Optimization of Run Configurations of k-Wave Jobs

This thesis focuses on scheduling, i.e. correct approximation of configurations used to run k-Wave simulations on supercomputers from the IT4Innovations infrastructure. Especially, for clusters Salomon and Anselm. A single work is composed of a set which contains many simulations. Every simulation is executed by some code from the k-Wave toolbox. To calculate the simulation, it is necesarry to select a suitable configuration, which means the amount of supercomputer resources (number of nodes, i.e. cores), and the duration of the rental. Creation of an ideal configuration is complicated and is even harder for an inexperienced user. The approximation is made based on the empiric data, obtained from multiple executions of different sets of simulations on given clusters. This data is stored and used by a set of approximators, which performs the actual approximation by methods of interpolation and regression. The text describes the implementation of the final scheduler. By experimenting, the most efficient methods for this problem has found out to be Akima spline, PCHIP interpolation and cubic spline. The main contribution of this work is creation of a tool which can find suitable configuration for k-Wave simulation without knowing the code or having lots of experience with its usage