Employer: KTH Royal Institute of Technology, Stockholm
Department: PDC Centre for High Performance Computing
Type of position: Permanent, full-time
Application deadline: 24 May 2024

Job description

The PDC Center for High Performance computing at KTH is a supercomputing center for academic research in Sweden. We have the currently fastest academic supercomputer in Sweden, Dardel, a 8.26 Pflop/s HPE Cray EX235a with over 400 GPUs. With leading researchers in their fields, PDC is active in several high-profile European research projects and currently coordinates two EuroHPC Center of Excellences, BioExcel (for biomolecular simulation) and CEEC (for fluid dynamics simulation).

We are looking for a researcher to participate in the development of the software GROMACS (a molecular dynamics code) and Neko (a computational fluid dynamics code). The focus will be on developing new algorithms and co-design motivated by the challenges of new hardware. GROMACS is a widely used HPC application and one of the fastest molecular dynamics (MD) codes. Neko is a portable and very scalable computational fluid dynamics (CFD) framework and was nominated for the ACM Gordon Bell prize in 2023.

We are collaborating with leading HPC centers such as LUMI and Riken, and we are also active in co-design with HPC vendors. The work will be done together with the core development teams of GROMACS and Neko, both located at KTH. This requires good cooperative skills and the ability to individually solve difficult software problems where many aspects must be considered. The focus will be on 1) implementing algorithms and optimizing code for graphics processing units (GPU) and heterogeneous HPC platforms and 2) adapting applications for large-scale distributed parallelization targeting current and next generation exascale machines. The work also includes performance engineering , including application profiling, benchmarking, and test simulations. You will have the opportunity to lead trainings and “hackathons”.