Author: Anna Kahler

The first patch for the newest GROMACS version 2024 was released end of February. Recently, several new GPGPUs were added to the test cluster at NHR@FAU. As we benchmarked our usual set of six simulation systems, we decided to write a follow-up on our GROMACS benchmark posts (Multi-GPU GROMACS Jobs ...

Kategorie: Allgemein, HPC

Title: Quantum Computing at the DLR Institute of Software Technology—Algorithms and Applications Speaker: Dr.-Ing. Achim Basermann, High-Performance Computing Department, German Aerospace Center's (DLR) Institute for Software Technology Date and time: Tuesday, July 2, 2024, 2:00-3:00 p.m. CEST...

Kategorie: All, Allgemein, HPC, NHR-PerfLab-Seminar

This course covers an introduction into the molecular dynamics engine GROMACS, including fundamental commands and applications. Over five days, the participants will learn how to prepare and run simulations of biomolecular systems (e.g. including membranes and proteins) at an atomistic and coars...

Kategorie: Teaching

We cordially invite you to the second NHR Atomistic Simulation Center (ASC) Symposium 2022, taking place online 28-29 November 2022 The Atomistic Simulation Center (ASC) is a collaboration between the three National High Performance Computing (NHR) centers Paderborn (PC2), Erlangen (NHR@FAU), and B...

Kategorie: Allgemein, HPC

The eighth NHR@FAU Newsletter is now available. The newsletter is a publication that summarizes recent and upcoming events in and around the Erlangen National High Performance Computing Center. These are the current topics: Official Application Process for NHR@FAU Resources •  Welcome Dr. Shahzad...

Kategorie: HPC, NHR-Newsletter

NHR@FAU has recently installed its new GPU cluster "Alex", which is currently undergoing user-side testing until it is ready for general use. Alex has a total of 192 Nvidia A100 and 304 Nvidia A40 GPGPUs that will be available nation-wide soon; we decided to run some GROMACS benchmarking tests of MD...

Kategorie: Allgemein, HPC