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Longbow is a lightweight, simple and intuitive remote job submission utility.

The philosophy behind Longbow is that it should be easy to run standard Molecular Dynamics jobs on a High End Computing (HEC) resource from your desktop and have the results delivered on a plate. No more SSH, writing job submission scripts, SFTP, ...

Longbow is geared towards lowering the barriers surrounding biomolecular simulation with HEC resources for non-traditional users and early-career scientists.

Longbow works by creating a job submission script for you that is customised for the remote resource and scheduler. Longbow sends this script and input files from the local working directory of your desktop to the remote resource; and subsequently submits the job. Whilst the job is running, Longbow will periodically bring the results back to your local machine bringing the power of an HPC to your desktop...

This version of this documentation is compatible with all versions of Longbow in series v1.5.x

 

Licensing

Longbow is released under the BSD 3-clause license. A copy of this license is provided when Longbow is downloaded and installed.

 

Citing

If you make use of Longbow in your own code or in production simulations that result in publishable output, then please reference our paper:

Gebbie-Rayet, J, Shannon, G, Loeffler, H H and Laughton, C A 2016 Longbow: A Lightweight Remote Job Submission Tool. Journal of Open Research Software, 4: e1, DOI: http://dx.doi.org/10.5334/jors.95

 

Support

Support for any issues arising from using Longbow, whether these are questions, to report a bug or to suggest new ideas. You should use the Longbow forums here:

http://www.hecbiosim.ac.uk/longbow-support

 

Changelog

To keep an eye on what is changing version to version, a changelog can be found here.

 

Contents

1. Installation

    1.1 Installation via pip

    1.2 Manual Install via setup script

2. Getting Started and Examples

     2.1 Setting up a HPC Resource

     2.2 Download Longbow Examples

     2.3 Running Longbow Examples

3. Longbow Configuration

    3.1 Basic Principles of Configuration

    3.2 The Command-line

    3.3 The Job Configuration File

    3.4 The Host Configuration File

    3.5 List of Configuration File Parameters

    3.6 Default Values

    3.7 A Worked Example

4. Running Jobs

    4.1 Single Jobs

    4.2 Replicate Jobs

    4.3 Multi-Jobs

    4.4 Running Jobs with a Local Batch System

    4.5 Supported Executables and Command-line Flags

    4.6 Files Referenced in Input Files

    4.7 Disconnect & Recovery Mode

5. Troubleshooting