Gaussian 16 Linux Jun 2026

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.

du -sh $GAUSS_SCRDIR

FROM ubuntu:20.04 RUN apt update && apt install -y csh libgfortran4 COPY g16 /opt/g16 ENV g16root=/opt ENV GAUSS_EXEDIR=/opt/g16 ENV PATH=/opt/g16:$PATH gaussian 16 linux

This tells Gaussian to fill 20 GB of space in /scratch1/loc1 , move to /scratch2/loc2 for another 20 GB, and put the remainder ( -1 ) in /scratch3/loc3 . Step 6: Integrating with Cluster Job Schedulers To run a job across multiple cores on