Day 1: Tuesday 7 March 2023
09:00 - 09:45 Welcome, introductions and expectations
09:45 - 10:05 LECTURE: Introduction to High Performance Computing (HPC)
10:05 - 10:30 PRACTICAL: Connecting to MareNostrum
10:30 - 11:00 Break
11:00 - 11:20 LECTURE: HPC Architectures
11:20 - 12:00 PRACTICAL: Overview of the MareNostrum system and modules
12:00 - 12:20 LECTURE: Batch systems and parallel application launchers
12:20 - 13:00 PRACTICAL: Batch Systems and MareNostrum Slurm Scheduler
13:00 - 14:00 Lunch break
14:00 - 14:30 LECTURE: Computational Building Blocks (software + hardware)
14:30 - 15:00 LECTURE: Parallel Programming Models (OpenMP, MPI)
15:00 - 15:30 PRACTICAL: PhysiCell, OpenMP, MPI
15:30 - 16:00 Break
16:00 - 16:45 PRACTICAL: PhysiCell, OpenMP, MPI
16:45 - 17:45 Women in science session: From the Top Secret Rosies to women in HPC
17:45 - 18:30 Drinks and nibbles
Day 2: Wednesday 8 March 2023
9:00 - 9:05 Welcome
9:05 - 9:45 Mapping computation to HPC hardware: molecular simulation
9:45 - 10:30 Practical: GROMACS simulations on multicore CPUs
10:30 - 11:00 Break
11:00 - 11:45 Practical: GROMACS simulations on multi node clusters
11:45 - 12:15 GPU accelerators and heterogeneous architectures
12:15 - 12:55 Practical: GROMACS simulations on GPUs
13:00 - 14:00 Lunch break
14:00 - 14:30 LECTURE: Introduction to PyCOMPSs programming model
14:30 - 15:00 PRACTICAL: PyCOMPSs
15:00 - 15:30 LECTURE: PerMedCoE Building Blocks and Workflows
15:30 - 16:00 Break
16:00 - 16:30 PRACTICAL: PerMedCoE Building Blocks and Workflows
16:30 - 17:00 Course wrap-up, final questions & feedback
