Pwscf output files?

In my local machine, pw.x generates output files besides the standard output:
pwscf.pot, pwscf.rho, pwscf.wfc
unless I reuse the tmp directory.

However, in lonestar, it genrates,
pwscf.md pwscf.oldrho pwscf.pot pwscf.rho pwscf.save pwscf.update pwscf.wfc

For sure, I transfer all of the possible files from the remote machine.

Submitting a job to LSF job queue [2]: through CondorG with condor_submit

Now, I tried to submit the same job, pw.x with the remote input files through the CondorG command line which is condor_submit. In this example, I use inputfiles stored in my local machine. Therefore, my script file should specify input files like following lines.

---------------------------------------------------------------------------------------------------------------------------------
executable = /home/teragrid/tg459282/vlab/pw.x
transfer_executable = false
should_transfer_files = yes
when_to_transfer_output = ON_EXIT
transfer_input_files = /home/leesangm/catalina/VLAB_Codes/__CC5f_7/008-O-ca--bm3.vdb,/home/leesangm/catalina/VLAB_Codes/__CC5f_7/__cc5_7,/home/leesangm/catalina/VLAB_Codes/__CC5f_7/Mg.vbc3

universe = grid
grid_resource = gt2 tg-login.tacc.teragrid.org/jobmanager-lsf
output = tmpfile.out.$(Cluster)
error = condorG.err.$(Cluster)
log = condorG.log.$(Cluster)
input = /home/leesangm/catalina/VLAB_Codes/__CC5f_7/Pwscf_Input

globusrsl = (queue=development)\
(environment=(PATH /usr/bin))\
(jobtype=single)\
(count=1)

queue
---------------------------------------------------------------------------------------------------------------------------------

This script file is almost the same with normal condor submit script except for the globusrsl keyword. This is a simple case for the serial job. For the parallel jobs, this should be modified.

Then submit condor job,
condor_submit script_file_name

Submitting a job to LSF job queue [1] : On the Cluster

* Usefule LSF commands :
bsub: submission jobs
bjobs: display information about the jobs
bkills: send signal to kill
For more commands,
http://its.unc.edu/dci/dci_components/lsf/lsf_commands.htm

* Useful options of bsub command
-q : name of the queue
-n: desired number of processors
-W: Walltime limit in batch jobs -W[hours]:[minutes]
-i : input file
-o : output file
-e: error file

Example lsf submit of pw.x in lonestar
bsub -q development -n 1 -W 15 -i "Pwscf_Input" -o "myout.out" ../pw.x

Building a Client of the Task Executor

To generate client of the vlab Task Executor service, first we have to create stub code and compile them.
If the service is running on localhost, WSDL file is located at,
http://localhost:8080/task-executor/services/TaskExecutor?wsdl
With this WSDL file, we can generate java classes with WSDL2Java included in the axis package.
java org.apache.axis.wsdl.WSDL2Java http://localhost:8080/task-executor/services/TaskExecutor?wsdl
Then compile/jar the java code.
Required jar files to run WSDL2Java are following:

• axis-1.4.jar
• activation-1.1.jar
• commons-discovery-0.2.jar
• saaj.jar
• jaxrpc.jar
• mail-1.4.jar
• wsdl4j-1.5.1.jar

Globus environment

Step. 0 source $GLOBUS_LOCATION/etc/globus-user-env.sh

Step. 00 export X509_CERT_DIR=/home/leesangm/.globus/certificates

Step. 000 Check if this works,
globusrun -o -r grid-co.ncsa.teragrid.org/jobmanager '&(executable=/bin/ls)'

condor_rm -forcex -all : force the immediate local removal of jobs in the X state

Condor/Birdbath documentations

Birdbath section in the condor manual:
http://www.cs.wisc.edu/condor/manual/v6.8/4_4Application_Program.html
Marlon's Blog
Condor Installation: http://communitygrids.blogspot.com/2007/07/beating-condor-like-rented-buzzard.html
Submitting Globus job through condor: http://communitygrids.blogspot.com/2006/09/submitting-globus-job-through-condor.html

Condor: Birdbath APIs javadoc

After few days of suffering, I generated this javadoc from condor birdbath related source codes. I got the source code from,
(1) birdbath jar file: download from http://www.cs.wisc.edu/condor/birdbath/birdbath.jar
(2) type classes generated from WSDL (birdbath1.jar): included in the condor6.8.6 release (/lib/webservice)
http://www.cs.indiana.edu/~leesangm/ogce/condor/docs/