Day 1 (31/01/2022)
10:00 - 11:00 Welcome and introductions
11:00 - 11:20 LECTURE: High-Performance Computing (HPC)
11:20 - 11:40 PRACTICAL: Connecting to MareNostrum
11:40 - 12:00 BREAK
12:00 - 12:20 LECTURE: HPC Architectures
12:20 - 13:00 PRACTICAL: Overview of the MareNostrum system and modules
13:00 - 13:40 LUNCH
13:40 - 14:00 LECTURE: Batch systems and parallel application launchers
14:00 - 14:30 PRACTICAL: Batch Systems and MareNostrum Slurm Scheduler
14:30 - 14:50 BREAK
14:50 - 15:20 LECTURE: Parallel Computing Patterns
15:20 - 15:55 PRACTICAL: HMMER (condensed part 1 and part 2)
15:55 - 16:00 LECTURE: Review of Day 1
16:00 Finish
Day 2 (01/02/2022)
10:00 - 10:05 Welcome
10:05 - 10:35 LECTURE: Measuring Parallel Performance
10:35 - 11:20 PRACTICAL: Benchmarking Molecular Dynamics Performance Using GROMACS
11:20 - 11:40 BREAK
11:40 - 12:10 LECTURE: Computational Building Blocks: Software
12:10 - 12:40 LECTURE: Computational Building Blocks: Hardware
12:40 - 13:30 LUNCH
13:30 - 14:00 PRACTICAL: Benchmarking Molecular Dynamics Using GROMACS
14:00 - 14:30 LECTURE: Parallel Programming Models (OpenMP, MPI)
14:30 - 14:50 BREAK
14:50 - 16:00 PRACTICAL: PhysiCell, OpenMP, MPI
16:00 - 16:25 LECTURE: Building and compiling software: from algorithm to executable
16:25 - 16:30 LECTURE: Review of Day 2
16:30 Finish
Day 3 (02/02/2022)
10:00 - 10:05 Welcome
10:05 - 10:35 Lecture: Singularity containers
10:35 - 11:20 PRACTICAL: Containers
11:20 - 11:40 BREAK
11:40 - 12:40 Introduction to PyCOMPSs and task-based programming model.
Building blocks.
12:40 - 13:30 LUNCH
13:30 - 14:30 PRACTICAL: Workflows and building blocks
14:30 - 14:50 BREAK
14:50 - 15:20 LECTURE: The HPC landscape in Europe and the future of HPC. Course review and where next?
15:20 - 15:30 Final questions and end of the course
