Gaussian 16 Linux Page

To avoid common "Error termination" or "Segment violation" crashes, ensure your hardware matches these baseline needs:

Monitor the progress of your calculation in real time using the tail command: tail -f water.log Use code with caution. Troubleshooting Common Linux Errors gaussian 16 linux

#!/bin/bash #SBATCH --job-name=g16_job #SBATCH --nodes=1 #SBATCH --ntasks-per-node=1 #SBATCH --cpus-per-task=16 #SBATCH --mem=60G #SBATCH --time=24:00:00 #SBATCH --partition=compute export g16root=/usr/local source $g16root/g16/g16.login export GAUSS_SCRDIR=/scratch/slurm_job_$SLURM_JOB_ID mkdir -p $GAUSS_SCRDIR g16 < input.gjf > output.log rm -rf $GAUSS_SCRDIR Use code with caution. Troubleshooting Common Errors Error Message / Symptom Root Cause Resolution Erroneous write. Error: Bad address Out of disk space in the scratch directory. Clear old files or expand the volume size of GAUSS_SCRDIR . Segmentation fault Insufficient stack size or mismatched memory allocation. Run ulimit -s unlimited before executing the g16 command. g16: command not found Environment variables are not loaded. To avoid common "Error termination" or "Segment violation"

source ~/.bashrc

: Defines the number of CPU cores assigned to the job. Error: Bad address Out of disk space in

# Check CPU usage top -u $USER

Modify your shell profile ( .bashrc or .bash_profile ) to include the Gaussian path.