VSEARCH on Biowulf

VSEARCH supports de novo and reference based chimera detection, clustering, full-length and prefix dereplication, rereplication, reverse complementation, masking, all-vs-all pairwise global alignment, exact and global alignment searching, shuffling, subsampling and sorting. It also supports FASTQ file analysis, filtering, conversion and merging of paired-end reads.

References:

Documentation
Important Notes

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 --mem=4G --gres=lscratch:5
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 vsearch
[user@cn3144 ~]$ cd /lscratch/$SLURM_JOB_ID
[user@cn3144 46116226]$ cp $VSEARCH_EXAMPLES BioMarKs50k.fsa .
[user@cn3144 46116226]$ vsearch --threads 2 --cluster_fast BioMarKs50k.fsa --id 0.97 --centroids vsearch.out
Reading file BioMarKs50k.fsa 100%
19073093 nt in 49958 seqs, min 32, max 497, avg 382
minseqlength 32: 42 sequences discarded.
Masking 100%
Sorting by length 100%
Counting k-mers 100%
Clustering 100%
Sorting clusters 100%
Writing clusters 100%
Clusters: 4301 Size min 1, max 932, avg 11.6
Singletons: 1856, 3.7% of seqs, 43.2% of clusters
[user@cn3144 46116226]$ 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. vsearch.sh). For example:

#!/bin/bash
module load vsearch
vsearch --threads $SLURM_CPUS_PER_TASK --usearch_global queries.fsa --db database.fsa --id 0.9 --alnout alnout.txt

Submit this job using the Slurm sbatch command, replacing # with appropriate values.

sbatch --cpus-per-task=# --mem=# vsearch.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. vsearch.swarm). For example:

vsearch --threads $SLURM_CPUS_PER_TASK --usearch_global queries1.fsa --db database.fsa --id 0.9 --alnout alnout1.txt
vsearch --threads $SLURM_CPUS_PER_TASK --usearch_global queries2.fsa --db database.fsa --id 0.9 --alnout alnout2.txt
vsearch --threads $SLURM_CPUS_PER_TASK --usearch_global queries3.fsa --db database.fsa --id 0.9 --alnout alnout3.txt
vsearch --threads $SLURM_CPUS_PER_TASK --usearch_global queries4.fsa --db database.fsa --id 0.9 --alnout alnout4.txt

Submit this job using the swarm command.

swarm -f vsearch.swarm [-g #] [-t #] --module vsearch
where
-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 vsearch Loads the VSEARCH module for each subjob in the swarm