The Future of High Energy Physics Software and Computing

Software and Computing (S&C) are essential to all High Energy Physics (HEP) experiments and many theoretical studies. The size and complexity of S&C are now commensurate with that of experimental instruments, playing a critical role in experimental design, data acquisition/instrumental control, reconstruction, and analysis. Furthermore, S&C often plays a leading role in driving the precision of theoretical calculations and simulations. Within this central role in HEP, S&C has been immensely successful over the last decade. This report looks forward to the next decade and beyond, in the context of the 2021 Particle Physics Community Planning Exercise ("Snowmass") organized by the Division of Particles and Fields (DPF) of the American Physical Society.Comment: Computational Frontier Report Contribution to Snowmass 2021; 41 pages, 1 figure. v2: missing ref and added missing topical group conveners. v3: fixed typo

Simulation of reaction diffusion processes over biologically relevant size and time scales using multi-GPU workstations

AbstractSimulation of in vivo cellular processes with the reaction–diffusion master equation (RDME) is a computationally expensive task. Our previous software enabled simulation of inhomogeneous biochemical systems for small bacteria over long time scales using the MPD-RDME method on a single GPU. Simulations of larger eukaryotic systems exceed the on-board memory capacity of individual GPUs, and long time simulations of modest-sized cells such as yeast are impractical on a single GPU. We present a new multi-GPU parallel implementation of the MPD-RDME method based on a spatial decomposition approach that supports dynamic load balancing for workstations containing GPUs of varying performance and memory capacity. We take advantage of high-performance features of CUDA for peer-to-peer GPU memory transfers and evaluate the performance of our algorithms on state-of-the-art GPU devices. We present parallel efficiency and performance results for simulations using multiple GPUs as system size, particle counts, and number of reactions grow. We also demonstrate multi-GPU performance in simulations of the Min protein system in E. coli. Moreover, our multi-GPU decomposition and load balancing approach can be generalized to other lattice-based problems

Interactive Visual Analytics for Large-scale Particle Simulations

Particle based model simulations are widely used in scientific visualization. In cosmology, particles are used to simulate the evolution of dark matter in the universe. Clusters of particles (that have special statistical properties) are called halos. From a visualization point of view, halos are clusters of particles, each having a position, mass and velocity in three dimensional space, and they can be represented as point clouds that contain various structures of geometric interest such as filaments, membranes, satellite of points, clusters, and cluster of clusters. The thesis investigates methods for interacting with large scale data-sets represented as point clouds. The work mostly aims at the interactive visualization of cosmological simulation based on large particle systems. The study consists of three components: a) two human factors experiments into the perceptual factors that make it possible to see features in point clouds; b) the design and implementation of a user interface making it possible to rapidly navigate through and visualize features in the point cloud, c) software development and integration to support visualization

An aesthetics of touch: investigating the language of design relating to form

How well can designers communicate qualities of touch? This paper presents evidence that they have some capability to do so, much of which appears to have been learned, but at present make limited use of such language. Interviews with graduate designer-makers suggest that they are aware of and value the importance of touch and materiality in their work, but lack a vocabulary to fully relate to their detailed explanations of other aspects such as their intent or selection of materials. We believe that more attention should be paid to the verbal dialogue that happens in the design process, particularly as other researchers show that even making-based learning also has a strong verbal element to it. However, verbal language alone does not appear to be adequate for a comprehensive language of touch. Graduate designers-makers’ descriptive practices combined non-verbal manipulation within verbal accounts. We thus argue that haptic vocabularies do not simply describe material qualities, but rather are situated competences that physically demonstrate the presence of haptic qualities. Such competencies are more important than groups of verbal vocabularies in isolation. Design support for developing and extending haptic competences must take this wide range of considerations into account to comprehensively improve designers’ capabilities

