The Hierarchical Data Format 5 (HDF5) has long been defined as one of the most prominent data models, binary file formats and I/O libraries for storing and managing scientific data. Introduced in the late 90s when POSIX I/O was the standard, the library has since then been continuously improved to respond and adapt to the ever-growing demands of high-performance computing (HPC) software and hardware. Given the limitations of POSIX I/O and with the emergence of new technologies such as object stores, non-volatile memory, and SSDs, the need for an interface that can efficiently store and access data at scale through new paradigms has become more and more pressing. The Distributed Asynchronous Object Storage (DAOS) file system is an emerging file system that aims at responding to those demands by taking disk-based storage out of the loop. We present in this article the research efforts that have been taking place to prepare the HDF5 library for Exascale using DAOS. By enabling and defining a new storage file format, we focus on the benefits that it delivers to the applications in terms of features and performance.

Microservices are a powerful new way of building, customizing, and deploying distributed services owing to their flexibility and maintainability. Several large-scale distributed platforms have emerged to serve the growing needs of data-centric workloads and services in commercial computing. Concurrently, high-performance computing (HPC) systems and software are rapidly evolving to meet the demands of diversified applications and heterogeneity. The interplay of hardware factors, software configuration parameters, and the flexibility offered with a microservice architecture makes it nontrivial to estimate the optimal service instantiation for a given application workload. Further, this problem is exacerbated when considering that these services operate in a dynamic and heterogeneous HPC environment. An optimally integrated service can be vastly more performant than a haphazardly integrated one. Existing performance tools for HPC either fail to understand the request-response model of communication inherent to microservices or they operate within a narrow scope, limiting the insight that can be gleaned from employing them in isolation.We propose a methodology for integrated performance analysis of HPC microservices frameworks and applications called SYMBIOSYS. We describe its design and implementation within the context of the Mochi framework. This integration is achieved by combining distributed callpath profiling and tracing with a performance data exchange strategy that collects fine-grained, low-level metrics from the RPC communication library and network layers. The result is a portable, low-overhead performance analysis setup that provides a holistic profile of the dependencies among microservices and how they interact with the Mochi RPC software stack. Using HEPnOS, a production-quality Mochi data service, we demonstrate the low-overhead operation of SYMBIOSYS at scale and use it to identify the root causes of poorly performing service configurations.

Summary Object storage technologies that take advantage of multitier storage on HPC systems are emerging. However, to use these technologies at present, applications have to be modified significantly from current I/O libraries. HDF5, a widely used I/O middleware on HPC systems, provides a virtual object layer (VOL) that allows applications to connect to different storage mechanisms transparently without requiring significant code modifications. We recently designed the proactive data containers (PDC) object‐centric storage system that provides the capabilities of transparent, asynchronous, and autonomous data movement taking advantage of multiple storage tiers—a decision that has so far been left upon the user on most current systems. To enable PDC's features through HDF5 without modifying application codes, we have developed an HDF5 VOL connector that interfaces with PDC. We present in this article the connector interface and evaluate its performance on Cori, a Cray XC40 supercomputer located at the National Energy Research Scientific Computing Center (NERSC). Our evaluation demonstrates up to an 8× improvement compared with HDF5 that has the most recent optimizations.

Emerging high performance computing (HPC) systems are expected to be deployed with an unprecedented level of complexity due to a deep system memory and storage hierarchy. Efficient and scalable methods of data management and movement through the multi-level storage hierarchy of upcoming HPC systems will be critical for scientific applications at exascale. In this paper, we propose in locus analysis that allows registering user-defined functions (UDFs) and running those functions automatically while the data is moving between levels of a storage hierarchy. We implement this analysis in the data path approach in our object-centric data management system, called Proactive Data Containers (PDC). The transparent invocation of analysis functions as part of PDC object mapping is an optimized approach to minimize latency to access data as it moves within the storage hierarchy. Because a user defined analysis or transform function will be invoked automatically by the PDC runtime, the user simply registers their functions for PDC to identify the function name as well as the required list of actual parameters. To demonstrate the validity and flexibility of this analysis approach, we have implemented several scientific analysis kernels to compare against other HPC analysis-oriented approaches.

