File Compression and Testing Resource Requirements

The objective of this exercise is to refresh yourself on HTCondor file transfer, to implement file compression, and to begin examining the memory and disk space used by your jobs in order to plan larger batches, which we'll tackle in later exercises today.

Setup

The executable we'll use in this exercise and later today is the same blastx executable from the previous exercise.

Also copy the data from the last exercise into the thur-blast-data directory. You'll need the mouse.fa file and the pdbaa directory from the last exercise, but you'll end up making a new submit file.

Review: HTCondor File Transfer

OSG data transfer

Recall that OSG does NOT have a shared filesystem! Instead, HTCondor transfers your executable and input files (listed with transfer_input_files) to a working directory on the execute node, regardless of how these files were arranged on the submit node. In this exercise we'll use the same blastx example job that we used previously, but modify the submit file and test how much memory and disk space it uses on the execute node.

Start with a test submit file

We've started a submit file for you, below, which you'll add to in the remaining steps.

executable = 
transfer_input_files = 
output = test.out
error = test.error
log = test.log
request_memory = 
request_disk = 
request_cpus = 1
requirements = (OpSys == "LINUX")
queue

Implement file compression

In our first blast job from yesterday, the database files in the pdbaa directory were all transferred, as is, but we could instead transfer them as a single, compressed file using tar. For a second test job, let's compress our blast database files to send them to the submit node as a single tar.gz file, by following the below steps:

  1. Change into the pdbaa directory and compress the database files into a single file called pdbaa_files.tar.gz using the tar command. (NOTE: This file will be different from the pdbaa.tar.gz files you downloaded yesterday, because it will only contain the pdbaa files, and not the pdbaa directory, itself.)

    A typical command for creating a tar file is:

    [email protected] $ tar cvzf <COMPRESSED FILENAME> <LIST OF FILES OR DIRECTORIES>
    

    Move this file to the thur-blast-data directory.

  2. Create a wrapper script that will first decompress the pdbaa_files.tar.gz file, and then run blast.

    Because this file will now be our submit file executable, we'll also end up transferring the blastx executable with transfer_input_files. In the thur-blast-data directory, create a new file, called blast_wrapper.sh, with the following contents:

    #!/bin/bash
    
    tar xvzf pdbaa_files.tar.gz
    
    ./blastx -db pdbaa -query mouse.fa -out mouse.fa.result
    
    rm pdbaa.*
    

    Extra Files!

    The last line removes the resulting database files that came from pdbaa_files.tar.gz, as these files would otherwise be copied back to the submit server as perceived output (because they're new files that HTCondor didn't transfer over as input).

List the executable and input files

Make sure to update the submit file with the following:

Commas, commas everywhere!

Remember that transfer_input_files accepts a comma separated list of files, and that you need to list the full location of the blastx executable (blastx). There will be no arguments, since the arguments to the blastx command are now captured in the wrapper script.

Predict memory and disk requests from your data

Also, think about how much memory and disk to request for this job. It's good to start with values that are a little higher than you think a test job will need, but think about:

Look at the log file for your blastx job from yesterday, and compare the memory and disk "Usage" to what you predicted from the files. Make sure to update the submit file with more accurate memory and disk requests (you may still want to request slightly more than the job actually used).

Run the test job

Once you have finished editing the submit file, go ahead and submit the job. It should take a few minutes to complete, and then you can check to make sure that no unwanted files (especially the pdbaa database files) were copied back at the end of the job.

Run a du -sh on the directory with this job's input. How does it compare to the directory from yesterday, and why?

When you've completed the above, continue with the next exercise.