Crowd simulation and visualization

Large-scale simulation and visualization are essential topics in areas as different as sociology, physics, urbanism, training, entertainment among others. This kind of systems requires a vast computational power and memory resources commonly available in High Performance Computing HPC platforms. Currently, the most potent clusters have heterogeneous architectures with hundreds of thousands and even millions of cores. The industry trends inferred that exascale clusters would have thousands of millions. The technical challenges for simulation and visualization process in the exascale era are intertwined with difficulties in other areas of research, including storage, communication, programming models and hardware. For this reason, it is necessary prototyping, testing, and deployment a variety of approaches to address the technical challenges identified and evaluate the advantages and disadvantages of each proposed solution. The focus of this research is interactive large-scale crowd simulation and visualization. To exploit to the maximum the capacity of the current HPC infrastructure and be prepared to take advantage of the next generation. The project develops a new approach to scale crowd simulation and visualization on heterogeneous computing cluster using a task-based technique. Its main characteristic is hardware agnostic. It abstracts the difficulties that imply the use of heterogeneous architectures like memory management, scheduling, communications, and synchronization — facilitating development, maintenance, and scalability. With the goal of flexibility and take advantage of computing resources as best as possible, the project explores different configurations to connect the simulation with the visualization engine. This kind of system has an essential use in emergencies. Therefore, urban scenes were implemented as realistic as possible; in this way, users will be ready to face real events. Path planning for large-scale crowds is a challenge to solve, due to the inherent dynamism in the scenes and vast search space. A new path-finding algorithm was developed. It has a hierarchical approach which offers different advantages: it divides the search space reducing the problem complexity, it can obtain a partial path instead of wait for the complete one, which allows a character to start moving and compute the rest asynchronously. It can reprocess only a part if necessary with different levels of abstraction. A case study is presented for a crowd simulation in urban scenarios. Geolocated data are used, they were produced by mobile devices to predict individual and crowd behavior and detect abnormal situations in the presence of specific events. It was also address the challenge of combining all these individual’s location with a 3D rendering of the urban environment. The data processing and simulation approach are computationally expensive and time-critical, it relies thus on a hybrid Cloud-HPC architecture to produce an efficient solution. Within the project, new models of behavior based on data analytics were developed. It was developed the infrastructure to be able to consult various data sources such as social networks, government agencies or transport companies such as Uber. Every time there is more geolocation data available and better computation resources which allow performing analysis of greater depth, this lays the foundations to improve the simulation models of current crowds. The use of simulations and their visualization allows to observe and organize the crowds in real time. The analysis before, during and after daily mass events can reduce the risks and associated logistics costs.La simulación y visualización a gran escala son temas esenciales en áreas tan diferentes como la sociología, la física, el urbanismo, la capacitación, el entretenimiento, entre otros. Este tipo de sistemas requiere una gran capacidad de cómputo y recursos de memoria comúnmente disponibles en las plataformas de computo de alto rendimiento. Actualmente, los equipos más potentes tienen arquitecturas heterogéneas con cientos de miles e incluso millones de núcleos. Las tendencias de la industria infieren que los equipos en la era exascale tendran miles de millones. Los desafíos técnicos en el proceso de simulación y visualización en la era exascale se entrelazan con dificultades en otras áreas de investigación, incluidos almacenamiento, comunicación, modelos de programación y hardware. Por esta razón, es necesario crear prototipos, probar y desplegar una variedad de enfoques para abordar los desafíos técnicos identificados y evaluar las ventajas y desventajas de cada solución propuesta. El foco de esta investigación es la visualización y simulación interactiva de multitudes a gran escala. Aprovechar al máximo la capacidad de la infraestructura actual y estar preparado para aprovechar la próxima generación. El proyecto desarrolla un nuevo enfoque para escalar la simulación y visualización de multitudes en un clúster de computo heterogéneo utilizando una técnica basada en tareas. Su principal característica es que es hardware agnóstico. Abstrae las dificultades que implican el uso de arquitecturas heterogéneas como la administración de memoria, las comunicaciones y la sincronización, lo que facilita el desarrollo, el mantenimiento y la escalabilidad. Con el objetivo de flexibilizar y aprovechar los recursos informáticos lo mejor posible, el proyecto explora diferentes configuraciones para conectar la simulación con el motor de visualización. Este tipo de sistemas tienen un uso esencial en emergencias. Por lo tanto, se implementaron escenas urbanas lo más realistas posible, de esta manera los usuarios estarán listos para enfrentar eventos reales. La planificación de caminos para multitudes a gran escala es un desafío a resolver, debido al dinamismo inherente en las escenas y el vasto espacio de búsqueda. Se desarrolló un nuevo algoritmo de búsqueda de caminos. Tiene un enfoque jerárquico que ofrece diferentes ventajas: divide el espacio de búsqueda reduciendo la complejidad del problema, puede obtener una ruta parcial en lugar de esperar a la completa, lo que permite que un personaje comience a moverse y calcule el resto de forma asíncrona, puede reprocesar solo una parte si es necesario con diferentes niveles de abstracción. Se presenta un caso de estudio para una simulación de multitud en escenarios urbanos. Se utilizan datos geolocalizados producidos por dispositivos móviles para predecir el comportamiento individual y público y detectar situaciones anormales en presencia de eventos específicos. También se aborda el desafío de combinar la ubicación de todos estos individuos con una representación 3D del entorno urbano. Dentro del proyecto, se desarrollaron nuevos modelos de comportamiento basados ¿¿en el análisis de datos. Se creo la infraestructura para poder consultar varias fuentes de datos como redes sociales, agencias gubernamentales o empresas de transporte como Uber. Cada vez hay más datos de geolocalización disponibles y mejores recursos de cómputo que permiten realizar un análisis de mayor profundidad, esto sienta las bases para mejorar los modelos de simulación de las multitudes actuales. El uso de simulaciones y su visualización permite observar y organizar las multitudes en tiempo real. El análisis antes, durante y después de eventos multitudinarios diarios puede reducir los riesgos y los costos logísticos asociadosPostprint (published version

