The Energy Research Supercomputer Users' Group (ERSUG) will meet at the Holiday Inn, Crowne Plaza in Rockville, MD on July 11-12, 1994. In the past, this meeting has combined presentations describing work-in-progress at NERSC with lively user discussions in the areas of the services and capabilities provided by NERSC. For this particular meeting, however, the focus will change somewhat. First, more emphasis will be put on future services, and second, the ERSUG meeting will be combined with the Energy Research Power Users Symposium (ERPUS). The session dedicated to ERPUS will occur on the second day of the two day ERSUG meeting and will be devoted to user presentations describing results obtained through the Special Parallel Processing (SPP) program at NERSC, as well as results obtained through use of other DOE high-performance systems.
The general theme of the first day of the ERSUG meeting will be the realized and projected improvements in the NERSC computing environment as well as on some remaining bottlenecks inhibiting most efficient access to system resources. A report from the committee to study options for controlling disk space usage will be part of a discussion of integrating host disk systems with AFS and archival storage at NERSC. There will be a progress report from ESNet and a detailed report on the transition to X-windows as a baseline standard for our users as we move into an era in which vendor software is driven by, and only compatible with, X-based standards.
Also on the first day, a new program initiated by the Office of Scientific Computing to arrange for Massively Parallel (MP) computing access will be described. NERSC Principal Investigators are now applying for access to parallel computers at the High Performance Research Supercomputer Centers at Los Alamos and Oak Ridge and to the Livermore T3D. Such access will allow scientists to develop applications in anticipation of the arrival of the NERSC MP system. Following this will be an update on the status of the NERSC procurement and a discussion of the anticipated impact that the transition will have on our users. This will include an approach for addressing the capacity-capability antithesis, not only during the transition period, but also beyond.
Since the meeting is dominated by what is about to happen rather than by what has happened, the NERSC staff will prepare a number of short documents describing recent progress and the status of critical areas. These will have to substitute for detailed presentations and will include topics such as the Energy Research Decision Package (ERDP), Centralized User Bank (CUB), etc.
We expect this meeting to be very stimulating; its focus on the present will be on extracting the maximum out of existing resources, and the focus on the future will be on planning a feasible and realistic path to effective use of new technologies. In this journey, the major constraints will be to find a reasonable path for all of our users regardless of their computing requirements, since good science is not always the biggest science...
Agenda for the ERSUG meeting and ERPUS session
Monday, July 11, 1994
8:30 Welcoming Remarks - Jack Byers
8:40 Welcome from Washington - John Cavallini
8:45 Washington View - Tom Kitchens
9:05 Production Systems Plans - Moe Jette and Rick Kendall
New storage usage paradigms
Disk reconfiguration committee report
CUB plans
10:05 BREAK
10:15 ESnet Plans - Jim Leighton
Backbone upgrade
Network services
11:00 X-windows: How To Get From Here To There - Barry Howard and
Alice Koniges
12:00 LUNCH (ExERSUG meeting)
1:30 SPP Project Status and Plans for 1995 - Bruce Curtis and Tom Kitchens,
Jack Byers
Who are the participants?
