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
http://www.qmcpack.org
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Move resource out of delayed update engines into DiracDeterminantBatched #4988

Closed ye-luo closed 4 months ago

ye-luo commented 4 months ago

Proposed changes

Not fully done. Make resource consumed by delayed update engines explicit. Ownership goes to DiracDeterminantBatched.

What type(s) of changes does this code introduce?

Does this introduce a breaking change?

What systems has this change been tested on?

epyc

Checklist

ye-luo commented 4 months ago

Test this please