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ISCR Subcontract Research Summaries U R P UNIVERSITY RELATIONS PROGRAM The University Relations Program (URP) encourages collaborative research between Lawrence Livermore National Laboratory (LLNL) and the University of California campuses. The Institute for Scientific Computing Research (ISCR) actively participates in such collaborative research, and this report details the Fiscal Year 2002 projects jointly served by URP and ISCR. For a full discussion of all URP projects in FY 2002, please request a copy of the URP FY 2002 Annual Report by contacting Lawrence Livermore National Laboratory Edie Rock, University Relations Program P. O. Box 808, L-413 Livermore, CA 94551 UCRL-LR-133866-02 DISCLAIMER This document was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor the University of California nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accura- cy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise, does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or the University of California. The views and opin- ions of authors expressed herein do not necessarily state or reflect those of the United States Government or the University of California, and shall not be used for advertising or product endorsement purposes. This report has been reproduced directly from the best available copy. Available to DOE and DOE contractors from the Office of Scientific and Technical Information P.O. Box 62, Oak Ridge, TN 37831 Prices available from (423) 576-8401 Available to the public from the National Technical Information Service U.S. Department of Commerce 5285 Port Royal Rd., Springfield, VA 22161 Work performed under the auspices of the U.S. Department of Energy by University of California Lawrence Livermore National Laboratory under Contract W-7405-ENG-48. Institute for Scientific Computing Research Contents ISCR Fiscal Year 2002 Director’s Report .................................................................................................................................................. 2 Special Report on Employment Placement of ISCR Summer Student Alumni ........................................................................................ 4 ISCR Fiscal Year 2002 in Review .............................................................................................................................................................. 6 Seminar Series Abstracts ........................................................................................................................................................................ 15 University Collaborative Research Program Subcontract Research Summaries .................................................................................... 83 ISCR Subcontract Research Summaries .................................................................................................................................................. 97 Laboratory Directed Research and Development Project Research Summaries .................................................................................. 115 Student Internship Research Summaries .............................................................................................................................................. 123 ing the Laboratory aware of and connected to important external The Mission of the ISCR advances. It also attempts to be “feet and hands,” in carrying those advances into the Laboratory and incorporating them into he Institute for Scientific Computing Research (ISCR) at practice. In addition to conducting research, the ISCR provides TLawrence Livermore National Laboratory is jointly admin- continuing education opportunities to Laboratory personnel, in istered by the Computing Applications and Research the form of on-site workshops taught by experts on novel soft- Department (CAR) and the University Relations Program (URP), ware or hardware technologies. and this joint relationship expresses its mission. An extensively externally networked ISCR cost-effectively expands the level and The ISCR also seeks to influence the research community exter- scope of national computational science expertise available to the nal to the Laboratory to pursue Laboratory-related interests and Laboratory through CAR. The URP, with its infrastructure for to train the workforce that will be required by the Laboratory. managing six institutes and numerous educational programs at Part of the performance of this function is interpreting to the LLNL, assumes much of the logistical burden that is unavoidable external community appropriate (unclassified) aspects of the in bridging the Laboratory's internal computational research envi- Laboratory's own contributions to the computer and information ronment with that of the academic community. sciences—contributions that its unique mission and unique resources give it a unique opportunity and responsibility to make. As large-scale simulations on the parallel platforms of DOE's Advanced Simulation and Computing (ASCI) become increas- Of the three principal means of packaging scientific ideas for ingly important to the overall mission of LLNL, the role of the transfer—people, papers, and software—experience suggests that ISCR expands in importance, accordingly. the most effective means is people. The programs of the ISCR are therefore people-intensive. Relying primarily on non-permanent staffing, the ISCR comple- ments Laboratory research in areas of the computer and infor- Finally, the ISCR, together with CAR, confers an organizational mation sciences that are needed at the frontier of Laboratory identity on the burgeoning computer and information sciences missions. The ISCR strives to be the “eyes and ears” of the research activity at LLNL and serves as a point of contact within the Laboratory in the computer and information sciences, in keep- Laboratory for computer and information scientists from outside. 1 Laboratory’s main bridges to the academic community in the Institute for Scientific Computing form of collaborative subcontracts, visiting faculty, student Research Fiscal Year 2002 internships, workshops, and an active seminar series. ISCR research participants are integrated into the Laboratory’s Director’s Report Computing and Applied Research (CAR) department, especially into its Center for Applied Scientific Computing (CASC). arge-scale scientific computation, and all of the disci- These organizations, in turn, address computational challenges Lplines that support it and help to validate it, have been arising throughout the Laboratory. Administratively, the ISCR placed at the focus of Lawrence Livermore National flourishes under the Laboratory’s University Relations Program Laboratory by the Advanced Simulation and Computing (ASCI) (URP). Together with the other Institutes of the URP, it navi- program and more recently by DOE’s Scientific Discovery gates a course that allows the Laboratory to benefit from aca- through Advanced Computing (SciDAC) initiative. The demic exchanges while preserving national security. While it is Laboratory operates computers with among the highest peaks of difficult to operate an academic-like research enterprise within performance in the world and has undertaken some of the the context of a national security laboratory, the results declare largest and most compute-intensive simulations ever performed. the challenges well met and worth the continued effort. Energy Secretary Spencer Abraham announced in November 2002 the awarding to the Laboratory of two future machines, Fiscal year 2002 was the third full year under Acting Director each of which is expected to be at the time of their delivery the David Keyes. Keyes, the Richard F. Barry Professor of world’s most capable. However, computers at architectural Mathematics & Statistics at Old Dominion University and an extremes are notoriously difficult to use efficiently. Furthermore, ISCR faculty participant since October 1997, dedicated one- each successful terascale simulation only points out the need for third of his time to the technical program of the ISCR. Dr. much better ways of interacting with the resulting data. James McGraw assumed a critical role as the Deputy Director of the ISCR, just in time for a major expansion ISCR Visitor Program of its programs and accountabilities stem- ming from new support responsibilities 250 within CAR. Linda Bodtker came aboard as Students the full-time Institute Administrator. Emma 200 Seminars Visitors Horcabas and Leslie Bills also assisted with Visits the large visitor and summer programs. 150 In May 2002, the ISCR relocated from its 100 offices in the Building 451 complex, where staff and visitors were interspersed with their administrative sponsors and research collabo- 50 rators, to newly renovated space in the east wing of Building 219. There, it joined the 0 CY97 CY98 CY99 CY00 CY01 CY02 other institutes of the University Relations Program. While in some ways this move car- Advances in scientific computing research have therefore never ried disadvantages that require more effort on the part of every- been more vital to the core missions of the Laboratory than
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