LEGaTO: first steps towards energy-efficient toolset for heterogeneous computing

LEGaTO is a three-year EU H2020 project which started in December 2017. The LEGaTO project will leverage task-based programming models to provide a software ecosystem for Made-in-Europe heterogeneous hardware composed of CPUs, GPUs, FPGAs and dataflow engines. The aim is to attain one order of magnitude energy savings from the edge to the converged cloud/HPC.Peer ReviewedPostprint (author's final draft

Programming MPSoC platforms: Road works ahead

This paper summarizes a special session on multicore/multi-processor system-on-chip (MPSoC) programming challenges. The current trend towards MPSoC platforms in most computing domains does not only mean a radical change in computer architecture. Even more important from a SW developer´s viewpoint, at the same time the classical sequential von Neumann programming model needs to be overcome. Efficient utilization of the MPSoC HW resources demands for radically new models and corresponding SW development tools, capable of exploiting the available parallelism and guaranteeing bug-free parallel SW. While several standards are established in the high-performance computing domain (e.g. OpenMP), it is clear that more innovations are required for successful\ud deployment of heterogeneous embedded MPSoC. On the other hand, at least for coming years, the freedom for disruptive programming technologies is limited by the huge amount of certified sequential code that demands for a more pragmatic, gradual tool and code replacement strategy

Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS

GROMACS is a widely used package for biomolecular simulation, and over the last two decades it has evolved from small-scale efficiency to advanced heterogeneous acceleration and multi-level parallelism targeting some of the largest supercomputers in the world. Here, we describe some of the ways we have been able to realize this through the use of parallelization on all levels, combined with a constant focus on absolute performance. Release 4.6 of GROMACS uses SIMD acceleration on a wide range of architectures, GPU offloading acceleration, and both OpenMP and MPI parallelism within and between nodes, respectively. The recent work on acceleration made it necessary to revisit the fundamental algorithms of molecular simulation, including the concept of neighborsearching, and we discuss the present and future challenges we see for exascale simulation - in particular a very fine-grained task parallelism. We also discuss the software management, code peer review and continuous integration testing required for a project of this complexity.Comment: EASC 2014 conference proceedin