Gaussian 16 Revision C.01
Gaussian 16 Revision C.01 is a maintenance and performance update for the Gaussian electronic structure modeling suite. This specific revision focuses on improving parallel efficiency and expanding hardware compatibility, particularly for High-Performance Computing (HPC) environments. Key Performance and Algorithm Improvements
- Linux x86_64 (Red Hat Enterprise, CentOS, Ubuntu LTS, SUSE)
- Windows 10/11 (via Windows Subsystem for Linux, WSL2 – but limited performance)
- macOS (Intel and Apple Silicon via Rosetta, though not recommended for heavy jobs)
Key Changes from Rev B.01 to Rev C.01:
- Stability fixes for geometry optimizations with diffuse functions.
- Correction in coupled-cluster gradients for open-shell systems.
- Improved parallel efficiency for RI-MP2 (Resolution of Identity MP2).
- Updated density fitting default thresholds for large systems.
- Better handling of checkpoint files when restarting frequency jobs.
1. What is Gaussian 16 Rev C.01?
- Major release: Gaussian 16 (G16)
- Revision: C.01
- Significance: One of the later stable revisions of G16. It includes bug fixes and performance improvements over Rev A.xx and B.01.
- Key improvements over earlier revisions: