High Performance Computing
Multi- and many-core supercomputing
High-performance computing (HPC) is a filed of computation, where big memory and processing power is required. Here especially parallel processing of computations plays an important role. Programming interfaces like MPI allowing development of applications for HPC cluster architectures geared to massively parallel processing.
As the National High Performance Computing Center in the NHR Alliance, SCC currently operates, among other systems, the Hochleistungsrechner Karlsruhe (Karlsruhe High Performance Computer, HoreKa), the Future Technologies Partition and the bwUniCluster 2.0.
To support scientific communities in using high-end supercomputing resources, SCC has established a new type of domain-specific research and support structure: the Simulation and Data Laboratories.
In response to the increasing significance of computational science and engineering in science and research, the State of Baden-Wuerttemberg has developed a consistent concept “bwHPC” for high performance computing covering HPC support at all levels. As a statewide accompanying project “bwHPC-C5” (Coordinated Compute Clusters Competence Centers) has been coordinating since July 2013 the federated support of the users and the related measures and activities in the State of Baden-Wuerttemberg. Aim of the project is the organisation of federated HPC competence centres as an interface between science and high performance computing.
In response to the increasing significance of computational science and engineering in science and research, the State of Baden-Wuerttemberg has developed a consistent concept for High Performance Computing. Since 2013, this concept has ensured the establishment and further development of a permeable HPC ecosystem with different performance classes and competence centers. This bw-HPC concept includes the promotion of high-performance computing at all levels.
The accompanying project coordinated by the Steinbuch Centre for Computing (SCC) of KIT is currently called "bwHPC-S5" (Scientific Simulation and Storage Support Services) and acts as a link between scientists and entry-level HPC systems in Baden-Württemberg. It includes federated, subject-specific user support for level 3 and supports the transition to higher HPC performance levels.
High Throughput Protein Structure Prediction on
Hybrid and Distributed High Performance Architectures (HPC-5)
The great challenge in the coming years is the development of high throughput methods for the quantitative prediction of the three-dimensional structure of proteins with a low sequence similarity to structure-resolved proteins. The project HPC-5 being funded by the “Baden-Württemberg Stiftung” (foundation of the State of Baden-Wuerttemberg) will contribute substantially to the solution of this problem. In cooperation with the Institute of Nanotechnology novel models and algorithms are combined with established techniques from bioinformatics in order to model the structure of large proteins of biological and pharmaceutical relevance. The deployment of efficient algorithms on HPC architectures and the utilisation of new process architectures (such as GPU) by adopting capability computing can help to master unsolved problems in the field of life sciences.
In this FP7 project expert groups from the field of materials research (code developers), HPC resource providers and users from industry bundle their competences in order to develop and provide an integrated e-infrastructure for multi-scale materials modelling ((MMM@HPC). The open MMM@HPC infrastructure will allow the integration of existing software modules into customisable high performance protocols and workflows as well as the application on distributed computer resources. MMM@HPC unites academic and industrial scientists in the field of computational science and cooperates with other European projects and organisations like PRACE. The project is coordinated by SCC and the Institute of Nanotechnology (INT).