DIAMOND-CW (Codes and Workflows)
Description
The DIAMOND-CW platform will offer a set of open source codes and workflows, including AI tools, adaptable, as well as the possibility of making existing codes or workflows available to the community or which will be developed in calls for applications. DIADEM projects.
Location
GRICAD, Grenoble.
Contacts
Platform managers: Pierre-Antoine BOUTTIER
Associated targeted project coordinator: François WILLAIME
Technical characteristics
The codes and workflows will be implemented in containers (Aptainer) to facilitate their installation by users on their own computers and servers.
The most common codes will be available at the end of 2025. They will cover the following scales of description: electronic structure, atomic scale simulation, finite element calculations and process simulation.
Examples of workflows (set of chained codes and automated analysis of simulation and/or experimental data, possibly using databases in particular via the DIAMOND-DM platform) will be made available to the community. They will be developed in an adaptable way based on different workflow managers.
The available codes and workflows will be listed, documented and downloadable on the dedicated website, the link to which will be available on the DIADEM website.
It will also be possible to supply the platform with new codes and workflows, existing or developed in DIADEM calls for projects, to make them available to the community. The work of professionalizing codes and adapting workflows will benefit from support from the DIAMOND team and access to calculation servers for tests (4 NVIDIA HGX H100 GPUs, 94 GB of unified memory, 2 AMD CPUs EPYC 9654@2.4Ghz of 96 cores, connected in InfiniBand 100 Gbps, for each of the 2 servers).
The platform will be hosted at GRICAD.
Associated targeted project
