– Functional, but bureaucratic and hostile to modern DevOps practices.
Add the following lines to ~/.bash_profile (or ~/.bashrc ): gaussian 16 linux
Add the following to your ~/.bashrc (or system-wide /etc/profile.d/gaussian.sh ): – Functional, but bureaucratic and hostile to modern
sudo nvidia-smi -i <GPU_ID> -e 1 sudo reboot gaussian 16 linux
g16 myjob.gjf # reads from myjob.gjf → writes to myjob.log g16 < input.gjf > output.log # explicit redirection
Verify user read/execute group permissions on the entire g16 folder hierarchy. Conclusion
Gaussian performs heavy I/O operations to a scratch directory. It is to set GAUSS_SCRDIR to a location with fast disk access (preferably an SSD or a dedicated scratch partition) and sufficient space.