Container Education Series: Continuous Integration and Delivery with Apptainer

In this week’s webinar, we will be covering continuous integration and delivery with Apptainer, some use cases, and demo a CI pipeline building and pushing GROMACS to a registry using Bitbucket Pipelines.

GROMACS is a molecular dynamics (MD) suite commonly used in HPC that support research across a variety of domains, including biology, pharmaceutical discovery, materials science, and engineering. GROMACS can utilize GPUs, if available, to accelerate computation, and can also take advantage of MPI software stacks for parallelization across multiple discrete compute nodes at once.