A domain-specific language and matrix-free stencil code for investigating electronic properties of Dirac and topological materials

We introduce PVSC-DTM (Parallel Vectorized Stencil Code for Dirac and Topological Materials), a library and code generator based on a domain-specific language tailored to implement the specific stencil-like algorithms that can describe Dirac and topological materials such as graphene and topological insulators in a matrix-free way. The generated hybrid-parallel (MPI+OpenMP) code is fully vectorized using Single Instruction Multiple Data (SIMD) extensions. It is significantly faster than matrix-based approaches on the node level and performs in accordance with the roofline model. We demonstrate the chip-level performance and distributed-memory scalability of basic building blocks such as sparse matrix-(multiple-) vector multiplication on modern multicore CPUs. As an application example, we use the PVSC-DTM scheme to (i) explore the scattering of a Dirac wave on an array of gate-defined quantum dots, to (ii) calculate a bunch of interior eigenvalues for strong topological insulators, and to (iii) discuss the photoemission spectra of a disordered Weyl semimetal.Comment: 16 pages, 2 tables, 11 figure

Classification algorithms on the cell processor

The rapid advancement in the capacity and reliability of data storage technology has allowed for the retention of virtually limitless quantity and detail of digital information. Massive information databases are becoming more and more widespread among governmental, educational, scientific, and commercial organizations. By segregating this data into carefully defined input (e.g.: images) and output (e.g.: classification labels) sets, a classification algorithm can be used develop an internal expert model of the data by employing a specialized training algorithm. A properly trained classifier is capable of predicting the output for future input data from the same input domain that it was trained on. Two popular classifiers are Neural Networks and Support Vector Machines. Both, as with most accurate classifiers, require massive computational resources to carry out the training step and can take months to complete when dealing with extremely large data sets. In most cases, utilizing larger training improves the final accuracy of the trained classifier. However, access to the kinds of computational resources required to do so is expensive and out of reach of private or under funded institutions. The Cell Broadband Engine (CBE), introduced by Sony, Toshiba, and IBM has recently been introduced into the market. The current most inexpensive iteration is available in the Sony Playstation 3 ® computer entertainment system. The CBE is a novel multi-core architecture which features many hardware enhancements designed to accelerate the processing of massive amounts of data. These characteristics and the cheap and widespread availability of this technology make the Cell a prime candidate for the task of training classifiers. In this work, the feasibility of the Cell processor in the use of training Neural Networks and Support Vector Machines was explored. In the Neural Network family of classifiers, the fully connected Multilayer Perceptron and Convolution Network were implemented. In the Support Vector Machine family, a Working Set technique known as the Gradient Projection-based Decomposition Technique, as well as the Cascade SVM were implemented

Parallel cryptanalysis

Most of today’s cryptographic primitives are based on computations that are hard to perform for a potential attacker but easy to perform for somebody who is in possession of some secret information, the key, that opens a back door in these hard computations and allows them to be solved in a small amount of time. To estimate the strength of a cryptographic primitive it is important to know how hard it is to perform the computation without knowledge of the secret back door and to get an understanding of how much money or time the attacker has to spend. Usually a cryptographic primitive allows the cryptographer to choose parameters that make an attack harder at the cost of making the computations using the secret key harder as well. Therefore designing a cryptographic primitive imposes the dilemma of choosing the parameters strong enough to resist an attack up to a certain cost while choosing them small enough to allow usage of the primitive in the real world, e.g. on small computing devices like smart phones. This thesis investigates three different attacks on particular cryptographic systems: Wagner’s generalized birthday attack is applied to the compression function of the hash function FSB. Pollard’s rho algorithm is used for attacking Certicom’s ECC Challenge ECC2K-130. The implementation of the XL algorithm has not been specialized for an attack on a specific cryptographic primitive but can be used for attacking some cryptographic primitives by solving multivariate quadratic systems. All three attacks are general attacks, i.e. they apply to various cryptographic systems; the implementations of Wagner’s generalized birthday attack and Pollard’s rho algorithm can be adapted for attacking other primitives than those given in this thesis. The three attacks have been implemented on different parallel architectures. XL has been parallelized using the Block Wiedemann algorithm on a NUMA system using OpenMP and on an Infiniband cluster using MPI. Wagner’s attack was performed on a distributed system of 8 multi-core nodes connected by an Ethernet network. The work on Pollard’s Rho algorithm is part of a large research collaboration with several research groups; the computations are embarrassingly parallel and are executed in a distributed fashion in several facilities with almost negligible communication cost. This dissertation presents implementations of the iteration function of Pollard’s Rho algorithm on Graphics Processing Units and on the Cell Broadband Engine

