Distributed Applications from Scratch: Using GridMD Workflow Patterns

Authors:
I. Morozov;I. Valuev
Affiliations:
Joint Institute for High Temperatures of Russian Academy of Sciences, Izhorskaya 13/19, Moscow, 125412, Russia and Moscow Institute of Physics and Technology (State University), Institutskii per., ...;Joint Institute for High Temperatures of Russian Academy of Sciences, Izhorskaya 13/19, Moscow, 125412, Russia
Venue:
ICCS '07 Proceedings of the 7th international conference on Computational Science, Part III: ICCS 2007
Year:
2007

Citing 3
Cited 0

Parameter scan of an effective group difference pseudopotential using grid computing

New Generation Computing - Grid systems for life sciences
Uniform access to the distributed resources for the computational chemistry using UNICORE

ICCS'03 Proceedings of the 2003 international conference on Computational science: PartII
GridMD: program architecture for distributed molecular simulation

ICA3PP'05 Proceedings of the 6th international conference on Algorithms and Architectures for Parallel Processing

Quantified Score

Hi-index	0.00

Visualization

Abstract

A new approach is proposed to generate workflow scenarios of scientific applications such as Molecular Dynamics and Monte-Carlo simulations in a distributed environment. The approach is based on embedding all workflow elements into the source (C++) code of the application as external library (GridMD) function calls. Thus the compiled executable is used both to generate the scenario and to perform computations related to the individual scenario elements. Having the scenario, its execution may be delegated to any resource manager which supports workflows.