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Python utilities for submitting jobs on high performance computing systems

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Description

pbs4py is a Python module for automating submission of compute jobs on High Performance Computing clusters, such as those that use the Portable Batch System (PBS). It includes pre-configured launchers for common NASA HPC systems: the Langley K cluster and NASA Advanced Supercomputing (NAS) systems.

Examples uses are uncertainty quantification where many jobs are submitted simultaneously or optimization where sequences of jobs need to scripted.

pbs4py also includes scripts for performing tasks associated with PBS jobs such as a script when given a job number will print the directory from which it was launched and a script that can delete multiple jobs based on filters.

Documentation

Documentation is hosted using Github Pages

The pbs4py documentation is generated from the source code with Sphinx. Once you have installed pbs4py, the documentation is built by running make html in the docs directory. The generated documentation will be in docs/build/html.

Installation

pbs4py can be installed with

pip install pbs4py

Quick Start

After installation,

On the K cluster:

from pbs4py import PBS
pbs = PBS.k4()
pbs.requested_number_of_nodes = 1
pbs.launch(job_name='example_job',job_body=['echo "Hello World"'])

On NAS:

from pbs4py import PBS
group = 'a1111' # your project ID to charge here
pbs = PBS.nas(group, proc_type='san', queue='devel', time=1)
pbs.launch(job_name='example_job',job_body=['echo "Hello World"'])

License Notices and Disclaimers

Notices: Copyright 2022 United States Government as represented by the Administrator of the National Aeronautics and Space Administration. No copyright is claimed in the United States under Title 17, U.S. Code. All Other Rights Reserved.

Third Party Software:

This software calls the following third party software, which is subject to the terms and conditions of its licensor, as applicable at the time of licensing. Third party software is not bundled with this software, but may be available from the licensor. License hyperlinks are provided here for information purposes only: numpy, BSD 3-Clause "New" or "Revised" License, https://github.com/numpy/numpy/blob/main/LICENSE.txt.

Disclaimers No Warranty: THE SUBJECT SOFTWARE IS PROVIDED "AS IS" WITHOUT ANY WARRANTY OF ANY KIND, EITHER EXPRESSED, IMPLIED, OR STATUTORY, INCLUDING, BUT NOT LIMITED TO, ANY WARRANTY THAT THE SUBJECT SOFTWARE WILL CONFORM TO SPECIFICATIONS, ANY IMPLIED WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE, OR FREEDOM FROM INFRINGEMENT, ANY WARRANTY THAT THE SUBJECT SOFTWARE WILL BE ERROR FREE, OR ANY WARRANTY THAT DOCUMENTATION, IF PROVIDED, WILL CONFORM TO THE SUBJECT SOFTWARE. THIS AGREEMENT DOES NOT, IN ANY MANNER, CONSTITUTE AN ENDORSEMENT BY GOVERNMENT AGENCY OR ANY PRIOR RECIPIENT OF ANY RESULTS, RESULTING DESIGNS, HARDWARE, SOFTWARE PRODUCTS OR ANY OTHER APPLICATIONS RESULTING FROM USE OF THE SUBJECT SOFTWARE. FURTHER, GOVERNMENT AGENCY DISCLAIMS ALL WARRANTIES AND LIABILITIES REGARDING THIRD-PARTY SOFTWARE, IF PRESENT IN THE ORIGINAL SOFTWARE, AND DISTRIBUTES IT "AS IS."

Waiver and Indemnity: RECIPIENT AGREES TO WAIVE ANY AND ALL CLAIMS AGAINST THE UNITED STATES GOVERNMENT, ITS CONTRACTORS AND SUBCONTRACTORS, AS WELL AS ANY PRIOR RECIPIENT. IF RECIPIENT'S USE OF THE SUBJECT SOFTWARE RESULTS IN ANY LIABILITIES, DEMANDS, DAMAGES, EXPENSES OR LOSSES ARISING FROM SUCH USE, INCLUDING ANY DAMAGES FROM PRODUCTS BASED ON, OR RESULTING FROM, RECIPIENT'S USE OF THE SUBJECT SOFTWARE, RECIPIENT SHALL INDEMNIFY AND HOLD HARMLESS THE UNITED STATES GOVERNMENT, ITS CONTRACTORS AND SUBCONTRACTORS, AS WELL AS ANY PRIOR RECIPIENT, TO THE EXTENT PERMITTED BY LAW. RECIPIENT'S SOLE REMEDY FOR ANY SUCH MATTER SHALL BE THE IMMEDIATE, UNILATERAL TERMINATION OF THIS AGREEMENT.

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Python utilities for submitting jobs on high performance computing systems

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