The ModES team contributed to the funding of a local computing cluster, along with storage services and pre-/post-processing nodes.
With the support of:
Responsible : Aymeric BLONDEL
The Pekka local computing resources complement the regional and national offerings. They are dedicated to specific use cases and are managed by the laboratory’s high-performance computing service, which provides researchers with the most suitable solution for their needs.
At the local level, these resources are primarily used for:
- Prototyping,
- Pre- and post-processing of calculations,
- High-memory requirements,
- Calculations requiring fast local storage,
- Non-restartable calculations with non-standard runtime needs.
For example, the Pekka cluster has enabled highly resource-intensive calculations, such as the series of publications contributing to Quest, whose goal is to provide reference vertical excitation energies for small-and medium-sized molecules. This data allows for the evaluation and comparison of the accuracy of computational quantum chemistry methods.
