Optimisation of computational fluid dynamics applications on multicore and manycore architectures

This thesis presents a number of optimisations used for mapping the underlying computational patterns of finite volume CFD applications onto the architectural features of modern multicore and manycore processors. Their effectiveness and impact is demonstrated in a block-structured and an unstructured code of representative size to industrial applications and across a variety of processor architectures that make up contemporary high-performance computing systems. The importance of vectorization and the ways through which this can be achieved is demonstrated in both structured and unstructured solvers together with the impact that the underlying data layout can have on performance. The utility of auto-tuning for ensuring performance portability across multiple architectures is demonstrated and used for selecting optimal parameters such as prefetch distances for software prefetching or tile sizes for strip mining/loop tiling. On the manycore architectures, running more than one thread per physical core is found to be crucial for good performance on processors with in-order core designs but not required on out-of-order architectures. For architectures with high-bandwidth memory packages, their exploitation, whether explicitly or implicitly, is shown to be imperative for best performance. The implementation of all of these optimisations led to application speed-ups ranging between 2.7X and 3X on the multicore CPUs and 5.7X to 24X on the manycore processors.Open Acces

HONEI: A collection of libraries for numerical computations targeting multiple processor architectures.

We present HONEI, an open-source collection of libraries offering a hardware oriented approach to numerical calculations. HONEI abstracts the hardware, and applications written on top of HONEI can be executed on a wide range of computer architectures such as CPUs, GPUs and the Cell processor. We demonstrate the flexibility and performance of our approach with two test applications, a Finite Element multigrid solver for the Poisson problem and a robust and fast simulation of shallow water waves. By linking against HONEI's libraries, we achieve a two-fold speedup over straight forward C++ code using HONEI's SSE backend, and additional 3--4 and 4--16 times faster execution on the Cell and a GPU. A second important aspect of our approach is that the full performance capabilities of the hardware under consideration can be exploited by adding optimised application-specific operations to the HONEI libraries. HONEI provides all necessary infrastructure for development and evaluation of such kernels, significantly simplifying their development

Multilayered abstractions for partial differential equations

How do we build maintainable, robust, and performance-portable scientific applications? This thesis argues that the answer to this software engineering question in the context of the finite element method is through the use of layers of Domain-Specific Languages (DSLs) to separate the various concerns in the engineering of such codes. Performance-portable software achieves high performance on multiple diverse hardware platforms without source code changes. We demonstrate that finite element solvers written in a low-level language are not performance-portable, and therefore code must be specialised to the target architecture by a code generation framework. A prototype compiler for finite element variational forms that generates CUDA code is presented, and is used to explore how good performance on many-core platforms in automatically-generated finite element applications can be achieved. The differing code generation requirements for multi- and many-core platforms motivates the design of an additional abstraction, called PyOP2, that enables unstructured mesh applications to be performance-portable. We present a runtime code generation framework comprised of the Unified Form Language (UFL), the FEniCS Form Compiler, and PyOP2. This toolchain separates the succinct expression of a numerical method from the selection and generation of efficient code for local assembly. This is further decoupled from the selection of data formats and algorithms for efficient parallel implementation on a specific target architecture. We establish the successful separation of these concerns by demonstrating the performance-portability of code generated from a single high-level source code written in UFL across sequential C, CUDA, MPI and OpenMP targets. The performance of the generated code exceeds the performance of comparable alternative toolchains on multi-core architectures.Open Acces

Parallel Multiscale Contact Dynamics for Rigid Non-spherical Bodies

The simulation of large numbers of rigid bodies of non-analytical shapes or vastly varying sizes which collide with each other is computationally challenging. The fundamental problem is the identification of all contact points between all particles at every time step. In the Discrete Element Method (DEM), this is particularly difficult for particles of arbitrary geometry that exhibit sharp features (e.g. rock granulates). While most codes avoid non-spherical or non-analytical shapes due to the computational complexity, we introduce an iterative-based contact detection method for triangulated geometries. The new method is an improvement over a naive brute force approach which checks all possible geometric constellations of contact and thus exhibits a lot of execution branching. Our iterative approach has limited branching and high floating point operations per processed byte. It thus is suitable for modern Single Instruction Multiple Data (SIMD) CPU hardware. As only the naive brute force approach is robust and always yields a correct solution, we propose a hybrid solution that combines the best of the two worlds to produce fast and robust contacts. In terms of the DEM workflow, we furthermore propose a multilevel tree-based data structure strategy that holds all particles in the domain on multiple scales in grids. Grids reduce the total computational complexity of the simulation. The data structure is combined with the DEM phases to form a single touch tree-based traversal that identifies both contact points between particle pairs and introduces concurrency to the system during particle comparisons in one multiscale grid sweep. Finally, a reluctant adaptivity variant is introduced which enables us to realise an improved time stepping scheme with larger time steps than standard adaptivity while we still minimise the grid administration overhead. Four different parallelisation strategies that exploit multicore architectures are discussed for the triad of methodological ingredients. Each parallelisation scheme exhibits unique behaviour depending on the grid and particle geometry at hand. The fusion of them into a task-based parallelisation workflow yields promising speedups. Our work shows that new computer architecture can push the boundary of DEM computability but this is only possible if the right data structures and algorithms are chosen

