Error classification about qcengine HOT 5 CLOSED

I am usually a fan of custom error classes for flow management, so I like this idea.

Categories look good, though I suspect they're what the upstream manager wants to know more than than what the throwing program knows about its situation.

• ResourceError - (recoverable or non-recoverable) req'd memory not allocatable (rc), available disk not sufficient (nrc if same resource; rc if alternate resource)
• RandomError - (rc) PSIO error
• InputError - (nrc) what were once psi4.ValidationErrors

I thought pymatgen was going to be more helpful than it turned out:

https://github.com/materialsproject/pymatgen/blob/76a66990113cf9a11f908e1aba643f19c6abca68/pymatgen/io/abinit/events.py#L767-L877

https://github.com/materialsproject/pymatgen/blob/76a66990113cf9a11f908e1aba643f19c6abca68/pymatgen/io/abinit/tasks.py#L1299-L1304

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Yea, I had poked through there as well without finding too much.

Is the ResourceError a SetupError or vice versa? Not sure if we need to delineate between the two, either way they are recoverable and rerun on another worker I think.

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I was thinking ResourceError was a more concrete name for SetupError.

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So we have:

• InputError - (non-recoverable) error in the user input (e.g., incorrect keyword or method)
• ResourceError - (recoverable) example: scratch directory is not writeable, not enough memory
• ConvergenceError - (recoverable) likely requires options tweaking to enhance iterative convergence.
• RandomError - (recoverable) random seg fault or the like (SIGSEV, PSIO, etc).

I think that's a pretty good list to get started?

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Closed in #69.

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