11 - Advanced High-Performance Computing Services for networked regional Virtual Research Communities

Ognjen Prnjat and Ioannis Liabotis (GRNET), Mihnea Dulea (IFIN-HH), Emanouil Atanassov (IICT-BAS), Gabor Rozcei /(NIIF), Danica Stojiljkovic (IPB)

HP-SEE initiative links the existing High-Performance Computing facilities in the South-East European region into a common distributed infrastructure, and provides operational and management solutions for it. In the regional context this focuses on operating the HPC infrastructure and specific end-user services for the benefit of user communities. Resources include two BlueGene/P supercomputers and 11 HPC clusters with low-latency interconnection. To support applications a comprehensive set of infrastructure services is deployed, including user support helpdesk, network and operational monitoring, accounting, resource management portal and ldap service. A number of interoperability solutions have been designed, such as Nagios sensor checking installed software versions by HPC centres; while porting and optimisation procedures and scalability solutions have been developed.
The infrastructure is open to a wide range of new user communities, fostering collaboration and providing advanced capabilities to more researchers, with an emphasis on strategic groups in computational physics, computational chemistry and life sciences. 20 target applications are currently deployed, with flagship examples being Molecular dynamics study of complex systems; Simulation of internal and external gas flows in micro mechanical devices; and Computational models of linear and nonlinear optical properties of nano-systems. Some applications scale above 1000 processors; while production-level usage of the infrastructure is now consuming millions of CPU hours.
As added value, this regional effort provides a test-bed for the deployment of advanced solutions for HPC distributed infrastructure management, as well as for establishing efficient user support solutions and procedures for cross-border user communities.

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