Many-Task Computing and Blue Waters

This report discusses many-task computing (MTC) generically and in the context of the proposed Blue Waters systems, which is planned to be the largest NSF-funded supercomputer when it begins production use in 2012. The aim of this report is to inform the BW project about MTC, including understanding aspects of MTC applications that can be used to characterize the domain and understanding the implications of these aspects to middleware and policies. Many MTC applications do not neatly fit the stereotypes of high-performance computing (HPC) or high-throughput computing (HTC) applications. Like HTC applications, by definition MTC applications are structured as graphs of discrete tasks, with explicit input and output dependencies forming the graph edges. However, MTC applications have significant features that distinguish them from typical HTC applications. In particular, different engineering constraints for hardware and software must be met in order to support these applications. HTC applications have traditionally run on platforms such as grids and clusters, through either workflow systems or parallel programming systems. MTC applications, in contrast, will often demand a short time to solution, may be communication intensive or data intensive, and may comprise very short tasks. Therefore, hardware and software for MTC must be engineered to support the additional communication and I/O and must minimize task dispatch overheads. The hardware of large-scale HPC systems, with its high degree of parallelism and support for intensive communication, is well suited for MTC applications. However, HPC systems often lack a dynamic resource-provisioning feature, are not ideal for task communication via the file system, and have an I/O system that is not optimized for MTC-style applications. Hence, additional software support is likely to be required to gain full benefit from the HPC hardware

SANTO: Social Aerial NavigaTion in Outdoors

In recent years, the advances in remote connectivity, miniaturization of electronic components and computing power has led to the integration of these technologies in daily devices like cars or aerial vehicles. From these, a consumer-grade option that has gained popularity are the drones or unmanned aerial vehicles, namely quadrotors. Although until recently they have not been used for commercial applications, their inherent potential for a number of tasks where small and intelligent devices are needed is huge. However, although the integrated hardware has advanced exponentially, the refinement of software used for these applications has not beet yet exploited enough. Recently, this shift is visible in the improvement of common tasks in the field of robotics, such as object tracking or autonomous navigation. Moreover, these challenges can become bigger when taking into account the dynamic nature of the real world, where the insight about the current environment is constantly changing. These settings are considered in the improvement of robot-human interaction, where the potential use of these devices is clear, and algorithms are being developed to improve this situation. By the use of the latest advances in artificial intelligence, the human brain behavior is simulated by the so-called neural networks, in such a way that computing system performs as similar as possible as the human behavior. To this end, the system does learn by error which, in an akin way to the human learning, requires a set of previous experiences quite considerable, in order for the algorithm to retain the manners. Applying these technologies to robot-human interaction do narrow the gap. Even so, from a bird's eye, a noticeable time slot used for the application of these technologies is required for the curation of a high-quality dataset, in order to ensure that the learning process is optimal and no wrong actions are retained. Therefore, it is essential to have a development platform in place to ensure these principles are enforced throughout the whole process of creation and optimization of the algorithm. In this work, multiple already-existing handicaps found in pipelines of this computational gauge are exposed, approaching each of them in a independent and simple manner, in such a way that the solutions proposed can be leveraged by the maximum number of workflows. On one side, this project concentrates on reducing the number of bugs introduced by flawed data, as to help the researchers to focus on developing more sophisticated models. On the other side, the shortage of integrated development systems for this kind of pipelines is envisaged, and with special care those using simulated or controlled environments, with the goal of easing the continuous iteration of these pipelines.Thanks to the increasing popularity of drones, the research and development of autonomous capibilities has become easier. However, due to the challenge of integrating multiple technologies, the available software stack to engage this task is restricted. In this thesis, we accent the divergencies among unmanned-aerial-vehicle simulators and propose a platform to allow faster and in-depth prototyping of machine learning algorithms for this drones

nbodykit: an open-source, massively parallel toolkit for large-scale structure

We present nbodykit, an open-source, massively parallel Python toolkit for analyzing large-scale structure (LSS) data. Using Python bindings of the Message Passing Interface (MPI), we provide parallel implementations of many commonly used algorithms in LSS. nbodykit is both an interactive and scalable piece of scientific software, performing well in a supercomputing environment while still taking advantage of the interactive tools provided by the Python ecosystem. Existing functionality includes estimators of the power spectrum, 2 and 3-point correlation functions, a Friends-of-Friends grouping algorithm, mock catalog creation via the halo occupation distribution technique, and approximate N-body simulations via the FastPM scheme. The package also provides a set of distributed data containers, insulated from the algorithms themselves, that enable nbodykit to provide a unified treatment of both simulation and observational data sets. nbodykit can be easily deployed in a high performance computing environment, overcoming some of the traditional difficulties of using Python on supercomputers. We provide performance benchmarks illustrating the scalability of the software. The modular, component-based approach of nbodykit allows researchers to easily build complex applications using its tools. The package is extensively documented at http://nbodykit.readthedocs.io, which also includes an interactive set of example recipes for new users to explore. As open-source software, we hope nbodykit provides a common framework for the community to use and develop in confronting the analysis challenges of future LSS surveys.Comment: 18 pages, 7 figures. Feedback very welcome. Code available at https://github.com/bccp/nbodykit and for documentation, see http://nbodykit.readthedocs.i

