The official QUICK version released in 2025.
This version is also shipped with AmberTools25 (https://ambermd.org/AmberTools.php) as a built-in QM engine.
Short changelog for this release:
- AMD GPU support restored for HIP/MPI+HIP codes (requires ROCm <= v5.4.2, >= v6.2.1 due to known ROCm bugs)
- Added Clang and NVHPC SDK (PGI) compiler support and fixes for MacOS builds
- GPU code improvements (refactoring to unify codes, reduce memory utilization, provide better error checking, and apply fixes)
- Updated SAD guesses to fix SCF performance regression (to match those with QUICK-21.03 for faster SCF convergence)
- Various other bug fixes, optimizations, and test updates (expanded automated CI testing on Github)
- QUICK-25.03 available with AmberTools 2025