Devito: Towards a generic Finite Difference DSL using Symbolic Python

Domain specific languages (DSL) have been used in a variety of fields to express complex scientific problems in a concise manner and provide automated performance optimization for a range of computational architectures. As such DSLs provide a powerful mechanism to speed up scientific Python computation that goes beyond traditional vectorization and pre-compilation approaches, while allowing domain scientists to build applications within the comforts of the Python software ecosystem. In this paper we present Devito, a new finite difference DSL that provides optimized stencil computation from high-level problem specifications based on symbolic Python expressions. We demonstrate Devito's symbolic API and performance advantages over traditional Python acceleration methods before highlighting its use in the scientific context of seismic inversion problems.Comment: pyHPC 2016 conference submissio

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

A Scalable Interactive Parallel Computing Environment for Python

Modern open source high-level languages such as R and Python are.increasingly playing an important role in increasing programmer productivity when programming high-performance computers. In this article, we describe Python Star-P, a high-level interactive parallel programming environment in Python. We discuss the architecture of the environment and the programming model along with a number of examples. We also describe the performance of the examples on .a cluster of multi-core machines. Finally, we compare our environment with that of other existing parallel computing tools for Python and describe the advantages of our model over others