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
This is the last part of https://github.com/QMCPACK/qmcpack/pull/5061
All the template variants are explicitly compiled. This is now prepared for the final (long term) target with all the build variants fused.
Explicit template exposed that a few functions of DiracMatrixComputeOMPTarget cannot be compiled and hence I tried to keep a minimal DiracMatrixComputeOMPTarget.
Since DiracMatrixComputeOMPTarget is indeed a fallback running on host, I simplified the code in DiracDeterminantBatched::mw_invertPsiM
What type(s) of changes does this code introduce?
Refactoring (no functional changes, no api changes)
Does this introduce a breaking change?
No
What systems has this change been tested on?
epyc-server
Checklist
Yes. This PR is up to date with current the current state of 'develop'
ye-luo
commented
1 week ago
Proposed changes
This is the last part of https://github.com/QMCPACK/qmcpack/pull/5061 All the template variants are explicitly compiled. This is now prepared for the final (long term) target with all the build variants fused. Explicit template exposed that a few functions of DiracMatrixComputeOMPTarget cannot be compiled and hence I tried to keep a minimal DiracMatrixComputeOMPTarget. Since DiracMatrixComputeOMPTarget is indeed a fallback running on host, I simplified the code in
DiracDeterminantBatched::mw_invertPsiMWhat type(s) of changes does this code introduce?
Does this introduce a breaking change?
What systems has this change been tested on?
epyc-server
Checklist