BioExcel, the leading European Centre of Excellence for computational biomolecular research, aims to support Life Science academic and industrial researchers in the effective use of HPC biomolecular software and continues BioExcel’s webinar series with its top experts in biomolecular modelling and simulations tools. Welcome!
Webinar: What’s new in GROMACS 2023
| Date: | April 25, 2023 |
| Time: | 15:00 CEST (Central European Summer Time) UTC/GMT + 2h |
| 16:00 EEST (Eastern European Summer Time) UTC/GMT + 3 h | |
| Please do not forget to take into consideration the different time zones of joining the webinar! | |
| Duration: |
1 hour |
| Tool: | ZOOM (install the latest Zoom application before the webinar via https://zoom.us/download) |
Abstract
This webinar gives an overview of the new features that have been included in the recently released 2023 version of GROMACS. There have mainly been improvements related to performance on GPUs, in particular a new SYCL backend targetting AMD and Intel GPUs, (experimental) support for the new CUDA graphs framwork and parallel PME decomposition on GPUs.
Presenters
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Andrey Alekseenko, SciLifeLab (Science for Life Laboratory), Stockholm, Sweden
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Berk Hess, KTH Royal Institute of Technology, Stockholm, Sweden
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Szilárd Páll, PCD Center for High Performance Computing at KTH Royal Institute of Technology, Stockholm, Sweden
More information on the presenters in the presenters tab!
Registration
Please register below! You will then receive a confirmation email with details of how you can connect to the webinar.