Introduction to HPC for Life Scientists

Here we share part of the material from the course ‘Introduction to HPC for Life Scientists‘, including lectures and practical tutorials about HPC and how to make an efficient use of HPC environments for research in the Life Sciences.

Computational layers. Lecture about software layers in modern computers and HPC environments.

Parallel and distributed computing with PhysiCell. In this practical session, we will explore PhysiCell’s capabilities to run simulations in parallel. In particular, we will take advantage of the different cores that a single machine could have, and subsequently, the different nodes available at a supercomputer such as MareNostrum 4.

Mapping computation to HPC hardware & GPU accelerators and heterogeneous architectures. Lectures and exercises about:

  • Mapping computation to HPC hardware: molecular simulation
  • GPU accelerators and heterogeneous architectures
  • Introduction to HPC: molecular dynamics simulations with GROMACS