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A simple and flexible job spooler for Triton (or any other cluster/supercomputer)

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TritonSpooler

A simple and flexible job spooler for Triton (or any other cluster/supercomputer)

The spooler is a python object that manages a set of jobs. A job is a python object with an ID and a state, that represents a set of operations to be completed. For example, in the Psi4 application a job consists of optimizing a molecule geometry and then run CCSD. In reality the job is split into many more small operations. The spooler must be provided with a dictionary of state-function pairs in order to know what task to perform for each job, depending on their states. If a state does not appear in the dictionary, the spooler will consider jobs in that state completed. When all jobs are in such states, the spooler will stop.

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/src: generic spooler code

/psi4: example use for molecule DB calculations

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A simple and flexible job spooler for Triton (or any other cluster/supercomputer)

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