Paper Citing NAMD - Abstract
Boghosian, Bruce; Coveney, Peter; Dong, Suchuan; Finn, Lucas; Jha, Shantenu; Karniadakis, George; Karonis, Nicholas
NEKTAR, SPICE and vortonics: Using federated grids for large scale scientific applications.
CHALLENGES OF LARGE APPLICATIONS IN DISTRIBUTED ENVIRONMENTS, PROCEEDINGS, 34-42, 2006
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-or-grids and some of the solutions devised in response.
