A long-term solution for the usability, maintainability and sustainability of HPC software
LibhpcII aims to provide a framework for building, running and maintaining future-proof, sustainable HPC applications. Lack of re usability and portability has been a major barrier to adoption in HPC code, leading to significant loss in what is often the most creative output of a research project and one with the greatest potential to benefit the wider research community and the general public. By providing a means for expressing application structure abstractly, libhpc enables HPC developers to share equivalent implementations for differing architectures via libhpc repositories. The same abstract structure also produces highly re-usable applications, which are easily adapted at and even during runtime to execute on widely different platforms, architectures and resource groups.
The project concentrates on a small number of exemplar areas, including systems to support GROMACs implementations, running finite element jobs using the Nekktar++ software, and implementing some bioinformatics pipelines using the BioPYpe web interface
BioPYpe is a web application for defining and running bioinformatics pipelines. Bioinformaticians can specify their pipelines using coordination forms and components to define the pipeline structure and the tools required. End users are then shown a graphical representation of the pipeline which they can use to provide configuration of the various components within the process and run their jobs. There is potential to target a range of different computational infrastructure including cluster and infrastructure cloud platforms.