Version vom 20. September 2021, 22:55 Uhr

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.

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.

@@ Zeile 7: / Zeile 7: @@
 = Queueing system: [https://slurm.schedmd.com/documentation.html Slurm] =
+* <code>sinfo</code> displays the cluster's total load.
+* <code>squeue</code> shows running jobs.
 * Currently, there's just one ''partiton'': "a-cluster"
 * In the most simple cases, jobs are submitted via <code>sbatch -n</code> ''n'' ''script-name''.
 * <code>srun</code> is intended for interactive jobs (stdin+stdout+stderr stay attached to the terminal) and its <code>-n</code> doesn't only reserve ''n'' cores but starts ''n'' jobs. (Those shouldn't contain <code>mpirun</code>, otherwise you'd end up with ''n''² busy cores.)
-* Assigning cores to jobs can be non-trivial: [[Slurm/Task-Affinity|task affinity]]
+* The assignment of cores can be non-trivial (cf. also [[Slurm/Task-Affinity|task affinity]]), some rules:
+** gromacs: '''Don't''' use its <code>-pin</code> options.
 = Intel Compiler & Co. =