Update gaussian.md

docs.it4i/software/chemistry/gaussian.md

-!!!warning
-    This page has not been updated yet. The page does not reflect the transition from PBS to Slurm.
-
 # Gaussian
 
 ## Introduction
@@ -90,7 +87,7 @@ Include the `%UseSSH` keyword, as well. This enables Linda to spawn parallel wor
 ```
 
 The number and placement of Linda workers may be controlled by %LindaWorkers keyword or by
-GAUSS_WDEF environment variable. When running multi-node job via the PBS batch queue, loading
+GAUSS_WDEF environment variable. When running multi-node job via the batch queue, loading
 the Linda-enabled module **automatically sets the `GAUSS_WDEF` variable** to the correct node-list, using one worker per node.
 In combination with the %CPU keyword, this enables a full-scale multi-node execution.
 
@@ -211,12 +208,13 @@ up automatically by the module load.
 
 ```bash
 #!/bin/bash
-#PBS -A OPEN-0-0
-#PBS -q qprod -N MyJobName
-#PBS -l select=4
+#SBATCH --account=PROJECT_ID
+#SBATCH --partition=qcpu
+#SBATCH --job-name=MY_JOB
+#SBATCH --nodes=4
 
 # change to workdir
-cd $PBS_O_WORKDIR
+cd $$SLURM_SUBMIT_DIR
 
 # load Gaussian Linda enabled module and set up Linda
 ml Gaussian/16_rev_c0-binary-Linda
@@ -225,7 +223,7 @@ ml Gaussian/16_rev_c0-binary-Linda
 GAUSS_SCRDIR=/scratch/work/project/open-0-0/GaussianJob
 mkdir -p $GAUSS_SCRDIR
 cd $GAUSS_SCRDIR || exit
-cp $PBS_O_WORKDIR/* .
+cp $SLURM_SUBMIT_DIR/* .
 
 # run Gaussian calculation
 # g16 < input.inp > output.out
@@ -252,7 +250,7 @@ A 109.471221
 EOF
 
 # copy output files to home
-	cp * $PBS_O_WORKDIR/. && cd ../
+	cp * $SLURM_SUBMIT_DIR/. && cd ../
 
 # delete scratch directory
 rm -rf $GAUSS_SCRDIR