Flexible number of AoSoA and vector lengths

ECP-copa / CabanaMD

Molecular dynamics proxy application based on Cabana

Other

19 stars 14 forks source link

Flexible number of AoSoA and vector lengths #30

Closed streeve closed 4 years ago

streeve commented 4 years ago

Enable split/combined AoSoA and change of vector length at build time with CMake options. Easy addition of additional AoSoA splits for either main particle properties or NNP per-atom variables

Closes #22

streeve commented 4 years ago

Moving to WIP while I track down some MPI errors

sslattery commented 4 years ago

@streeve I see this is WIP - do you want a review?

streeve commented 4 years ago

@streeve I see this is WIP - do you want a review?

Yes, a review would be helpful, but I'm still trying to fix MPI bugs

streeve commented 4 years ago

@sslattery I think I've fixed the previous issues with this by being more careful with my shared pointers. It's also much cleaner with the recent cmake updates

streeve commented 4 years ago

@junghans any idea why clang-format thinks one file should have a completely different style? Thanks

junghans commented 4 years ago

@junghans any idea why clang-format thinks one file should have a completely different style? Thanks

Maybe windows line ending....

streeve commented 4 years ago

Turns out the clang-format issue is a specific variant of Kokkos View declaration. @sslattery this should be ready for another review