Exploiting data locality in cache-coherent NUMA systems

The end of Dennard scaling has caused a stagnation of the clock frequency in computers.To overcome this issue, in the last two decades vendors have been integrating larger numbers of processing elements in the systems, interconnecting many nodes, including multiple chips in the nodes and increasing the number of cores in each chip. The speed of main memory has not evolved at the same rate as processors, it is much slower and there is a need to provide more total bandwidth to the processors, especially with the increase in the number of cores and chips. Still keeping a shared address space, where all processors can access the whole memory, solutions have come by integrating more memories: by using newer technologies like high-bandwidth memories (HBM) and non-volatile memories (NVM), by giving groups cores (like sockets, for example) faster access to some subset of the DRAM, or by combining many of these solutions. This has caused some heterogeneity in the access speed to main memory, depending on the CPU requesting access to a memory address and the actual physical location of that address, causing non-uniform memory access (NUMA) behaviours. Moreover, many of these systems are cache-coherent (ccNUMA), meaning that changes in the memory done from one CPU must be visible by the other CPUs and transparent for the programmer. These NUMA behaviours reduce the performance of applications and can pose a challenge to the programmers. To tackle this issue, this thesis proposes solutions, at the software and hardware levels, to improve the data locality in NUMA systems and, therefore, the performance of applications in these computer systems. The first contribution shows how considering hardware prefetching simultaneously with thread and data placement in NUMA systems can find configurations with better performance than considering these aspects separately. The performance results combined with performance counters are then used to build a performance model to predict, both offline and online, the best configuration for new applications not in the model. The evaluation is done using two different high performance NUMA systems, and the performance counters collected in one machine are used to predict the best configurations in the other machine. The second contribution builds on the idea that prefetching can have a strong effect in NUMA systems and proposes a NUMA-aware hardware prefetching scheme. This scheme is generic and can be applied to multiple hardware prefetchers with a low hardware cost but giving very good results. The evaluation is done using a cycle-accurate architectural simulator and provides detailed results of the performance, the data transfer reduction and the energy costs. Finally, the third and last contribution consists in scheduling algorithms for task-based programming models. These programming models help improve the programmability of applications in parallel systems and also provide useful information to the underlying runtime system. This information is used to build a task dependency graph (TDG), a directed acyclic graph that models the application where the nodes are sequential pieces of code known as tasks and the edges are the data dependencies between the different tasks. The proposed scheduling algorithms use graph partitioning techniques and provide a scheduling for the tasks in the TDG that minimises the data transfers between the different NUMA regions of the system. The results have been evaluated in real ccNUMA systems with multiple NUMA regions.La fi de la llei de Dennard ha provocat un estancament de la freqüència de rellotge dels computadors. Amb l'objectiu de superar aquest fet, durant les darreres dues dècades els fabricants han integrat més quantitat d'unitats de còmput als sistemes mitjançant la interconnexió de nodes diferents, la inclusió de múltiples xips als nodes i l'increment de nuclis de processador a cada xip. La rapidesa de la memòria principal no ha evolucionat amb el mateix factor que els processadors; és molt més lenta i hi ha la necessitat de proporcionar més ample de banda als processadors, especialment amb l'increment del nombre de nuclis i xips. Tot mantenint un adreçament compartit en el qual tots els processadors poden accedir a la memòria sencera, les solucions han estat al voltant de la integració de més memòries: amb tecnologies modernes com HBM (high-bandwidth memories) i NVM (non-volatile memories), fent que grups de nuclis (com sòcols sencers) tinguin accés més ràpid a una part de la DRAM o amb la combinació de solucions. Això ha provocat una heterogeneïtat en la velocitat d'accés a la memòria principal, en funció del nucli que sol·licita l'accés a una adreça en particular i la seva localització física, fet que provoca uns comportaments no uniformes en l'accés a la memòria (non-uniform memory access, NUMA). A més, sovint tenen memòries cau coherents (cache-coherent NUMA, ccNUMA), que implica que qualsevol canvi fet a la memòria des d'un nucli d'un processador ha de ser visible la resta de manera transparent. Aquests comportaments redueixen el rendiment de les aplicacions i suposen un repte. Per abordar el problema, a la tesi s'hi proposen solucions, a nivell de programari i maquinari, que milloren la localitat de dades als sistemes NUMA i, en conseqüència, el rendiment de les aplicacions en aquests sistemes. La primera contribució mostra que, quan es tenen en compte alhora la precàrrega d'adreces de memòria amb maquinari (hardware prefetching) i les decisions d'ubicació dels fils d'execució i les dades als sistemes NUMA, es poden trobar millors configuracions que quan es condieren per separat. Una combinació dels resultats de rendiment i dels comptadors disponibles al sistema s'utilitza per construir un model de rendiment per fer la predicció, tant per avançat com també en temps d'execució, de la millor configuració per aplicacions que no es troben al model. L'avaluació es du a terme a dos sistemes NUMA d'alt