High-Performance Computing: Dos and Don’ts

Computational fluid dynamics (CFD) is the main field of computational mechanics that has historically benefited from advances in high-performance computing. High-performance computing involves several techniques to make a simulation efficient and fast, such as distributed memory parallelism, shared memory parallelism, vectorization, memory access optimizations, etc. As an introduction, we present the anatomy of supercomputers, with special emphasis on HPC aspects relevant to CFD. Then, we develop some of the HPC concepts and numerical techniques applied to the complete CFD simulation framework: from preprocess (meshing) to postprocess (visualization) through the simulation itself (assembly and iterative solvers)

Evaluating techniques for parallelization tuning in MPI, OmpSs and MPI/OmpSs

Parallel programming is used to partition a computational problem among multiple processing units and to define how they interact (communicate and synchronize) in order to guarantee the correct result. The performance that is achieved when executing the parallel program on a parallel architecture is usually far from the optimal: computation unbalance and excessive interaction among processing units often cause lost cycles, reducing the efficiency of parallel computation. In this thesis we propose techniques oriented to better exploit parallelism in parallel applications, with emphasis in techniques that increase asynchronism. Theoretically, this type of parallelization tuning promises multiple benefits. First, it should mitigate communication and synchronization delays, thus increasing the overall performance. Furthermore, parallelization tuning should expose additional parallelism and therefore increase the scalability of execution. Finally, increased asynchronism would provide higher tolerance to slower networks and external noise. In the first part of this thesis, we study the potential for tuning MPI parallelism. More specifically, we explore automatic techniques to overlap communication and computation. We propose a speculative messaging technique that increases the overlap and requires no changes of the original MPI application. Our technique automatically identifies the application’s MPI activity and reinterprets that activity using optimally placed non-blocking MPI requests. We demonstrate that this overlapping technique increases the asynchronism of MPI messages, maximizing the overlap, and consequently leading to execution speedup and higher tolerance to bandwidth reduction. However, in the case of realistic scientific workloads, we show that the overlapping potential is significantly limited by the pattern by which each MPI process locally operates on MPI messages. In the second part of this thesis, we study the potential for tuning hybrid MPI/OmpSs parallelism. We try to gain a better understanding of the parallelism of hybrid MPI/OmpSs applications in order to evaluate how these applications would execute on future machines and to predict the execution bottlenecks that are likely to emerge. We explore how MPI/OmpSs applications could scale on the parallel machine with hundreds of cores per node. Furthermore, we investigate how this high parallelism within each node would reflect on the network constraints. We especially focus on identifying critical code sections in MPI/OmpSs. We devised a technique that quickly evaluates, for a given MPI/OmpSs application and the selected target machine, which code section should be optimized in order to gain the highest performance benefits. Also, this thesis studies techniques to quickly explore the potential OmpSs parallelism inherent in applications. We provide mechanisms to easily evaluate potential parallelism of any task decomposition. Furthermore, we describe an iterative trialand-error approach to search for a task decomposition that will expose sufficient parallelism for a given target machine. Finally, we explore potential of automating the iterative approach by capturing the programmers’ experience into an expert system that can autonomously lead the search process. Also, throughout the work on this thesis, we designed development tools that can be useful to other researchers in the field. The most advanced of these tools is Tareador – a tool to help porting MPI applications to MPI/OmpSs programming model. Tareador provides a simple interface to propose some decomposition of a code into OmpSs tasks. Tareador dynamically calculates data dependencies among the annotated tasks, and automatically estimates the potential OmpSs parallelization. Furthermore, Tareador gives additional hints on how to complete the process of porting the application to OmpSs. Tareador already proved itself useful, by being included in the academic classes on parallel programming at UPC.La programación paralela consiste en dividir un problema de computación entre múltiples unidades de procesamiento y definir como interactúan (comunicación y sincronización) para garantizar un resultado correcto. El rendimiento de un programa paralelo normalmente está muy lejos de ser óptimo: el desequilibrio de la carga computacional y la excesiva interacción entre las unidades de procesamiento a menudo causa ciclos perdidos, reduciendo la eficiencia de la computación paralela. En esta tesis proponemos técnicas orientadas a explotar mejor el paralelismo en aplicaciones paralelas, poniendo énfasis en técnicas que incrementan el asincronismo. En teoría, estas técnicas prometen múltiples beneficios. Primero, tendrían que mitigar el retraso de la comunicación y la sincronización, y por lo tanto incrementar el rendimiento global. Además, la calibración de la paralelización tendría que exponer un paralelismo adicional, incrementando la escalabilidad de la ejecución. Finalmente, un incremente en el asincronismo proveería una tolerancia mayor a redes de comunicación lentas y ruido externo. En la primera parte de la tesis, estudiamos el potencial para la calibración del paralelismo a través de MPI. En concreto, exploramos técnicas automáticas para solapar la comunicación con la computación. Proponemos una técnica de mensajería especulativa que incrementa el solapamiento y no requiere cambios en la aplicación MPI original. Nuestra técnica identifica automáticamente la actividad MPI de la aplicación y la reinterpreta usando solicitudes MPI no bloqueantes situadas óptimamente. Demostramos que esta técnica maximiza el solapamiento y, en consecuencia, acelera la ejecución y permite una mayor tolerancia a las reducciones de ancho de banda. Aún así, en el caso de cargas de trabajo científico realistas, mostramos que el potencial de solapamiento está significativamente limitado por el patrón según el cual cada proceso MPI opera localmente en el paso de mensajes. En la segunda parte de esta tesis, exploramos el potencial para calibrar el paralelismo híbrido MPI/OmpSs. Intentamos obtener una comprensión mejor del paralelismo de aplicaciones híbridas MPI/OmpSs para evaluar de qué manera se ejecutarían en futuras máquinas. Exploramos como las aplicaciones MPI/OmpSs pueden escalar en una máquina paralela con centenares de núcleos por nodo. Además, investigamos cómo este paralelismo de cada nodo se reflejaría en las restricciones de la red de comunicación. En especia, nos concentramos en identificar secciones críticas de código en MPI/OmpSs. Hemos concebido una técnica que rápidamente evalúa, para una aplicación MPI/OmpSs dada y la máquina objetivo seleccionada, qué sección de código tendría que ser optimizada para obtener la mayor ganancia de rendimiento. También estudiamos técnicas para explorar rápidamente el paralelismo potencial de OmpSs inherente en las aplicaciones. Proporcionamos mecanismos para evaluar fácilmente el paralelismo potencial de cualquier descomposición en tareas. Además, describimos una aproximación iterativa para buscar una descomposición en tareas que mostrará el suficiente paralelismo en la máquina objetivo dada. Para finalizar, exploramos el potencial para automatizar la aproximación iterativa. En el trabajo expuesto en esta tesis hemos diseñado herramientas que pueden ser útiles para otros investigadores de este campo. La más avanzada es Tareador, una herramienta para ayudar a migrar aplicaciones al modelo de programación MPI/OmpSs. Tareador proporciona una interfaz simple para proponer una descomposición del código en tareas OmpSs. Tareador también calcula dinámicamente las dependencias de datos entre las tareas anotadas, y automáticamente estima el potencial de paralelización OmpSs. Por último, Tareador da indicaciones adicionales sobre como completar el proceso de migración a OmpSs. Tareador ya se ha mostrado útil al ser incluido en las clases de programación de la UPC