Parallelisation of greedy algorithms for compressive sensing reconstruction

Compressive Sensing (CS) is a technique which allows a signal to be compressed at the same time as it is captured. The process of capturing and simultaneously compressing the signal is represented as linear sampling, which can encompass a variety of physical processes or signal processing. Instead of explicitly identifying redundancies in the source signal, CS relies on the property of sparsity in order to reconstruct the compressed signal. While linear sampling is much less burdensome than conventional compression, this is more than made up for by the high computational cost of reconstructing a signal which has been captured using CS. Even when using some of the fastest reconstruction techniques, known as greedy pursuits, reconstruction of large problems can pose a significant burden, consuming a great deal of memory as well as compute time. Parallel computing is the foundation of the field of High Performance Computing (HPC). Modern supercomputers are generally composed of large clusters of standard servers, with a dedicated low-latency high-bandwidth interconnect network. On such a cluster, an appropriately written program can harness vast quantities of memory and computational power. However, in order to exploit a parallel compute resource, an algorithm usually has to be redesigned from the ground up. In this thesis I describe the development of parallel variants of two algorithms commonly used in CS reconstruction, Matching Pursuit (MP) and Orthogonal Matching Pursuit (OMP), resulting in the new distributed compute algorithms DistMP and DistOMP. I present the results from experiments showing how DistMP and DistOMP can utilise a compute cluster to solve CS problems much more quickly than a single computer could alone. Speed-up of as much as a factor of 76 is observed with DistMP when utilising 210 workers across 14 servers, compared to a single worker. Finally, I demonstrate how DistOMP can solve a problem with a 429GB equivalent sampling matrix in as little as 62 minutes using a 16-node compute cluster.Funded by an ICASE award from the Engineering and Physical Sciences Research Council, with sponsorship provided by Thales Research and Technology

Communication reduction techniques in numerical methods and deep neural networks

Inter-node communication has turned out to be one of the determining factors of the performance on modern HPC systems. Furthermore, the situation only gets worse with the ever-incresing size of the cores involved. Hence, this thesis explore the various possible techniques to reduce the communication during the execution of a parallel program. It turned out that there is no one-size-fit-all approach to the challenge. Despite this, the problems in each field, due to their unique characteristics, dispose of distinct opportunities for the communication reduction. The thesis, first devles into numerical linear algebra, develops an evolution of the Pipelined CG called IFCG. It eliminates the synchronizations normally take place towards the end of each iteration to increase the parallelism. Secondly, the thesis draws its attention on reducing the necessity to transfer the parameters between the CPU host and GPUs during a neural network training. It develops two routines: ADT and AWP in order to compress and decompress the weights with a reduced data representation format prior and right after the data transfer takes place. The compress rate is adjusted vis-à-vis the L2-norm of the weights of every layer. In the third contribution, the thesis diminish the communication in model parallelizing a deep neural network. Instead of splitting and distributing the neurons of each layer to the available processes on the system, now it is done every other layers. This results in a 50% percent reduction of the communication whereas it introduces 50% of extra local FP computation.La comunicació entre els nodes de computació multi-core sorgeix com un dels factors principals que impacta el rendiment d’un sistema HPC d’avui en dia. I més, mentre més core es pusa, pitjor la situació. Per tant aquesta tesi explora les possibles tècniques per a reduir la comunicació en l’execució d’un programa paral·lel. Tot i això, resulta que no existeix una sola tècnica que pugui resoldre aquest obstacle. Tot i que els problemes en cada àmbit, com que té els seus propis caracristics, disposa variosos oportunitats per la reducció de comunicació. La tesi, en primer lloc, dins de l’àmbit de l’àlgebra lineal numèriques desenvolupa un algoritme IFCG que és una evolució de Pipelined CG. IFCG elimina les sincronitzacions normalment posa cap al final de cada iteració per augmentar el paral·lelisme. En la segona contribució, la tesi dirigeix l’atenció a reduir la necessitat de transferir els paràmetres entre el CPU i els GPUs durant l’entrenament d’una xarxa neuronal. Desenvolupa rutines ADT i AWP per comprimir i descomprimir els pesos amb una representació de dades reduïda abans i just desprès de la transferència. La representació es decideix dinàmicament segons el L2-norm dels pesos a cada capa. Al final la tesi disminueix la comunicació en paral·lelitzar el model duna xarxa neurona. En lloc de distribuir les neurones de cada capa als processos disponibles en el sistema, es fa cada dues capes. Així que corta com mitja de la comunicació. En canvi, com que distribueix només cada dues capes, les capes restes es repliquen, resulta que incorre en una augmenta de 50% de computació local.Postprint (published version