rendiment, i els comptadors mesurats en un sistema s'usen per predir les millors configuracions a l'altre sistema. La segona contribució es basa en la idea que el prefetching pot tenir un efecte considerable als sistemes NUMA i proposa un esquema de precàrrega a nivell de maquinari que té en compte els efectes NUMA. L'esquema és genèric i es pot aplicar als algorismes de precàrrega existents amb un cost de maquinari molt baix però amb molt bons resultats. S'avalua amb un simulador arquitectural acurat a nivell de cicle i proporciona resultats detallats del rendiment, la reducció de les comunicacions de dades i els costos energètics. La tercera i darrera contribució consisteix en algorismes de planificació per models de programació basats en tasques. Aquests simplifiquen la programabilitat de les aplicacions paral·leles i proveeixen informació molt útil al sistema en temps d'execució (runtime system) que en controla el funcionament. Amb aquesta informació es construeix un graf de dependències entre tasques (task dependency graph, TDG), un graf dirigit i acíclic que modela l'aplicació i en el qual els nodes són fragments de codi seqüencial (o tasques) i els arcs són les dependències de dades entre les tasques. Els algorismes de planificació proposats fan servir tècniques de particionat de grafs i proporcionen una planificació de les tasques del TDG que minimitza la comunicació de dades entre les diferents regions NUMA del sistema. Els resultats han estat avaluats en sistemes ccNUMA reals amb múltiples regions NUMA.El final de la ley de Dennard ha provocado un estancamiento de la frecuencia de reloj de los computadores. Con el objetivo de superar este problema, durante las últimas dos décadas los fabricantes han integrado más unidades de cómputo en los sistemas mediante la interconexión de nodos diferentes, la inclusión de múltiples chips en los nodos y el incremento de núcleos de procesador en cada chip. La rapidez de la memoria principal no ha evolucionado con el mismo factor que los procesadores; es mucho más lenta y hay la necesidad de proporcionar más ancho de banda a los procesadores, especialmente con el incremento del número de núcleos y chips. Aun manteniendo un sistema de direccionamiento compartido en el que todos los procesadores pueden acceder al conjunto de la memoria, las soluciones han oscilado alrededor de la integración de más memorias: usando tecnologías modernas como las memorias de alto ancho de banda (highbandwidth memories, HBM) y memorias no volátiles (non-volatile memories, NVM), haciendo que grupos de núcleos (como zócalos completos) tengan acceso más veloz a un subconjunto de la DRAM, o con la combinación de soluciones. Esto ha provocado una heterogeneidad en la velocidad de acceso a la memoria principal, en función del núcleo que solicita el acceso a una dirección de memoria en particular y la ubicación física de esta dirección, lo que provoca unos comportamientos no uniformes en el acceso a la memoria (non-uniform memory access, NUMA). Además, muchos de estos sistemas tienen memorias caché coherentes (cache-coherent NUMA, ccNUMA), lo que implica que cualquier cambio hecho en la memoria desde un núcleo de un procesador debe ser visible por el resto de procesadores de forma transparente para los programadores. Estos comportamientos NUMA reducen el rendimiento de las aplicaciones y pueden suponer un reto para los programadores. Para abordar dicho problema, en esta tesis se proponen soluciones, a nivel de software y hardware, que mejoran la localidad de datos en los sistemas NUMA y, en consecuencia, el rendimiento de las aplicaciones en estos sistemas informáticos. La primera contribución muestra que, cuando se tienen en cuenta a la vez la precarga de direcciones de memoria mediante hardware (o hardware prefetching ) y las decisiones de la ubicación de los hilos de ejecución y los datos en los sistemas NUMA, se pueden hallar mejores configuraciones que cuando se consideran ambos aspectos por separado. Con una combinación de los resultados de rendimiento y de los contadores disponibles en el sistema se construye un modelo de rendimiento, tanto por avanzado como en en tiempo de ejecución, de la mejor configuración para aplicaciones que no están incluidas en el modelo. La evaluación se realiza en dos sistemas NUMA de alto rendimiento, y los contadores medidos en uno de los sistemas se usan para predecir las mejores configuraciones en el otro sistema. La segunda contribución se basa en la idea de que el prefetching puede tener un efecto considerable en los sistemas NUMA y propone un esquema de precarga a nivel hardware que tiene en cuenta los efectos NUMA. Este esquema es genérico y se puede aplicar a diferentes algoritmos de precarga existentes con un coste de hardware muy bajo pero que proporciona muy buenos resultados. Dichos resultados se obtienen y evalúan mediante un simulador arquitectural preciso a nivel de ciclo y proporciona resultados detallados del rendimiento, la reducción de las comunicaciones de datos y los costes energéticos. Finalmente, la tercera y última contribución consiste en algoritmos de planificación para modelos de programación basados en tareas. Estos modelos simplifican la programabilidad de las aplicaciones paralelas y proveen información muy útil al sistema en tiempo de ejecución (runtime system) que controla su funcionamiento. Esta información se utiliza para construir un grafo de dependencias entre tareas (task dependency graph, TDG), un grafo dirigido y acíclico que modela la aplicación y en el ue los nodos son fragmentos de código secuencial, conocidos como tareas, y los arcos son las dependencias de datos entre las distintas tareas. Los algoritmos de planificación que se proponen usan técnicas e particionado de grafos y proporcionan una planificación de las tareas del TDG que minimiza la comunicación de datos entre las distintas regiones NUMA del sistema. Los resultados se han evaluado en sistemas ccNUMA reales con múltiples regiones NUMA.Postprint (published version

