Fix parallel analysis when ensemble is active#1034
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drroe merged 9 commits intoAmber-MD:masterfrom Jun 16, 2023
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Jenkins timed out in the post-test stage. 🤷♂️ All the builds passed, but the manual and pytraj stages didn't execute. No idea what's up. |
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#1032 changed previous behavior for analysis in parallel when
ensemblehas been used; ensemble masters beyond the first member were no longer performing analysis. This PR restores the old behavior. Also adds a test for this, enables thecalcdiffusiontest, and fixes the clean rule for the GIST test.