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

PaPaS: A Portable, Lightweight, and Generic Framework for Parallel Parameter Studies

The current landscape of scientific research is widely based on modeling and simulation, typically with complexity in the simulation's flow of execution and parameterization properties. Execution flows are not necessarily straightforward since they may need multiple processing tasks and iterations. Furthermore, parameter and performance studies are common approaches used to characterize a simulation, often requiring traversal of a large parameter space. High-performance computers offer practical resources at the expense of users handling the setup, submission, and management of jobs. This work presents the design of PaPaS, a portable, lightweight, and generic workflow framework for conducting parallel parameter and performance studies. Workflows are defined using parameter files based on keyword-value pairs syntax, thus removing from the user the overhead of creating complex scripts to manage the workflow. A parameter set consists of any combination of environment variables, files, partial file contents, and command line arguments. PaPaS is being developed in Python 3 with support for distributed parallelization using SSH, batch systems, and C++ MPI. The PaPaS framework will run as user processes, and can be used in single/multi-node and multi-tenant computing systems. An example simulation using the BehaviorSpace tool from NetLogo and a matrix multiply using OpenMP are presented as parameter and performance studies, respectively. The results demonstrate that the PaPaS framework offers a simple method for defining and managing parameter studies, while increasing resource utilization.Comment: 8 pages, 6 figures, PEARC '18: Practice and Experience in Advanced Research Computing, July 22--26, 2018, Pittsburgh, PA, US

Task Runtime Prediction in Scientific Workflows Using an Online Incremental Learning Approach

Many algorithms in workflow scheduling and resource provisioning rely on the performance estimation of tasks to produce a scheduling plan. A profiler that is capable of modeling the execution of tasks and predicting their runtime accurately, therefore, becomes an essential part of any Workflow Management System (WMS). With the emergence of multi-tenant Workflow as a Service (WaaS) platforms that use clouds for deploying scientific workflows, task runtime prediction becomes more challenging because it requires the processing of a significant amount of data in a near real-time scenario while dealing with the performance variability of cloud resources. Hence, relying on methods such as profiling tasks' execution data using basic statistical description (e.g., mean, standard deviation) or batch offline regression techniques to estimate the runtime may not be suitable for such environments. In this paper, we propose an online incremental learning approach to predict the runtime of tasks in scientific workflows in clouds. To improve the performance of the predictions, we harness fine-grained resources monitoring data in the form of time-series records of CPU utilization, memory usage, and I/O activities that are reflecting the unique characteristics of a task's execution. We compare our solution to a state-of-the-art approach that exploits the resources monitoring data based on regression machine learning technique. From our experiments, the proposed strategy improves the performance, in terms of the error, up to 29.89%, compared to the state-of-the-art solutions.Comment: Accepted for presentation at main conference track of 11th IEEE/ACM International Conference on Utility and Cloud Computin

Workflow Partitioning and Deployment on the Cloud using Orchestra

Orchestrating service-oriented workflows is typically based on a design model that routes both data and control through a single point - the centralised workflow engine. This causes scalability problems that include the unnecessary consumption of the network bandwidth, high latency in transmitting data between the services, and performance bottlenecks. These problems are highly prominent when orchestrating workflows that are composed from services dispersed across distant geographical locations. This paper presents a novel workflow partitioning approach, which attempts to improve the scalability of orchestrating large-scale workflows. It permits the workflow computation to be moved towards the services providing the data in order to garner optimal performance results. This is achieved by decomposing the workflow into smaller sub workflows for parallel execution, and determining the most appropriate network locations to which these sub workflows are transmitted and subsequently executed. This paper demonstrates the efficiency of our approach using a set of experimental workflows that are orchestrated over Amazon EC2 and across several geographic network regions.Comment: To appear in Proceedings of the IEEE/ACM 7th International Conference on Utility and Cloud Computing (UCC 2014

A Dataflow Language for Decentralised Orchestration of Web Service Workflows

Orchestrating centralised service-oriented workflows presents significant scalability challenges that include: the consumption of network bandwidth, degradation of performance, and single points of failure. This paper presents a high-level dataflow specification language that attempts to address these scalability challenges. This language provides simple abstractions for orchestrating large-scale web service workflows, and separates between the workflow logic and its execution. It is based on a data-driven model that permits parallelism to improve the workflow performance. We provide a decentralised architecture that allows the computation logic to be moved "closer" to services involved in the workflow. This is achieved through partitioning the workflow specification into smaller fragments that may be sent to remote orchestration services for execution. The orchestration services rely on proxies that exploit connectivity to services in the workflow. These proxies perform service invocations and compositions on behalf of the orchestration services, and carry out data collection, retrieval, and mediation tasks. The evaluation of our architecture implementation concludes that our decentralised approach reduces the execution time of workflows, and scales accordingly with the increasing size of data sets.Comment: To appear in Proceedings of the IEEE 2013 7th International Workshop on Scientific Workflows, in conjunction with IEEE SERVICES 201