SLURM 22

[kevinstratford]

We need to take a sweep of the documentation to account for the changes in moving from SLURM 21.x to 22.x.

The main issue to be addressed is the change in the behaviour of #SBATCH --cpus-per-task and possible requirement for SRUN_CPUS_PER_TASK=$SLURM_CPUS_PER_TASK or --cpus-per-task at srun stage.

The following sections should be checked

• [x] user-guide/batch/
• [x] user-guide/singularity/
• [x] user-guide/python/
• [x] user-guide/gpu/ (cannot and could not specify SBATCH --cpus-per-task)
• [x] software-packages/castep/
• [x] software-packages/cp2k/
• [x] software-packages/elements
• [ ] software-packages/flacs
• [ ] software-packages/gaussian
• [x] software-packages/gromacs
• [x] software-packages/helyx
• [x] software-packages/lammps
• [x] software-packages/MATLAB
• [x] software-packages/namd
• [x] software-packages/openfoam
• [x] software-packages/orca
• [x] software-packages/qe
• [x] software-packages/starccm+
• [x] software-packages/vasp
• [x] software-packages/specfem3d
• [x] software-libraries
• [x] software-tools/ddt
• [x] software-tools/scalasca
• [x] software-tools/intel-vtune

I have a branch feature-slurm-22 for these updates.