MAPPER collaborates with several EU-funded projects for facilitating new scientific solutions in applications areas other than those already participating in the MAPPER project.
In the MMM@HPC project expert groups unite with computational resource providers to develop and deliver an integrated e-infrastructure for multiscale materials modelling. Complex simulation protocols including multiple steps to treat different size- and time-scales are described in the form of generic workflows. Pursuing a service oriented architecture approach reusable application interfaces (GridBeans) and UNICORE workflow services are deployed ensuring transferability and general applicability of the developed simulation services. The concept has been successfully demonstrated for the multiscale simulation of organic light emitting diodes using HPC resources and UNICORE services provided by PRACE and is now being employed to solve further challenges in the areas of energy storage and conversion, as well as organic and carbon-based electronics.
The ScalaLife project has established a Competence Center for long-term expert support of users and developers of Life Science software. The center includes the main developers of several applications: Gromacs, Dalton, Discrete, Ergo, Music and Xmipp, as well as experts in code analysis, profiling and optimization. New applications will be added in future. The Competence Center provides a wide range of expert support options to users of the applications, to developers of other Life Science software and to resource providers such as HPC centers.
The support services for users include guidance for efficient software usage on HPC resources, benchmarking of user test cases, efficient setup of simulated models, analysis of raw data and program execution support.
Support services for developers of Life Science software include code analysis and profiling, deployment and benchmarking on a variety of HPC resources, recommendations for efficient implementation of algorithms.
Resource providers (e.g. HPC centers) will be supported with proper installation and setup, benchmarking and second line support.