High performance simulation and modelling of wireless vehicular ad hoc networks

Vehicular communications occur when two or more vehicles come into range of one another, to share data over wireless media. The applications of this communication are far-reaching, from toll collection to collision avoidance. Due to the proliferation of wireless devices and their ubiquitous nature it is now possible to operate in an ad hoc manner between transmitting stations. Vehicular ad hoc networks (VANET) are a special kind of network, that experience short link times and high levels of interference, but have the ability to present many driver information and safety solutions for the worlds roads. Computer simulation of VANET enables rapid-prototyping and intensive exploration of systems and protocol, using highly complex and computationally expensive models and programs. Experimentation with real vehicles would be time consuming and expensive, limiting the range of study that could be achieved and therefore reducing the accuracy of analytical solutions exposed through experimentation. An extensive corpus of work on networking, traffic modelling and parallel processing algorithm has been reviewed as part of this thesis, to isolate the current state-of-the-art and examine areas for novel research. In this thesis the value and importance of computer simulation for VANET is proposed, which explores the applications of a high-fidelity system when applied to real-world scenarios. The work is grounded on two main contributions: 1) that by using intervehicle communication and an advanced lane changing/merging algorithm the congestion that builds up around an obstruction on a highway can be alleviated and reduced more effectively than simple line-of-sight, even when only a proportion of the vehicles are radio equipped. 2) that the available parameter space, as large as it is, can be efficiently explored using a parallel algorithm with the NS-3 network simulation system. The large-scale simulation of VANET in highway scenarios can be used to discover universal trends and behaviours in the successful and timely delivery of data packets. The application of VANET research has a broad scope for use in modern vehicles and the optimisation of the transmission of data is highly relevant; a large number of parameters can be tuned in a networking device, but knowing which to tune and by how much is paramount to the operation of intelligent transport systems