Snakemake executor plugin: pcluster-slurm v_0.0.7_

Snakemake Executor Plugins (generally)

Snakemake plugin catalog docs.

pcluster-slurm plugin

AWS Parallel Cluster, pcluster slurm

AWS Parallel Cluster is a framework to deploy and manage dynamically scalable HPC clusters on AWS, running SLURM as the batch system, and pcluster manages all of the creating, configuring, and deleting of the cluster compute nodes. Nodes may be spot or dedicated. note, the AWS Parallel Cluster port of slurm has a few small, but critical differences from the standard slurm distribution. This plugin enables using slurm from pcluster head and compute nodes via snakemake >=v8.*.

Daylily Bfx Framework

Daylily is a bioinformatics framework that automates and standardizes all aspects of creating a self-scaling ephemeral cluster which can grow from 1 head node to many thousands of as-needed compute spot instances (modulo your quotas and budget). This is accomplished by using AWS Parallel Cluster to manage the cluster, and snakemake to manage the bfx workflows. In this context, slurm is the intermediary between snakemake and the cluster resource management. The pcluster slurm variant does not play nicely with vanilla slurm, and to date, the slurm snakemake executor has not worked with pcluster slurm. This plugin is a bridge between snakemake and pcluster-slurm.

Pre-requisites

Snakemake >=8.*

Conda

conda create -n snakemake -c conda-forge -c bioconda snakemake==8.20.6
conda activate snakemake

Installation (pip)

from an environment with snakemake and pip installed

pip install snakemake-executor-plugin-pcluster-slurm

Example Usage daylily cluster headnode

mkdir -p /fsx/resources/environments/containers/ubuntu/cache/
export SNAKEMAKE_OUTPUT_CACHE=/fsx/resources/environments/containers/ubuntu/cache/
snakemake --use-conda --use-singularity -j 10  --singularity-prefix /fsx/resources/environments/containers/ubuntu/ip-10-0-0-240/ --singularity-args "  -B /tmp:/tmp -B /fsx:/fsx  -B /home/$USER:/home/$USER -B $PWD/:$PWD" --conda-prefix /fsx/resources/environments/containers/ubuntu/ip-10-0-0-240/ --executor pcluster-slurm --default-resources slurm_partition='i64,i128,i192' --cache  --verbose -k

What Partitions Are Available?

Use sinfo to learn about your cluster (note, sinfo reports on all potential and active compute nodes. Read the docs to interpret which are active, which are not yet requested s
pot instances, etc). Below is what the daylily AWS parallel cluster looks like.

sinfo
PARTITION AVAIL  TIMELIMIT  NODES  STATE NODELIST
i8*          up   infinite     12  idle~ i8-dy-gb64-[1-12]
i64          up   infinite     16  idle~ i64-dy-gb256-[1-8],i64-dy-gb512-[1-8]
i96          up   infinite     16  idle~ i96-dy-gb384-[1-8],i96-dy-gb768-[1-8]
i128         up   infinite     28  idle~ i128-dy-gb256-[1-8],i128-dy-gb512-[1-10],i128-dy-gb1024-[1-10]
i192         up   infinite     30  idle~ i192-dy-gb384-[1-10],i192-dy-gb768-[1-10],i192-dy-gb1536-[1-10]
a192         up   infinite     30  idle~ a192-dy-gb384-[1-10],a192-dy-gb768-[1-10],a192-dy-gb1536-[1-10]

• As I look at this, it is possible that if unset, the partition will default to i8 in the output above. Maybe.

Other Cool Stuff

Real Time Cost Tracking & Use Throttling via Budgets, Tagging ... and the --comment sbatch flag.

I etensively make use of Cost allocation tags with AWS ParallelCluster in the daylily omics analysis framework $3 30x WGS analysis to track AWS cluster usage costs in realtime, and impose limits where appropriate (by user and project). This makes use of overriding the --comment flag to hold project/budget tags applied to ephemeral AWS resources, and thus enabling cost tracking/controls.

• To change the --comment flag in v0.0.8 of the pcluster-slurm plugin, set the comment flag value in the envvar SMK_SLURM_COMMENT=RandD (RandD is the default).