Leveraging task-parallelism in message-passing dense matrix factorizations using SMPSs

In this paper, we investigate how to exploit task-parallelism during the execution of the Cholesky factorization on clusters of multicore processors with the SMPSs programming model. Our analysis reveals that the major difficulties in adapting the code for this operation in ScaLAPACK to SMPSs lie in algorithmic restrictions and the semantics of the SMPSs programming model, but also that they both can be overcome with a limited programming effort. The experimental results report considerable gains in performance and scalability of the routine parallelized with SMPSs when compared with conventional approaches to execute the original ScaLAPACK implementation in parallel as well as two recent message-passing routines for this operation. In summary, our study opens the door to the possibility of reusing message-passing legacy codes/libraries for linear algebra, by introducing up-to-date techniques like dynamic out-of-order scheduling that significantly upgrade their performance, while avoiding a costly rewrite/reimplementation.This research was supported by Project EU INFRA-2010-1.2.2 \TEXT:Towards EXa op applicaTions". The researcher at BSC-CNS was supported by the HiPEAC-2 Network of Excellence (FP7/ICT 217068), the Spanish Ministry of Education (CICYT TIN2011-23283, TIN2007-60625 and CSD2007- 00050), and the Generalitat de Catalunya (2009-SGR-980). The researcher at CIMNE was partially funded by the UPC postdoctoral grants under the programme \BKC5-Atracció i Fidelització de talent al BKC". The researcher at UJI was supported by project CICYT TIN2008-06570-C04-01 and FEDER. We thank Jesus Labarta, from BSC-CNS, for helpful discussions on SMPSs and his help with the performance analysis of the codes with Paraver. We thank Vladimir Marjanovic, also from BSC-CNS, for his help in the set-up and tuning of the MPI/SMPSs tools on JuRoPa. Finally, we thank Rafael Mayo, from UJI, for his support in the preliminary stages of this work. The authors gratefully acknowledge the computing time granted on the supercomputer JuRoPa at Jülich Supercomputing Centrer.Peer ReviewedPreprin

