Detailed project information

The LGI (Leiden Grid Infrastructure) is a scalable and extendable computer grid

infrastructure developed for ?application oriented? High Performance Computing (HPC)

communities[1]. The LGI middleware, which has been designed and largely built the last

year, allows for deployment of licensed or hard to adapt HPC codes on resources outside of

the administrating domain of that community, without the need for a steep learning curve for

the endusers

and maintainers[2]. Within an LGI project, scientists can use a variety of

graphical, command line and web based application interfaces to setup calculations for their

applications of interest. The LGI middleware will make sure that the calculation will be

performed on any (super)

computer that has been setup to handle the calculation efficiently,

without the need for changing any of the security policies implemented on these computers

[1,2]. Scientists using the LGI no longer have to worry about how to setup jobs on all the

different hardware. This project consists of finalizing the LGI middleware and it?s

deployment. The deployment of LGI will offer application interfaces for SADVR

3], SPODVR[

4], ADF[5], VASP[6] and Gaussian[7] on the various (super)

computers to which the

Leiden Institute of Chemistry has access. This final deployment will then serve as an example

and a starting point for other ?application oriented? HPC communities.