Exploring Scientific Application Performance Using Large Scale Object Storage

One of the major performance and scalability bottlenecks in large scientific applications is parallel reading and writing to supercomputer I/O systems. The usage of parallel file systems and consistency requirements of POSIX, that all the traditional HPC parallel I/O interfaces adhere to, pose limitations to the scalability of scientific applications. Object storage is a widely used storage technology in cloud computing and is more frequently proposed for HPC workload to address and improve the current scalability and performance of I/O in scientific applications. While object storage is a promising technology, it is still unclear how scientific applications will use object storage and what the main performance benefits will be. This work addresses these questions, by emulating an object storage used by a traditional scientific application and evaluating potential performance benefits. We show that scientific applications can benefit from the usage of object storage on large scales.Comment: Preprint submitted to WOPSSS workshop at ISC 201

CRAFT: A library for easier application-level Checkpoint/Restart and Automatic Fault Tolerance

In order to efficiently use the future generations of supercomputers, fault tolerance and power consumption are two of the prime challenges anticipated by the High Performance Computing (HPC) community. Checkpoint/Restart (CR) has been and still is the most widely used technique to deal with hard failures. Application-level CR is the most effective CR technique in terms of overhead efficiency but it takes a lot of implementation effort. This work presents the implementation of our C++ based library CRAFT (Checkpoint-Restart and Automatic Fault Tolerance), which serves two purposes. First, it provides an extendable library that significantly eases the implementation of application-level checkpointing. The most basic and frequently used checkpoint data types are already part of CRAFT and can be directly used out of the box. The library can be easily extended to add more data types. As means of overhead reduction, the library offers a build-in asynchronous checkpointing mechanism and also supports the Scalable Checkpoint/Restart (SCR) library for node level checkpointing. Second, CRAFT provides an easier interface for User-Level Failure Mitigation (ULFM) based dynamic process recovery, which significantly reduces the complexity and effort of failure detection and communication recovery mechanism. By utilizing both functionalities together, applications can write application-level checkpoints and recover dynamically from process failures with very limited programming effort. This work presents the design and use of our library in detail. The associated overheads are thoroughly analyzed using several benchmarks

Survey of storage systems for high-performance computing

In current supercomputers, storage is typically provided by parallel distributed file systems for hot data and tape archives for cold data. These file systems are often compatible with local file systems due to their use of the POSIX interface and semantics, which eases development and debugging because applications can easily run both on workstations and supercomputers. There is a wide variety of file systems to choose from, each tuned for different use cases and implementing different optimizations. However, the overall application performance is often held back by I/O bottlenecks due to insufficient performance of file systems or I/O libraries for highly parallel workloads. Performance problems are dealt with using novel storage hardware technologies as well as alternative I/O semantics and interfaces. These approaches have to be integrated into the storage stack seamlessly to make them convenient to use. Upcoming storage systems abandon the traditional POSIX interface and semantics in favor of alternative concepts such as object and key-value storage; moreover, they heavily rely on technologies such as NVM and burst buffers to improve performance. Additional tiers of storage hardware will increase the importance of hierarchical storage management. Many of these changes will be disruptive and require application developers to rethink their approaches to data management and I/O. A thorough understanding of today's storage infrastructures, including their strengths and weaknesses, is crucially important for designing and implementing scalable storage systems suitable for demands of exascale computing

DAOS as HPC Storage: Exploring Interfaces

This work in progress paper outlines research looking at the performance impact of using different storage interfaces to access the high performance object store DAOS. We demonstrate that using DAOS through a FUSE based filesystem interface can provide high performance, but there are impacts when choosing what I/O library or interface to utilises, with HDF5 exhibiting the highest impact. However, this varied depending on what type of I/O operations were undertaken

Multi-Architecture Monte-Carlo (MC) Simulation of Soft Coarse-Grained Polymeric Materials: SOft coarse grained Monte-carlo Acceleration (SOMA)

Multi-component polymer systems are important for the development of new materials because of their ability to phase-separate or self-assemble into nano-structures. The Single-Chain-in-Mean-Field (SCMF) algorithm in conjunction with a soft, coarse-grained polymer model is an established technique to investigate these soft-matter systems. Here we present an im- plementation of this method: SOft coarse grained Monte-carlo Accelera- tion (SOMA). It is suitable to simulate large system sizes with up to billions of particles, yet versatile enough to study properties of different kinds of molecular architectures and interactions. We achieve efficiency of the simulations commissioning accelerators like GPUs on both workstations as well as supercomputers. The implementa- tion remains flexible and maintainable because of the implementation of the scientific programming language enhanced by OpenACC pragmas for the accelerators. We present implementation details and features of the program package, investigate the scalability of our implementation SOMA, and discuss two applications, which cover system sizes that are difficult to reach with other, common particle-based simulation methods

TunIO: An AI-powered Framework for Optimizing HPC I/O

I/O operations are a known performance bottleneck of HPC applications. To achieve good performance, users often employ an iterative multistage tuning process to find an optimal I/O stack configuration. However, an I/O stack contains multiple layers, such as high-level I/O libraries, I/O middleware, and parallel file systems, and each layer has many parameters. These parameters and layers are entangled and influenced by each other. The tuning process is time-consuming and complex. In this work, we present TunIO, an AI-powered I/O tuning framework that implements several techniques to balance the tuning cost and performance gain, including tuning the high-impact parameters first. Furthermore, TunIO analyzes the application source code to extract its I/O kernel while retaining all statements necessary to perform I/O. It utilizes a smart selection of high-impact configuration parameters of the given tuning objective. Finally, it uses a novel Reinforcement Learning (RL)-driven early stopping mechanism to balance the cost and performance gain. Experimental results show that TunIO leads to a reduction of up to ≈73% in tuning time while achieving the same performance gain when compared to H5Tuner. It achieves a significant performance gain/cost of 208.4 MBps/min (I/O bandwidth for each minute spent in tuning) over existing approaches under our testing