Managing Dynamical Distributed Applications with GridMD Library

The open source C++ class library GridMD for distributed computing is reviewed including its architecture, functionality and use cases. The library is intended to facilitate development of distributed applications that can be run at contemporary supercomputing clusters and standalone servers managed by Grid or cluster task scheduling middleware. The GridMD library used to be targeted at molecular dynamics and Monte-Carlo simulations but at present it can serve as a universal tool for developing distributed computing applications as well as for creating task management codes. In both cases the distributed application is represented by a single client-side executable built from a compact C++ code. In the first place the library is targeted at developing complex applications that contain many computation stages with possible data dependencies between them which can be run efficiently in the distributed environment.