#!/bin/bash export g16root=/opt/gaussian export GAUSS_SCRDIR=/scratch/gaussian source $g16root/g16/bsd/g16.profile export PATH=$PATH:$g16root/g16
| Directive | Purpose | |-----------|---------| | %nprocshared=8 | Use 8 CPU cores | | %mem=16GB | Allocate 16 GB RAM | | %LindaWorkers=node1:2,node2:2 | Distributed across nodes (requires Linda) | gaussian 16 linux
linda g16 < input.com > output.log
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Reload your shell and test:
Download the G16 archive (e.g., G16-AvX.Tar ) from the Gaussian website or insert the physical media. gaussian 16 linux