KTH Royal Institute of Technology, established in 1827, is one of Europe’s top schools for science and engineering, graduating one-third of Sweden’s undergraduate and graduate engineers in the full range of engineering disciplines. KTH has about 17,500 students, of which about 1,400 are pursuing PhD studies. In this proposal, KTH is represented by CST, the division of Computational Science and Technology, SLL, Science for Life Laboratory, and the Linné FLOW Center. CST is part of the Electrical Engineering and Computer Science (EECS) School, and research branch of the KTH Centre for High- Performance Computing (PDC). The CST department comprises three research groups: High-Performance Computing and Scientific Visualisation, Computational Technologies and Algorithms, and neuro-informatics. The department focuses on applied technologies in extreme computing and data analysis. CST benefits from the variety of HPC system operated by PDC, ranging from high-throughput oriented clusters to high-end parallel architectures and novel accelerator-based machines. Science for Life Laboratory (SLL) is a national center for molecular biosciences with focus on health and environmental research. The center combines frontline technical expertise with advanced knowledge of molecular bioscience, bioinformatics, drug discovery and proteomics. SciLifeLab is a national resource and collaboration between four universities: Karolinska Institute, KTH Royal Institute of Technology, Stockholm University and Uppsala University. The Linné FLOW Centre is the leading centre for fluid mechanics research in Sweden. A large part of the research is computational and there is a strong activity dealing with large-scale simulations of turbulent flows, so called direct numerical simulations. To this end, FLOW has been instrumental while acquiring a large dedicated cluster (10000 cores with full-bisectional Infiniband) 2009-2013, which allowed us to perform some of the largest turbulence simulations, both in 3D turbulent boundary layers, but also in 2D (atmospheric) turbulence. The centre comprises about 30 senior researchers within three departments at KTH, plus about 50 active PhD students. FLOW is the main developer of a fully spectral code SIMSON (parallel efficiency ~80% up to 16384 cores), and an active contributor to the massively parallel code Nek5000. The latter method has shown excellent scaling up to 1200000 cores for real turbulence applications.

DEEP-SEA

KTH will perform tasks within:

• Work package “Co-design applications”, by providing the GROMACS and Nek5000 as pilot applications.
• Work package “Node-level programming”, by designing and developing application-specific DaCe transformation to ease the deployment of DaCe in large scientific codes.

Website: https://www.kth.se/