Workshop: How to run GROMACS efficiently on the LUMI supercomputer
24-25 January 2024: two-day online workshop, 9.30-14.30
This workshop is being run by BioExcel in collaboration with PDC and the CSC - IT Center for Science in Finland (where the LUMI system is hosted) and is designed for GROMACS users who are interested in running efficient GROMACS simulations on the GPU partition of LUMI (known as LUMI-G).
Time: Wed 2024-01-24 09.30 - Thu 2024-01-25 14.30
Language: English
This workshop will give practical tips on how to run GROMACS simulations efficiently on LUMI-G (that is, on AMD GPUs). The participants will also learn how to assess and tune the performance of GROMACS code. In addition, the course will provides an overview of the LUMI architecture and GROMACS heterogeneous parallelisation, with special attention to AMD GPUs.
For more details and registration link
See bioexcel.eu/events/running-gromacs-efficiently-on-lumi-workshop-2024
About BioExcel
BioExcel is the leading European Centre of Excellence for Computational Biomolecular Research. The centre was established in 2015 and is led by KTH/PDC. BioExcel organises webinars and workshops, often in cooperation with HPC centres and software development groups, that cover a broad range of topics related to the latest developments for supported software packages; their application to modelling and simulation; best practices for performance tuning and efficient usage on HPC and novel architectures; introductory tutorials for entry level users and much more.