Course: Efficient MD simulations at HPC2N (February 2020)

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Name Course: Efficient MD simulations at HPC2N (February 2020)
Description Efficient MD simulations at HPC2N
Type of event Course
Location Umeå
Start date 2020-02-28
End date 2020-02-28

Course overview

The aim of the course is to provide MD users with a set of best practices to improve the performance of their simulations. This will be accomplished by tuning the appropriate SLURM switches and flags proper to the MD packages.

Topics to be covered are:

  • Performance analysis of different versions of the packages (AMBER, NAMD, GROMACS, LAMMPS)
  • Performance analysis on different architectures (CPU, GPU, KNL)
  • General recommendations when using plugins.

Participation is free and open to all existing and prospective users of HPC from Swedish institutions. Coffee and lunch will be provided.

Please bring your laptop for the hands-on.

Course web page and registration

For more information and registration refer to the Course webpage