Design And Implementation Of Scientific Workflow Management Platform Tools For Numerical Simulation

With the development of numerical simulation software in many scientific fields and the development of scientific workflow management system,the fields that could only be explored by theoretical or experimental research can now be simulated by numerical simulation software for the whole process with high performance,which provides more possibilities for scientific exploration.Common scientific workflow management systems are used in the field of biological information like Galaxy,Kepler for astronomy,ecology,atomic physics,KNIME for life science,chemistry,finance,medical field,Taverna for biodiversity,social sciences,and astronomy.However,most of these scientific workflow management system do not have a unified resource scheduling platform to manage many numerical simulation software,do not provide a good support for containerizing of numerical simulation software,and making the numerical simulation software tool is a complex,tedious process,and need strong professionalism,all of these put forward very high requirements for the person to use the scientific workflow management system.In this paper,after in-depth research on many scientific workflow management systems,Galaxy scientific workflow management system is finally selected as the research object.Aiming at the problems existing in the above scientific workflow management system,the main innovative work made in this paper are as follows:(1)Galaxy scientific workflow has been improved,which mainly includes deploying Galaxy scientific workflow to Kubernetes cluster,containerizing numerical simulation software,and proposing standard operating procedures for containerizing numerical simulation software and migrating to Kubernetes cluster.The container scheduling engine Kubernetes is used to manage the operation and running of the numerical simulation software.(2)The tool making platform of scientific workflow management system is developed,which we called G-Tools-Maker.The G-Tools-Maker is made in the form of Web,with the functions of tool adding,tool editing,tool saving and tool deleting.The system can solve the problems of numerical simulation software,such as complicated tool making,tedious process and error-prone.(3)A functional test was conducted on the G-Tools-Maker in Changsha Tianhe Supercomputer Center,and the test showed that the whole system was practical.