2–6 Mar 2009
Le Ciminiere, Catania, Sicily, Italy
Europe/Rome timezone

The new WISDOM production environment

3 Mar 2009, 16:00
12m
Foyer (Le Ciminiere, Catania, Sicily, Italy)

Foyer

Le Ciminiere, Catania, Sicily, Italy

Viale Africa 95100 Catania
Demo Scientific results obtained using grid technology Demo Session

Speakers

Mr Jean Salzemann (CNRS/IN2P3)Mr Matthieu Reichstadt (CNRS/IN2P3)Mr Vincent Bloch (CNRS/IN2P3)

Description

The WISDOM environment has evolved continuously to take advantage of the Grid computing and storage resources for large scale drug discovery applications. The environment, thanks to its flexibility and its simplicity, enables the integration of multiple softwares and the deployment on different grid infrastructures (EGEE, OSG). The new version of the environment combines tools within the same framework with workload management and data management.

Impact

Based on the experience gained with the WISDOM environment, the platform makes an efficient use of the grid services. Thanks to the AMGA metadata catalogue it uses a global information system to share all the biological data used by its services for better interoperability. The system is based on the use of agents, or software wrappers; the agents are designed to run any software integrated in the platform and pick up tasks on the fly. All the information concerning the tasks is stored in the platform information system so input data are simply collected on the WN and results are saved back on the storage elements. The jobs also store some results and statistics dynamically in the platform information system in AMGA. The automatic replication and update service is based on the grid data management system, using LFC and storage elements to manage the physical files and manage the metadata in AMGA.

Justification for delivering demo and technical requirements (ONLY for demonstrations)

In this demonstration, we will show how the different tools can be simply managed through external web pages for simple invocation, or in a more complex way through workflow engines (MOTEUR, Taverna) while monitoring in real time what is actually happening on the grid. The demonstration will focus on user-friendliness and versatility of the platform as its tools can be used transparently and efficiently. It will show on a single screen some use cases, and show how the platform can be used.

Detailed analysis

The environment has been developed with one idea in mind: addressing the needs of the bioinformatics community that works with workflows and that may need the computing power of the grid or just simple computers to run their tasks. By the use of agents which preallocate the resources it allows the quick execution of simulations and makes the grid useful and efficient for short jobs and large-scale deployments alike. The use of an interoperable technology also enhances the integration capabilities of new software and databases, that can easily be used altogether through workflow engines. This also allows to wrap middleware specific aspects to run jobs on multiple grid infrastructures. Advanced tools used in the platform manage automatically the job submissions, replication and update of the biological databases so end-users just have to focus on their workflows and not on the technology.

URL for further information

http://amga02.lpc-rd.fr/plate-forme-bioInfo

Keywords

WISDOM, Production environment, Interoperability, Workload Management, Data Management

Conclusions and Future Work

The WISDOM production environment has evolved to allow not only 'in silico' docking but also other types of application, for instance a data challenge on corn genome sequencing has been done also using the same environment. The environment will also be used, in the near future, to manage the jobs of the HOPE platform. We also plan some specific work to reinforce security and a more transparent integration with future versions of the MOTEUR workflow engine.

Authors

Mr Jean Salzemann (CNRS/IN2P3) Mr Matthieu Reichstadt (CNRS/IN2P3) Mr Vincent Bloch (CNRS/IN2P3)

Co-authors

Ms Ana Lucia Da Costa (CNRS/IN2P3) Mr Vincent Breton (CNRS/IN2P3)

Presentation materials

There are no materials yet.