As part of the modularization strategy of pyiron, we are happy to announce the release of executorlib version 1.0.

With executorlib you can up-scale python functions for high performance computing (HPC), including support for mpi4py, multi-threading and GPUs. It is compatible with the simple linux utility for resource management (SLURM) and the hierarchical resource manager flux. Resulting in minimal overhead as executorlib directly communicates with the job scheduler without data replication or an intermediate database. Available as part of pyiron_base and as standalone open-source library.

The corresponding article was published in the Journal of Open Source Software, the source code is available on Github as part of the pyiron organisation including the documentation.