ors with memory have passed initial testing in a single Cray-3 quadrant as part
of the Cray-3/SSS (Super Scalable System), a joint venture between NSA and Cray
Computer Corporation.
Specialized Very High Performance Architectures
s using a 128-processor Intel Paragon at Caltech's Concurrent Supercomputing
Consortium. The axes are file open duration, file seek duration, and file read
duration. The locations of the octahedra are the current values of each
processor's performance metric. History ribbons show the last N positions for
three select octahedra (red is most recent). The Pablo software was used to
produce this image.
Unstructured Mesh Computation With PUMAA3D
hat arise in simulating layered high temperature superconductors.
Handling Irregular Data With CHAOS
library. Key portions of CHARMM have been automatically parallelized using an
enhanced version of the Fortran D compiler.
orkstation screen without false crossings was developed at the Supercomputing
Research Center.
Vis5D
and a horizontal slice with iso-lines of nitric acid over a topographic map of
the Eastern U.S. The icons on the left give the user interactive control over
the three-dimensional images as they are animated. Vis5D makes this interactive
exploration possible by compressing data sets to fit in workstation memories.
Vis5D has been used for experiments over the Blanca Gigabit Testbed and has
been adapted to run in the virtual reality CAVE (described above); it is freely
available over the Internet.
Technologies for the National Information Infrastructure
Nile Project, Video Conferencing)
e of compression systems, while providing increased stall margins. A Cray
Research C-90, IBM SP-1, and IBM workstation cluster were used to formulate and
develop this model.
Coupled Field Problems and GAFD Turbulence
high stress are red; areas of low stress are blue.
Combustion Modeling: Adaptive Grid Methods
ces the rate of combustion, resulting in a self-sustaining, large-scale
oscillation. The figure shows the injection phase when the pressure in the
combustion chamber is low. Fuel enters the chamber, hits the stagnation plate
and becomes entrained by a vortex ring formed by flow separation at the edge of
the splash plate. Researchers are developing computational models to study the
interplay of vortex dynamics and chemical kinetics and will use their results
to improve pulse combustor design.
Numerical Tokamak Project
ve mesh techniques. The boundary is aligned with the magnetic field that shears
around the torus. The strip in the torus is aligned with the local magnetic
field and is color mapped with the local electrostatic potential. The yellow
trajectory is the gyrating orbit of a single ion.
Meso- to Macro-Scale Environmental Modeling
ch the national ozone standard of 120 parts per billion (ppb) are exceeded.
Measurement data corroborate these predictions. Scientific studies have shown
that human exposure to ozone concentrations at or above the standard can impair
lung functions in people with respiratory problems and can cause chest pain and
shortness of breath even in the healthy population. This problem raises concern
since more than 30 urban areas across the country still do not meet the
national standard.
Distributed Computational System for Large Scale Environmental Modeling
ch the national ozone standard of 120 parts per billion (ppb) are exceeded.
Measurement data corroborate these predictions. Scientific studies have shown
that human exposure to ozone concentrations at or above the standard can impair
lung functions in people with respiratory problems and can cause chest pain and
shortness of breath even in the healthy population. This problem raises concern
since more than 30 urban areas across the country still do not meet the
national standard.
Cross-Media (Air and Water) Linkage
tion across the Eastern U.S. Three air and water models are linked together for
cross-media modeling of the Chesapeake Bay. Atmospheric nitrogen deposition
predicted by the atmospheric model (right) is the input load to the watershed
model and the three- dimensional Bay model. The watershed model (lower left)
delivers nitrate loads from each of the water basins to the three- dimensional
Bay model (upper left).
Global Climate Modeling
ing a steady one percent per year increase in atmospheric carbon dioxide to the
time of doubled carbon dioxide. The surfaces in the ocean show the depths of
the 1.0 and 0.2 degree (Celsius) temperature changes. The Southern Hemisphere
shows much less surface warming than the Northern Hemisphere. This is caused
primarily by the cooling effects of deep vertical mixing in the oceans south of
45 degrees South latitude. Coupled ocean-atmosphere climate models such as this
one from NOAA/GFDL help improve scientific understanding of potential climate
change.
4-D Data Assimilation
nce Grand Challenge.
Eco Simulations
the 389-atom zeolite system on the right was produced by a recent simulation.
Computational complexity effectively grows as the cube of the number of atoms,
implying a thousand fold increase in computational power between the two
images.
The Quake Project
ting system, one processor to a color. The lower image shows the response of
the valley as a function of frequency and position within the valley. It is
well known that the response of a building to an earthquake is greatest when
the frequency of the ground motion is close to the natural frequency of the
building itself. These results show that damage can vary considerably depending
on building location and frequency characteristics. Obtaining this kind of
information for large basins such as the Greater Los Angeles Basin requires
high performance computing.
