Linux cluster with currently 13 compute nodes (CPUs: 416 cores, GPUs: 8x RTX 2080 + 18x RTX 3090), purchased by Ana Vila Verde and Christopher Stein

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External address is 134.91.59.31 (will change soon and then get a hostname), internal hostname is stor2.

Queueing system: Slurm

sinfo displays the cluster's total load.
squeue shows running jobs.
Currently, there's just one partiton: "a-cluster"
In the most simple cases, jobs are submitted via sbatch -n n script-name.
srun is intended for interactive jobs (stdin+stdout+stderr stay attached to the terminal) and its -n doesn't only reserve n cores but starts n jobs. (Those shouldn't contain mpirun, otherwise you'd end up with n² busy cores.)
The assignment of cores can be non-trivial (cf. also task affinity), some rules:
- gromacs: Don't use its -pin options.

is located in /opt/intel/oneapi
must be made available via module use /opt/intel/oneapi/modulefiles (unless you include /opt/intel/oneapi/modulefiles in your MODULEPATH), then module avail lists the available modules.