Commercial Use of WS-PGRADE/gUSE

Although originally an academic and research product, the WS-PGRADE/gUSE framework is increasingly applied by commercial institutions too. Within the SCI-BUS project, several commercial gateways have been developed by various companies. WS-PGRADE/gUSE is also intensively used within another European research project, CloudSME (Cloud-based Simulation Platform for Manufacturing and Engineering). This chapter provides an overview and de-scribes in detail some commercial WS-PGRADE/gUSE based gateway implemen-tations. Two representative case studies from the SCI-BUS project, the Build and Test portal and the eDOX Archiver Gateway are introduced. An overview of WS-PGRADE/gUSE based gateways for running simulation applications in the cloud within the CloudSME project is also provided.

Enabling Scientific Workflow Sharing through Coarse-Grained Interoperability

E-scientists want to run their scientific experiments on Distributed Computing Infrastructures (DCI) to be able to access large pools of resources and services. To run experiments on these infrastructures requires specific expertise that e-scientists may not have. Workflows can hide resources and services as a virtualization layer providing a user interface that e-scientists can use. There are many workflow systems used by research communities but they are not interoperable. To learn a workflow system and create workflows in this workflow system may require significant efforts from e-scientists. Considering these efforts it is not reasonable to expect that research communities will learn new workflow systems if they want to run workflows developed in other workflow systems. The solution is to create workflow interoperability solutions to allow workflow sharing. The FP7 Sharing Interoperable Workflow for Large-Scale Scientific Simulation on Available DCIs (SHIWA) project developed two interoperability solutions to support workflow sharing: Coarse-Grained Interoperability (CGI) and Fine-Grained Interoperability (FGI). The project created the SHIWA Simulation Platform (SSP) to implement the Coarse-Grained Interoperability approach as a production-level service for research communities. The paper describes the CGI approach and how it enables sharing and combining existing workflows into complex applications and run them on Distributed Computing Infrastructures. The paper also outlines the architecture, components and usage scenarios of the simulation platform.

Analyzing and Modeling Medical Data on Distributed Computing Infrastructures

Researchers want to analyse Health Care data which may requires large pools of compute and data resources. To have them they need access to Distributed Computing Infrastructures (DCI). To use them it requires expertise which researchers may not have. Workflows can hide infrastructures. There are many workflow systems but they are not interoperable. To learn a workflow system and create workflows in a workflow system may require significant effort. Considering these efforts it is not reasonable to expect that researchers will learn new workflow systems if they want to run workflows of other workflow systems. As a result, the lack of interoperability prevents workflow sharing and a vast amount of research efforts is wasted. The FP7 Sharing Interoperable Workflow for Large-Scale Scientific Simulation on Available DCIs (SHIWA) project developed the Coarse-Grained Interoperability (CGI) to enable workflow sharing. The project created the SHIWA Simulation Platform (SSP) to support CGI as a production-level service. The paper describes how the CGI approach can be used for analysis and simulation in Health Care.

Validating Scanned Foot Images and Designing Customized Insoles on the Cloud

People with foot problems need special healthcare: foot care. Customized insoles can provide this care. They are inserts that are placed in the shoes. They correct biomechanical and postural inaccuracies in foot. Insole production contains four phases: foot image scanning, image validation, insole design and insole manufacturing. Currently, image scanning and validation is separated in location and time, i.e. podiatrists take images and insole designers validate them at different location and at different time. A cloud-based solution, the CloudSME one-stop shop simulation platform, enables remote access to image validation and insole design service deployed and running on the Cloud. The remote access allows podiatrists validating scanned image while the patient is in their offices. The simulation platform also supports remote design of customized insoles.

