aiidateam / aiida-hyperqueue

AiiDA plugin for the HyperQueue metascheduler.
http://aiida-hyperqueue.readthedocs.io/
MIT License
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Refactoring, bug fixes and adding tests #18

Open unkcpz opened 1 month ago

unkcpz commented 1 month ago

This PR is open since I use the branch to test the demo server lightweight scheduler integration. The PR bundles bunch of things include:

The major change I made in terms of resource setting is I didn't use num_mpiprocs and rename num_cores -> num_cpus, rename memory_Mb -> memory_mb. The reason is that I think this kind of "meta-scheduler" for task farming is not inherit from either ParEnvJobResource as SGE type scheduler nor NodeNumberJobResource. When we use hyperqueue for task farming or for local machine as light-weight scheduler we only set number of cpus and size of memory to allocate for each job. The multi-node support of hyperqueue is under experiments and will not cover our use case from what I can expect. But this is the point worth to discuss, looking forward to see your opinions @giovannipizzi @mbercx

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