Gaussian 16 Linux Work

Usually means GAUSS_SCRDIR is full or permissions are wrong.

Are you deploying on a or an HPC cluster (using SLURM/PBS)?

g16 < test.gjf > test.log

Dictates how many CPU threads Gaussian will utilize on a single node. Managing Scratch Files

This yields incredible I/O speeds but consumes physical RAM. gaussian 16 linux

Intel or AMD x86_64 processors. Multicore processors are highly recommended for parallel execution.

To run a job across multiple cores on a single machine, use the %NProcShared directive in your input file ( .gjf or .com ): %NProcShared=16 %Mem=32GB #P B3LYP/6-31G(d) Opt Use code with caution. Usually means GAUSS_SCRDIR is full or permissions are wrong

Fast scratch space is critical. Use local NVMe SSDs rather than network-attached storage (NAS) to prevent I/O bottlenecks. Software Dependencies

%nprocshared=4 %nproclinda=4