The main objective of the project was building a cluster/grid calculation platform, in order to use it in molecular modelling and modelling on the meso and macroscopic level of complex materials. The project was coordinated by the Babes-Bolyai University, in a partnership with the Technical University in Cluj Napoca. This platform represents to this day the most powerful IBM calculation node in the country.
The node facilitates the running of molecular modelling calculations on any given chemical and biochemical systems with up to thousands of atoms (also depending on the chosen method of investigation), but also on complex materials in order to determine their various properties/characteristics.
General and specific project objectives
The immediate and direct goal of the project is to extend and modernize the infrastructure of the Molecular Modelling Laboratory and to transform it into a parallel computing platform which would enable access of researchers from the two institutions interested in modelling problems at any levels (molecular, nano, meso, macro). To this end, 48 ultra-fast computing units will be purchased and assembled in a parallel cluster. The system thus conceived will be utilized in solving problems specific to molecular modelling or to higher organization levels by research groups at the two partner institutions. This will enable achieving of yet another goal of the project, namely the increase of the degree of utilization of the available infrastructure by increasing the number of participants in modelling activities from within research projects that are ongoing or at the proposal stage