QMCPACK / QMCPACK/qmcpack

Integration test needed for the ACForce estimator

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#2,238 9 comments 0 reactions 1 assignee Claimed by @PDoakORNL View on GitHub
bug force
Dominant language
C++
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Description

QMCPACK runs with the ACForce estimator crash at launch with the latest code (since around Jan 16). The error message is something like the following:

> Resetting Properties of the walkers 1 x 50
ERROR You cannot resize a constant size matrix beyond its initial max dimensions
Fatal Error. Aborting at Unhandled Exception
*** The MPI_Abort() function was called after MPI_FINALIZE was invoked.
*** This is disallowed by the MPI standard.
*** Your MPI job will now abort.
[psi3:13270] Local abort after MPI_FINALIZE started completed successfully, but am not able to aggregate error messages, and not able to guarantee that all other processes were killed!

I take suggestions to better pinpoint where this is coming from. Sample inputs are attached:
[vmc_force_jan2020.tar.gz](https://github.com/QMCPACK/qmcpack/files/4099192/vmc_force_jan2020.tar.gz)

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