Containerization in Scientific Calculations
Andrey Sheka, Alexander Yu. Bersenev, Victor Samun · 2019 International Multi-Conference on Engineering, Computer and Information Sciences (SIBIRCON) · 2019
The containerization is useful for reproducing computational experiments and for distributing software. However it is difficult to run distributed tasks in containers, since many of them use MPI for inter-process communication. In this paper we present and evaluate a solution - the mpiexec_docker tool, which allows to run containerized applications in similar way as non-containerized ones. It supports Docker and Podman as containerization software and OpenMPI, MVAPICH2 and Intel MPI as MPI implementations. It can work with Slurm and can use devices that popular in HPC like GPUs or InfiniBand adapters.