Speaker: Dr. Anna Kahler, NHR@FAU

Slides: https://hpc.fau.de/files/2024/07/2024-07-09_NHR@FAU_HPC-Cafe_Gromacs-Benchmarks.pdf

Abstract:

The first patch for GROMACS 2024 was released at the end of February, and recently, several cutting-edge CPU and GPU architectures have been integrated into the NHR@FAU test cluster. After benchmarking the usual set of six simulation systems on these new architectures, we are excited to share the results with NHR@FAU users, as they reveal some fascinating insights. Additionally, we will present three support cases that demonstrate how individual adjustments can significantly optimize performance.

Material from past events is available at: https://hpc.fau.de/teaching/hpc-cafe/