Early Observations on Performance of Google Compute Engine for Scientific Computing

Although Cloud computing emerged for business applications in industry, public Cloud services have been widely accepted and encouraged for scientific computing in academia. The recently available Google Compute Engine (GCE) is claimed to support high-performance and computationally intensive tasks, while little evaluation studies can be found to reveal GCE's scientific capabilities. Considering that fundamental performance benchmarking is the strategy of early-stage evaluation of new Cloud services, we followed the Cloud Evaluation Experiment Methodology (CEEM) to benchmark GCE and also compare it with Amazon EC2, to help understand the elementary capability of GCE for dealing with scientific problems. The experimental results and analyses show both potential advantages of, and possible threats to applying GCE to scientific computing. For example, compared to Amazon's EC2 service, GCE may better suit applications that require frequent disk operations, while it may not be ready yet for single VM-based parallel computing. Following the same evaluation methodology, different evaluators can replicate and/or supplement this fundamental evaluation of GCE. Based on the fundamental evaluation results, suitable GCE environments can be further established for case studies of solving real science problems.Comment: Proceedings of the 5th International Conference on Cloud Computing Technologies and Science (CloudCom 2013), pp. 1-8, Bristol, UK, December 2-5, 201

Weighting strategies in the meta-analysis of single-case studies

Establishing the evidence base of interventions taking place in areas such as psychology and special education is one of the research aims of single-case designs in conjunction with the aim of improving the well-being of participants in the studies. The scientific criteria for solid evidence focus on the internal and external validity of the studies, and for both types of validity, replicating studies and integrating the results of these replications (i.e., meta-analyzing) is crucial. In the present study we deal with one of the aspects of meta-analysis, namely the weighting strategy used when computing an average effect size across studies. Several weighting strategies suggested for single-case designs are discussed and compared in the context of both simulated and real-life data. The results indicated that there are no major differences between the strategies and, thus we consider that it is important to choose weights with a sound statistical and methodological basis, while scientific parsimony is another relevant criterion. More empirical research and conceptual discussion are warranted regarding the optimal weighting strategy in single-case designs, alongside investigation of the optimal effect size measure in these types of design

Hardware acceleration of reaction-diffusion systems:a guide to optimisation of pattern formation algorithms using OpenACC

Reaction Diffusion Systems (RDS) have widespread applications in computational ecology, biology, computer graphics and the visual arts. For the former applications a major barrier to the development of effective simulation models is their computational complexity - it takes a great deal of processing power to simulate enough replicates such that reliable conclusions can be drawn. Optimizing the computation is thus highly desirable in order to obtain more results with less resources. Existing optimizations of RDS tend to be low-level and GPGPU based. Here we apply the higher-level OpenACC framework to two case studies: a simple RDS to learn the ‘workings’ of OpenACC and a more realistic and complex example. Our results show that simple parallelization directives and minimal data transfer can produce a useful performance improvement. The relative simplicity of porting OpenACC code between heterogeneous hardware is a key benefit to the scientific computing community in terms of speed-up and portability

Fine-Grain Interoperability of Scientific Workflows in Distributed Computing Infrastructures

Today there exist a wide variety of scientific workflow management systems, each designed to fulfill the needs of a certain scientific community. Unfortunately, once a workflow application has been designed in one particular system it becomes very hard to share it with users working with different systems. Portability of workflows and interoperability between current systems barely exists. In this work, we present the fine-grained interoperability solution proposed in the SHIWA European project that brings together four representative European workflow systems: ASKALON, MOTEUR, WS-PGRADE, and Triana. The proposed interoperability is realised at two levels of abstraction: abstract and concrete. At the abstract level, we propose a generic Interoperable Workflow Intermediate Representation (IWIR) that can be used as a common bridge for translating workflows between different languages independent of the underlying distributed computing infrastructure. At the concrete level, we propose a bundling technique that aggregates the abstract IWIR representation and concrete task representations to enable workflow instantiation, execution and scheduling. We illustrate case studies using two real-workflow applications designed in a native environment and then translated and executed by a foreign workflow system in a foreign distributed computing infrastructure. © 2013 Springer Science+Business Media Dordrecht

Giving RSEs a Larger Stage through the Better Scientific Software Fellowship

The Better Scientific Software Fellowship (BSSwF) was launched in 2018 to foster and promote practices, processes, and tools to improve developer productivity and software sustainability of scientific codes. BSSwF's vision is to grow the community with practitioners, leaders, mentors, and consultants to increase the visibility of scientific software production and sustainability. Over the last five years, many fellowship recipients and honorable mentions have identified as research software engineers (RSEs). This paper provides case studies from several of the program's participants to illustrate some of the diverse ways BSSwF has benefited both the RSE and scientific communities. In an environment where the contributions of RSEs are too often undervalued, we believe that programs such as BSSwF can be a valuable means to recognize and encourage community members to step outside of their regular commitments and expand on their work, collaborations and ideas for a larger audience.Comment: submitted to Computing in Science & Engineering (CiSE), Special Issue on the Future of Research Software Engineers in the U