Open%20Science%20Grid

1
Open Science Grid
70 member institutions
30 Virtual Organizations

Marcia TeckenbrockFermilab Computing
Divisionmarcia_at_fnal.gov Supercomputing, Austin,
Texas November 19 20, 2008
120 million computation hours
since August 2007
14 partnerships
2
Biochemistry
Scientists study the interactions between
proteins and water to understand how water
mediates drug-protein interactions. Their
findings may have a significant impact on the way
future drugs are designed.
X-ray crystallography reveals one water molecule
(red sphere) near the protein residue of interest
(shown in the box). Image courtesy of Johns
Hopkins University
3
Ana Damjanovic, of the National Institutes of
Health Johns Hopkins University uses the
Harvard-developed CHARMM application to model
the structure and behavior of molecular
systems.
4
Im running many different simulations to
determine how much water exists inside proteins
and whether these water molecules can influence
the proteins, Damjanovic says.  OSG experts
also helped Ana and her team develop easy-to-run
workflow software for submitting jobs to the
grid. The researchers were able to focus on
science, not on the grid infrastructure.
5
Molecular Dynamics
Scientists are studying proteins in order to
design good proteins that can mitigate bad,
disease-promoting proteins. This could lead to
new treatments and eventually cures for serious
diseases, such as diabetes, Alzheimer's, HIV/AIDS
and many cancers. 
Image courtesy of Brian Kuhlman, University of
North Carolina Chapel Hill
6
Brian Kuhlman, Head of the Kulhman Laboratory in
the UNC School of Medicine, is one such
scientist. He uses the Rosetta application to
sample different combinations of amino acid
sequences and the proteins they form.
7
Kuhlmans small research lab is not able to
muster the necessary 3,000 CPU hours that is
consumed across 10,000 compute jobs for each
protein in order to analyze the thousands of
different ways it might fold, but with OSG, it
can. Kuhlman has not yet designed his good
protein, but hes closer than ever Weve
improved protein stability and binding affinity,
he says. OSG has helped Kulhman come a step
closer to mitigating disease-causing proteins.
A computationally designed protein that can
switch its structure depending on its
environment. Image courtesy of Brian Kuhlman,
UNC Chapel Hill
8
Coastal Modeling
Heavy precipitation and stormy weather known as
convective precipitation occurs during spring,
summer and early fall as sea breezes combine with
mountainous terrain. This type of precipitation
is difficult to predict and requires fine-scale
atmospheric modeling.
Image courtesy of Weather Research and
Forecasting system
9
Brian Etherton and his colleagues in the
Department of Meteorology at the University of
North Carolina Charlotte are increasing the
accuracy of these storm predictions. They use
the Weather Research and Forecasting (WRF)
system, a next-generation numerical weather
predication system, to model space over the
Carolinas under different physical conditions.
10
The OSG is being used to run ensembles of 16
different climate models to more accurately
predict convective precipitation. The ensembles
are differentiated by start time and a variety of
physical parameterizations, such as air/surface
exchanges of heat and moisture. The result is
a far more accurate forecast than a single model.
Image courtesy of Weather Research and
Forecasting system
11
Gravitational-wave Physics
Scientists at the Laser Interferometer
Gravitational-Wave Observatory (LIGO) are trying
to detect ripples in the fabric of space and
time. It is thought that far-off astronomical
events, such as the collision of two neutron
stars, will produce these ripples. Their
characteristics will give us detailed information
about the event that took place.
Image courtesy of LIGO
12
Britta Daudert is the head of the LIGO-Grid
application team at Caltech. She workson porting
the Einstein_at_Home application, and others to the
OSG. E_at_H uses available computing cycles from
contributing members to help process LIGO
detector data.
13
The OSG provides Britta with the compute cycles
she needs to test these applications, making them
work in a grid environment, thus increasing the
compute power available for analyzing
gravitational wave data.
Screensaver for the Einstein_at_Home project
member.Image courtesy of LIGO Scientific
Collaboration
14
High-energy Physics
Scientists study elementary particle collisions
at high energies in order to understand their
characteristics. The results from such
experiments improve our understanding of
elementary particle theories, the origins of dark
matter, and other mysteries of the universe.
15
Jim Shank Boston University,US ATLAS
Collaboration
Lothar BauerdickFermilabUS CMS Collaboration
Members of the LHC collaborations ATLAS and CMS
use OSG to analyze their immense amount of data
in order to obtain their results, relying on the
OSG as the US infrastructure on which the
Worldwide LHC Computing Grid (WLCG) depends.
16
OSG provides ATLAS and CMS with more than 30 of
their worldwide processing cycles and is ready
for data-taking. In Year 1 of OSG operations, 4
PB of data were moved for CMS for distributed
tests between Tier-0, Tier-1 and Tier-2 sites.
ATLAS moved more than 30 TB. Both experiments
stored over 10 PB of data across 7 storage
sites in 2006 2007.
The Remote Operations Center at Fermilab
interfaces with the LHC experiments at CERN.
17
The Tevatron experiments at Fermilab, CDF and D0
have also made extensive use of the OSG. These
experiments analyze data and run simulations.
Comparisons between the two help to detect new
phenomena. Currently, the experiments are racing
to discover the Higgs bosonthe particle that
could help explain dark matter, dark energy and
why particles have mass.
18
Recently, CDF and D0 have combined their results
and with the help of OSG, they have narrowed the
expected range of the mass of the mass of the
Higgs. This means they are even closer to
finding the elusive particle. Rare particles
and phenomena require more data, which in turn,
requires more processing power that the OSG can
provide. In 2007, OSG provided 300,000
CPU-hours to DZero for one of the most precise
measurements to date of the mass of the top
quark In 2006, OSG helped CDF experimenters
precisely measure how fast quarks in the Bs
particle switched between their matter and
antimatter states.
19
Scientists continue to make use of the OSG as a
tool to explore new avenues of research.