Gaussian - 16 Linux

If you are a computational chemist, the phrase "segmentation fault" triggers a specific kind of PTSD. For years, running Gaussian on Windows was the default for many students, but ask any high-throughput researcher: Linux is the native habitat of Gaussian 16.

cd /opt/g16 ln -sf g16_avx2 g16 Linux handles I/O differently than Windows. Gaussian’s algorithm relies heavily on reading/writing to disk. If you use a standard SATA SSD, your expensive CPU will spend 80% of its time waiting. Gaussian 16 Linux

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 : If you are a computational chemist, the phrase

This usually means your shell limits are too low. Linux has a hard limit on "Max user processes." If you are using ssh , you may

0 1 [Coordinates]