wfGenes: HPC Hub for Scientific Computing

With the main aim of increasing productivity of workflow generation for different applications, we offer wfGenes as a generator tool to construct workflows for different workflow management systems (WMSs). With such vast software repositories for different scientific problems, there is an urgent need for an interoperable system to facilitate communications between scientists by standardizing interactions and reducing compatibility problems among systems. wfGenes enables users to construct their workflow for purely python-based WMSs, such as DASK or Parsl , using a single description file called WConfig, written in JSON or YAML format. Alternatively, by using the very same WConfig, inputs for FireWorks and SimStack can be generated to use these systems with minimum required effort from the user side. The development of the tool is motivated by GRK2450 project that demands for interoperable approach to map general purpose workflows such as Fireworks to domain specific workflows such as SimStack used in computational nano science.

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Contributors:

• Mehdi Roozmeh (Karlsruhe Institute of Technology)
• Ivan Kondov (Karlsruhe Institute of Technology)
• Vagner Takiya Bonadio (Karlsruhe Institute of Technology)
• Sruthy Sreenivasan (Karlsruhe Institute of Technology)