Gaussian 16 Linux [portable] -

g16 < input.com > $SLURM_JOB_ID.log

Molecular geometry is unstable or electronic structure is complex.

Gaussian 16 official binaries are tested on unmodified original media/ISO images of major distributions. For Revision C.01, the validated environments include: gaussian 16 linux

Modify your input file directive line to include alternative convergence algorithms, such as #P DFT=QC (Quadratic Convergence) or #P SCF=(MaxCycle=512,Direct) . 6. Integrating with Cluster Schedulers (SLURM)

To run Gaussian 16 seamlessly from any terminal session, you must initialize its environment variables. Gaussian provides a built-in initialization script for this purpose. g16 &lt; input

Comprehensive Guide to Installing and Running Gaussian 16 on Linux

High-level Density Functional Theory (DFT) calculations and post-Hartree-Fock methods like MP4 and CC. Comprehensive Guide to Installing and Running Gaussian 16

g16 < $SLURM_SUBMIT_DIR/input.com > $SLURM_SUBMIT_DIR/output.log

Usually means GAUSS_SCRDIR is full or permissions are wrong.

If you want, I can:

Before installing, ensure these dependencies are present: