Gaussian 16 Revision C.01

A standout feature of Revision C.01 was the introduction of support for NVIDIA V100 (Volta) and preparation for A100 (Ampere)

What do you need to calculate (e.g., optimization, NMR, UV-Vis)? What functional and basis set do you prefer? gaussian 16 revision c.01

Gaussian predicts the energies, molecular structures, vibrational frequencies, and numerous molecular properties of systems in the gas phase and in solution. Moving from Gaussian 09 to Gaussian 16 introduced massive scaling improvements, particularly for large molecules and TD-DFT frequency calculations. Revision C.01 builds directly upon this foundation, ensuring that the underlying algorithms run flawlessly across highly parallelized modern computing clusters. Key Technical Enhancements in Revision C.01 A standout feature of Revision C

: Maintains compatibility with older AVX instruction sets while fully utilizing modern AVX2 and AVX-512 extensions. Recommended System Specifications Hardware Component Minimum Requirement Recommended Specification Processor (CPU) 4 Cores (Intel/AMD) 32+ Cores (AMD EPYC or Intel Xeon) Memory (RAM) 4 GB to 8 GB per CPU core Storage 100 GB Solid State Drive 2 TB+ NVMe SSD (High write endurance) Network Standard Ethernet InfiniBand (Required for Linda clustering) Moving from Gaussian 09 to Gaussian 16 introduced

Revision C.01 builds upon the core foundation of Gaussian 16 by focusing on software stability, algorithm refinement, and hardware efficiency. 1. Enhanced Parallel Processing