A survey of current attained efficiencies
SPP in 1995
Discussion of capacity and capability: the balance in 1995
2:15 MPP Procurement Status - Michel McCoy
2:45 BREAK
3:00 Transition to Parallel Computing - Tammy Welcome and Steve Louis
Access to the HPCRCs and to the LLNL T3D
Capacity and capability solutions for 1996 and beyond
Storage expands to meet demands
4:00 R and D: Tracking the Computational Explosion - Alice Koniges
4:20 Open Discussion
5:00 Adjourn
Tuesday, July 12, 1994
8:30 NERSC's Role as a High Capability Computing Resource - Bill McCurdy
ERPUS Session
User presentations describing results obtained through the Special Parallel
Processing (SPP) program at NERSC, as well as results obtained through use
of other DOE high-performance systems
9:20 "Recent Progress on Lattice QCD with MIMD Parallel Computers"
Claude Bernard, Washington University
9:40 "Understanding Tokamak Gyrofluid Turbulence Through Visualization"
Gary Kerbel, NERSC
10:00 "Parallelization of Quantum Chemistry Codes" - Al Wagner, ANL
10:20 BREAK
10:40 "Global Ocean Modeling" - Bob Malone, LANL
11:00 "Adaptive Methods for Computational Fluid Dynamics"
Philip Colella, UC Berkeley
11:20 "Recent Results of Lattice QCD Simulations"
Stephen Sharpe, University of Washington
11:40 "Tokamak Plasma Turbulence Simulations" - Greg Hammett, PPPL
12:00 LUNCH
13:20 "Electronic Structure of Organic Superconductors" - Dale Koelling, ANL
13:40 "Benchmark Ab Initio Molecular Dynamics Simulations of Partially
Solvated Cations" - Rick A. Kendall, PNL
14:00 "Molecular Views of Damaged DNA: Adaptation of the Program DUPLEX to
Parallel Architectures" - Brian Hingerty, ORNL
14:20 "High Performance Computing for Beam Physics Applications"
Robert Ryne, LANL
14:40 "Parallel Plasma Fluid Turbulence Calculations" - Jean-Noel Leboeuf, ORNL
15:00 "Nuclear Structure from Lattice QCD" - K.-F. Liu, Univ. of Kentucky
ERPUS PRESENTERS
Claude Bernard
Department of Physics, CB1105
Washington University
St. Louis, MI
cb@wuphys.wustl.edu Phone: (314)-935-6280
(805)-893-2742 (until 6/28/94)
Philip Colella
Department of Mechanical Engineering
Univ. of California/Berkeley
pcolella@euler.berkeley.edu
Greg Hammett
Princeton Plasma Physics Laboratory
P. O. Box 451
Princeton, NJ 08543
hammett@pppl.gov Phone: (609)-243-2495
Brian Hingerty
Health Sciences Res. Div.
Oak Ridge National Laboratory
P.O. Box 2009
Mail Stop 8077, Oak Ridge, TN 37831
beh@ornl.gov Phone: (615)-574-0844
Rick A. Kendall
Mail Stop K1-90
High Performance Computational Chemistry Group
Pacific Northwest Laboratory
Richland, WA 99352-0999
d3e129@cagle.pnl.gov (Rick A Kendall) Phone: (509)-375-2602
Gary Kerbel
Lawrence Livermore National Laboratory
NERSC L-561
Livermore, CA 94550
gdk@kerbel.nersc.gov Phone: (510)-422-4227
Dale Koelling
223-B125
Argonne National Laboratory
9700 South Cass Avenue
Argonne, IL 60439
koelling@anl.gov Phone: (708)-252-5507
After August 1, 1994:
Division of Materials Sciences, ER-132, U.S. Department of Energy
Washington, DC 20585 Phone: (301)-903-3426
Jean-Noel Leboeuf
Fusion Energy Div.
Oak Ridge National Laboratory
P.O. Box 2009
Mail Stop 8071, Oak Ridge, TN 37831
leboeuf@fedc04.fed.ornl.gov Phone: (615)-574-1127
K.-F. Liu
Department of Physics and Astronomy
Univ. of Kentucky
Lexington, KY 40506
liu@ukcc.uky.edu Phone: (606)-257-4849
Bob Malone
Los Alamos National Laboratory
ACL Mail Stop B287
Los Alamos, NM 87545
rcm@lanl.gov Phone: (505)-665-4530
Robert Ryne
Mail Stop H817
Los Alamos National Laboratory
Los Alamos, NM 87545
ryne@lanl.gov Phone: (505)-667-8111
Stephen Sharpe
Department of Physics
University of Washington
Seattle, WA
sharpe@galileo.phys.washington.edu
Al Wagner
Argonne National Laboratory
Bldg 200 R105
Argonne, IL 60439
wagner@tcg.anl.gov Phone: (708)-252-3597