SC²S Colloquium - August 31, 2017

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Date: August 31, 2017
Room: 02.07.023
Time: 16:00 pm, s.t.

Micha Müller: Neighbourhood Lists in Molecular Dynamics Simulations: SIMD-Vectorizierung

In this thesis the relevant code for neighborhood lists in the ls1 mardyn project is vectorized with SIMD-instructions for Intel’s Xeon Phi architecture. The performance improvements are measured and compared to the existing vectorized Linked Cells approach. We will see that efficient memory usage is crucial for high performance with neighborhood lists. Also, we evaluate different optimizations for the vectorized neighborhood lists and try to outperform the existing Linked Cells. Some other minor improvements for ls1 mardyn in general are examined as well.

Thomas Schilling: Verlet Listen: Implementierung