Towards a Mini-App for Smoothed Particle Hydrodynamics at Exascale

The smoothed particle hydrodynamics (SPH) technique is a purely Lagrangian method, used in numerical simulations of fluids in astrophysics and computational fluid dynamics, among many other fields. SPH simulations with detailed physics represent computationally-demanding calculations. The parallelization of SPH codes is not trivial due to the absence of a structured grid. Additionally, the performance of the SPH codes can be, in general, adversely impacted by several factors, such as multiple time-stepping, long-range interactions, and/or boundary conditions. This work presents insights into the current performance and functionalities of three SPH codes: SPHYNX, ChaNGa, and SPH-flow. These codes are the starting point of an interdisciplinary co-design project, SPH-EXA, for the development of an Exascale-ready SPH mini-app. To gain such insights, a rotating square patch test was implemented as a common test simulation for the three SPH codes and analyzed on two modern HPC systems. Furthermore, to stress the differences with the codes stemming from the astrophysics community (SPHYNX and ChaNGa), an additional test case, the Evrard collapse, has also been carried out. This work extrapolates the common basic SPH features in the three codes for the purpose of consolidating them into a pure-SPH, Exascale-ready, optimized, mini-app. Moreover, the outcome of this serves as direct feedback to the parent codes, to improve their performance and overall scalability.Comment: 18 pages, 4 figures, 5 tables, 2018 IEEE International Conference on Cluster Computing proceedings for WRAp1

Exascale machines require new programming paradigms and runtimes

Extreme scale parallel computing systems will have tens of thousands of optionally accelerator-equiped nodes with hundreds of cores each, as well as deep memory hierarchies and complex interconnect topologies. Such Exascale systems will provide hardware parallelism at multiple levels and will be energy constrained. Their extreme scale and the rapidly deteriorating reliablity of their hardware components means that Exascale systems will exhibit low mean-time-between-failure values. Furthermore, existing programming models already require heroic programming and optimisation efforts to achieve high efficiency on current supercomputers. Invariably, these efforts are platform-specific and non-portable. In this paper we will explore the shortcomings of existing programming models and runtime systems for large scale computing systems. We then propose and discuss important features of programming paradigms and runtime system to deal with large scale computing systems with a special focus on data-intensive applications and resilience. Finally, we also discuss code sustainability issues and propose several software metrics that are of paramount importance for code development for large scale computing systems

Big Data Application and System Co-optimization in Cloud and HPC Environment

The emergence of big data requires powerful computational resources and memory subsystems that can be scaled efficiently to accommodate its demands. Cloud is a new well-established computing paradigm that can offer customized computing and memory resources to meet the scalable demands of big data applications. In addition, the flexible pay-as-you-go pricing model offers opportunities for using large scale of resources with low cost and no infrastructure maintenance burdens. High performance computing (HPC) on the other hand also has powerful infrastructure that has potential to support big data applications. In this dissertation, we explore the application and system co-optimization opportunities to support big data in both cloud and HPC environments. Specifically, we explore the unique features of both application and system to seek overlooked optimization opportunities or tackle challenges that are difficult to be addressed by only looking at the application or system individually. Based on the characteristics of the workloads and their underlying systems to derive the optimized deployment and runtime schemes, we divide the workflow into four categories: 1) memory intensive applications; 2) compute intensive applications; 3) both memory and compute intensive applications; 4) I/O intensive applications.When deploying memory intensive big data applications to the public clouds, one important yet challenging problem is selecting a specific instance type whose memory capacity is large enough to prevent out-of-memory errors while the cost is minimized without violating performance requirements. In this dissertation, we propose two techniques for efficient deployment of big data applications with dynamic and intensive memory footprint in the cloud. The first approach builds a performance-cost model that can accurately predict how, and by how much, virtual memory size would slow down the application and consequently, impact the overall monetary cost. The second approach employs a lightweight memory usage prediction methodology based on dynamic meta-models adjusted by the application's own traits. The key idea is to eliminate the periodical checkpointing and migrate the application only when the predicted memory usage exceeds the physical allocation. When applying compute intensive applications to the clouds, it is critical to make the applications scalable so that it can benefit from the massive cloud resources. In this dissertation, we first use the Kirchhoff law, which is one of the most widely used physical laws in many engineering principles, as an example workload for our study. The key challenge of applying the Kirchhoff law to real-world applications at scale lies in the high, if not prohibitive, computational cost to solve a large number of nonlinear equations. In this dissertation, we propose a high-performance deep-learning-based approach for Kirchhoff analysis, namely HDK. HDK employs two techniques to improve the performance: (i) early pruning of unqualified input candidates which simplify the equation and select a meaningful input data range; (ii) parallelization of forward labelling which execute steps of the problem in parallel. When it comes to both memory and compute intensive applications in clouds, we use blockchain system as a benchmark. Existing blockchain frameworks exhibit a technical barrier for many users to modify or test out new research ideas in blockchains. To make it worse, many advantages of blockchain systems can be demonstrated only at large scales, which are not always available to researchers. In this dissertation, we develop an accurate and efficient emulating system to replay the execution of large-scale blockchain systems on tens of thousands of nodes in the cloud. For I/O intensive applications, we observe one important yet often neglected side effect of lossy scientific data compression. Lossy compression techniques have demonstrated promising results in significantly reducing the scientific data size while guaranteeing the compression error bounds, but the compressed data size is often highly skewed and thus impact the performance of parallel I/O. Therefore, we believe it is critical to pay more attention to the unbalanced parallel I/O caused by lossy scientific data compression

Collective Vector Clocks: Low-Overhead Transparent Checkpointing for MPI

Taking snapshots of the state of a distributed computation is useful for off-line analysis of the computational state, for later restarting from the saved snapshot, for cloning a copy of the computation, and for migration to a new cluster. The problem is made more difficult when supporting collective operations across processes, such as barrier, reduce operations, scatter and gather, etc. Some processes may have reached the barrier or other collective operation, while other processes wait a long time to reach that same barrier or collective operation. At least two solutions are well-known in the literature: (I) draining in-flight network messages and then freezing the network at checkpoint time; and (ii) adding a barrier prior to the collective operation, and either completing the operation or aborting the barrier if not all processes are present. Both solutions suffer important drawbacks. The code in the first solution must be updated whenever one ports to a newer network. The second solution implies additional barrier-related network traffic prior to each collective operation. This work presents a third solution that avoids both drawbacks. There is no additional barrier-related traffic, and the solution is implemented entirely above the network layer. The work is demonstrated in the context of transparent checkpointing of MPI libraries for parallel computation, where each of the first two solutions have already been used in prior systems, and then abandoned due to the aforementioned drawbacks. Experiments demonstrate the low runtime overhead of this new, network-agnostic approach. The approach is also extended to non-blocking, collective operations in order to handle overlapping of computation and communication.Comment: 16 pages, 6 figure