khmer: Working with Big Data in Bioinformatics

We introduce design and optimization considerations for the 'khmer' package.Comment: Invited chapter for forthcoming book on Performance of Open Source Application

Large scale geostatistics with locally varying anisotropy

Classical geostatistical methods are based on the hypothesis of stationarity, which allows to apply repetitive sampling in different locations of the spatial domain, in order to obtain enough information to infer cumulative distributions. In case of non stationarity, anisotropy is observed in the underlying physical phenomena. This feature manifest itself as preferential directions of continuity in the phenomena, i.e. properties are more continuous in one orientation than in another. In the case of local anisotropy, each location of the domain in study presents different preferential directions of continuity. The locally varying anisotropy (LVA) approach in geostatistics allows to incorporate a field of local anisotropy parameters defined for each domain point. With this additional input, more realistic spatial simulations can be generated, including geological features to the computational model such as folds, veins, faults, among others. Since the seminal article published by Boisvert and Deutsch (2011), to the best of the author's knowledge, no further analysis or public code improvements were developed. This is in part because acceleration and parallelization techniques must be applied to the inner kernels of the baseline LVA codes. Large execution time is needed to generate small-scale domain simulations, making large-scale domain simulations a prohibitive task. The contributions of this thesis are accelerating and parallelizing classical and LVA-based geostatistical simulation methods, particularly sequential simulation, which is one of the most common and computationally intensive methods in the field. This fact was recently remarked by some of the main authors in the field, Gómez-Hernández and Srivastava (2021), which shows the relevance of this work today. Two main parallel algorithms and an optimized version of a kd-tree search implementation are presented, all of them applied to both classical and LVA-based sequential simulation implementations. The first parallel algorithm is related to the parallel simulation of different domain points, after rearranging the order of simulation but preserving the exact results of a single-thread execution. The second parallel algorithm is related to the parallel search of neighbour points in the domain, which will be used to build data dependencies for the parallel simulation of points. The optimized kd-tree search was used in each test case in order to reduce the computational complexity of neighbour search tasks. Its modified implementation reduces the number of branching instructions and introduces specialized code sections to accelerate the execution. The main focus is on multi-core architectures using OpenMP and optimization techniques applied to Fortran and C++ codes. Additionally, acceleration and parallelization techniques were also applied to auxiliary applications, such as shortest path and variogram calculation on hybrid CPU/GPU architectures using Fortran, C++ and CUDA codes. In the last application, an analytical and heuristic model was developed to estimate the optimal workload distribution between CPU and GPU in the hybrid context. The overall results of this work are a set of applications that will allow researchers and practitioners to accelerate dramatically the execution of their experiments and simulations, being sgsim, sisim, sgs-lva and sisim-lva the accelerated codes presented. Final speedup results of 11x and 50x are obtained for non-LVA codes using 16 threads, and 56x and 1822x are obtained for LVA codes using 20 threads. These tools can be combined with other geostatistical tools, in order to improve the existing landscape of open source codes that can be used in practical scenarios.Los métodos geoestadísticos clásicos se basan en la hipótesis de la estacionariedad, que permite aplicar muestreos repetitivos en diferentes lugares del dominio espacial, con el fin de obtener información suficiente para inferir distribuciones acumuladas. En caso de no estacionariedad, se observa anisotropía en los fenómenos físicos subyacentes. Esta característica se manifiesta como direcciones preferenciales de continuidad en los fenómenos, es decir, las propiedades son más continuas en una orientación que en otra. En el caso de la anisotropía local, cada ubicación del dominio en estudio puede presentar diferentes direcciones preferenciales de continuidad. El enfoque de anisotropía localmente variable (LVA) en geoestadística permite incorporar un campo de parámetros de anisotropía locales definidos para cada punto de dominio. Con esta entrada adicional, se pueden generar simulaciones espaciales más realistas, incluyendo características geológicas al modelo computacional como pliegues, vetas, fallas, entre otras. Desde el artículo seminal publicado por Boisvert y Deutsch (2011), según el conocimiento del autor, no se han desarrollado más análisis ni mejoras en el código público. Esto se debe en parte a que se deben aplicar técnicas de aceleración y paralelización a los núcleos internos de los códigos LVA de referencia. Se necesita mucho tiempo de ejecución para generar simulaciones de dominio a pequeña escala, lo que hace que las simulaciones de dominio a gran escala sean una tarea prohibitiva. Las contribuciones de esta tesis consisten en acelerar y paralelizar métodos de simulación geoestadística clásicos y basados en LVA, particularmente la simulación secuencial, que es uno de los métodos más comunes e intensivos en computación en el campo. Este hecho fue señalado recientemente por algunos de los principales autores en el campo, Gómez-Hernández y Srivastava (2021), lo que demuestra la relevancia de este trabajo en la actualidad. Se presentan dos algoritmos paralelos principales y una versión optimizada de una implementación de búsqueda de árbol kd, todos ellos aplicados a implementaciones de simulación secuencial clásicas y basadas en LVA. El primer algoritmo paralelo está relacionado con la simulación paralela de diferentes puntos del dominio, después de reorganizar el orden de simulación pero conservando los resultados exactos de una ejecución de un solo hilo. El segundo algoritmo paralelo está relacionado con la búsqueda paralela de puntos vecinos en el dominio, que se utilizará para resolver dependencias de datos para la simulación paralela de puntos. La búsqueda optimizada de kd-tree se utilizó en cada caso de prueba para reducir la complejidad computacional de las tareas de búsqueda de vecinos. Su implementación modificada reduce el número de instrucciones branching e introduce código especializado para acelerar la ejecución. El foco principal está en arquitecturas multi-núcleo usando OpenMP y técnicas de optimización aplicadas a códigos Fortran y C++. Además, también se aplicaron técnicas de aceleración y paralelización a aplicaciones auxiliares, como el cálculo de la ruta más corta en un grafo y el cálculo de variogramas en arquitecturas híbridas CPU/GPU utilizando códigos Fortran, C++ y CUDA. En la última aplicación, se desarrolló un modelo analítico y heurístico para estimar la distribución óptima de la carga de trabajo entre CPU y GPU en el contexto híbrido. Los resultados generales de este trabajo son un conjunto de aplicaciones que permitirán a los investigadores y profesionales acelerar la ejecución de sus experimentos, siendo sgsim, sisim, sgs-lva y sisim-lva los códigos acelerados. Se obtienen resultados finales de aceleración de 11x y 50x para códigos que no son LVA usando 16 hilos, y se obtienen 56x y 1822x para códigos LVA usando 20 hilos. Estas herramientas se pueden combinar con otras herramientas geoestadícasPostprint (published version

