sample sbatch script code example

Example: sample sbatch script

#!/bin/bash
#SBATCH --job-name=g09 
##SBATCH -N 1            #allocete nodes
#SBATCH -n 64			#allocate cpus
##SBATCH --gres=gpu:1 	# allocate gpus
#SBATCH -p longq7-rna	# partition name you want to run
##SBATCH -p shortq7		# partition name you want to run "##" comment
##SBATCH --nodelist=nodeamd002 # allocate specific node called nodeamd002 form longq7-rna partition
#SBATCH --exclude=nodegpu[021-025]  #exclude these nodes in longq7-rna partition
#SBATCH --mail-type=ALL 
#SBATCH --time=168:00:00 # max time
#
# Load the necessary modules, etc...
#
load modudel vmd

vmd -dispdev text *.pdb -eofexit < /mnt/rna/home/userABC/your_vmd_tcl_script.tcl