A Quick Tour of Grid Activities

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A Quick Tour of Grid Activities

• David Abramson
• Monash University
• Slides courtesy John OCallaghan, Paul Davis, etc

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DSTC
QPSF
QUT

• Network
• 10 Gbps
• IPv6
• Multicast
• DWDM POS
• low latency
• low jitter

UQ
GrangeNet POP
Brisbane
AARNet Trans Pacific link
-
DSTC
UTS
GrangeNet POP
AC3
Sydney
VisLab
ATP
AARNet
ANU
GrangeNet POP
APAC
Canberra
CSIRO
BoM
GrangeNet POP
VPAC
Melbourne
I
-
cubed
Uni
Melb
RMIT
-
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AARNets Pacific Rim Linkages
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APAC National Facility

• Computing Systems
• HP AlphaServer SC ES45 (127 nodes)
• ranked number 63 in latest TOP500 list
• Dell Linux cluster, HP Marvel
• Mass Storage
• Storagetek (robotic silo) tape library
• Capable of a petabyte (1015 bytes) of storage
• Visualisation
• visualisation virtual reality systems
• Staff
• staff at the Australian National University (ANU)

http//nf.apac.edu.au
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APAC Achievements

• The APAC partnership formed June 2000.
• The APAC National Facility operational April
  2001.
• APAC and partner facilities serviced over 1,100
  users.
• Over 110 projects supporting users and developing
  expertise in 13 computational science and
  engineering themes.
• Over 50 university courses prepared and delivered
  in computational science and engineering.
• Consortium member of GrangeNet (March 2002).

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APAC Partners

• Australian Centre for Advanced Computing and
  Communications (ac3) in NSW
• CSIRO
• Queensland Parallel Supercomputing Foundation
  (QPSF)
• Interactive Virtual Environments Centre (IVEC) in
  WA
• South Australian Partnership for Advanced
  Computing (SAPAC)
• The Australian National University (ANU)
• The University of Tasmania (TPAC)
• Victorian Partnership for Advanced Computing
  (VPAC)

Approx. A100m investment over 4 years
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Grid Services for eResearch
User Communities
Bio-informatics
Astronomy
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Physics
Environment
Collaborative Visualisation
Distributed Computing
Information Access
Cooperative Environments
On-Line Instruments
Web Services Advanced Communications Services
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Grid Services

• Distributed Computing
• Demonstrate distributed computing applications
  (Nimrod/G)
• install Globus on major computing facilities
• Collaborative Visualisation
• Connect virtual reality systems for collaboration
  
• engineering design of manufactured products
• bio-molecular modelling and visualisation
• Cooperative Environments
• Install 5 Access Grid nodes in 4 cities
• first one at Sydney VisLab for SC Global 2001
• Information Access (Digital Libraries)
• Provide access to large-scale international
  datasets
• bio-informatics, astronomy, physics, climate,
  earth observation
• On-line Instruments
• Remote access to electron microscopes
• NANO facility, Uni Sydney

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Quantum Mechanics
Classical Mechanics
VariableRegion
4-D Parameter Sweep of Effective Group
Difference Pseudopotentials Using Grid Computing
W. Sudholt, K. Baldridge, D. Abramson, C.
Enticott, S. Garic, J. Greenberg
Antigen
Light Chaing
Heavy Chain
ConstantRegion
Immunglobulin G
Scientific Methodologies
Grid Infrastructure
GEOGRAPHIC DISTRIBUTION OF JOBS DURING EXECUTION
PORTALS
Answering Key Biological Questions 1.
Effectiveness of Catalytic Antibodies 2.
Flexibility of Antibody/Antigen Systems 3.
Mechanism of action of target drug compounds.
GRID MANAGEMENT TOOLKITS
DATA MANAGEMENT VISUALIZATION
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New opportunities for Hybrid QM-Classical
Methods Novel algorithms enabled by grid
infrastructure -- TEAM APPROACH
Technology (NIMROD/GNIMROD/O)
The Science (GAMESS)
Molecular Dynamics

• Parameter Search over 4 variables
• Adapt least sq. proc. to form hypersurface
• 15,876 points
• Distribution over grid of clusters

Quantum Mechanics
Parameter of pseudopotential for MD computations
Melbourne, June, 2003
First GAMESS - NIMROD Grid demo
The Extensibility