Proactive bottleneck performance analysis in parallel computing using openMP

The aim of parallel computing is to increase an application performance by executing the application on multiple processors. OpenMP is an API that supports multi platform shared memory programming model and shared-memory programs are typically executed by multiple threads. The use of multi threading can enhance the performance of application but its excessive use can degrade the performance. This paper describes a novel approach to avoid bottlenecks in application and provide some techniques to improve performance in OpenMP application. This paper analyzes bottleneck performance as bottleneck inhibits performance. Performance of multi threaded applications is limited by a variety of bottlenecks, e.g. critical sections, barriers and so on. This paper provides some tips how to avoid performance bottleneck problems. This paper focuses on how to reduce overheads and overall execution time to get better performance of application.Comment: 8 Pages,6 figur

Using machine learning techniques to evaluate multicore soft error reliability

Virtual platform frameworks have been extended to allow earlier soft error analysis of more realistic multicore systems (i.e., real software stacks, state-of-the-art ISAs). The high observability and simulation performance of underlying frameworks enable to generate and collect more error/failurerelated data, considering complex software stack configurations, in a reasonable time. When dealing with sizeable failure-related data sets obtained from multiple fault campaigns, it is essential to filter out parameters (i.e., features) without a direct relationship with the system soft error analysis. In this regard, this paper proposes the use of supervised and unsupervised machine learning techniques, aiming to eliminate non-relevant information as well as identify the correlation between fault injection results and application and platform characteristics. This novel approach provides engineers with appropriate means that able are able to investigate new and more efficient fault mitigation techniques. The underlying approach is validated with an extensive data set gathered from more than 1.2 million fault injections, comprising several benchmarks, a Linux OS and parallelization libraries (e.g., MPI, OpenMP), as well as through a realistic automotive case study

Performance Optimization Strategies for Transactional Memory Applications

This thesis presents tools for Transactional Memory (TM) applications that cover multiple TM systems (Software, Hardware, and hybrid TM) and use information of all different layers of the TM software stack. Therefore, this thesis addresses a number of challenges to extract static information, information about the run time behavior, and expert-level knowledge to develop these new methods and strategies for the optimization of TM applications