gutSMASH on Biowulf
gutSMASH is a tool that has been developed to systematically evaluate the metabolic potential of anaerobic bacteria in the gut by predicting both known and novel anaerobic metabolic gene clusters (MGCs) from the gut microbiome. The gutSMASH detection rules have been validated using a curated dataset.
References:
- Andreu, V.P., Augustijn, H.E., Chen, L., et al.Zhernakova, A., Fu, J., Fischbach, M.A., Dodd, D. and Medema, M.H. gutSMASH predicts specialized primary metabolic pathways from the human gut microbiota. Nat Biotechnol 41, 1416–1423 (2023).
Documentation
Important Notes
This application requires a graphical connection using NX
- Module Name: gutsmash (see the modules page for more information)
- Multithreaded: set the -c/--cpus flag to match your allocation.
- This application produces HTML reports. You can use hpcdrive to view these reports on your local workstation.
- Environment variables set
- GUTSMASH_HOME
- Example files in $GUTSMASH_HOME/test
- Reference data in /fdb/gutsmash/
Interactive job
Interactive jobs should be used for debugging, graphics, or applications that cannot be run as batch jobs.
Allocate an interactive session and run the program.
Sample session (user input in bold):
[user@biowulf]$ sinteractive --cpus-per-task 4 salloc.exe: Pending job allocation 46116226 salloc.exe: job 46116226 queued and waiting for resources salloc.exe: job 46116226 has been allocated resources salloc.exe: Granted job allocation 46116226 salloc.exe: Waiting for resource configuration salloc.exe: Nodes cn3144 are ready for job [user@cn3144 ~]$ module load gutsmash [user@cn3144 ~]$ run_gutsmash.py --cpus $SLURM_CPUS_PER_TASK --minimal $GUTSMASH_HOME/test/Streptomyces_coelicolor.gbk [user@cn3144 ~]$ exit salloc.exe: Relinquishing job allocation 46116226 [user@biowulf ~]$
Batch job
Most jobs should be run as batch jobs.
Create a batch input file (e.g. gutsmash.sh). For example:
#!/bin/bash set -e module load gutsmash run_gutsmash --cpus $SLURM_CPUS_PER_TASK --minimal $GUTSMASH_HOME/test/Streptomyces_coelicolor.gbk
Submit this job using the Slurm sbatch command.
sbatch [--cpus-per-task=#] [--mem=#] gutsmash.sh
Swarm of Jobs
A swarm of jobs is an easy way to submit a set of independent commands requiring identical resources.
Create a swarmfile (e.g. gutsmash.swarm). For example:
run_gutsmash.py --cpus $SLURM_CPUS_PER_TASK --minimal sample1.gbk run_gutsmash.py --cpus $SLURM_CPUS_PER_TASK --minimal sample2.gbk run_gutsmash.py --cpus $SLURM_CPUS_PER_TASK --minimal sample3.gbk
Submit this job using the swarm command.
swarm -f gutsmash.swarm [-g #] [-t #] --module gutsmashwhere
-g # | Number of Gigabytes of memory required for each process (1 line in the swarm command file) |
-t # | Number of threads/CPUs required for each process (1 line in the swarm command file). |
--module gutsmash | Loads the gutSMASH module for each subjob in the swarm |