Data structure abstraction and parallelisation of multi-material hydrodynamic applications

The aim for High Performance Computing (HPC) is to achieve the best performance for an application, in order to execute it as quickly as possible. This is often achieved through iterative improvements in Central Processing Unit (CPU) technology such as: including more circuitry by shrinking or making processors larger; making the processor run faster by increasing the clock speed; or increasing the amount of parallelism. Recently, there has been increasing diversity in how HPC systems achieve these performance improvements. The use of Graphics Processing Unit (GPU) processors has become more common, and there has been a growing interest in high bandwidth memory. This has lead to a need for performance portable code, so programs may be written once but compiled and ran on a range of differing systems, with minimal impact on the performance. As memory becomes a major focus, so too should the data structure used by an application. Without a well designed data structure, the performance of a program can be affected. However, it is key that this is done in a performance portable way, where the data structure can be altered and optimised without the need for the application to be rewritten. As such, a data structure abstraction library was developed, calledWarwick Data Store (WDS). This library is able to provide objects, which allow for access to data, without the application needing to know the detail of the data structure. The library also provides additional functionality that would otherwise be difficult and time consuming to implement, such as the ability to convert a variable or a collection of variables from one data structure to another. The performance impact of the library is shown to be minimal, especially in larger problem sizes. Because of the flexibility of the library, data structures for specialised cases can be implemented into WDS without impacting the performance of other data structures. The performance of these specialised data structures is also presented as being minimal

Turku Centre for Computer Science – Annual Report 2013

Due to a major reform of organization and responsibilities of TUCS, its role, activities, and even structures have been under reconsideration in 2013. The traditional pillar of collaboration at TUCS, doctoral training, was reorganized due to changes at both universities according to the renewed national system for doctoral education. Computer Science and Engineering and Information Systems Science are now accompanied by Mathematics and Statistics in newly established doctoral programs at both University of Turku and &Aring;bo Akademi University. Moreover, both universities granted sufficient resources to their respective programmes for doctoral training in these fields, so that joint activities at TUCS can continue. The outcome of this reorganization has the potential of proving out to be a success in terms of scientific profile as well as the quality and quantity of scientific and educational results.&nbsp; International activities that have been characteristic to TUCS since its inception continue strong. TUCS&rsquo; participation in European collaboration through EIT ICT Labs Master&rsquo;s and Doctoral School is now more active than ever. The new double degree programs at MSc and PhD level between University of Turku and Fudan University in Shaghai, P.R.China were succesfully set up and are&nbsp; now running for their first year. The joint students will add to the already international athmosphere of the ICT House.&nbsp; The four new thematic reseach programmes set up acccording to the decision by the TUCS Board have now established themselves, and a number of events and other activities saw the light in 2013. The TUCS Distinguished Lecture Series managed to gather a large audience with its several prominent speakers. The development of these and other research centre activities continue, and&nbsp; new practices and structures will be initiated to support the tradition of close academic collaboration.&nbsp; The TUCS&rsquo; slogan Where Academic Tradition Meets the Exciting Future has proven true throughout these changes. Despite of the dark clouds on the national and European economic sky, science and higher education in the field have managed to retain all the key ingredients for success. Indeed, the future of ICT and Mathematics in Turku seems exciting.</p