From science gateways to commercial solutions

The European CloudSME project that incorporated 24 European SMEs, besides five academic partners, has finished its funded phase in March 2016. This presentation will provide a summary of the results of the project, and will analyze the challenges and differences when developing “SME Gateways”, when compared to “Science Gateways”. CloudSME started in 2013 with the aim to develop a cloud-based simulation platform for manufacturing and engineering SMEs. The project was based around industry use-cases, five of which were incorporated in the project from the start, and seven additional ones that were added as an outcome of an open call in January 2015. CloudSME utilized science gateway related technologies, such as the commercial CloudBroker Platform and the WS-PGRADE/gUSE Gateway Framework that were developed in the preceding SCI-BUS project. As most important outcome, the project successfully implemented 12 industry quality demonstrators that showcase how SMEs in the manufacturing and engineering sector can utilize cloud-based simulation services. Some of these solutions are already market-ready and currently being rolled out by the software vendor companies. Some others require further fine-tuning and the implementation of commercial interfaces before being put into the market. The CloudSME use-cases came from a very wide application spectrum. The project implemented, for example, an open marketplace for micro-breweries to optimize their production and distribution processes, an insole design validation service to be used by podiatrists and shoe manufacturers, a generic stock management solution for manufacturing SMEs, and also several “classical” high-performance computing case-studies, such as fluid dynamics simulations for model helicopter design, and dual-fuel internal combustion engine simulation. As the project generated significant impact and interest in the manufacturing sector, 10 CloudSME stakeholders established a follow-up company called CloudSME UG for the future commercialization of the results. Besides the success stories, this talk would also like to highlight the difficulties when transferring the outcomes of an academic research project to real commercial applications. The different mindset and approach of academic and industry partners presented a real challenge for the CloudSME project, with some interesting and valuable lessons learnt. The academic way of supporting SMEs did not always work well with the rather different working practices and culture of many participants. Also, the quality of support regarding operational solutions required by the SMEs is well beyond the typical support services academic institutions are prepared for. Finally, a clear lack of trust in academic solutions when compared to commercial solutions was also imminent. The talk will highlight some of these challenges underpinned by the implementation of the CloudSME use-cases.

A Formal Approach to Support Interoperability in Scientific Meta-workflows

Scientific workflows orchestrate the execution of complex experiments frequently using distributed computing platforms. Meta-workflows represent an emerging type of such workflows which aim to reuse existing workflows from potentially different workflow systems to achieve more complex and experimentation minimizing workflow design and testing efforts. Workflow interoperability plays a profound role in achieving this objective. This paper is focused at fostering interoperability across meta-workflows that combine workflows of different workflow systems from diverse scientific domains. This is achieved by formalizing definitions of meta-workflow and its different types to standardize their data structures used to describe workflows to be published and shared via public repositories. The paper also includes thorough formalization of two workflow interoperability approaches based on this formal description: the coarse-grained and fine-grained workflow interoperability approach. The paper presents a case study from Astrophysics which successfully demonstrates the use of the concepts of meta-workflows and workflow interoperability within a scientific simulation platform.

Business Models for Cloud Computing: Experiences from Developing Modeling & Simulation as a Service Applications in Industry

The potential of cloud computing is gaining significant interest in Modeling & Simulation (M&S). The underlying concept of using computing power as a utility is very attractive to users that can access state-of-the-art hardware and software without capital investment. Moreover, the cloud computing characteristics of rapid elasticity and the ability to scale up or down according to workload make it very attractive to numerous applications including M&S. Research and development work typically focuses on the implementation of cloud-based systems supporting M&S as a Service (MSaaS). Such systems are typically composed of a supply chain of technology services. How is the payment collected from the end-user and distributed to the stakeholders in the supply chain? We discuss the business aspects of developing a cloud platform for various M&S applications. Business models from the perspectives of the stakeholders involved in providing and using MSaaS and cloud computing are investigated and presented.

Next generation e-learning platform: virtual laboratory simulations

Bioscience subjects require a significant amount of training in laboratory techniques to produce highly skilled science graduates. Many techniques which are currently used in diagnostic, research and industrial laboratories require expensive equipment for single users; examples of which include next generation sequencing, quantitative PCR, mass spectrometry and other analytical techniques. The cost of the machines, reagents and limited access frequently preclude undergraduate students from using such cutting edge techniques. In addition to cost and availability, the time taken for analytical runs on equipment such as High Performance Liquid Chromatography (HPLC) does not necessarily fit with the limitations of timetabling. Understanding the theory underlying these techniques without the accompanying practical classes can be unexciting for students. One alternative from wet laboratory provision is to use virtual simulations of such practical which enable students to see the machines and interact with them to generate data. The Faculty of Science and Technology at the University of Westminster has provided all second and third year undergraduate students with iPads so that these students all have access to a mobile device to assist with learning. We have purchased licences from Labster to access a range of virtual laboratory simulations. These virtual laboratories are fully equipped and require student responses to multiple answer questions in order to progress through the experiment. In a pilot study to look at the feasibility of the Labster virtual laboratory simulations with the iPad devices; second year Biological Science students (n=36) worked through the Labster HPLC simulation on iPads. The virtual HPLC simulation enabled students to optimise the conditions for the separation of drugs. Answers to Multiple choice questions were necessary to progress through the simulation, these focussed on the underlying principles of the HPLC technique. Following the virtual laboratory simulation students went to a real HPLC in the analytical suite in order to separate of asprin, caffeine and paracetamol. In a survey 100% of students (n=36) in this cohort agreed that the Labster virtual simulation had helped them to understand HPLC. In free text responses one student commented that "The terminology is very clear and I enjoyed using Labster very much”. One member of staff commented that “there was a very good knowledge interaction with the virtual practical”.