AutoDock Gateway for Molecular Docking Simulations in Cloud Systems - Cloud Computing with e-Science Applications - page 219

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FIGURE 10.1
Sample WS-PGRADE workflow.

In a nonparametric workflow, every node is run only once. However, it is
possible to construct parameter sweep workflows in which a node of the
workflow is submitted multiple times using different input data for the
different submissions. Figure 10.2 shows an example construct for a param-
eter sweep workflow.
Figure 10.2 has been split into three parts: the generator phase at the top,
the processing (parameter sweep) phase in the middle, and the resulting
collecting phase at the bottom. In the generator phase, WS-PGRADE runs
special nodes in the workflow, the generator nodes. The task of these nodes is
to produce the parameter space for the computation, for example, by splitting
one big input data set into smaller chunks. The generator nodes produce the
different inputs for the actual computation. In the processing phase, the nodes
process all the inputs created by the generator nodes. If there were multiple

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FIGURE 10.2
Sample parameter sweep WS-PGRADE workflow.