HPC Communications

• Overview
• Data Flow, step 1
• Data Flow, step 2
• Data Flow, step 3
• Data Flow, step 4
• Data Flow, Asynchronous Step

UltraScan's communication with the High Performance Computer (HPC) or Grid Cluster is implemented according to the above drawings. The tasks are accomplished as described below. The original OpenOffice document is attached to this page.

Laboratory Information Management System (LIMS)

The purpose of this system is to interface with the user to specify an analysis type, such as the Genetic Algorithm (GA) or Two Dimensional Spectrum Analysis (2DSA), as well as the needed parameters for the analysis to the HPC system. After the user specifies the needed data, the data is packaged into a common data directory, uslims3.uthscsa.edu:/srv/www/htdocs/uslims3/uslims3_data. For this analysis request LIMS creates a new GUID, associates it with the analysis data, and creates a new record in the HPCAnalysisRequest database table. This record is the parent record for everything relating to this HPC analysis, and this GUID serves as the common identifier of this analysis. For instance, this GUID is the name of the subdirectory in the common data directory where all the files relating to this particular analysis are stored when the job is submitted to the HPC system. Another example: LIMS prepends the string "US3-" to this guid and it becomes the gfacID, used by the GFAC system to identify the job, and used in the listen script and grid control program to identify the job. The database name and gfacID is how the grid control program associates the HPC job with the analysis request record in the LIMS database.

Contents of the data directory

Contents of file	File name
Scan data itself	runID.dataType.cell.channel.wavelength.auc
Edit profile	runID.editedDataID.dataType.cell.channel.wavelength.xml
Analysis parameters	hpcrequest-server-database-requestID.xml
Noise files	random.ti_noise or random.ri_noise
Tar file with above content	hpcinput-server-database-requestID.tar
Job submission parameters	cluster_shortname-requestGUID-jobxmlfile.xml
Post-analysis job stats	job_statistics.xml
Queue messages, stdout, stderr	database-requestID-messages.txt
Analysis results, if any	analysis.tar

The LIMS job submit process

In LIMS job submission happens in stages. In the first stage everything related to the data itself is collected and placed into a tar file. This includes the scan data itself, the edit profile, analysis parameters, and any noise files that have been selected. In the second stage, the job submission parameters are placed into a job submit file and the job is submitted. It is submitted as an HTTP request, where the job submission xml file is the body of the request and the tar file is sent as a base-64 encoded, chunk-split attachment. LIMS writes the parent HPCAnalysisRequest record in the LIMS database, as well as the analysis record for the job in the local gfac database, which contains the jobs from all the LIMS databases that are currently being processed.

Supercomputer Queue

This task is controlled by the Supercomputer system. It is responsible for controlling the jobs running on that system and communication with clients.

Communication tasks include receiving tasks, returning job status, and informing the client when a task has been completed or aborted.

MPI_Analysis (UltraScan HPC Analysis Program)

The MPI_Analysis program reads the job submission xml file and uses that as a guide to read other data files as needed to populate internal data structures. It then performs the analysis, writing any needed output to disk.

At the beginning of the program, periodically during execution, and at the end of of processing, MPI_Analysis writes a UDP status datagram to a listener on the host and port specified in the control.xml file. Each datagram will consist of the analysisRequestGUID and a status (e.g. started, iteration number, finished). This is not a reliable two-way communication and it is the responsibility of the listener to follow up and manage any missed messages.

listen.php

This php program runs as daemon receiving udp packets from the MPI_Analysis program. It is responsible for updating the analysis table in the local gfac database and the HPCAnalysisResult table in the LIMS database with current status. Current status possibilities include:

Current Status	Meaning
SUBMITTED	Job is queued, waiting to be run.
SUBMIT_TIMEOUT	Job is queued, waiting to be run, however it's been waiting for more than 24 hours.
RUNNING	Job is running.
RUN_TIMEOUT	Job is running, however it's been running for more than 24 hours.
DATA	Job has completed, however the data has not arrived.
DATA_TIMEOUT	Job has completed and we're waiting on the data, however we've been waiting for more than an hour.
COMPLETE	Job has completed and data has been delivered.
FAILED	Job has failed.
CANCELED	User canceled the job.
ERROR	Grid control or listen has encountered an undocumented error.

grid-control.php

This php program is scheduled periodically via cron. It checks the jobs in the local gfac analysis table (current jobs), and determines what actions to take, if any. Current status possibilities and the actions that are taken:

Current Status	Actions taken	Timeout	On timeout, change status to
SUBMITTED	If > 10 mins, request status update	24 hours	SUBMIT_TIMEOUT
SUBMIT_TIMEOUT	Request a status update	24 hours	FAILED
RUNNING	If > 10 mins, request status update	24 hours	RUN_TIMEOUT
RUN_TIMEOUT	Request a status update	48 hours	FAILED
DATA	Request status; Request data every 5 mins	1 hour	DATA_TIMEOUT
DATA_TIMEOUT	Request status; Request data every 15 mins	24 hours	FAILED
COMPLETE	Do cleanup
FAILED	Do cleanup
CANCELED	Do cleanup
ERROR	Do cleanup

Cleanup performs several functions, and is called by the grid control program if appropriate. Cleanup delivers the analysis results tar file into the common data directory, expands it, and places any model files and noise files into the appropriate LIMS database. Cleanup also copies the stdout content, the stderr content, and all queue messages to the queue message file in the common data directory. Finally, cleanup deletes the appropriate analysis record from the gfac database and informs the user of final status by email.