QMCPACK / QMCPACK/qmcpack

test_ion_derivs not working with NLPP batching

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#3,173 0 comments 0 reactions 0 assignees View on GitHub
Dominant language
C++
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Description

**Describe the bug**
Offload turns on batched NLPP by default but MSD doesn't have corresponding implementations.
#3177 forced taking non-batched code-path
When I enabled the batched code-path, I got crazy numbers, so need to have a look.

**To Reproduce**
Steps to reproduce the behavior:
1. edit test_ion_derivs test source file by changing algorithm to "batched"

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