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In order to investigate the behavior of the solvation, particularly, to quantify the solvent effects on the properties of solutes on a molecular basis, several simulation approaches are proposed, which make enable the modeling and rigorous examination of the thermodynamic properties of cluster-ion system. Typical simulation to calculate these nucleation properties is time-consuming due to the large amount of data and the phase space sampling. Although cluster-based simulation brings in parallel computing and shortens the simulation time, there are still some time wasted. This is mainly due to the waiting time of the new job submitted to the end of the queues after some certain parameters modified. In order to further reduce the execution time, we present a novel simulation approach which combines the DA-TC execution model in this paper. Experiments show that the DA-TC mechanism can further improve the application execution performance and increase the resource utilization in multicluster grid environment.