PanDA@ORNL

Status update

Ruslan Mashinistov (UTA)

PanDA in containers

• Server
• Monitor
• Persistent DB
• Backup
• Server dev

PanDA queues

• Dedicated queues for each project were defined

Biology

• Mpi_gboost_permutations
• nodes=2;walltime=00:30:00
• @author: Sandra Truong and Ryan McCormick
• Wrapper to take GBOOST-format input data, permute phenotypes, output new input files, and call the GBOOST binary to perform a scan for epistasis. The GBOOST output given permuted phenotypes will be used downstream to calculate the distribution of test statistics under the null model.
• Input: 152M, Output: 344M
• Last two weeks I performed a set tests with Manesh B. Shah
• Manesh used the Client to submit jobs to the PanDA
• Next step is to prepare the pilot package to be run under BIF102 project

IceCube (1/2)

• Benchmark application (packaged in a singularity container) (GPU)
• walltime=00:05:00,nodes=1
• Successfully ran via PanDA, not yet reported to IceCube
• 1,5 weeks ago I had a phone call with IceCube
• The idea of the call was to present a user guidance of using PanDA@ORNL and answer the questions
• https://docs.google.com/presentation/d/1Rv9VMbHHMQn7EvGj4aU_2p0v_SwBPnjRwaBFiKzrhkE/edit?usp=sharing
• In parallel, IceCube making progress in using HTCondor to manage the execution of a large simulation job set inside a Titan PBS/aprun job.

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IceCube (2/2)

• IceCube is highly interested in automation of the data movement on Titan
• GridFTP with GSI auth
• Currently we agreed that I’ll try to implement the test with data stag-in/-out
• PanDA pilot already has a gsiFTP-mover plugin. But it work with Rucio.

Molecular Dynamics

• The CHARMM program allows generating and analysing a wide range of molecular simulations. (CPU+GPU)
• This test jobs actually the real jobs Dr. Kwangho Nam planning to run
• 124 nodes with walltime=30min in: out:2.4Gb
• 124 nodes with walltime=90min in: out:5.8Gb
• First results were considered as successful by Dr. Kwangho Nam
• He’s going to work on his code optimisation to speed-up it on Titan
• Next steps are postponed until he will have his Titan account access

Radical

• Last week I prepared the video demo for Matteo
• https://drive.google.com/file/d/0B9GKvyKLT3A1alI2Tkh2MkpCWGc/view?usp=sharing
• 1st row: PanDA Client - Monitor
• 2nd row: NGE server - NGE client/PanDA pilot
• Next days I’ll work on attempt to run some real payload with the system
• MD as a candidate