Land Cover Dynamics
Grand Challenge result, on the left, was produced using a new parallel
algorithm and is a much more accurate estimate of mixture proportions than the
least squares algorithm traditionally employed by environmental scientists.
lustrate the potential of new parallel computing methods. They show the
location of a minor capsid protein called VP26 as mapped in experiments in
which VP26 was first extracted from purified capsids by treatment with
guanidine hydrochloride and then rebound to the capsids. The right half of the
top image shows the depleted capsid and the rebound VP26 capsid, and the left
half shows the three-dimensional reconstruction, as it would be obtained with a
conventional sequential computer. Parallel computing extended the analysis to
obtain the lower images, which improved the signal-to- noise ratio and the
resolution from approximately 3.5 to under 3.0 nanometers. The clusters of six
VP26 subunits, shown together in the top image, are clearly resolved in the
bottom image. This work was conducted at NIH in collaboration with the
University of Virginia.
Molecular Biology
ck door' to the active site is thought be at the spot where the field lines
extend toward the top of the picture.
Biomolecular Modeling and Structure Determination
ure is the best selection from a large ensemble of candidate chains, generated
on a fcc (face-centered cubic) lattice using a guided replication Monte Carlo
chain generation algorithm. Development of the algorithm and its serial and
parallel implementations was funded by the HPCC Program. The three-dimensional
structure prediction procedure was benchmarked at about 6 minutes on a 500-
node Intel Paragon versus 24 hours on a single-processor IBM RS6000
workstation, a 225-fold speedup.
Computational Methods for Enzyme Catlysis
his enzyme, which makes it an ideal candidate for verifying new modeling
methods.
Cognition
analysis.
Fundamental Computaitonal Sciences
lation involving 16 million highly clustered particles that required load
balancing on a massively parallel computing system. Many particles are required
to resolve the formation of individual galaxy halos seen here as red/white
spots.
Grand-Challenge-Scale Applications
in complexation are displayed by large spheres. The negatively charged amino
acids are in red and the positively charged ones in blue. The small spheres
highlight other charged residues in the antibody fragment and hen-egg lysozyme.
A Realistic Ocean Model
odeling, the Gulf Stream turns left past Cape Hatteras, clinging to the
continental shoreline. In this simulation, however, the Gulf Stream veers off
from Cape Hatteras on a northeast course into the open Atlantic, following
essentially the correct course.
Drag Control
indicate that the reduction of fluctuations near the wall with riblets
(bottom) results in a six percent drag reduction in this geometry.
Impact of Turbulence on Weather/Climate Prediction
s indicate areas of vorticity that have stabilized within the volume after a
specified period of time. The colors correspond to potential vorticity, with
large positive values being blue, large negative values being red, and values
near zero being transparent.
Shoemaker-Levy 9 Collision with Jupiter
housands of degrees Kelvin (red), several times the temperature of the sun, to
hundreds of degrees Kelvin (blue).
Vortex Structure and Dynamics in Superconductors
of high- Tc superconducting material, which is imbedded in a normal metal, and
the formation of a magnetic flux vortex. The red surface is an isosurface for
the magnetic induction. The isosurface follows the top and bottom of the
superconducting strip (not shown). The field penetrates from the left and right
sides. Thermal fluctuations cause "droplets" of magnetic flux to be formed in
the interior of the strip. As time progresses, these droplets may coalesce into
vortices. One vortex is being spawned from the left sheet of the isosurface.
These computations were done on Argonne's IBM SP system.
Molecular Dynamics Modeling
ulation exhibits realistic phenomena such as amorphization near the surface and
the channeling of some impacting atoms. These snapshots show the atoms
displaced from their crystal positions (damaged areas) and the top layer
(displayed in gray) at times 92 and 277 femtoseconds (10-15 seconds) after the
first impact.
Advanced Simulation of Crash Simulation
rs moving at 35 mph shown here. The Taurus model is detailed; the results are
useful in understanding crash dynamics and their consequences. These results
were obtained using parallel DYNA-3D software developed at Oak Ridge. Run times
of less than one hour on the most powerful machine are expected.
Advanced Simulation of Chemically Reacting Flows
imulations such as these allow designers to produce higher uniformity
semiconductor materials by eliminating unwanted detrimental effects such as
fluid recirculation.
Convective Turbulence and Mixing in Astrophysics
ing a convectively stable layer (lower half) within the deep interior of a
Sun-like star. This simulation was performed on the Argonne IBM SP-1.
National Challenge Applications
uently used in the radiation dose calculation in place of the source image. The
beam specifies the path of the central ray, width, placement, and the presence
of a blocking wedge.
Functional Neurological Image Analysis
scan using the tie-points identified by the squares. The warped image is shown
at right. This work was conducted at NIH's National Institute of Mental Health.
Collaboratory for Microscopic Digital Anatomy (CMDA)
n view, (2) cross-hairs identifying the current position of the microscope
stage (which can be changed remotely), and (3) a red- green stereo view of the
three-dimensional volume derived from acquired data.
Manufacturing Processes and Products
ototype facility was simulated to provide for real-time views into the factory
control system database and to simulate manufacturing data access by multiple
users.
HPCC: The Business Outlook