If you see avx2 , use that binary. Rename the link:

Whether you are setting up a local workstation (like an AMD Threadripper + 4090 build) or logging into a university HPC cluster, running G16 on Linux isn't just faster—it unlocks the full potential of the software.

Do not run this as root. Create a dedicated user (e.g., gaussian ).

Here is your no-fluff guide to installing, optimizing, and debugging Gaussian 16 on a Linux environment (CentOS/RHEL/Ubuntu). Unlike modern software, Gaussian 16 doesn't come with a pretty ./configure script. It comes as a tarball (usually G16_AVX2.tbz ). The installation is essentially extraction and declaration .

ulimit -s unlimited ulimit -n 65536 ulimit -u unlimited Add these to your g16.sub script. If you are using ssh , you may need to edit /etc/security/limits.conf :

Gaussian 16 Linux
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