Open boundary conditions spindensity estimator crashes

QMCPACK / qmcpack

Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance portable GPU support

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Open boundary conditions spindensity estimator crashes #2620

Open prckent opened 4 years ago

prckent commented 4 years ago

Describe the bug https://cdash.qmcpack.org/CDash/testDetails.php?test=9252705&build=132150

This test fails stating that the estimator is not yet implemented. Can we implement it simply, or should the test be modified? I am asking this question in the spirit of getting the nightlies to "green" on cdash.

To Reproduce

ctest -R short-LiH_dimer_pp-vmc_hf_sdj_estimator_spindensity

Expected behavior Test passes

System: nitrogen and sulfur.

Additional context

prckent commented 4 years ago

@jtkrogel Comments on preferred route?

jtkrogel commented 4 years ago

I think the best thing for now is to disable the test. The relevant code needs to be recreated and we have not had a request for this feature in all the intervening time.

ye-luo commented 2 years ago

Probably we should do something to make the tests green by either fixing the code or mark the test expected to fail. https://cdash.qmcpack.org/CDash/testSummary.php?project=1&name=short-LiH_pp-vmc_hf_sdj_estimator_spindensity-4-4&date=2022-01-21