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The main idea is that scientists are able to instantiate as many virtual machines as they need to process the workflow in parallel.
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The entire workflow is a single instance of the ADR analysis for a given point in time and it is possible to run multiple workflows in parallel; they do not require inter-process communications.
This is mainly used to scale throughput (to increase the number of workflow executions per second), but it can also be used to reduce response time where there are opportunities to execute sub-workflows in parallel.
This system permits reusing the results of previously run analysis as well as running multiple workflows in parallel.
These two atomic workflows run in parallel.
We are currently reviewing the implementation of CAPA and it is likely that ADHD care will move out of the CAPA workflow and run in parallel; a move that would be strongly supported by the authors.
Next, two atomic workflows are executed in parallel calculating the vibrational properties of the molecule by the Freq WF atomic workflow and the optimized molecule is re-optimized using dispersion by the OptDisp WF atomic workflow.
If multiple buckets are available, multiple instances of the workflow engine are invoked in parallel to process these buckets.
The framework provides a Web service interface that can be used within a complex workflow to execute PSE code in parallel.
As this type of calculations has to be performed in different solvents (acetonitrile = MeCN and xylene) as well as with and without dispersion, the meta-workflow has to be performed four times in parallel inside the Equil_Solv_M 2 -WF meta workflow given in Fig. 14.
In parallelizing, we assert these in parallel.
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