Scalable Applications on Heterogeneous System Architectures: A Systematic Performance Analysis Framework

The efficient parallel execution of scientific applications is a key challenge in high-performance computing (HPC). With growing parallelism and heterogeneity of compute resources as well as increasingly complex software, performance analysis has become an indispensable tool in the development and optimization of parallel programs. This thesis presents a framework for systematic performance analysis of scalable, heterogeneous applications. Based on event traces, it automatically detects the critical path and inefficiencies that result in waiting or idle time, e.g. due to load imbalances between parallel execution streams. As a prerequisite for the analysis of heterogeneous programs, this thesis specifies inefficiency patterns for computation offloading. Furthermore, an essential contribution was made to the development of tool interfaces for OpenACC and OpenMP, which enable a portable data acquisition and a subsequent analysis for programs with offload directives. At present, these interfaces are already part of the latest OpenACC and OpenMP API specification. The aforementioned work, existing preliminary work, and established analysis methods are combined into a generic analysis process, which can be applied across programming models. Based on the detection of wait or idle states, which can propagate over several levels of parallelism, the analysis identifies wasted computing resources and their root cause as well as the critical-path share for each program region. Thus, it determines the influence of program regions on the load balancing between execution streams and the program runtime. The analysis results include a summary of the detected inefficiency patterns and a program trace, enhanced with information about wait states, their cause, and the critical path. In addition, a ranking, based on the amount of waiting time a program region caused on the critical path, highlights program regions that are relevant for program optimization. The scalability of the proposed performance analysis and its implementation is demonstrated using High-Performance Linpack (HPL), while the analysis results are validated with synthetic programs. A scientific application that uses MPI, OpenMP, and CUDA simultaneously is investigated in order to show the applicability of the analysis

A fast input/output library for high-resolution climate models

We describe the design and implementation of climate fast input/output (CFIO), a fast input/output (I/O) library for high-resolution climate models. CFIO provides a simple method for modelers to overlap the I/O phase with the computing phase automatically, so as to shorten the running time of numerical simulations. To minimize the code modifications required for porting, CFIO provides similar interfaces and features to parallel Network Common Data Form (PnetCDF), which is one of the most widely used I/O libraries in climate models. We deployed CFIO in three high-resolution climate models, including two ocean models (POP and LICOM) and one sea ice model (CICE). The experimental results show that CFIO improves the performance of climate models significantly versus the original serial I/O approach. When running with CFIO at 0.1° resolution with about 1000 CPU cores, we managed to reduce the running time by factors of 7.9, 4.6 and 2.0 for POP, CICE, and LICOM, respectively. We also compared the performance of CFIO against two existing libraries, PnetCDF and parallel I/O (PIO), in different scenarios. For scenarios with both data output and computations, CFIO decreases the I/O overhead compared to PnetCDF and PIO

HPCCP/CAS Workshop Proceedings 1998

This publication is a collection of extended abstracts of presentations given at the HPCCP/CAS (High Performance Computing and Communications Program/Computational Aerosciences Project) Workshop held on August 24-26, 1998, at NASA Ames Research Center, Moffett Field, California. The objective of the Workshop was to bring together the aerospace high performance computing community, consisting of airframe and propulsion companies, independent software vendors, university researchers, and government scientists and engineers. The Workshop was sponsored by the HPCCP Office at NASA Ames Research Center. The Workshop consisted of over 40 presentations, including an overview of NASA's High Performance Computing and Communications Program and the Computational Aerosciences Project; ten sessions of papers representative of the high performance computing research conducted within the Program by the aerospace industry, academia, NASA, and other government laboratories; two panel sessions; and a special presentation by Mr. James Bailey