Emerging high performance computing (HPC) systems are expected to be deployed with an unprecedented level of complexity due to a deep system memory and storage hierarchy. Efficient and scalable methods of data management and movement through this hierarchy is critical for scientific applications using exascale systems. Moving toward new paradigms for scalable I/O in the extreme-scale era, we introduce novel object-centric data abstractions and storage mechanisms that take advantage of the deep storage hierarchy, named Proactive Data Containers (PDC). In this paper, we formulate object-centric PDCs and their mappings in different levels of the storage hierarchy. PDC adopts a client-server architecture with a set of servers managing data movement across storage layers. To demonstrate the effectiveness of the proposed PDC system, we have measured performance of benchmarks and I/O kernels from scientific simulation and analysis applications using PDC programming interface, and compared the results with existing highly tuned I/O libraries. Using asynchronous I/O along with data and metadata optimizations, PDC demonstrates up to 23× speedup over HDF5 and PLFS in writing and reading data from a plasma physics simulation. PDC achieves comparable performance with HDF5 and PLFS in reading and writing data of a single timestep at small scale, and outperforms them at a scale of larger than 10K cores. In contrast to existing storage systems, PDC offers user-space data management with the flexibility to allocate the number of PDC servers depending on the workload.

On the road to exascale, the high-performance computing (HPC) community is seeing the emergence of multi-tier storage systems. However, existing data management solutions for HPC applications are no longer suitable for handling the increased level of storage complexity and currently delegate that task back to the user. We describe a novel object-based data abstraction that takes advantage of deep memory hierarchies by providing a simplified programming interface that enables autonomous, asynchronous, and transparent data movement with a server-driven architecture. Users can define a mapping between the application memory and abstract storage objects, creating a linkage between either all or part of an object's content without data copy or transfer, avoiding explicit management of complex data movement across multiple storage hierarchies. We evaluate our system by storing plasma physics simulation data with different storage layouts.

Remote procedure call (RPC) is a technique that has been largely adopted by distributed services. This technique, now more and more used in the context of high-performance computing (HPC), allows the execution of routines to be delegated to remote nodes, which can be set aside and dedicated to specific tasks. However, existing RPC frameworks assume a socket-based network interface (usually on top of TCP/IP), which is not appropriate for HPC systems, because this API does not typically map well to the native network transport used on those systems, resulting in lower network performance. In addition, existing RPC frameworks often do not support handling large data arguments, such as those found in read or write calls. We present in this paper an asynchronous RPC interface, called Mercury, specifically designed for use in HPC systems. The interface allows asynchronous transfer of parameters and execution requests and provides direct support of large data arguments. Mercury is generic in order to allow any function call to be shipped. Additionally, the network implementation is abstracted, allowing easy porting to future systems and efficient use of existing native transport mechanisms.

Interfacing a GUI driven visualization/analysis package to an HPC application enables a supercomputer to be used as an interactive instrument. We achieve this by replacing the IO layer in the HDF5 library with a custom driver which transfers data in parallel between simulation and analysis. Our implementation using ParaView as the interface, allows a flexible combination of parallel simulation, concurrent parallel analysis, and GUI client, either on the same or separate machines. Each MPI job may use different core counts or hardware configurations, allowing fine tuning of the amount of resources dedicated to each part of the workload. By making use of a distributed shared memory file, one may read data from the simulation, modify it using ParaView pipelines, write it back, to be reused by the simulation (or vice versa). This allows not only simple parameter changes, but complete remeshing of grids, or operations involving regeneration of field values over the entire domain. To avoid the problem of manually customizing the GUI for each application that is to be steered, we make use of XML templates that describe outputs from the simulation (and inputs back to it) to automatically generate GUI controls for manipulation of the simulation.