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Ensure unique task directories.

M. Eric Irrgang requested to merge 4795-gmxapi-working-directory-mdrun into release-2023

The gmxapi.mdrun operation applies its own logic for generating task identifiers, encoding some bookkeeping for distinguishing (but linking) members of simulator ensembles and for tracking iterations in simulation-analysis loops.

This change fixes logic to provide unique work graph nodes with unique task identifiers. Some additional testing should prevent repeated regression.

Closes #4795 (closed)

Edited by M. Eric Irrgang

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