NAMD2: greater scalability for parallel molecular dynamics
Journal of Computational Physics - Special issue on computational molecular biophysics
Multivariate geographic clustering in a metacomputing environment using Globus
SC '99 Proceedings of the 1999 ACM/IEEE conference on Supercomputing
Proceedings of the 2001 ACM/IEEE conference on Supercomputing
Exploiting Hierarchy in Parallel Computer Networks to Optimize Collective Operation Performance
IPDPS '00 Proceedings of the 14th International Symposium on Parallel and Distributed Processing
MPICH-G2: a Grid-enabled implementation of the Message Passing Interface
Journal of Parallel and Distributed Computing - Special issue on computational grids
High-resolution remote rendering of large datasets in a collaborative environment
Future Generation Computer Systems - iGrid 2002
NIST Net: a Linux-based network emulation tool
ACM SIGCOMM Computer Communication Review
Scientific Grid Computing: The First Generation
Computing in Science and Engineering
SPICE: Simulated Pore Interactive Computing Environment
SC '05 Proceedings of the 2005 ACM/IEEE conference on Supercomputing
The TeraGyroid experiment -- Supercomputing 2003
Scientific Programming
The grid: Analysis of basic principles and ways of application
Programming and Computing Software
Investigating autonomic behaviours in grid-basedcomputational science applications
GMAC '09 Proceedings of the 6th international conference industry session on Grids meets autonomic computing
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In response to a joint call from US's NSF and UK's EPSRC for applications that aim to utilize the combined computational resources of the US and UK, three computational science groups from UCL, Tufts and Brown Universities teamed up with a middleware team from NIU/Argonne to meet the challenge. Although the groups had three distinct codes and aims, the projects had the underlying common feature that they were comprised of large-scale distributed applications which required high-end networking and advanced middleware in order to be effectively deployed. For example, cross-site runs were found to be a very effective strategy to overcome the limitations of a single resource.The seamless federation of a grid-of-grids remains difficult. Even if interoperability at the middleware and software stack levels were to exist, it would not guarantee that the federated grids can be utilized for large scale distributed applications. There are important additional requirements for example, compatible and consistent usage policy, automated advanced reservations and most important of all co-scheduling. This paper outlines the scientific motivation and describes why distributed resources are critical for all three projects. It documents the challenges encountered in using a grid-of-grids and some of the solutions devised in response.