Access to Computers

National HPC (ARCHER2)

The group has access to the national high-performance computer (ARCHER2) through membership of the Materials Chemistry Consortium (MCC). Currently, the computer budged is granted through successful research proposals submitted twice a year, the actual deadline and meeting venue are detailed in the MCC web page. New members can get access to ARCHER following the this guidance.

Proposals must have a specific format with clear justification of resources. HPC resources can be stimated using the online calculator. Here you can find a proposal example. The group proposals should be acompained by a group summary form and an annual report including publications and dissemination of results.

Acknowledgement

The following text is required to acknowledge ARCHER in publications. Click here to access its logo.

Via our membership of the UK's HEC Materials Chemistry Consortium, which is funded by EPSRC (EP/L000202, EP/R029431), this work used the ARCHER UK National Supercomputing Service (http://www.archer.ac.uk).

Tier 2 HPC

The group has access to YOUNG, also through the MCC membership and the Materials and Molecular Modelling (MMM) Hub. The computer budged is provided every three months although the proposals include six months of computer time, as they are evaluated at the same meeting than ARCHER proposals. New users must be registered here.

The group has request also access to Isambard as Cardiff is part of the GW4. To find out more about Isambard, GW4’s Tier 2 HPC service, please contact Professor Simon McIntosh-Smith at cssnmis@bristol.ac.uk, or call 0117 33 15324.

Acknowledgement

The following text is needed to acknowledge THOMAS in publications. Click here to access the MMM logo.

Via our membership of the UK's HEC Materials Chemistry Consortium, which is funded by EPSRC (EP/L000202, EP/R029431), this work used the UK Materials and Molecular Modelling Hub for computational resources, MMM Hub, which is partially funded by EPSRC (EP/P020194).

Supercomputing Wales

Cardiff University hosts large part of the Supercomputing Wales HPC, which is managed by Advanced Research Computing at Cardiff (ARCCA).

The group has access to it through the research project scw1039. New members can register following this link.

Hawk, the HPC system has different queue systems that can be accessible by adapting the submission script. This queue system allows partition within the same queue system (Slurm), for instance, grating exclusive access to compute_chemy1 queue. A submission script for parallel (compute) queues is here, to use GPU, and the new AMD processors.

Acknowledgement

The following text is required to acknowledge this facility:

We acknowledge computing time on the facilities of HPC Supercomputing Wales and the Advanced Research Computing @ Cardiff (ARCCA) at Cardiff University.