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Lucia issues #563
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Undefined variable |
@wadejong Could you describe the software stack you used to run the QA test |
@edoapra Sorry, this ended up being an input bug that only showed up in parallel as we do some analysis to maximize parallel distribution of the CI vectors. Replacing the input file by the following will resolve the issue: title "MCSCF H2" start h2mol charge 0 basis cartesian scf task scf ignore set lucia:nactel 2 |
Could you upload the input and output files that work for a 2 processors run?
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Do you want me to update master or do a pull request? |
A pull request works better. If you assign me as a reviewer, I could add (if needed) changes on top your existing ones. |
This a place to keep track of issues for the lucia module
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