BioExcel Webinar #2: Performance tuning and optimization of GROMACS webinar


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Thanks for coming along today. Please feel free to ask questions here, or in a new topic. :slight_smile:

You can find the webinar and my slides at http://bioexcel.eu/webinar-performance-tuning-and-optimization-of-gromacs/. The links within that are all clickable, which include the valuable paper about GPU performance tuning at http://onlinelibrary.wiley.com/doi/10.1002/jcc.24030/abstract. The supporting information also has a lot of useful practical examples of commands, scripts and PME tuning! The paper is aimed at GROMACS 5.0, but pretty much perfect for 5.1 and the upcoming GROMACS 2016, also.