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# Minimal makefile for Sphinx documentation | ||
# | ||
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# You can set these variables from the command line, and also | ||
# from the environment for the first two. | ||
SPHINXOPTS ?= | ||
SPHINXBUILD ?= sphinx-build | ||
SOURCEDIR = . | ||
BUILDDIR = _build | ||
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# Put it first so that "make" without argument is like "make help". | ||
help: | ||
@$(SPHINXBUILD) -M help "$(SOURCEDIR)" "$(BUILDDIR)" $(SPHINXOPTS) $(O) | ||
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.PHONY: help Makefile | ||
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# Catch-all target: route all unknown targets to Sphinx using the new | ||
# "make mode" option. $(O) is meant as a shortcut for $(SPHINXOPTS). | ||
%: Makefile | ||
@$(SPHINXBUILD) -M $@ "$(SOURCEDIR)" "$(BUILDDIR)" $(SPHINXOPTS) $(O) |
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# Sphinx build info version 1 | ||
# This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done. | ||
config: 9f15259458fc24a92c6fe38b5de81602 | ||
tags: 645f666f9bcd5a90fca523b33c5a78b7 |
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.. FabSim3 documentation master file, created by | ||
sphinx-quickstart on Fri Jun 7 11:11:04 2019. | ||
You can adapt this file completely to your liking, but it should at least | ||
contain the root `toctree` directive. | ||
.. image:: ../logo.jpg | ||
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An automation toolkit for complex simulation tasks | ||
=========================================================== | ||
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FabSim3 is a Python-based automation toolkit for scientific simulation and data | ||
processing workflows, licensed under the BSD 3-clause license. It is developed | ||
as part of VECMA (http://www.vecma.eu). | ||
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FabSim3 helps users to perform comples remote tasks from a local command-line, | ||
and to run applications while curating data and environment variables. It | ||
supports the execution of jobs, job arrays and dynamic workflows through | ||
schedulers such as SLURM, PBSPro, LoadLeveller and QCG. It stores | ||
machine-specific configurations in the repository, and applies it to all | ||
applications run on that machine. These configurations are updated by any | ||
contributor who feels that a fix or improvement is required. | ||
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FabSim3 relies strongly on Fabric (http://www.fabfile.org, shown to work with | ||
versions 1.5.3 and 1.10.0) and PyYAML. It has been used to run simulation | ||
workflows on supercomputers such as ARCHER, SuperMUC, Carthesius, Eagle, as well | ||
as local clusters and desktops. | ||
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FabSim3 is publicly available at: http://www.github.com/djgroen/FabSim The | ||
accompanying software paper can be found here: | ||
https://doi.org/10.1016/j.cpc.2016.05.020 | ||
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The public plugins for FabSim3 include: | ||
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* FabMD, focused on molecular dynamics. | ||
* FabFlee, focused on agent-based modelling. | ||
* FabUQCampaign, focused on ocean modelling. | ||
* FabDummy, a dummy plugin used for testing the toolkit. | ||
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Key reference documents | ||
======================= | ||
Here's a list of particularly useful reference documents for FabSim3. | ||
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**Basic:** | ||
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* Basic installation and testing instructions: https://github.com/djgroen/FabSim3/blob/master/INSTALL.md | ||
* Testing simple jobs with FabDummy: https://github.com/djgroen/FabDummy/blob/master/README.md | ||
* How to set up and use FabSim3 with the Singularity containerization environment: https://github.com/djgroen/FabSim3/blob/master/doc/FabSim3SingularityUsage.md | ||
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**Intermediate:** | ||
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* Do UQ with molecular dynamics using the FabMD plugin: https://github.com/UCL-CCS/FabMD/blob/master/doc/EasyVVUQ_FabMD_example.md | ||
* Do UQ with a coupled agent-based migration model using the FabFlee plugin: https://github.com/djgroen/FabFlee/blob/master/doc/Tutorial.md | ||
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**Advanced:** | ||
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* How to create your own plugin: https://github.com/djgroen/FabSim3/blob/master/doc/CreatePlugins.md | ||
* How to write automation scripts: https://github.com/djgroen/FabSim3/blob/master/doc/CreateAutomationScripts.md | ||
* How to use FabSim with QCG middleware: https://github.com/djgroen/FabSim3/blob/master/doc/FabSim%2BQCG.md | ||
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Citing FabSim3 | ||
============== | ||
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Please find the BibTex reference below of our FabSim software paper in *Computer Physics Communications*:: | ||
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@article{GROEN2016375, | ||
title = "FabSim: Facilitating computational research through automation on large-scale and distributed e-infrastructures", | ||
journal = "Computer Physics Communications", | ||
volume = "207", | ||
number = "Supplement C", | ||
pages = "375 - 385", | ||
year = "2016", | ||
issn = "0010-4655", | ||
doi = "https://doi.org/10.1016/j.cpc.2016.05.020", | ||
url = "http://www.sciencedirect.com/science/article/pii/S0010465516301448", | ||
author = "Derek Groen and Agastya P. Bhati and James Suter and James Hetherington and Stefan J. Zasada and Peter V. Coveney", | ||
} | ||
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.. toctree:: | ||
:maxdepth: 2 | ||
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Indices and tables | ||
================== | ||
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* :ref:`genindex` | ||
* :ref:`modindex` | ||
* :ref:`search` |
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