Communication reduction techniques in numerical methods and deep neural networks

Inter-node communication has turned out to be one of the determining factors of the performance on modern HPC systems. Furthermore, the situation only gets worse with the ever-incresing size of the cores involved. Hence, this thesis explore the various possible techniques to reduce the communication during the execution of a parallel program. It turned out that there is no one-size-fit-all approach to the challenge. Despite this, the problems in each field, due to their unique characteristics, dispose of distinct opportunities for the communication reduction. The thesis, first devles into numerical linear algebra, develops an evolution of the Pipelined CG called IFCG. It eliminates the synchronizations normally take place towards the end of each iteration to increase the parallelism. Secondly, the thesis draws its attention on reducing the necessity to transfer the parameters between the CPU host and GPUs during a neural network training. It develops two routines: ADT and AWP in order to compress and decompress the weights with a reduced data representation format prior and right after the data transfer takes place. The compress rate is adjusted vis-à-vis the L2-norm of the weights of every layer. In the third contribution, the thesis diminish the communication in model parallelizing a deep neural network. Instead of splitting and distributing the neurons of each layer to the available processes on the system, now it is done every other layers. This results in a 50% percent reduction of the communication whereas it introduces 50% of extra local FP computation.La comunicació entre els nodes de computació multi-core sorgeix com un dels factors principals que impacta el rendiment d’un sistema HPC d’avui en dia. I més, mentre més core es pusa, pitjor la situació. Per tant aquesta tesi explora les possibles tècniques per a reduir la comunicació en l’execució d’un programa paral·lel. Tot i això, resulta que no existeix una sola tècnica que pugui resoldre aquest obstacle. Tot i que els problemes en cada àmbit, com que té els seus propis caracristics, disposa variosos oportunitats per la reducció de comunicació. La tesi, en primer lloc, dins de l’àmbit de l’àlgebra lineal numèriques desenvolupa un algoritme IFCG que és una evolució de Pipelined CG. IFCG elimina les sincronitzacions normalment posa cap al final de cada iteració per augmentar el paral·lelisme. En la segona contribució, la tesi dirigeix l’atenció a reduir la necessitat de transferir els paràmetres entre el CPU i els GPUs durant l’entrenament d’una xarxa neuronal. Desenvolupa rutines ADT i AWP per comprimir i descomprimir els pesos amb una representació de dades reduïda abans i just desprès de la transferència. La representació es decideix dinàmicament segons el L2-norm dels pesos a cada capa. Al final la tesi disminueix la comunicació en paral·lelitzar el model duna xarxa neurona. En lloc de distribuir les neurones de cada capa als processos disponibles en el sistema, es fa cada dues capes. Així que corta com mitja de la comunicació. En canvi, com que distribueix només cada dues capes, les capes restes es repliquen, resulta que incorre en una augmenta de 50% de computació local

Sparse matrix-vector multiplication on GPGPUs

The multiplication of a sparse matrix by a dense vector (SpMV) is a centerpiece of scientific computing applications: it is the essential kernel for the solution of sparse linear systems and sparse eigenvalue problems by iterative methods. The efficient implementation of the sparse matrix-vector multiplication is therefore crucial and has been the subject of an immense amount of research, with interest renewed with every major new trend in high performance computing architectures. The introduction of General Purpose Graphics Processing Units (GPGPUs) is no exception, and many articles have been devoted to this problem. With this paper we provide a review of the techniques for implementing the SpMV kernel on GPGPUs that have appeared in the literature of the last few years. We discuss the issues and trade-offs that have been encountered by the various researchers, and a list of solutions, organized in categories according to common features. We also provide a performance comparison across different GPGPU models and on a set of test matrices coming from various application domains

Parallel solution of power system linear equations

At the heart of many power system computations lies the solution of a large sparse set of linear equations. These equations arise from the modelling of the network and are the cause of a computational bottleneck in power system analysis applications. Efficient sequential techniques have been developed to solve these equations but the solution is still too slow for applications such as real-time dynamic simulation and on-line security analysis. Parallel computing techniques have been explored in the attempt to find faster solutions but the methods developed to date have not efficiently exploited the full power of parallel processing. This thesis considers the solution of the linear network equations encountered in power system computations. Based on the insight provided by the elimination tree, it is proposed that a novel matrix structure is adopted to allow the exploitation of parallelism which exists within the cutset of a typical parallel solution. Using this matrix structure it is possible to reduce the size of the sequential part of the problem and to increase the speed and efficiency of typical LU-based parallel solution. A method for transforming the admittance matrix into the required form is presented along with network partitioning and load balancing techniques. Sequential solution techniques are considered and existing parallel methods are surveyed to determine their strengths and weaknesses. Combining the benefits of existing solutions with the new matrix structure allows an improved LU-based parallel solution to be derived. A simulation of the improved LU solution is used to show the improvements in performance over a standard LU-based solution that result from the adoption of the new techniques. The results of a multiprocessor implementation of the method are presented and the new method is shown to have a better performance than existing methods for distributed memory multiprocessors