Thursday Exercise 1.2: 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.
The executable we'll use in this exercise and later today is the same
blastx executable from previous exercises.
- Log in to
Navigate to your local scratch directory:
[email protected] $ cd /local-scratch2/<USERNAME>
<USERNAME>with your username
Change into the
thurs-blast-datafolder that you created in the previous exercise.
Review: HTCondor File Transfer¶
Recall that OSG does NOT have a shared filesystem!
Instead, HTCondor transfers your executable and input files (specified with the
transfer_input_files submit file directives, respectively) 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.err log = test.log request_memory = request_disk = request_cpus = 1 requirements = (OSGVO_OS_STRING == "RHEL 7") 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
For this version of the job, let's compress our blast database files to send them to the submit node as a single
tar.gz file (otherwise known as a tarball), by following the below steps:
Change into the
pdbaadirectory and compress the database files into a single file called
tarcommand. Note that this file will be different from the
pdbaa.tar.gzfile that you used earlier, because it will only contain the
pdbaafiles, and not the
Remember, a typical command for creating a tar file is:
[email protected] $ tar -cvzf <COMPRESSED FILENAME> <LIST OF FILES OR DIRECTORIES>
<COMPRESSED FILENAME>with the name of the tarball that you'd like to create and
<LIST OF FILES OR DIRECTORIES>with a space-separated list of files and/or directories that you want to Move the tarball to the
Create a wrapper script that will first decompress the
pdbaa_files.tar.gzfile, and then run blast.
Because this file will now be our submit file
executable, we'll also end up transferring the
transfer_input_files. In the
thur-blast-datadirectory, create a new file, called
blast_wrapper.sh, with the following contents:
#!/bin/bash tar -xzvf pdbaa_files.tar.gz ./blastx -db pdbaa -query mouse.fa -out mouse.fa.result rm pdbaa.*
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 since 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:
- Add the new
executable(the wrapper script you created above)
transfer_input_files, list the
pdbaa_files.tar.gzfile, and the input query file.
Commas, commas everywhere!
transfer_input_files accepts a comma separated list of files, and that you need to list the full
location of the
blastx executable (
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:
- How much memory
blastxwould use if it loaded all of the database files and the query input file into memory.
- How much disk space will be necessary on the execute server for the executable, all input files, and all output files (hint: the log file only exists on the submit node).
- whether you'd like to request some extra memory or disk space, just in case
Look at the
log file for your
blastx job from Tuesday, 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.
du -sh on the directory with this job's input.
How does it compare to the directory from Tuesday, and why?
When you've completed the above, continue with the next exercise.