1
e-Science Gap Analysis
30 June 2003Geoffrey Fox, Indiana University David Walker, Cardiff University
Part I: Introduction and Summary..................................................................................... 6
1
Executive Summary...................................................................................................... 6
2
Introduction................................................................................................................... 7
2.1
Charge.............................................................................................................................. 7
2.2
Process............................................................................................................................ 7
2.3
Overview of Report......................................................................................................... 7
2.4
Findings........................................................................................................................... 9
2.4.1
Projects Surveyed (sections 3 and 4).................................................................................... 9
2.4.2
Grid Technology (section 5)................................................................................................... 9
2.4.3
Grid Functions and Styles (section 6) ................................................................................. 10
2.4.4
Gaps in Grid Styles and Functionalities (section 8.1) ........................................................ 10
2.4.5
Gaps in e-Science Runtime and Hosting Environment (section 8.2)................................. 10
2.4.6
Gaps in Security (section 8.3) .............................................................................................. 10
2.4.7
Gaps in Workflow (section 8.4) ............................................................................................ 10
2.4.8
Gaps in Notification Service (section 8.5) ........................................................................... 11
2.4.9
Gaps in Meta-data and Semantic Grid (section 8.6)............................................................ 11
2.4.10
Gaps in Information Grid Technology (section 8.7)............................................................ 11
2.4.11
Gaps in Compute/File Grids (section 8.8)............................................................................ 11
2.4.12
Gaps in other Grid Technology (section 8.9) ...................................................................... 11
2.4.13
Gaps in Portals and Problem Solving Environments (section 8.10).................................. 11
2.4.14
Gaps in Grid-Network Interface (section 8.11).................................................................... 11
2.4.15
Education and Support Gaps (section 9) ............................................................................ 11
2.4.16
Research Gaps (section 10).................................................................................................. 11
2.4.17
Perception and Organizational Issues and Gaps (section 11)........................................... 11
2.5
Summary of Discussion in Sections 7, 8 and Appendix ........................................... 13
2.5.1
Topics 1-6: Grid Types to Meta-data Services .................................................................... 13
2.5.2
Topics 7 to 11: Information Grid Services to Network Services........................................ 14
Part II: e-Science and its Technologies.......................................................................... 15
3
e-Science..................................................................................................................... 15
3.1
Particle Physics EDG and GridPP............................................................................... 15
3.2
AstroGrid ....................................................................................................................... 15
3.3
NERC DataGrid.............................................................................................................. 16
3.4
DiscoveryNet................................................................................................................. 16
3.5
myGrid............................................................................................................................ 16
3.6
Comb-e-Chem................................................................................................................ 17
3.7
RealityGrid..................................................................................................................... 17
4
e-Business, e-Government, and e-Services ............................................................ 17
4.1
Campus Grids................................................................................................................ 18
4.2
Military and defence grids............................................................................................ 18
4.3
Capital Radio Grid......................................................................................................... 18
4.4
Bioinformatics Grids..................................................................................................... 19
4.5
Distributed Aircraft Maintenance Environment (DAME)............................................ 19
4.6
Grid Enabled Optimisation and Design Search for Engineering (Geodise) ............ 19
2
5
Grid and Cyberinfrastructure Technologies............................................................ 21
5.1
Basic architecture Principles....................................................................................... 21
5.2
Meta-data Rich Web Services Communicating by Messages................................... 21
5.3
Level 1: Hosting Environments.................................................................................... 21
5.4
OGSA and Level 2: OGSI Open Grid Service Infrastructure..................................... 22
5.5
Level 3: Permeating Principle and Policies................................................................ 22
5.6
Levels 4, 5, and 6: System and Application Grid services........................................ 24
5.7
Grid Technology Suites................................................................................................ 24
6
Functionalities and Styles of Grids .......................................................................... 24
6.1
Introduction...................................................................................................................24
6.2
Compute/File Grids....................................................................................................... 26
6.3
Desktop Grids................................................................................................................ 26
6.4
Information Grids.......................................................................................................... 26
6.5
Complexity Grids .......................................................................................................... 27
6.6
Campus and Enterprise Grids ..................................................................................... 28
6.7
Grid Characteristics...................................................................................................... 28
7
Status of e-Science Service Development............................................................... 29
7.1
Types of Grid................................................................................................................. 30
7.2
Core Infrastructure and Hosting Environment........................................................... 31
7.3
Security Services.......................................................................................................... 32
7.4
Workflow Services and Programming Model............................................................. 33
7.5
Notification Services..................................................................................................... 36
7.6
Registry, Metadata and Information Services ............................................................ 37
7.6.1
Introduction ........................................................................................................................... 37
7.6.2
Basic metadata including Registry...................................................................................... 38
7.6.3
Information Aggregation Web Services............................................................................... 39
7.6.4
Semantically rich Services and Ontologies......................................................................... 39
7.6.5
Provenance............................................................................................................................ 40
7.7
Information Grid Services............................................................................................ 40
7.8
Compute/File Grid Services......................................................................................... 41
7.8.1
Planning and Management................................................................................................... 41
7.8.2
Scheduling............................................................................................................................. 42
7.8.3
Access to Remote Computers.............................................................................................. 42
7.8.4
Managing Job Submission................................................................................................... 42
7.8.5
Compute/File Grid Shell: Data Transfer............................................................................... 42
7.8.6