BioSimulator.jl: Stochastic simulation in Julia

Biological systems with intertwined feedback loops pose a challenge to mathematical modeling efforts. Moreover, rare events, such as mutation and extinction, complicate system dynamics. Stochastic simulation algorithms are useful in generating time-evolution trajectories for these systems because they can adequately capture the influence of random fluctuations and quantify rare events. We present a simple and flexible package, BioSimulator.jl, for implementing the Gillespie algorithm, $\tau$-leaping, and related stochastic simulation algorithms. The objective of this work is to provide scientists across domains with fast, user-friendly simulation tools. We used the high-performance programming language Julia because of its emphasis on scientific computing. Our software package implements a suite of stochastic simulation algorithms based on Markov chain theory. We provide the ability to (a) diagram Petri Nets describing interactions, (b) plot average trajectories and attached standard deviations of each participating species over time, and (c) generate frequency distributions of each species at a specified time. BioSimulator.jl's interface allows users to build models programmatically within Julia. A model is then passed to the simulate routine to generate simulation data. The built-in tools allow one to visualize results and compute summary statistics. Our examples highlight the broad applicability of our software to systems of varying complexity from ecology, systems biology, chemistry, and genetics. The user-friendly nature of BioSimulator.jl encourages the use of stochastic simulation, minimizes tedious programming efforts, and reduces errors during model specification.Comment: 27 pages, 5 figures, 3 table

Lattice QCD Thermodynamics on the Grid

We describe how we have used simultaneously ${\cal O}(10^3)$ nodes of the EGEE Grid, accumulating ca. 300 CPU-years in 2-3 months, to determine an important property of Quantum Chromodynamics. We explain how Grid resources were exploited efficiently and with ease, using user-level overlay based on Ganga and DIANE tools above standard Grid software stack. Application-specific scheduling and resource selection based on simple but powerful heuristics allowed to improve efficiency of the processing to obtain desired scientific results by a specified deadline. This is also a demonstration of combined use of supercomputers, to calculate the initial state of the QCD system, and Grids, to perform the subsequent massively distributed simulations. The QCD simulation was performed on a $16^3\times 4$ lattice. Keeping the strange quark mass at its physical value, we reduced the masses of the up and down quarks until, under an increase of temperature, the system underwent a second-order phase transition to a quark-gluon plasma. Then we measured the response of this system to an increase in the quark density. We find that the transition is smoothened rather than sharpened. If confirmed on a finer lattice, this finding makes it unlikely for ongoing experimental searches to find a QCD critical point at small chemical potential

Racing to hardware-validated simulation

Processor simulators rely on detailed timing models of the processor pipeline to evaluate performance. The diversity in real-world processor designs mandates building flexible simulators that expose parts of the underlying model to the user in the form of configurable parameters. Consequently, the accuracy of modeling a real processor relies on both the accuracy of the pipeline model itself, and the accuracy of adjusting the configuration parameters according to the modeled processor. Unfortunately, processor vendors publicly disclose only a subset of their design decisions, raising the probability of introducing specification inaccuracies when modeling these processors. Inaccurately tuning model parameters deviates the simulated processor from the actual one. In the worst case, using improper parameters may lead to imbalanced pipeline models compromising the simulation output. Therefore, simulation models should be hardware-validated before using them for performance evaluation. As processors increase in complexity and diversity, validating a simulator model against real hardware becomes increasingly more challenging and time-consuming. In this work, we propose a methodology for validating simulation models against real hardware. We create a framework that relies on micro-benchmarks to collect performance statistics on real hardware, and machine learning-based algorithms to fine-tune the unknown parameters based on the accumulated statistics. We overhaul the Sniper simulator to support the ARM AArch64 instruction-set architecture (ISA), and introduce two new timing models for ARM-based in-order and out-of-order cores. Using our proposed simulator validation framework, we tune the in-order and out-of-order models to match the performance of a real-world implementation of the Cortex-A53 and Cortex-A72 cores with an average error of 7% and 15%, respectively, across a set of SPEC CPU2017 benchmarks