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Parallel computational steering for HPC applications using HDF5 files in distributed shared memory
John Biddiscombe1, Jerome Soumagne, Guillaume Oger
1CSCS Swiss National Supercomputing Centre, Galleria 2, Via Cantonale, Manno 6928, Switzerland. biddisco@cscs.ch
Supercomputers become interactive instruments by linking graphical user interface (GUI) analysis tools with high-performance computing (HPC) applications. This enables real-time simulation steering and data manipulation for complex scientific workflows.
Area of Science:
- Computational Science and Engineering
- High-Performance Computing (HPC)
- Scientific Visualization and Analysis
Background:
- Traditional supercomputing workflows often involve batch processing, limiting interactive analysis and rapid parameter exploration.
- Integrating visualization and analysis tools directly with HPC applications is challenging due to data transfer and synchronization issues.
Purpose of the Study:
- To transform supercomputers into interactive instruments by enabling real-time visualization and analysis of simulation data.
- To develop a flexible framework for concurrent parallel simulation and analysis, facilitating dynamic steering of scientific workflows.
Main Methods:
- Replaced the Input/Output (IO) layer of the Hierarchical Data Format 5 (HDF5) library with a custom parallel data transfer driver.
- Utilized ParaView as the graphical user interface (GUI) for concurrent parallel analysis, supporting flexible resource allocation for simulation and analysis.
- Implemented a distributed shared memory file system for seamless bidirectional data flow between simulation and analysis components.
- Developed an XML templating system to automatically generate GUI controls for simulation steering, eliminating manual customization.
Main Results:
- Achieved parallel data transfer between simulation and analysis, allowing concurrent execution on the same or separate machines.
- Enabled dynamic modification of simulation data, including parameter changes, grid remeshing, and field value regeneration, through the GUI.
- Demonstrated the ability to reuse modified data within the simulation loop, creating a closed-loop interactive workflow.
Conclusions:
- The developed framework effectively integrates HPC applications with GUI-driven analysis tools, turning supercomputers into interactive instruments.
- This approach significantly enhances the flexibility and efficiency of scientific workflows by enabling real-time steering and data manipulation.
- Automatic GUI generation using XML templates streamlines the process of adapting the interactive system to diverse simulation applications.
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