Towards a lightweight generic computational grid framework for biological research

Background: An increasing number of scientific research projects require access to large-scale computational resources. This is particularly true in the biological field, whether to facilitate the analysis of large high-throughput data sets, or to perform large numbers of complex simulations – a characteristic of the emerging field of systems biology. Results: In this paper we present a lightweight generic framework for combining disparate computational resources at multiple sites (ranging from local computers and clusters to established national Grid services). A detailed guide describing how to set up the framework is available from the following URL: http://igrid-ext.cryst.bbk.ac.uk/portal_guide/. Conclusion: This approach is particularly (but not exclusively) appropriate for large-scale biology projects with multiple collaborators working at different national or international sites. The framework is relatively easy to set up, hides the complexity of Grid middleware from the user, and provides access to resources through a single, uniform interface. It has been developed as part of the European ImmunoGrid project

The AliEn system, status and perspectives

AliEn is a production environment that implements several components of the Grid paradigm needed to simulate, reconstruct and analyse HEP data in a distributed way. The system is built around Open Source components, uses the Web Services model and standard network protocols to implement the computing platform that is currently being used to produce and analyse Monte Carlo data at over 30 sites on four continents. The aim of this paper is to present the current AliEn architecture and outline its future developments in the light of emerging standards.Comment: Talk from the 2003 Computing in High Energy and Nuclear Physics (CHEP03), La Jolla, Ca, USA, March 2003, 10 pages, Word, 10 figures. PSN MOAT00

Towards a Swiss National Research Infrastructure

In this position paper we describe the current status and plans for a Swiss National Research Infrastructure. Swiss academic and research institutions are very autonomous. While being loosely coupled, they do not rely on any centralized management entities. Therefore, a coordinated national research infrastructure can only be established by federating the various resources available locally at the individual institutions. The Swiss Multi-Science Computing Grid and the Swiss Academic Compute Cloud projects serve already a large number of diverse user communities. These projects also allow us to test the operational setup of such a heterogeneous federated infrastructure

Supporting security-oriented, collaborative nanoCMOS electronics research

Grid technologies support collaborative e-Research typified by multiple institutions and resources seamlessly shared to tackle common research problems. The rules for collaboration and resource sharing are commonly achieved through establishment and management of virtual organizations (VOs) where policies on access and usage of resources by collaborators are defined and enforced by sites involved in the collaboration. The expression and enforcement of these rules is made through access control systems where roles/privileges are defined and associated with individuals as digitally signed attribute certificates which collaborating sites then use to authorize access to resources. Key to this approach is that the roles are assigned to the right individuals in the VO; the attribute certificates are only presented to the appropriate resources in the VO; it is transparent to the end user researchers, and finally that it is manageable for resource providers and administrators in the collaboration. In this paper, we present a security model and implementation improving the overall usability and security of resources used in Grid-based e-Research collaborations through exploitation of the Internet2 Shibboleth technology. This is explored in the context of a major new security focused project at the National e-Science Centre (NeSC) at the University of Glasgow in the nanoCMOS electronics domain

Towards a generic platform for developing CSCL applications using Grid infrastructure

The goal of this paper is to explore the possibility of using CSCL component-based software under a Grid infrastructure. The merge of these technologies represents an attractive, but probably quite laborious enterprise if we consider not only the benefits but also the barriers that we have to overcome. This work presents an attempt toward this direction by developing a generic platform of CSCL components and discussing the advantages that we could obtain if we adapted it to the Grid. We then propose a means that could make this adjustment possible due to the high degree of genericity that our library component is endowed with by being based on the generic programming paradigm. Finally, an application of our library is proposed both for validating the adequacy of the platform which it is based on and for indicating the possibilities gained by using it under the Grid.Peer ReviewedPostprint (published version

IMP Science Gateway: from the Portal to the Hub of Virtual Experimental Labs in Materials Science

"Science gateway" (SG) ideology means a user-friendly intuitive interface between scientists (or scientific communities) and different software components + various distributed computing infrastructures (DCIs) (like grids, clouds, clusters), where researchers can focus on their scientific goals and less on peculiarities of software/DCI. "IMP Science Gateway Portal" (http://scigate.imp.kiev.ua) for complex workflow management and integration of distributed computing resources (like clusters, service grids, desktop grids, clouds) is presented. It is created on the basis of WS-PGRADE and gUSE technologies, where WS-PGRADE is designed for science workflow operation and gUSE - for smooth integration of available resources for parallel and distributed computing in various heterogeneous distributed computing infrastructures (DCI). The typical scientific workflows with possible scenarios of its preparation and usage are presented. Several typical use cases for these science applications (scientific workflows) are considered for molecular dynamics (MD) simulations of complex behavior of various nanostructures (nanoindentation of graphene layers, defect system relaxation in metal nanocrystals, thermal stability of boron nitride nanotubes, etc.). The user experience is analyzed in the context of its practical applications for MD simulations in materials science, physics and nanotechnologies with available heterogeneous DCIs. In conclusion, the "science gateway" approach - workflow manager (like WS-PGRADE) + DCI resources manager (like gUSE)- gives opportunity to use the SG portal (like "IMP Science Gateway Portal") in a very promising way, namely, as a hub of various virtual experimental labs (different software components + various requirements to resources) in the context of its practical MD applications in materials science, physics, chemistry, biology, and nanotechnologies.Comment: 6 pages, 5 figures, 3 tables; 6th International Workshop on Science Gateways, IWSG-2014 (Dublin, Ireland, 3-5 June, 2014). arXiv admin note: substantial text overlap with arXiv:1404.545