| MPIBLAST |
|---|
| Description: Parallel implementation of NCBI BLAST |
| SHARCNET Package information: see MPIBLAST software page in web portal |
| Full list of SHARCNET supported software |
GETTING STARTED
Mpiblast is not loaded by default on the clusters therefore load the module:
module load mpiblast/1.6.0
EXAMPLE1 - DROSOPH
Copy sample problem files (fasta database and input) into a directory under work:
mkdir /work/$USER/samples/mpiblast/test1; rm -f /work/$USER/samples/mpiblast/test1/*; cd /work/$USER/samples/mpiblast/test1 cp /opt/sharcnet/mpiblast/1.6.0/examples/drosoph.in drosoph.in gunzip -c /opt/sharcnet/mpiblast/1.6.0/examples/drosoph.nt.gz > drosoph.nt
Create hidden configuration file to define a Shared storage location between nodes and a Local storage directory available on each compute node as follows:
[username@orc-login1:/work/roberpj/samples/mpiblast/test1] vi .ncbirc [NCBI] Data=/opt/sharcnet/mpiblast/1.6.0/data [BLAST] BLASTDB=/scratch/$USER/mpiblasttest1 BLASTMAT=/work/$USER/samples/mpiblast/test1 [mpiBLAST] Shared=/scratch/$USER/mpiblasttest1 Local=/tmp
Partition the database into 8 fragments to a cluster local scratch storage location:
mkdir /scratch/$USER/mpiblasttest1; rm -f /scratch/$USER/mpiblasttest1; cd /work/$USER/samples/mpiblast/test1 mpiformatdb -N 8 -i drosoph.nt -o T -p F -n /scratch/$USER/testmpiblast1
Submit a short job with a 15m time limit. If all goes well output results will be written to drosoph.out and the execution time will appear in ofile%J where %J is the job number:
cd /work/$USER/samples/mpiblast/test1 sqsub -r 15m -n 8 -q mpi -o ofile%J mpiblast -d drosoph.nt -i drosoph.in -p blastn -o drosoph.out --use-parallel-write --use-virtual-frags
Sample output results computed previously with BLASTN 2.2.15 [Oct-15-2006] are included in /opt/sharcnet/mpiblast/1.6.0/examples/ROSOPH.out to compare with.
EXAMPLE2 - BIOBREW
This example is provided to show some extra options and switchs that maybe useful for debugging and dealing with larger databases. As before copy sample problem files into a directory under work:
mkdir /work/$USER/samples/mpiblast/test2; rm -f /work/$USER/samples/mpiblast/test2/*; cd /work/$USER/samples/mpiblast/test2 cp /opt/sharcnet/mpiblast/1.6.0/examples/il2ra.in il2ra.in gunzip -c /opt/sharcnet/mpiblast/1.6.0/examples/Hs.seq.uniq.gz > Hs.seq.uniq
Create hidden configuration file using the vi editor to define a Shared storage location between nodes and a Local storage directory available on each compute node as follows, where the Data directory is not yet populated or used in this example and hence can be ommitted. If its desired the Local and Shared directories are the same then replace --copy-via=mpi with --copy-via=none as demonstrated in the below sqsub commands:
[username@orc-login1:/work/roberpj/samples/mpiblast/test1] vi .ncbirc [NCBI] Data=/opt/sharcnet/mpiblast/1.6.0/data [BLAST] BLASTDB=/work/$USER/mpiblasttest2 BLASTMAT=/work/$USER/samples/mpiblast/test2 [mpiBLAST] Shared=/work/$USER/mpiblasttest2 Local=/tmp
Partition the database into 16 fragments directly in the work directly:
mkdir /scratch/$USER/mpiblasttest2; rm -f /scratch/$USER/mpiblasttest2; cd /work/$USER/samples/mpiblast/test1 mpiformatdb -N 16 -i Hs.seq.uniq -o T -p F
Submit a couple of short jobs 15m time limit. If all goes well output results will be written to biobrewA.out and biobrewB.out and the execution time will appear in corresponding ofile%J's where %J is the job number.
A) In this job submission fragment files are first copied from work to local /tmp before being used (appropriate if work is slow). Usage of the profile option is also shown in this example:
cd /work/$USER/samples/mpiblast/test2; rm -f oTime* sqsub -r 15m -n 18 -q mpi -o ofile%J mpiblast --use-parallel-write --copy-via=mpi -d Hs.seq.uniq -i il2ra.in -p blastn -o biobrew.out --time-profile=oTime
B) In this job submission fragment files are not copied but used inplace on work. Usage of the debug option is also shown in this example.
cd /work/$USER/samples/mpiblast/test2; rm -f oLog* sqsub -r 15m -n 18 -q mpi -o ofile%J mpiblast --use-parallel-write --copy-via=none -d Hs.seq.uniq -i il2ra.in -p blastn -o biobrew.out --debug=oLog
Finally compare /opt/sharcnet/mpiblast/1.6.0/examples/BIOBREW.out computed previously with BLASTN 2.2.15 [Oct-15-2006] with your newly generated biobrew.out output file to verify the results and submit a ticket if there are any problems!
MPIBLAST BINARIES (command line arguments)
[roberpj@orc-login1:/opt/sharcnet/mpiblast/1.6.0/bin] ./mpiblast -help mpiBLAST requires the following options: -d [database] -i [query file] -p [blast program name]
[roberpj@orc-login1:/opt/sharcnet/mpiblast/1.6.0/bin] ./mpiformatdb --help
Executing: formatdb -
formatdb 2.2.20 arguments:
-t Title for database file [String] Optional
-i Input file(s) for formatting [File In] Optional
-l Logfile name: [File Out] Optional
default = formatdb.log
-p Type of file
T - protein
F - nucleotide [T/F] Optional
default = T
-o Parse options
T - True: Parse SeqId and create indexes.
F - False: Do not parse SeqId. Do not create indexes.
[T/F] Optional
default = F
-a Input file is database in ASN.1 format (otherwise FASTA is expected)
T - True,
F - False.
[T/F] Optional
default = F
-b ASN.1 database in binary mode
T - binary,
F - text mode.
[T/F] Optional
default = F
-e Input is a Seq-entry [T/F] Optional
default = F
-n Base name for BLAST files [String] Optional
-v Database volume size in millions of letters [Integer] Optional
default = 4000
-s Create indexes limited only to accessions - sparse [T/F] Optional
default = F
-V Verbose: check for non-unique string ids in the database [T/F] Optional
default = F
-L Create an alias file with this name
use the gifile arg (below) if set to calculate db size
use the BLAST db specified with -i (above) [File Out] Optional
-F Gifile (file containing list of gi's) [File In] Optional
-B Binary Gifile produced from the Gifile specified above [File Out] Optional
-T Taxid file to set the taxonomy ids in ASN.1 deflines [File In] Optional
-N Number of database volumes [Integer] Optional
default = 0