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Molecular modelling and simulations are integral part of biomolecular research. Yet, there is insufficient expertise on efficient usage of HPC resources among the user community. The current school is organized to fill that gap and builds on the very successful first edition of the event.
We are bringing the core developers of GROMACS, NAMD, AMBER and VMD – some of the most popular and well-known applications in the field. Over the 4 days of the event, the school program will allow participants to get a comprehensive understanding of the usage of the different codes; their scalability and performance, as well as ways to avoid potential issues; and learn the best practices about using them on HPC systems. Extensive hands-on sessions will cover more than half of time during the school.
The participants must have prior experience with one or more of the applications (GROMACS, NAMD or AMBER). The course does not include a general introduction to MD simulation methods.
The course will take place at the computer laboratories of PDC Center for High Performance Computing at KTH Royal Institute of Technology in Stockholm. Participants will be able to run on the PRACE Tier‐1 system Beskow, the largest Tier-1 system within the Nordic countries.
The school is also supported by the Swedish National Infrastructure for Computing (SNIC).
The program is free of charge but participants are responsible for own travel and accommodation costs. During the hands-on sessions participants can use own laptops, provided that all the required software is installed prior to the event. A detailed list of needed applications will be communicated in advance.
Both academic and industrial researchers residing in PRACE member countries, European Union Member States or Associated Countries, are welcome to apply to attend the school. All lectures and training sessions will be in English.
Registration Opening: 1st of March 2019.
No participation fee.
Please note that the number of places is limited, so register early to ensure a place.
Additionally, BioExcel CoE will be providing a limited number of travel bursaries for a fixed amount (€120 per day of the course) for this event.
If you would like to be considered for a travel bursary, please contact Michelle Mendoca <firstname.lastname@example.org>. Please note that the travel grants will be awarded on a competitive basis and additional documentation, such as a letter of support and a biography, will be requested during the application process. More details about the travel bursary can be found on the BioExcel website.