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

Group Communication Patterns for High Performance Computing in Scala

We developed a Functional object-oriented Parallel framework (FooPar) for high-level high-performance computing in Scala. Central to this framework are Distributed Memory Parallel Data structures (DPDs), i.e., collections of data distributed in a shared nothing system together with parallel operations on these data. In this paper, we first present FooPar's architecture and the idea of DPDs and group communications. Then, we show how DPDs can be implemented elegantly and efficiently in Scala based on the Traversable/Builder pattern, unifying Functional and Object-Oriented Programming. We prove the correctness and safety of one communication algorithm and show how specification testing (via ScalaCheck) can be used to bridge the gap between proof and implementation. Furthermore, we show that the group communication operations of FooPar outperform those of the MPJ Express open source MPI-bindings for Java, both asymptotically and empirically. FooPar has already been shown to be capable of achieving close-to-optimal performance for dense matrix-matrix multiplication via JNI. In this article, we present results on a parallel implementation of the Floyd-Warshall algorithm in FooPar, achieving more than 94 % efficiency compared to the serial version on a cluster using 100 cores for matrices of dimension 38000 x 38000

'BioNessie(G) - a grid enabled biochemical networks simulation environment

The simulation of biochemical networks provides insight and understanding about the underlying biochemical processes and pathways used by cells and organisms. BioNessie is a biochemical network simulator which has been developed at the University of Glasgow. This paper describes the simulator and focuses in particular on how it has been extended to benefit from a wide variety of high performance compute resources across the UK through Grid technologies to support larger scale simulations

BioNessie - a grid enabled biochemical networks simulation environment

The simulation of biochemical networks provides insight and understanding about the underlying biochemical processes and pathways used by cells and organisms. BioNessie is a biochemical network simulator which has been developed at the University of Glasgow. This paper describes the simulator and focuses in particular on how it has been extended to benefit from a wide variety of high performance compute resources across the UK through Grid technologies to support larger scale simulations

cphVB: A System for Automated Runtime Optimization and Parallelization of Vectorized Applications

Modern processor architectures, in addition to having still more cores, also require still more consideration to memory-layout in order to run at full capacity. The usefulness of most languages is deprecating as their abstractions, structures or objects are hard to map onto modern processor architectures efficiently. The work in this paper introduces a new abstract machine framework, cphVB, that enables vector oriented high-level programming languages to map onto a broad range of architectures efficiently. The idea is to close the gap between high-level languages and hardware optimized low-level implementations. By translating high-level vector operations into an intermediate vector bytecode, cphVB enables specialized vector engines to efficiently execute the vector operations. The primary success parameters are to maintain a complete abstraction from low-level details and to provide efficient code execution across different, modern, processors. We evaluate the presented design through a setup that targets multi-core CPU architectures. We evaluate the performance of the implementation using Python implementations of well-known algorithms: a jacobi solver, a kNN search, a shallow water simulation and a synthetic stencil simulation. All demonstrate good performance

Generic access to symbolic computing services

Symbolic computation is one of the computational domains that requires large computational resources. Computer Algebra Systems (CAS), the main tools used for symbolic computations, are mainly designed to be used as software tools installed on standalone machines that do not provide the required resources for solving large symbolic computation problems. In order to support symbolic computations an infrastructure built upon massively distributed computational environments must be developed. Building an infrastructure for symbolic computations requires a thorough analysis of the most important requirements raised by the symbolic computation world and must be built based on the most suitable architectural styles and technologies. The architecture that we propose is composed of several main components: the Computer Algebra System (CAS) Server that exposes the functionality implemented by one or more supporting CASs through generic interfaces of Grid Services; the Architecture for Grid Symbolic Services Orchestration (AGSSO) Server that allows seamless composition of CAS Server capabilities; and client side libraries to assist the users in describing workflows for symbolic computations directly within the CAS environment. We have also designed and developed a framework for automatic data management of mathematical content that relies on OpenMath encoding. To support the validation and fine tuning of the system we have developed a simulation platform that mimics the environment on which the architecture is deployed