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SPICE is part of a joint UK/US high-end computing project
funded by the EPSRC
(grant EP/D500028/1)
and the US National Science
Foundation (NSF)
that used sophisticated grid infrastruture-
comprised of an integrated Web Services (WS)
based steering and hosting environment, along with
advanced networking capabilities to effectively utilise
the computational resources of a federated Transtlantic Grid.
Designed to facilitate novel analysis
techniques, the scientific aim of the project is to
advance the understanding of the vital translocation
process of nucleic acids (DNA) across membrane channel
pores in biological cells.
SPICE exploits high
performance resources on adminstratively-distinct
Grids -the UK's National Grid
Service (NGS) and the US's TeraGrid
to form a single federated Grid.
The UK's high bandwidth optical network
UKLight, within the ESLEA Project,
provides a semi-persistent link between the resources on the
trans-Atlantic Grid.
SPICE has been showcased at the UK e-Science
All Hands Meeting 2005,
at iGrid 2005
and at SC|05.
During SC|05, three groups worked on a shared Transatlantic Federated Grid.
All three projects - NekTAR (led by George Karniadakis, Brown University),
VORTONICS (led by Bruce Boghosian, Tufts University) and
SPICE (led by Peter Coveney, University of London) - grappled with
challenging large-scale research problems that require
grid computing to be solved.
For more information about these projects see the
press release
hosted on the TeraGrid website.
SPICE has won the HPC Analytics Challenge Award at
Super Computing 2005
The HPC Analytics
Challenge is an award competition honoring select technical and commercial applications that use leading-edge
analytics techniques to solve complex, real-world problems.
The growing need to leverage large amounts of underutilized data has
led to the use of sophisticated methods for analysis and high-end
visualization in conjunction with high performance computing,
bandwidth and networking capabilities. The HPC Analytics Challenge
is a unique opportunity for researchers, engineers and analysts to
showcase innovative techniques of rigorous data analysis
(forecasting, data mining, optimization, predictive analysis) and
high-end visualization (dynamic modeling, real-time rendering).
The EPSRC press release on SPICE at SC|05 is available here.
SPICE SC|05 double sided flyer is available here.
A demonstration video can be seen
here.
The EPSRC and NSF funded SPICE project has won the ISC Life
Sciences Award for 2006.
The award-winning paper is available here.
Publications
-
S. Jha, P. V. Coveney and M. J. Harvey,
"SPICE: Simulated Pore Interactive Computing
Environment", Proceedings of the 2005 ACM/IEEE
Conference on Supercomputing,
(2005). Available here
(pdf)
or from the ACM Portal here.
-
S. Jha, M. J. Harvey, P. V. Coveney,
N. Pezzi, S. Pickles, R. Pinning and P. Clarke,
"SPICE: Simulated Pore Interactive Computing
Environment - Using Grid
computing to understand DNA translocation across
protein nanopores
embedded in lipid membranes", UK e-Science All
Hands Meeting 2005.
Available here.
-
S. Jha, S. Wan,and P.V. Coveney,
"Computing free energies for `real' systems
using molecular
dynamics simulations", Capability Computing, the
Newsletter of the
HPCx community, 6, 8-10, (2005).
Available here.
-
B.M. Boghosian, P.V. Coveney, S. Dong, L.I.
Finn, S. Jha, G. Karniadakis and N. Karonis,
"Nektar, SPICE and Vortonics: Using Federated
Grids for Large Scale Scientific Applications",
(2006).
Available here.
-
S. Jha, P.V. Coveney and M. J. Harvey,
'SPICE: Simulated Pore Interactive Computing
Environment - Using Federated Grids for
"Grand Challenge" Biomolecular Simulations',
International Supercomputer Conference 2006.
Available here.
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