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Scientific research and development campaigns are materialized by workflows of applications executing on high-performance computing (HPC) systems. These applications con-sist of tasks that can have inter- or intra-application flows of data to achieve the research goals successfully. These dataflows create dependencies among the tasks and cause resource con-tention on shared storage systems, thus limiting the aggregated I/O bandwidth achieved by the workflow. However, these I/O performance issues are often solved by tedious and manual efforts that demand holistic knowledge about the data dependencies in the workflow and the information about the infrastructure being utilized. Taking this into consideration, we design DFMan, a graph-based dataflow management and optimization framework for maximizing I/O bandwidth by leveraging the powerful storage stack on HPC systems to manage data sharing optimally among the tasks in the workflows. In particular, we devise a graph-based optimization algorithm that can leverage an intuitive graph representation of dataflow- and system-related information, and automatically carry out co-scheduling of task and data placement. According to our experiments, DFMan optimizes a wide variety of scientific workflows such as Hurricane 3D on Cloud Model 1 (CM1), Montage Carina Nebula (NGC3372), and an emulated dataflow kernel of the Multiscale Machine-learned Modeling Infrastructure (MuMMI I/O) on the Lassen supercomputer, and improves their aggregated I/O bandwidth by up to 5.42 x, 2.12 x and 1.29 x, respectively, compared to the baseline bandwidth. 

With the emergence of versatile storage systems, multi-level checkpointing (MLC) has become a common approach to gain efficiency. However, multi-level checkpoint/restart can cause enormous I/O traffic on HPC systems. To use multilevel checkpointing efficiently, it is important to optimize checkpoint/restart configurations. Current approaches, namely modeling and simulation, are either inaccurate or slow in determining the optimal configuration for a large scale system. In this paper, we show that machine learning models can be used in combination with accurate simulation to determine the optimal checkpoint configurations. We also demonstrate that more advanced techniques such as neural networks can further improve the performance in optimizing checkpoint configurations. 

On large-scale high performance computing (HPC) systems, applications are provisioned with aggregated resources to meet their peak demands for brief periods. This results in resource underutilization because application requirements vary a lot during execution. This problem is particularly pronounced for deep learning applications that are running on leadership HPC systems with a large pool of burst buffers in the form of flash or non-volatile memory (NVM) devices. In this paper, we examine the I/O patterns of deep neural networks and reveal their critical need of loading many small samples randomly for successful training. We have designed a specialized Deep Learning File System (DLFS) that provides a thin set of APIs. Particularly, we design the metadata management of DLFS through an in-memory tree-based sample directory and its file services through the user-level SPDK protocol that can disaggregate the capabilities of NVM Express (NVMe) devices to parallel training tasks. Our experimental results show that DLFS can dramatically improve the throughput of training for deep neural networks on NVMe over Fabric, compared with the kernel-based Ext4 file system. Furthermore, DLFS achieves efficient user-level storage disaggregation with very little CPU utilization. 

Parallel File Systems (PFSs) are frequently deployed on leadership High Performance Computing (HPC) systems to ensure efficient I/O, persistent storage and scalable performance. Emerging Deep Learning (DL) applications incur new I/O and storage requirements to HPC systems with batched input of small random files. This mandates PFSs to have commensurate features that can meet the needs of DL applications. BeeGFS is a recently emerging PFS that has grabbed the attention of the research and industry world because of its performance, scalability and ease of use. While emphasizing a systematic performance analysis of BeeGFS, in this paper, we present the architectural and system features of BeeGFS, and perform an experimental evaluation using cutting-edge I/O, Metadata and DL application benchmarks. Particularly, we have utilized AlexNet and ResNet-50 models for the classification of ImageNet dataset using the Livermore Big Artificial Neural Network Toolkit (LBANN), and ImageNet data reader pipeline atop TensorFlow and Horovod. Through extensive performance characterization of BeeGFS, our study provides a useful documentation on how to leverage BeeGFS for the emerging DL applications.