RSD on Biowulf

Reciprocal Smallest Distance (RSD) is a pairwise orthology algorithm that uses global sequence alignment and maximum likelihood evolutionary distance between sequences to accurately detect orthologs between genomes.

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
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 RSD
[user@cn3144 ~]$ cp -R $RSD_EXAMPLES .
[user@cn3144 ~]$ rsd_search -q examples/genomes/Mycoplasma_genitalium.aa/Mycoplasma_genitalium.aa \
--subject-genome=examples/genomes/Mycobacterium_leprae.aa/Mycobacterium_leprae.aa \
-o Mycoplasma_genitalium.aa_Mycobacterium_leprae.aa_0.8_1e-5.orthologs.txt

[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. RSD.sh). For example:

#!/bin/bash
module load RSD
cp -R $RSD_EXAMPLES .
rsd_search -q examples/genomes/Mycoplasma_genitalium.aa/Mycoplasma_genitalium.aa \
--subject-genome=examples/genomes/Mycobacterium_leprae.aa/Mycobacterium_leprae.aa \
-o Mycoplasma_genitalium.aa_Mycobacterium_leprae.aa_0.8_1e-5.orthologs.txt

Submit this job using the Slurm sbatch command.

sbatch [--cpus-per-task=#] [--mem=#] RSD.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. RSD.swarm). For example:

rsd_search -q path_to_org1.aa --subject-genome=path_to_org2.aa -o org1_org2_0.8_1e-5.orthologs.txt
rsd_search -q path_to_org1.aa --subject-genome=path_to_org3.aa -o org1_org3_0.8_1e-5.orthologs.txt
rsd_search -q path_to_org1.aa --subject-genome=path_to_org4.aa -o org1_org4_0.8_1e-5.orthologs.txt
rsd_search -q path_to_org1.aa --subject-genome=path_to_org5.aa -o org1_org5_0.8_1e-5.orthologs.txt

Submit this job using the swarm command.

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