Summary

• detect hipcub via CMake, and take advantage of the hip::host and hip::hipcub targets. we don't want to assume where header include path is.
• fixup broken HIP code path in GPU package. num_atoms was not defined in case of USE_HIP_DEVICE_SORT.
• drop hcc as HIP_PLATFORM, any modern ROCm install will use amd (only 5.1+ are worth looking at).

Related Issue(s)

Author(s)

@rbberger

Licensing

By submitting this pull request, I agree, that my contribution will be included in LAMMPS and redistributed under either the GNU General Public License version 2 (GPL v2) or the GNU Lesser General Public License version 2.1 (LGPL v2.1).

Backward Compatibility

Implementation Notes

Bug was introduced by 4244d2e

Post Submission Checklist

• The feature or features in this pull request is complete
• Licensing information is complete
• Corresponding author information is complete
• The source code follows the LAMMPS formatting guidelines
• Suitable new documentation files and/or updates to the existing docs are included
• The added/updated documentation is integrated and tested with the documentation build system
• The feature has been verified to work with the conventional build system
• The feature has been verified to work with the CMake based build system
• Suitable tests have been added to the unittest tree.
• A package specific README file has been included or updated
• One or more example input decks are included

Further Information, Files, and Links