“sbatch script.sh” command launch a job to compute.
An example for the submission of a lammps computation.

#!/bin/sh
#SBATCH --job-name=job 
#SBATCH --partition=normal            # submission queue (normal or long or bigmem or bigpu or quadgpu)
#SBATCH --time=1-1:00:00            # 1-1 means one day and one hour
#SBATCH --mail-type=ALL    # Type can be BEGIN, END, FAIL, ALL(any statchange).
#SBATCH --output=job_seq-%j.out        # if --error is absent, includes also the errors
#SBATCH --mem=8G    # T-tera, G-giga, M-mega
#SBATCH --nodes=4   # 4 cpus CPU Numbers
#SBATCH --mail-user=votre_mail@domain.precis
echo "-----------------------------------------------------------"
echo "hostname                     =   $(hostname)"
echo "SLURM_JOB_NAME               =   $SLURM_JOB_NAME"
echo "SLURM_SUBMIT_DIR             =   $SLURM_SUBMIT_DIR"
echo "SLURM_JOBID                  =   $SLURM_JOBID"
echo "SLURM_JOB_ID                 =   $SLURM_JOB_ID"
echo "SLURM_NODELIST               =   $SLURM_NODELIST"
echo "SLURM_JOB_NODELIST           =   $SLURM_JOB_NODELIST"
echo "SLURM_TASKS_PER_NODE         =   $SLURM_TASKS_PER_NODE"
echo "SLURM_JOB_CPUS_PER_NODE      =   $SLURM_JOB_CPUS_PER_NODE"
echo "SLURM_TOPOLOGY_ADDR_PATTERN  = $SLURM_TOPOLOGY_ADDR_PATTERN"
echo "SLURM_TOPOLOGY_ADDR          =   $SLURM_TOPOLOGY_ADDR"
echo "SLURM_CPUS_ON_NODE           =   $SLURM_CPUS_ON_NODE"
echo "SLURM_NNODES                 =   $SLURM_NNODES"
echo "SLURM_JOB_NUM_NODES          =   $SLURM_JOB_NUM_NODES"
echo "SLURMD_NODENAME              =   $SLURMD_NODENAME"
echo "SLURM_NTASKS                 =   $SLURM_NTASKS"
echo "SLURM_NPROCS                 =   $SLURM_NPROCS"
echo "SLURM_MEM_PER_NODE           =   $SLURM_MEM_PER_NODE"
echo "SLURM_PRIO_PROCESS           =   $SLURM_PRIO_PROCESS"
echo "-----------------------------------------------------------"

# USER Commands
# Move to /scratch or launch from it
# mv directory
# special commands for openmpi/gcc

module load openmpi/gcc/64/1.10.7

# lammps

module load lammps
./lmp-mpi etc arg agr < file.txt
# end of the USER commands

Launching several tasks in the same job.

Here is a solution if you want to run several tasks in the same job :

Suppose you want to run four commands in parallel, called my_cmd1, my_cmd2, my_cmd3, and my_cmd4. In this case, you need to add these commands to your Slurm script, placing an & at the end of each command line to run them in the background. Don’t forget to add the wait command at the end of your script, as it ensures that the job will wait for all the commands to finish before completing. Otherwise, your job may finish before the four commands have had a chance to execute.

Additionally, make sure to configure the number of tasks to run in parallel by using the option #SBATCH --ntasks-per-node=4 (or a number suited to your needs).

This gives :

#!/bin/sh
#SBATCH --job-name=job
#SBATCH --partition=normal            # submission queue (normal or long or bigmem or bigpu or quadgpu)
#SBATCH --time=1-1:00:00            # 1-1 means one day and one hour
#SBATCH --ntasks-per-node=4            # 1-1 means one day and one hour
# Define all your sbatch parameters you need here
# ...

echo "-----------------------------------------------------------"
echo "hostname                     =   $(hostname)"
echo "SLURM_JOB_NAME               =   $SLURM_JOB_NAME"
# displays all pieces of information that you need
# ...
echo "-----------------------------------------------------------"

./my_cmd1&
./my_cmd2&
./my_cmd3&
./my_cmd4&
wait