File and Storage Access....................................................................................................... 43
7.8.7
Replica Management and Caching Technology.................................................................. 43
7.8.8
Virtual Data ............................................................................................................................ 43
7.8.9
Parallel Computing................................................................................................................ 43
7.8.10
Job Status.............................................................................................................................. 43
7.9
Other Grid Services ...................................................................................................... 43
7.9.1
Grid Shell ............................................................................................................................... 43
7.9.2
Accounting and Grid Economies......................................................................................... 43
7.9.3
Fabric Management............................................................................................................... 44
7.9.4
Visualization Datamining and Computational Steering...................................................... 44
7.9.5
Collaboration......................................................................................................................... 44
7.9.6
Packaging .............................................................................................................................. 45
7.9.7
Other Technologies............................................................................................................... 45
7.10
Portal Services and Problem Solving Environments................................................. 45
7.11
Network Services.......................................................................................................... 46
7.11.1
Network Performance, Monitoring and Information Systems............................................ 46
7.11.2
Network Services and Operations ....................................................................................... 47
7.11.3
Network Reservation............................................................................................................. 47
3
Part III: Gap Analysis........................................................................................................ 48
8
Grid Technology Gaps............................................................................................... 48
8.1
Different Types of Grids and their Federation............................................................ 48
8.1.1
Introduction ........................................................................................................................... 48
8.1.2
Summary of Gaps.................................................................................................................. 48
8.1.3
Jini.......................................................................................................................................... 49
8.1.3.1
Grid Prototypes Based on Jini.........................................................................................49
8.1.3.2
Jini in Agent-Based Grids................................................................................................49
8.1.4
JXTA....................................................................................................................................... 50
8.1.4.1
Critique of JXTA for Building Peer-to-Peer Grids............................................................50
8.1.4.2
Use of JXTA in a Grid for Capital Radio Group...............................................................51
8.1.4.3
JXTA GAT Binding for the Triana Project........................................................................51
8.1.5
.NET........................................................................................................................................ 52
8.1.5.1
Overview of .NET............................................................................................................52
8.1.5.2
Grid Middleware Based on .NET.....................................................................................52
8.1.6
Grids and Virtual Private Networks...................................................................................... 52
8.1.7
Grid Federation...................................................................................................................... 53
8.1.8
Dynamic Configuration (Autonomic Computing) ............................................................... 54
8.2
e-Science Runtime and Hosting Environment ........................................................... 55
8.2.1
Introduction ........................................................................................................................... 55
8.2.2
Summary of Gaps.................................................................................................................. 56
8.2.3
Selected Snapshots of Current Activities ........................................................................... 56
8.2.3.1
Invocation Framework from IT Innovation.......................................................................56
8.2.3.2
ICENI From Imperial College..........................................................................................57
8.2.3.3
Messaging Infrastructure.................................................................................................58
8.2.3.4
Lightweight Middleware...................................................................................................58
8.3
Security Infrastructure.................................................................................................. 59
8.3.1
Introduction ........................................................................................................................... 59
8.3.2
Summary of Gaps.................................................................................................................. 59
8.3.3
Current Globus and related (EDG GriPhyn Condor) Technology...................................... 60
8.3.4
Possible Future Projects ...................................................................................................... 60
8.3.4.1
Harden VOMS from EDG................................................................................................60
8.4
Workflow........................................................................................................................ 61
8.4.1
Introduction ........................................................................................................................... 61
8.4.1.1
Workflow representation and composition.......................................................................61
8.4.1.2
Workflow enactment (Compilation and Execution)..........................................................62
8.4.2
Summary of Gaps.................................................................................................................. 62
8.4.3
Selected Snapshots of Current Activities ........................................................................... 62
8.4.3.1
Workflow at Southampton...............................................................................................62
8.4.3.2
Workflow at Newcastle....................................................................................................62
8.4.3.3
Workflow at Cardiff..........................................................................................................63
8.4.3.4
Workflow at IT Innovation................................................................................................63
8.4.4
Possible Future Projects ...................................................................................................... 64
8.4.4.1
Newcastle Workflow Engine............................................................................................64
8.5
Notification Service....................................................................................................... 64
8.5.1
Introduction ........................................................................................................................... 64
8.5.2
Summary of Gaps.................................................................................................................. 65
8.5.3
Selected Snapshots of Current Activities ........................................................................... 65
8.5.3.1
myGrid and Wrapped JMS (Java Message Service) at Southampton.............................65
8.5.3.2
Notification Grid Service at Newcastle............................................................................65
8.6
Meta-data and Semantic Grid....................................................................................... 66
8.6.1
Introduction ........................................................................................................................... 66
8.6.2
Summary of Gaps.................................................................................................................. 66
8.6.3
Globus Specific Gaps ...........................................................................................................67
8.6.4
Selected Snapshots of Current Activities ........................................................................... 67
8.6.4.1
UDDI Evaluation............................................................................................................67
8.6.4.2
Unicore and MDS............................................................................................................68
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