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Carsten Kutzner
Type devroom
How to lift GROMACS into a cloudy SLURM cluster and evolve to run GROMACS globally using containers.
Starts on day 1 (2021-02-06) at 16:30 (Brussels time, UTC+1) in room Hpc (duration 00:30)
Matrix room #hpc:fosdem.org
In this session we are presenting our experiences with migrating from traditional HPC to cloud-native HPC using a compute-heavy scientific workflow that is usually carried out on national supercomputing centers. Our scientific application are atomistic biomolecular simulations using the GROMACS molecular dynamics simulation toolkit.