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H4 orb opt dmc test crashes

Open prckent opened this issue 2 years ago • 0 comments

Describe the bug

https://cdash.qmcpack.org/CDash/testSummary.php?project=1&name=short-H4-orb-opt-dmc-16-1&date=2023-02-21

This has been broken for some time. There is a crash on starting DMC. This should be investigated to see if there is some missing plumbing or more simply if the input needs updating. Since this uses the old drivers we could decide what to do once the problem is diagnosed.

To Reproduce Current development version, CPU build. No special requirements.

Expected behavior

Execution completes.

System:

Nightly test config, sulfur.

Additional context

I ran ctest -j 48 --output-on-failure -R ".*H4.*" only this dmc test crashed. Several failed energy checks.

The following tests FAILED:
        731 - short-H4-RHF-orb-opt-16-1-totenergy (Failed)
        735 - short-H4-orb-opt-1-16-totenergy (Failed)
        736 - short-H4-orb-opt-dmc-16-1 (Failed)
        737 - short-H4-orb-opt-dmc-16-1-totenergy (Failed)
        755 - short-H4-batched-hybrid-16-1-totenergy (Failed)
        757 - short-H4-batched-hybrid-1-16-totenergy (Failed)
        771 - short-H4-optbatch-OneShiftOnly-multistep-1-16-totenergy (Failed)
        774 - short-H4-msd-orb-opt-16-1-totenergy (Failed)
Errors while running CTest

prckent avatar Feb 21 '23 16:02 prckent