing performance in the 100-teraflop range and beyond, the Office of Science will support the evaluation, installation, and application of new very high-end computing architectures for computational science.
- These high-performance computers will provide a new window for researchers to observe the natural world at a fidelity that could only be imagined a few years ago.

**WHAT IS THE OFFICE OF SCIENCE DOING?**

## WHAT HAPPENS AT 50 TFLOPS SUSTAINED SPEED?

**WHAT HAPPENS AT 50 TFLOPS SUSTAINED SPEED?**

**For evaluation of a design alternative for the purpose of optimization of a jet engine design, GE would require 3.1 x 1018 floating point operations, or 3.6 days of sustained speeds of 10 Tflops.  100 Tflops of sustained speed would require “only” 8.6 hours. This is to be compared with millions of dollars, several years, and designs and re-designs for physical prototyping**.

## INCITE

- 4,500,000 CPU hours available (10% of NERSC Capability)
- 53 proposals received
- 130,508,660 CPU hours requested
- 65% from U.S. academic institutions
- 12 different scientific disciplines
- 62% for research not funded by DOE
- Three Awards
**“****Thermonuclear Supernovae: Stellar Explosions in Three Dimensions,”** Tomasz Plewa, Center for Astrophysical Thermonuclear Flashes, University of Chicago (2.7 million processor hours).
**“****Fluid Turbulence and Mixing at High Reynolds Number,”**  Professor P. K. Yeung, Georgia Institute of Technology (1.2 million processor hours) [current support from the National Science Foundation].
**“****Quantum Monte Carlo Study of Photoprotection via Carotenoids in Photosynthetic Centers,”** William A. Lester, Jr., Lawrence Berkeley National Laboratory and the University of California Berkeley ( 1 million processor hours).

**INCITE**

## LEADERSHIP-CLASS COMPUTING CAPABILITY FOR SCIENCE

**LEADERSHIP-CLASS COMPUTING CAPABILITY FOR SCIENCE**

**The focus should be on capability computing in support of high-end science – rather than on enhanced computing capacity for general science users;**
**Activities should be designed to support computational science applications research areas relevant to the mission of the Office of Science, as well as those of other federal agencies; **
**Activities should include a plan for an active dialogue with industry, universities, and laboratories and centers in order to maximize the dissemination of information, promote and support technology commercialization, and avoid unnecessary duplication of effort; **
**Multiple year funding is anticipated, but not guaranteed.  Applicants may request periods of performance ranging up to five years;**
**Only Office of Science Laboratories are eligible to respond to this solicitation.**
**It will be a user facility providing leadership class computing capability to scientists and engineers nationwide independent of their institutional affiliation or source of funding.**

## U.S. Department of Energy’sOffice of Science

**A multi-agency High-End Computing Revitalization Task Force organized by the Office of Science and Technology Policy is developing a roadmap to revitalize U.S. supercomputing.  Its report is due to the President’s Science Advisor shortly.**
**We have strengthened  our partnerships with the Defense Advanced Research Projects Agency and the National Nuclear Security Agency through a Memorandum of Understanding to ensure the best evaluation of the effectiveness of existing and future architectures for various types of scientific problems.**
**The Office of Science will work to determine potential effects of advances in high end computing.  In particular, we will address:**
**	***** What are scientific needs and priorities for high performance computing?**
**	***** How well do these requirements match existing and future system architectures ?**
**	***** What are the opportunities for expanded HPC applications?   **
**	***** What are the drivers or constraints to expanded HPC usage?**
**For copies of this presentation, please go to http://www.science.doe.gov/**

**U.S. Department of Energy’s*****Office of Science***