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More helpful error message when trying to run koopmans with mpirun #190

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elinscott opened this issue Oct 13, 2022 · 0 comments

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elinscott commented Oct 13, 2022

Currently koopmans crashes in a very undignified way if someone tries to run it with mpirun rather than setting PARA_PREFIX as intended.

We should see if it is possible for koopmans to stop with a helpful error message in these instances.

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