Wednesday 24th January 9:30-14:30 CET

• Workshop Introduction 

• LUMI architecture 

• Brief intro to GROMACS

• GROMACS parallelization and algorithms background

• AMD GPU support in GROMACS

• How to run on LUMI

• Hands-on: experiment to find optimal run parameters using upto three model systems

Thursday 25th January 9:30 - 14:30

• Assessing and tuning performance of GROMACS simulations

• Hands-on on continues

• Overview and discussion on attendees results