MOLNs: A cloud platform for interactive, reproducible and scalable spatial stochastic computational experiments in systems biology using PyURDME

Computational experiments using spatial stochastic simulations have led to important new biological insights, but they require specialized tools, a complex software stack, as well as large and scalable compute and data analysis resources due to the large computational cost associated with Monte Carlo computational workflows. The complexity of setting up and managing a large-scale distributed computation environment to support productive and reproducible modeling can be prohibitive for practitioners in systems biology. This results in a barrier to the adoption of spatial stochastic simulation tools, effectively limiting the type of biological questions addressed by quantitative modeling. In this paper, we present PyURDME, a new, user-friendly spatial modeling and simulation package, and MOLNs, a cloud computing appliance for distributed simulation of stochastic reaction-diffusion models. MOLNs is based on IPython and provides an interactive programming platform for development of sharable and reproducible distributed parallel computational experiments

Report from GI-Dagstuhl Seminar 16394: Software Performance Engineering in the DevOps World

This report documents the program and the outcomes of GI-Dagstuhl Seminar 16394 "Software Performance Engineering in the DevOps World". The seminar addressed the problem of performance-aware DevOps. Both, DevOps and performance engineering have been growing trends over the past one to two years, in no small part due to the rise in importance of identifying performance anomalies in the operations (Ops) of cloud and big data systems and feeding these back to the development (Dev). However, so far, the research community has treated software engineering, performance engineering, and cloud computing mostly as individual research areas. We aimed to identify cross-community collaboration, and to set the path for long-lasting collaborations towards performance-aware DevOps. The main goal of the seminar was to bring together young researchers (PhD students in a later stage of their PhD, as well as PostDocs or Junior Professors) in the areas of (i) software engineering, (ii) performance engineering, and (iii) cloud computing and big data to present their current research projects, to exchange experience and expertise, to discuss research challenges, and to develop ideas for future collaborations

Parallel and Distributed Simulation from Many Cores to the Public Cloud (Extended Version)

In this tutorial paper, we will firstly review some basic simulation concepts and then introduce the parallel and distributed simulation techniques in view of some new challenges of today and tomorrow. More in particular, in the last years there has been a wide diffusion of many cores architectures and we can expect this trend to continue. On the other hand, the success of cloud computing is strongly promoting the everything as a service paradigm. Is parallel and distributed simulation ready for these new challenges? The current approaches present many limitations in terms of usability and adaptivity: there is a strong need for new evaluation metrics and for revising the currently implemented mechanisms. In the last part of the paper, we propose a new approach based on multi-agent systems for the simulation of complex systems. It is possible to implement advanced techniques such as the migration of simulated entities in order to build mechanisms that are both adaptive and very easy to use. Adaptive mechanisms are able to significantly reduce the communication cost in the parallel/distributed architectures, to implement load-balance techniques and to cope with execution environments that are both variable and dynamic. Finally, such mechanisms will be used to build simulations on top of unreliable cloud services.Comment: Tutorial paper published in the Proceedings of the International Conference on High Performance Computing and Simulation (HPCS 2011). Istanbul (Turkey), IEEE, July 2011. ISBN 978-1-61284-382-