funcX: A Federated Function Serving Fabric for Science

Exploding data volumes and velocities, new computational methods and platforms, and ubiquitous connectivity demand new approaches to computation in the sciences. These new approaches must enable computation to be mobile, so that, for example, it can occur near data, be triggered by events (e.g., arrival of new data), be offloaded to specialized accelerators, or run remotely where resources are available. They also require new design approaches in which monolithic applications can be decomposed into smaller components, that may in turn be executed separately and on the most suitable resources. To address these needs we present funcX---a distributed function as a service (FaaS) platform that enables flexible, scalable, and high performance remote function execution. funcX's endpoint software can transform existing clouds, clusters, and supercomputers into function serving systems, while funcX's cloud-hosted service provides transparent, secure, and reliable function execution across a federated ecosystem of endpoints. We motivate the need for funcX with several scientific case studies, present our prototype design and implementation, show optimizations that deliver throughput in excess of 1 million functions per second, and demonstrate, via experiments on two supercomputers, that funcX can scale to more than more than 130000 concurrent workers.Comment: Accepted to ACM Symposium on High-Performance Parallel and Distributed Computing (HPDC 2020). arXiv admin note: substantial text overlap with arXiv:1908.0490

Heterogeneous hierarchical workflow composition

Workflow systems promise scientists an automated end-to-end path from hypothesis to discovery. However, expecting any single workflow system to deliver such a wide range of capabilities is impractical. A more practical solution is to compose the end-to-end workflow from more than one system. With this goal in mind, the integration of task-based and in situ workflows is explored, where the result is a hierarchical heterogeneous workflow composed of subworkflows, with different levels of the hierarchy using different programming, execution, and data models. Materials science use cases demonstrate the advantages of such heterogeneous hierarchical workflow composition.This work is a collaboration between Argonne National Laboratory and the Barcelona Supercomputing Center within the Joint Laboratory for Extreme-Scale Computing. This research is supported by the U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research, under contract number DE-AC02- 06CH11357, program manager Laura Biven, and by the Spanish Government (SEV2015-0493), by the Spanish Ministry of Science and Innovation (contract TIN2015-65316-P), by Generalitat de Catalunya (contract 2014-SGR-1051).Peer ReviewedPostprint (author's final draft

Design and Evaluation of a Collective IO Model for Loosely Coupled Petascale Programming

Loosely coupled programming is a powerful paradigm for rapidly creating higher-level applications from scientific programs on petascale systems, typically using scripting languages. This paradigm is a form of many-task computing (MTC) which focuses on the passing of data between programs as ordinary files rather than messages. While it has the significant benefits of decoupling producer and consumer and allowing existing application programs to be executed in parallel with no recoding, its typical implementation using shared file systems places a high performance burden on the overall system and on the user who will analyze and consume the downstream data. Previous efforts have achieved great speedups with loosely coupled programs, but have done so with careful manual tuning of all shared file system access. In this work, we evaluate a prototype collective IO model for file-based MTC. The model enables efficient and easy distribution of input data files to computing nodes and gathering of output results from them. It eliminates the need for such manual tuning and makes the programming of large-scale clusters using a loosely coupled model easier. Our approach, inspired by in-memory approaches to collective operations for parallel programming, builds on fast local file systems to provide high-speed local file caches for parallel scripts, uses a broadcast approach to handle distribution of common input data, and uses efficient scatter/gather and caching techniques for input and output. We describe the design of the prototype model, its implementation on the Blue Gene/P supercomputer, and present preliminary measurements of its performance on synthetic benchmarks and on a large-scale molecular dynamics application.Comment: IEEE Many-Task Computing on Grids and Supercomputers (MTAGS08) 200

Hydropower Scheduling Toolchains:Comparing Experiences in Brazil, Norway,and USA and Implications for Synergistic Research

While hydropower scheduling is a well-defined problem, there are institutional differences that need to be identified to promoteconstructive and synergistic research. We study how established toolchains of computer models are organized to assist operational hydro-power scheduling in Brazil, Norway, and the United States’Colorado River System (CRS). These three systems have vast hydropowerresources, with numerous, geographically widespread, and complex reservoir systems. Although the underlying objective of hydropowerscheduling is essentially the same, the systems are operated in different market contexts and with different alternative uses of water, where thestakeholders’objectives clearly differ. This in turn leads to different approaches when it comes to the scope, organization, and use of modelsfor operational hydropower scheduling and the information flow between the models. We describe these hydropower scheduling toolchains,identify the similarities and differences, and shed light on the original ideas that motivated their creation. We then discuss the need to improveand extend the current toolchains and the opportunities to synergistic research that embrace those contextual differences.Hydropower Scheduling Toolchains:Comparing Experiences in Brazil, Norway,and USA and Implications for Synergistic ResearchacceptedVersio

A compiler approach to scalable concurrent program design

The programmer's most powerful tool for controlling complexity in program design is abstraction. We seek to use abstraction in the design of concurrent programs, so as to separate design decisions concerned with decomposition, communication, synchronization, mapping, granularity, and load balancing. This paper describes programming and compiler techniques intended to facilitate this design strategy. The programming techniques are based on a core programming notation with two important properties: the ability to separate concurrent programming concerns, and extensibility with reusable programmer-defined abstractions. The compiler techniques are based on a simple transformation system together with a set of compilation transformations and portable run-time support. The transformation system allows programmer-defined abstractions to be defined as source-to-source transformations that convert abstractions into the core notation. The same transformation system is used to apply compilation transformations that incrementally transform the core notation toward an abstract concurrent machine. This machine can be implemented on a variety of concurrent architectures using simple run-time support. The transformation, compilation, and run-time system techniques have been implemented and are incorporated in a public-domain program development toolkit. This toolkit operates on a wide variety of networked workstations, multicomputers, and shared-memory multiprocessors. It includes a program transformer, concurrent compiler, syntax checker, debugger, performance analyzer, and execution animator. A variety of substantial applications have been developed using the toolkit, in areas such as climate modeling and fluid dynamics