Z02

This project addresses the need for high performance computing expertise in many of the scientific projects in the NuMeriQS CRC. It offers central support, focusing on performance optimisation and addressing challenges related to the heterogeneous supercomputing resources. The project closely collaborates with Juelich Supercomputing Center (JSC). This allows the project to access diverse hardware architectures for benchmarking and co-design purposes through JSC industry partners. In its first funding phase, it supports Research Software Engineering (RSE) activities, reproducible benchmarking, application performance engineering and scaling analysis. In subsequent funding phases this foundation shall be extended to support the application of the numerical methods developed within the CRC to larger and more complex chemical and physical systems which will also require projects to employ correspondingly larger and more complex supercomputing hardware.