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:
- Wall, D.P., Fraser, H.B. and Hirsh, A.E. Detecting putative orthologs Bioinformatics (2013), 19:1710-1711.
Documentation
- RSD Main Site: https://github.com/todddeluca/reciprocal_smallest_distance
Important Notes
- Module Name: RSD (see the modules page for more information)
- Singlethreaded
- Environment variables set
- RSD_EXAMPLES
- Example files in $RSD_EXAMPLES
Interactive job
Interactive jobs should be used for debugging, graphics, or applications that cannot be run as batch jobs.
Allocate an interactive session and run the program.
Sample session (user input in bold):
[user@biowulf]$ 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 RSDwhere
-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 |