BNB-Grid

Software package BNB-Grid for solution global optimisation tasks in the distributed computing enviroment

This package allows:

  • make calculations on heterogeneous, geographically distant computational resources;
  • solve different optimisational tasks by precise and heuristic methods;
  • provide calculations for a long time with checkpoints and malfunctions steadiness.

This software package allows to solve following classes of problems:

  • knapsack problem (precise, heuristic and combined algorithms)
  • the traveling salesman problem
  • continuous global optimization tasks (uneven coating methods with different types of estimations, interval methods, "multistart", Basin-Hoping)

With the help of BNB-Grid such estimations were carried out as search of the optimal conformation of the molecular compound, charge transferring in DNA molecule.

Publications

1.  Consolidation of Heterogeneous Distributed Computational Resources for Solving Large-Scale Optimization Problems

2.  An Environment for Solving Large Scale Optimization Problems on the Grid

Application example:

MC CAD: Modelling, optimisation, visualisation of molecule clusters

This application allows to:

  • Create, edit, visualize spatial configurations of molecular clusters.
  • Find optimal cluster configurations (with BNB-Grid).
  • Automatically generate cluster configurations by a predefined collection of parameters.
  • Save configurations.