SC²S Colloquium - October 21, 2015

Date:	October 21, 2015
Room:	02.07.023
Time:	3:00 pm, s.t.

Matthias Fischer: Parameter Estimation for the USHER algorithm Using Sparse Grids

In molecular dynamics simulation the usage of a macroscopic and microscopic scale can be advantageous. For the transition into the microscopic scale the insertion of molecules is a required task. This can be done by the USHER algorithm, that can be optimized through several parameters for different fluids. In this project we did a parameter study using sparse grids to discretize the parameter space and developed a tool to compute the optimal parameters for given fluids.

Raphael Schaller: Parallelization of a Non-Hydrostatic Shallow Water Model in Sam(oa)²

This talk discusses extension of the non-hydrostatic shallow water equations towards solving large problems on HPC architectures. We describe how the previous implementation of the non-hydrostatic shallow water equations in the PDE framework sam(oa)² is adapted in order to support parallel execution. Strong scaling as well as weak scaling results are presented, which show a parallel efficiency of about 96.8% for strong scaling on 512 cores and 90.1% for weak scaling on 8192 cores. To further improve performance, we examine and successfully demonstrate the application of the Conjugate Gradient Method - instead of the previously used Jacobi method - for solving the system of linear equations.