Configuration of queue submission

Below, instructions for SLURM are provided. Based on this example scripts for other queuing systems can be written. Essential placeholders are {{cpu}} which is replaced automatically by the number of cpus choosen in the GUI, {{logfile}} and {{command}}. The memory required for one process is usually around 1-2 GB.

SLURM

Create a sbatch submission script in any location. A minimal example is provided below:

#SBATCH --account=<ACCOUNT_IF_REQUIRED>
#SBATCH --job-name=relax
#SBATCH --cpus-per-task={{cpu}}
#SBATCH --ntasks=1
#SBATCH --nodes=1
#SBATCH --ntasks-per-node=1
#SBATCH --output={{logfile}}
#SBATCH --error={{logfile}}
#SBATCH --partition=<NAME_OF_PARTITION>
#SBATCH --mem-per-cpu=2G

{{command}}

In the GUI navigate to the settings dialog and load the sbatch submission script as "queue template".

Enter sbatch as submission command and scancel as cancel command.