Computer simulation of liquids
Computer simulation of liquids
The grid: blueprint for a new computing infrastructure
The grid: blueprint for a new computing infrastructure
Condor-G: A Computation Management Agent for Multi-Institutional Grids
Cluster Computing
High Performance Parametric Modeling with Nimrod/G: Killer Application for the Global Grid?
IPDPS '00 Proceedings of the 14th International Symposium on Parallel and Distributed Processing
Self adaptivity in Grid computing: Research Articles
Concurrency and Computation: Practice & Experience - Grid Performance
Concurrency and Computation: Practice & Experience - Grid and Cooperative Computing (GCC2004)
Concurrency and Computation: Practice & Experience - Selected Papers from the 2004 U.K. e-Science All Hands Meeting (AHM 2004)
Standardization of an API for Distributed Resource Management Systems
CCGRID '07 Proceedings of the Seventh IEEE International Symposium on Cluster Computing and the Grid
User-friendly and reliable grid computing based on imperfect middleware
Proceedings of the 2007 ACM/IEEE conference on Supercomputing
Adaptive Sparse Grid Classification Using Grid Environments
ICCS '07 Proceedings of the 7th international conference on Computational Science, Part I: ICCS 2007
Globus toolkit version 4: software for service-oriented systems
NPC'05 Proceedings of the 2005 IFIP international conference on Network and Parallel Computing
Applying grid techniques to an octree-based CSCW framework
PVM/MPI'05 Proceedings of the 12th European PVM/MPI users' group conference on Recent Advances in Parallel Virtual Machine and Message Passing Interface
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In order to benefit from grid computing, software applications in CSE often need to be substantially modified or rewritten to a large extent. To reduce the required grid know-how and effort the computational scientist (end user and software developer) needs for this task, we developed a framework for engineering simulations in grid environments (GridSFEA). This paper presents two novel features of GridSFEA: the integrated support for parameter investigations and the controlled execution of long-running simulations in grids. They allow the grid enabling of CSE applications with minimal or even without changes of their source code. Furthermore, the overhead for working in grid environments introduced by our approach, compared to working on classical HPC platforms, is very low. We provide two examples of using GridSFEA for performing vapour-liquid equilibria (VLE) simulations using Molecular Dynamics and Monte Carlo methods. To develop VLE models, parameter investigations are carried out. Large VLE scenarios are computed over a long time, to create test cases for the development of HPC software.