multiple cerise specialisations from same lie_md

[marcvdijk]

When running a LIE workflow with MD jobs requesting to run go GT-GPU nodes followed by running another LIE workflow in parallel requesting regular GT nodes for MD, the latter workflow will use the GPU specialisation instead.

Seems that lie_md does not keep track of different specialisations in parallel or at all?

[marcvdijk]

Changing the issue status to "bug" as it seems that lie_md is not keeping track of different types of HPC specialisations but just takes whatever is around.
That means that even when taking MDStudio offline, the docker specialisation is still running (perhaps also something to change) and when MDStudio is launched again that specialisation will be used again even if the workflow defines a different one.