Monthly HPC Café: GROMACS 2024 usage and performance on modern CPUs and GPUs (July 9, hybrid event)
Topic: GROMACS 2024 usage and performance on modern CPUs and GPUs
Time: Tuesday, July 9, 2024 at 4:00 p.m.
Speaker: Dr. Anna Kahler, NHR@FAU
Location: seminar room 2.049 (RRZE, Martensstraße 1, 91058 Erlangen) and Zoom: https://fau.zoom.us/j/69439931483
Slides: Gromacs2024-Usage-and-Performance
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/