diff --git a/config/config.yaml b/config/config.yaml index 7933f03..aebb12e 100644 --- a/config/config.yaml +++ b/config/config.yaml @@ -96,25 +96,3 @@ PYPLOT: "vis/matplotlib/3.4.2-foss-2021b" PYTHON: "lang/Python/3.7.4-GCCcore-8.3.0" VENN: "vis/matplotlib-venn/0.11.6-foss-2020b-Python-3.8.6" - -#Cluster configuration -DOCKING: - mem_mb_per_cpu: 3000 - jobname: docking - partition: covid19,parallel - ntasks: 384 - constraint: caskadelake,skylake - -ENERGY_MIN: - jobname: energyMin - mem_mb: 350 - partition: smp,covid19 - threads: 1 - walltime_minutes: 90 - -DOCKING_RESULTS: - jobname: results - mem_mb: 65000 - partition: smp - threads: 2 - walltime_minutes: 300 diff --git a/profiles/Mogon-NHR/config.yaml b/profiles/Mogon-NHR/config.yaml new file mode 100644 index 0000000..9af9c4f --- /dev/null +++ b/profiles/Mogon-NHR/config.yaml @@ -0,0 +1,18 @@ +default-resources: + slurm_partition: smallcpu + mem_mb_per_cpu: 1800 + runtime: "30m" + clusters: "mogonnhr" + +set-resources: + docking: + mem_mb_per_cpu: 3000 + slurm_partition: parallel + ntasks: 512 + energyMin: + mem_mb: 350 + runtime: 90 + results: + mem_mb: 65000 + runtime: 300 +